make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0338' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0338.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/T0338.} ;\ 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/T0338/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2ivxA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182613599 # 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= 5.686 sec, elapsed time= 5.726 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= 5.757 sec, elapsed time= 5.806 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0338 numbered 1 through 256 Created new target T0338 from T0338.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2ivxA expands to /projects/compbio/data/pdb/2ivx.pdb.gz 2ivxA:Skipped atom 194, because occupancy 0.5 <= existing 0.500 in 2ivxA Skipped atom 195, because occupancy 0.500 <= existing 0.500 in 2ivxA Skipped atom 196, because occupancy 0.500 <= existing 0.500 in 2ivxA Skipped atom 197, because occupancy 0.500 <= existing 0.500 in 2ivxA Skipped atom 198, because occupancy 0.500 <= existing 0.500 in 2ivxA Skipped atom 615, because occupancy 0.400 <= existing 0.600 in 2ivxA Skipped atom 616, because occupancy 0.400 <= existing 0.600 in 2ivxA Skipped atom 617, because occupancy 0.400 <= existing 0.600 in 2ivxA Skipped atom 618, because occupancy 0.400 <= existing 0.600 in 2ivxA Skipped atom 619, because occupancy 0.400 <= existing 0.600 in 2ivxA Skipped atom 1290, because occupancy 0.500 <= existing 0.500 in 2ivxA Skipped atom 1291, because occupancy 0.500 <= existing 0.500 in 2ivxA Skipped atom 1292, because occupancy 0.500 <= existing 0.500 in 2ivxA Skipped atom 1293, because occupancy 0.500 <= existing 0.500 in 2ivxA Skipped atom 1294, because occupancy 0.500 <= existing 0.500 in 2ivxA Skipped atom 2054, because occupancy 0.300 <= existing 0.700 in 2ivxA Skipped atom 2055, because occupancy 0.300 <= existing 0.700 in 2ivxA Skipped atom 2056, because occupancy 0.300 <= existing 0.700 in 2ivxA Skipped atom 2057, because occupancy 0.300 <= existing 0.700 in 2ivxA Skipped atom 2058, because occupancy 0.300 <= existing 0.700 in 2ivxA Skipped atom 2059, because occupancy 0.300 <= existing 0.700 in 2ivxA Read 256 residues and 2043 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0338 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= 10.182 sec, elapsed time= 10.339 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 254 # 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 = -44.531 # GDT_score(maxd=8.000,maxw=2.900)= -44.749 # GDT_score(maxd=8.000,maxw=3.200)= -42.117 # GDT_score(maxd=8.000,maxw=3.500)= -39.804 # GDT_score(maxd=10.000,maxw=3.800)= -43.436 # GDT_score(maxd=10.000,maxw=4.000)= -41.953 # GDT_score(maxd=10.000,maxw=4.200)= -40.569 # GDT_score(maxd=12.000,maxw=4.300)= -44.358 # GDT_score(maxd=12.000,maxw=4.500)= -42.953 # GDT_score(maxd=12.000,maxw=4.700)= -41.609 # GDT_score(maxd=14.000,maxw=5.200)= -42.012 # GDT_score(maxd=14.000,maxw=5.500)= -40.185 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0338.model1-real.pdb for output Error: Couldn't open file T0338.model1-real.pdb for output superimposing iter= 0 total_weight= 3067.000 rmsd (weighted)= 8.600 (unweighted)= 15.765 superimposing iter= 1 total_weight= 6577.465 rmsd (weighted)= 4.213 (unweighted)= 15.959 superimposing iter= 2 total_weight= 3715.940 rmsd (weighted)= 3.049 (unweighted)= 16.030 superimposing iter= 3 total_weight= 2452.047 rmsd (weighted)= 2.753 (unweighted)= 16.062 superimposing iter= 4 total_weight= 2188.643 rmsd (weighted)= 2.637 (unweighted)= 16.086 superimposing iter= 5 total_weight= 2151.900 rmsd (weighted)= 2.549 (unweighted)= 16.112 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N ALA A 1 -38.042 8.371 58.389 1.00 0.00 ATOM 2 CA ALA A 1 -37.618 8.744 57.017 1.00 0.00 ATOM 3 CB ALA A 1 -38.682 9.308 56.082 1.00 0.00 ATOM 4 O ALA A 1 -35.372 9.322 56.382 1.00 0.00 ATOM 5 C ALA A 1 -36.402 9.665 56.956 1.00 0.00 ATOM 6 N SER A 2 -36.476 10.659 57.823 1.00 0.00 ATOM 7 CA SER A 2 -35.451 11.713 57.860 1.00 0.00 ATOM 8 CB SER A 2 -35.961 12.909 58.640 1.00 0.00 ATOM 9 OG SER A 2 -37.047 13.528 58.006 1.00 0.00 ATOM 10 O SER A 2 -33.100 11.405 57.878 1.00 0.00 ATOM 11 C SER A 2 -34.150 11.207 58.465 1.00 0.00 ATOM 12 N SER A 3 -34.284 10.385 59.513 1.00 0.00 ATOM 13 CA SER A 3 -33.111 9.766 60.172 1.00 0.00 ATOM 14 CB SER A 3 -33.519 8.891 61.357 1.00 0.00 ATOM 15 OG SER A 3 -32.387 8.171 61.803 1.00 0.00 ATOM 16 O SER A 3 -31.141 9.021 58.992 1.00 0.00 ATOM 17 C SER A 3 -32.346 8.894 59.171 1.00 0.00 ATOM 18 N ARG A 4 -33.109 8.061 58.481 1.00 0.00 ATOM 19 CA ARG A 4 -32.539 7.200 57.433 1.00 0.00 ATOM 20 CB ARG A 4 -33.580 6.272 56.825 1.00 0.00 ATOM 21 CG ARG A 4 -34.031 5.137 57.730 1.00 0.00 ATOM 22 CD ARG A 4 -34.830 4.087 57.047 1.00 0.00 ATOM 23 NE ARG A 4 -36.106 4.545 56.523 1.00 0.00 ATOM 24 CZ ARG A 4 -37.252 4.583 57.229 1.00 0.00 ATOM 25 NH1 ARG A 4 -37.298 4.156 58.471 1.00 0.00 ATOM 26 NH2 ARG A 4 -38.340 5.037 56.630 1.00 0.00 ATOM 27 O ARG A 4 -30.753 7.610 55.903 1.00 0.00 ATOM 28 C ARG A 4 -31.827 8.013 56.346 1.00 0.00 ATOM 29 N TRP A 5 -32.498 9.060 55.884 1.00 0.00 ATOM 30 CA TRP A 5 -31.930 9.961 54.860 1.00 0.00 ATOM 31 CB TRP A 5 -32.925 11.051 54.466 1.00 0.00 ATOM 32 CG TRP A 5 -34.130 10.509 53.680 1.00 0.00 ATOM 33 CD1 TRP A 5 -34.260 9.289 53.153 1.00 0.00 ATOM 34 CD2 TRP A 5 -35.295 11.193 53.388 1.00 0.00 ATOM 35 CE2 TRP A 5 -36.102 10.339 52.667 1.00 0.00 ATOM 36 CE3 TRP A 5 -35.740 12.462 53.683 1.00 0.00 ATOM 37 NE1 TRP A 5 -35.445 9.188 52.569 1.00 0.00 ATOM 38 CZ2 TRP A 5 -37.338 10.781 52.218 1.00 0.00 ATOM 39 CZ3 TRP A 5 -36.974 12.913 53.237 1.00 0.00 ATOM 40 CH2 TRP A 5 -37.782 12.064 52.503 1.00 0.00 ATOM 41 O TRP A 5 -29.631 10.487 54.605 1.00 0.00 ATOM 42 C TRP A 5 -30.620 10.600 55.318 1.00 0.00 ATOM 43 N PHE A 6 -30.620 11.099 56.549 1.00 0.00 ATOM 44 CA PHE A 6 -29.443 11.705 57.178 1.00 0.00 ATOM 45 CB PHE A 6 -29.805 12.273 58.552 1.00 0.00 ATOM 46 CG PHE A 6 -30.863 13.338 58.509 1.00 0.00 ATOM 47 CD1 PHE A 6 -31.197 13.955 57.311 1.00 0.00 ATOM 48 CD2 PHE A 6 -31.526 13.726 59.662 1.00 0.00 ATOM 49 CE1 PHE A 6 -32.170 14.935 57.269 1.00 0.00 ATOM 50 CE2 PHE A 6 -32.500 14.704 59.624 1.00 0.00 ATOM 51 CZ PHE A 6 -32.822 15.310 58.425 1.00 0.00 ATOM 52 O PHE A 6 -27.143 11.015 56.885 1.00 0.00 ATOM 53 C PHE A 6 -28.253 10.759 57.350 1.00 0.00 ATOM 54 N PHE A 7 -28.621 9.508 57.604 1.00 0.00 ATOM 55 CA PHE A 7 -27.638 8.418 57.736 1.00 0.00 ATOM 56 CB PHE A 7 -28.322 7.149 58.249 1.00 0.00 ATOM 57 CG PHE A 7 -27.353 5.967 58.369 1.00 0.00 ATOM 58 CD1 PHE A 7 -26.490 5.868 59.446 1.00 0.00 ATOM 59 CD2 PHE A 7 -27.336 4.991 57.380 1.00 0.00 ATOM 60 CE1 PHE A 7 -25.613 4.801 59.545 1.00 0.00 ATOM 61 CE2 PHE A 7 -26.461 3.923 57.479 1.00 0.00 ATOM 62 CZ PHE A 7 -25.597 3.823 58.556 1.00 0.00 ATOM 63 O PHE A 7 -25.723 7.998 56.313 1.00 0.00 ATOM 64 C PHE A 7 -26.941 8.176 56.395 1.00 0.00 ATOM 65 N THR A 8 -27.752 8.176 55.337 1.00 0.00 ATOM 66 CA THR A 8 -27.239 8.027 53.958 1.00 0.00 ATOM 67 CB THR A 8 -28.387 7.965 52.933 1.00 0.00 ATOM 68 CG2 THR A 8 -27.833 7.866 51.519 1.00 0.00 ATOM 69 OG1 THR A 8 -29.208 6.819 53.200 1.00 0.00 ATOM 70 O THR A 8 -25.219 9.003 53.086 1.00 0.00 ATOM 71 C THR A 8 -26.304 9.197 53.624 1.00 0.00 ATOM 72 N ARG A 9 -26.800 10.406 53.887 1.00 0.00 ATOM 73 CA ARG A 9 -26.126 11.641 53.472 1.00 0.00 ATOM 74 CB ARG A 9 -27.051 12.848 53.532 1.00 0.00 ATOM 75 CG ARG A 9 -28.142 12.870 52.472 1.00 0.00 ATOM 76 CD ARG A 9 -29.084 14.012 52.588 1.00 0.00 ATOM 77 NE ARG A 9 -30.132 14.032 51.580 1.00 0.00 ATOM 78 CZ ARG A 9 -31.166 14.897 51.569 1.00 0.00 ATOM 79 NH1 ARG A 9 -31.317 15.785 52.526 1.00 0.00 ATOM 80 NH2 ARG A 9 -32.041 14.812 50.582 1.00 0.00 ATOM 81 O ARG A 9 -23.864 12.376 53.590 1.00 0.00 ATOM 82 C ARG A 9 -24.834 11.970 54.224 1.00 0.00 ATOM 83 N GLU A 10 -24.753 11.567 55.493 1.00 0.00 ATOM 84 CA GLU A 10 -23.542 11.824 56.298 1.00 0.00 ATOM 85 CB GLU A 10 -23.764 11.393 57.749 1.00 0.00 ATOM 86 CG GLU A 10 -24.726 12.279 58.529 1.00 0.00 ATOM 87 CD GLU A 10 -25.238 11.581 59.758 1.00 0.00 ATOM 88 OE1 GLU A 10 -24.435 11.135 60.544 1.00 0.00 ATOM 89 OE2 GLU A 10 -26.428 11.591 59.970 1.00 0.00 ATOM 90 O GLU A 10 -21.182 11.548 55.817 1.00 0.00 ATOM 91 C GLU A 10 -22.322 11.097 55.709 1.00 0.00 ATOM 92 N GLN A 11 -22.588 9.950 55.064 1.00 0.00 ATOM 93 CA GLN A 11 -21.511 9.175 54.419 1.00 0.00 ATOM 94 CB GLN A 11 -22.013 7.784 54.024 1.00 0.00 ATOM 95 CG GLN A 11 -20.954 6.895 53.398 1.00 0.00 ATOM 96 CD GLN A 11 -21.482 5.512 53.068 1.00 0.00 ATOM 97 OE1 GLN A 11 -22.669 5.226 53.246 1.00 0.00 ATOM 98 NE2 GLN A 11 -20.600 4.642 52.587 1.00 0.00 ATOM 99 O GLN A 11 -19.795 9.917 52.954 1.00 0.00 ATOM 100 C GLN A 11 -20.993 9.908 53.203 1.00 0.00 ATOM 101 N LEU A 12 -21.946 10.432 52.434 1.00 0.00 ATOM 102 CA LEU A 12 -21.662 11.177 51.195 1.00 0.00 ATOM 103 CB LEU A 12 -22.952 11.377 50.391 1.00 0.00 ATOM 104 CG LEU A 12 -23.555 10.099 49.793 1.00 0.00 ATOM 105 CD1 LEU A 12 -24.905 10.403 49.160 1.00 0.00 ATOM 106 CD2 LEU A 12 -22.596 9.516 48.766 1.00 0.00 ATOM 107 O LEU A 12 -20.208 12.981 50.566 1.00 0.00 ATOM 108 C LEU A 12 -21.004 12.550 51.399 1.00 0.00 ATOM 109 N GLU A 13 -21.353 13.161 52.520 1.00 0.00 ATOM 110 CA GLU A 13 -20.974 14.528 52.886 1.00 0.00 ATOM 111 CB GLU A 13 -22.145 15.246 53.559 1.00 0.00 ATOM 112 CG GLU A 13 -23.388 15.373 52.691 1.00 0.00 ATOM 113 CD GLU A 13 -23.157 16.312 51.540 1.00 0.00 ATOM 114 OE1 GLU A 13 -22.187 17.030 51.570 1.00 0.00 ATOM 115 OE2 GLU A 13 -23.885 16.233 50.579 1.00 0.00 ATOM 116 O GLU A 13 -19.131 15.611 53.929 1.00 0.00 ATOM 117 C GLU A 13 -19.742 14.556 53.818 1.00 0.00 ATOM 118 N ASN A 14 -19.265 13.403 54.279 1.00 0.00 ATOM 119 CA ASN A 14 -18.046 13.285 55.106 1.00 0.00 ATOM 120 CB ASN A 14 -17.807 11.849 55.540 1.00 0.00 ATOM 121 CG ASN A 14 -16.683 11.695 56.526 1.00 0.00 ATOM 122 ND2 ASN A 14 -16.059 10.545 56.495 1.00 0.00 ATOM 123 OD1 ASN A 14 -16.335 12.632 57.255 1.00 0.00 ATOM 124 O ASN A 14 -16.475 13.606 53.237 1.00 0.00 ATOM 125 C ASN A 14 -16.768 13.817 54.408 1.00 0.00 ATOM 126 N THR A 15 -15.995 14.625 55.101 1.00 0.00 ATOM 127 CA THR A 15 -14.667 14.973 54.567 1.00 0.00 ATOM 128 CB THR A 15 -14.040 16.135 55.323 1.00 0.00 ATOM 129 CG2 THR A 15 -14.990 17.317 55.277 1.00 0.00 ATOM 130 OG1 THR A 15 -13.692 15.733 56.638 1.00 0.00 ATOM 131 O THR A 15 -14.016 12.713 55.159 1.00 0.00 ATOM 132 C THR A 15 -13.740 13.736 54.540 1.00 0.00 ATOM 133 N PRO A 16 -12.621 13.765 53.840 1.00 0.00 ATOM 134 CA PRO A 16 -11.576 12.736 53.840 1.00 0.00 ATOM 135 CB PRO A 16 -10.639 13.152 52.712 1.00 0.00 ATOM 136 CG PRO A 16 -10.714 14.672 52.735 1.00 0.00 ATOM 137 CD PRO A 16 -12.143 14.900 53.108 1.00 0.00 ATOM 138 O PRO A 16 -10.418 13.809 55.683 1.00 0.00 ATOM 139 C PRO A 16 -10.917 12.781 55.215 1.00 0.00 ATOM 140 N SER A 17 -10.888 11.593 55.819 1.00 0.00 ATOM 141 CA SER A 17 -10.442 11.437 57.226 1.00 0.00 ATOM 142 CB SER A 17 -10.515 9.980 57.638 1.00 0.00 ATOM 143 OG SER A 17 -11.834 9.511 57.683 1.00 0.00 ATOM 144 O SER A 17 -8.816 12.802 58.347 1.00 0.00 ATOM 145 C SER A 17 -9.023 11.959 57.483 1.00 0.00 ATOM 146 N ARG A 18 -8.080 11.554 56.636 1.00 0.00 ATOM 147 CA ARG A 18 -6.674 11.976 56.783 1.00 0.00 ATOM 148 CB ARG A 18 -5.714 10.794 56.757 1.00 0.00 ATOM 149 CG ARG A 18 -5.850 9.833 57.928 1.00 0.00 ATOM 150 CD ARG A 18 -4.841 8.744 57.945 1.00 0.00 ATOM 151 NE ARG A 18 -4.951 7.840 59.080 1.00 0.00 ATOM 152 CZ ARG A 18 -4.114 6.813 59.323 1.00 0.00 ATOM 153 NH1 ARG A 18 -3.130 6.532 58.499 1.00 0.00 ATOM 154 NH2 ARG A 18 -4.323 6.079 60.402 1.00 0.00 ATOM 155 O ARG A 18 -5.115 13.058 55.301 1.00 0.00 ATOM 156 C ARG A 18 -6.264 13.028 55.750 1.00 0.00 ATOM 157 N ARG A 19 -7.165 13.958 55.442 1.00 0.00 ATOM 158 CA ARG A 19 -6.851 15.023 54.455 1.00 0.00 ATOM 159 CB ARG A 19 -8.028 15.965 54.195 1.00 0.00 ATOM 160 CG ARG A 19 -8.455 16.800 55.407 1.00 0.00 ATOM 161 CD ARG A 19 -9.669 17.659 55.072 1.00 0.00 ATOM 162 NE ARG A 19 -10.033 18.425 56.269 1.00 0.00 ATOM 163 CZ ARG A 19 -10.639 17.934 57.353 1.00 0.00 ATOM 164 NH1 ARG A 19 -10.887 18.711 58.387 1.00 0.00 ATOM 165 NH2 ARG A 19 -11.039 16.677 57.439 1.00 0.00 ATOM 166 O ARG A 19 -4.901 16.437 54.149 1.00 0.00 ATOM 167 C ARG A 19 -5.652 15.871 54.918 1.00 0.00 ATOM 168 N CYS A 20 -5.536 16.056 56.216 1.00 0.00 ATOM 169 CA CYS A 20 -4.455 16.878 56.790 1.00 0.00 ATOM 170 CB CYS A 20 -4.541 16.871 58.299 1.00 0.00 ATOM 171 SG CYS A 20 -4.282 15.182 58.958 1.00 0.00 ATOM 172 O CYS A 20 -2.153 17.270 56.346 1.00 0.00 ATOM 173 C CYS A 20 -3.038 16.424 56.410 1.00 0.00 ATOM 174 N GLY A 21 -2.883 15.119 56.183 1.00 0.00 ATOM 175 CA GLY A 21 -1.568 14.561 55.841 1.00 0.00 ATOM 176 O GLY A 21 0.137 15.410 54.360 1.00 0.00 ATOM 177 C GLY A 21 -1.046 15.117 54.528 1.00 0.00 ATOM 178 N VAL A 22 -1.986 15.280 53.615 1.00 0.00 ATOM 179 CA VAL A 22 -1.654 15.781 52.274 1.00 0.00 ATOM 180 CB VAL A 22 -2.760 15.446 51.256 1.00 0.00 ATOM 181 CG1 VAL A 22 -2.448 16.073 49.906 1.00 0.00 ATOM 182 CG2 VAL A 22 -2.921 13.940 51.119 1.00 0.00 ATOM 183 O VAL A 22 -1.107 17.743 51.119 1.00 0.00 ATOM 184 C VAL A 22 -1.416 17.283 52.202 1.00 0.00 ATOM 185 N GLU A 23 -1.831 17.982 53.256 1.00 0.00 ATOM 186 CA GLU A 23 -1.724 19.447 53.309 1.00 0.00 ATOM 187 CB GLU A 23 -2.760 20.025 54.274 1.00 0.00 ATOM 188 CG GLU A 23 -2.958 21.530 54.158 1.00 0.00 ATOM 189 CD GLU A 23 -3.536 21.903 52.820 1.00 0.00 ATOM 190 OE1 GLU A 23 -4.569 21.380 52.475 1.00 0.00 ATOM 191 OE2 GLU A 23 -3.008 22.791 52.194 1.00 0.00 ATOM 192 O GLU A 23 0.178 19.480 54.790 1.00 0.00 ATOM 193 C GLU A 23 -0.292 19.862 53.728 1.00 0.00 ATOM 194 N ALA A 24 0.403 20.485 52.785 1.00 0.00 ATOM 195 CA ALA A 24 1.818 20.884 52.960 1.00 0.00 ATOM 196 CB ALA A 24 2.386 21.268 51.591 1.00 0.00 ATOM 197 O ALA A 24 2.956 21.881 54.815 1.00 0.00 ATOM 198 C ALA A 24 2.067 22.011 53.980 1.00 0.00 ATOM 199 N ASP A 25 1.146 22.978 54.017 1.00 0.00 ATOM 200 CA ASP A 25 1.328 24.190 54.860 1.00 0.00 ATOM 201 CB ASP A 25 1.010 25.453 54.056 1.00 0.00 ATOM 202 CG ASP A 25 1.916 25.680 52.854 1.00 0.00 ATOM 203 OD1 ASP A 25 3.112 25.602 53.013 1.00 0.00 ATOM 204 OD2 ASP A 25 1.410 25.771 51.762 1.00 0.00 ATOM 205 O ASP A 25 0.620 25.236 56.925 1.00 0.00 ATOM 206 C ASP A 25 0.511 24.274 56.157 1.00 0.00 ATOM 207 N LYS A 26 -0.467 23.379 56.310 1.00 0.00 ATOM 208 CA LYS A 26 -1.375 23.437 57.482 1.00 0.00 ATOM 209 CB LYS A 26 -2.813 23.697 57.031 1.00 0.00 ATOM 210 CG LYS A 26 -3.330 25.093 57.352 1.00 0.00 ATOM 211 CD LYS A 26 -2.693 26.139 56.452 1.00 0.00 ATOM 212 CE LYS A 26 -3.431 26.252 55.124 1.00 0.00 ATOM 213 NZ LYS A 26 -3.002 25.203 54.160 1.00 0.00 ATOM 214 O LYS A 26 -1.099 21.065 57.877 1.00 0.00 ATOM 215 C LYS A 26 -1.352 22.167 58.348 1.00 0.00 ATOM 216 N GLU A 27 -1.804 22.340 59.578 1.00 0.00 ATOM 217 CA GLU A 27 -1.893 21.235 60.541 1.00 0.00 ATOM 218 CB GLU A 27 -0.784 21.348 61.590 1.00 0.00 ATOM 219 CG GLU A 27 0.626 21.223 61.029 1.00 0.00 ATOM 220 CD GLU A 27 1.658 21.328 62.118 1.00 0.00 ATOM 221 OE1 GLU A 27 1.280 21.449 63.258 1.00 0.00 ATOM 222 OE2 GLU A 27 2.820 21.174 61.825 1.00 0.00 ATOM 223 O GLU A 27 -4.028 22.143 61.197 1.00 0.00 ATOM 224 C GLU A 27 -3.242 21.178 61.239 1.00 0.00 ATOM 225 N LEU A 28 -3.460 20.074 61.945 1.00 0.00 ATOM 226 CA LEU A 28 -4.680 19.940 62.744 1.00 0.00 ATOM 227 CB LEU A 28 -4.773 18.572 63.397 1.00 0.00 ATOM 228 CG LEU A 28 -4.718 17.353 62.494 1.00 0.00 ATOM 229 CD1 LEU A 28 -4.960 16.161 63.401 1.00 0.00 ATOM 230 CD2 LEU A 28 -5.703 17.457 61.324 1.00 0.00 ATOM 231 O LEU A 28 -5.855 21.569 64.047 1.00 0.00 ATOM 232 C LEU A 28 -4.775 21.003 63.837 1.00 0.00 ATOM 233 N SER A 29 -3.612 21.429 64.334 1.00 0.00 ATOM 234 CA SER A 29 -3.530 22.506 65.331 1.00 0.00 ATOM 235 CB SER A 29 -2.086 22.700 65.774 1.00 0.00 ATOM 236 OG SER A 29 -1.676 21.573 66.498 1.00 0.00 ATOM 237 O SER A 29 -4.779 24.571 65.424 1.00 0.00 ATOM 238 C SER A 29 -4.014 23.851 64.772 1.00 0.00 ATOM 239 N CYS A 30 -3.660 24.104 63.518 1.00 0.00 ATOM 240 CA CYS A 30 -4.095 25.333 62.841 1.00 0.00 ATOM 241 CB CYS A 30 -3.414 25.471 61.474 1.00 0.00 ATOM 242 SG CYS A 30 -1.627 25.805 61.695 1.00 0.00 ATOM 243 O CYS A 30 -6.302 26.252 62.940 1.00 0.00 ATOM 244 C CYS A 30 -5.618 25.266 62.728 1.00 0.00 ATOM 245 N ARG A 31 -6.102 24.135 62.230 1.00 0.00 ATOM 246 CA ARG A 31 -7.547 23.892 62.046 1.00 0.00 ATOM 247 CB ARG A 31 -7.833 22.489 61.533 1.00 0.00 ATOM 248 CG ARG A 31 -7.254 22.177 60.162 1.00 0.00 ATOM 249 CD ARG A 31 -7.370 20.754 59.755 1.00 0.00 ATOM 250 NE ARG A 31 -6.706 20.429 58.504 1.00 0.00 ATOM 251 CZ ARG A 31 -7.225 20.652 57.281 1.00 0.00 ATOM 252 NH1 ARG A 31 -8.427 21.167 57.139 1.00 0.00 ATOM 253 NH2 ARG A 31 -6.504 20.319 56.225 1.00 0.00 ATOM 254 O ARG A 31 -9.225 25.037 63.277 1.00 0.00 ATOM 255 C ARG A 31 -8.357 24.181 63.319 1.00 0.00 ATOM 256 N GLN A 32 -7.790 23.745 64.448 1.00 0.00 ATOM 257 CA GLN A 32 -8.335 24.089 65.774 1.00 0.00 ATOM 258 CB GLN A 32 -7.468 23.500 66.888 1.00 0.00 ATOM 259 CG GLN A 32 -7.371 21.982 66.809 1.00 0.00 ATOM 260 CD GLN A 32 -6.457 21.463 67.904 1.00 0.00 ATOM 261 OE1 GLN A 32 -5.797 22.138 68.694 1.00 0.00 ATOM 262 NE2 GLN A 32 -6.364 20.179 67.953 1.00 0.00 ATOM 263 O GLN A 32 -9.347 26.159 66.417 1.00 0.00 ATOM 264 C GLN A 32 -8.342 25.617 65.990 1.00 0.00 ATOM 265 N GLN A 33 -7.288 26.279 65.525 1.00 0.00 ATOM 266 CA GLN A 33 -7.168 27.757 65.588 1.00 0.00 ATOM 267 CB GLN A 33 -5.781 28.202 65.118 1.00 0.00 ATOM 268 CG GLN A 33 -4.655 27.849 66.075 1.00 0.00 ATOM 269 CD GLN A 33 -3.287 28.178 65.508 1.00 0.00 ATOM 270 OE1 GLN A 33 -3.164 28.610 64.358 1.00 0.00 ATOM 271 NE2 GLN A 33 -2.250 27.974 66.311 1.00 0.00 ATOM 272 O GLN A 33 -8.980 29.285 65.256 1.00 0.00 ATOM 273 C GLN A 33 -8.239 28.456 64.742 1.00 0.00 ATOM 274 N ALA A 34 -8.365 28.042 63.477 1.00 0.00 ATOM 275 CA ALA A 34 -9.352 28.635 62.549 1.00 0.00 ATOM 276 CB ALA A 34 -9.282 27.980 61.171 1.00 0.00 ATOM 277 O ALA A 34 -11.523 29.451 63.119 1.00 0.00 ATOM 278 C ALA A 34 -10.786 28.477 63.042 1.00 0.00 ATOM 279 N ALA A 35 -11.143 27.254 63.430 1.00 0.00 ATOM 280 CA ALA A 35 -12.493 26.947 63.931 1.00 0.00 ATOM 281 CB ALA A 35 -12.658 25.453 64.164 1.00 0.00 ATOM 282 O ALA A 35 -13.868 28.326 65.329 1.00 0.00 ATOM 283 C ALA A 35 -12.811 27.710 65.218 1.00 0.00 ATOM 284 N ASN A 36 -11.834 27.757 66.127 1.00 0.00 ATOM 285 CA ASN A 36 -12.004 28.535 67.371 1.00 0.00 ATOM 286 CB ASN A 36 -10.807 28.378 68.291 1.00 0.00 ATOM 287 CG ASN A 36 -11.064 28.829 69.702 1.00 0.00 ATOM 288 ND2 ASN A 36 -10.400 29.889 70.087 1.00 0.00 ATOM 289 OD1 ASN A 36 -11.907 28.267 70.410 1.00 0.00 ATOM 290 O ASN A 36 -13.160 30.568 67.753 1.00 0.00 ATOM 291 C ASN A 36 -12.251 30.022 67.140 1.00 0.00 ATOM 292 N LEU A 37 -11.539 30.547 66.144 1.00 0.00 ATOM 293 CA LEU A 37 -11.740 31.934 65.660 1.00 0.00 ATOM 294 CB LEU A 37 -10.701 32.276 64.584 1.00 0.00 ATOM 295 CG LEU A 37 -10.806 33.692 64.002 1.00 0.00 ATOM 296 CD1 LEU A 37 -10.595 34.724 65.102 1.00 0.00 ATOM 297 CD2 LEU A 37 -9.776 33.864 62.895 1.00 0.00 ATOM 298 O LEU A 37 -13.848 33.083 65.497 1.00 0.00 ATOM 299 C LEU A 37 -13.147 32.154 65.110 1.00 0.00 ATOM 300 N ILE A 38 -13.610 31.194 64.300 1.00 0.00 ATOM 301 CA ILE A 38 -14.997 31.203 63.768 1.00 0.00 ATOM 302 CB ILE A 38 -15.272 29.970 62.887 1.00 0.00 ATOM 303 CG1 ILE A 38 -14.451 30.042 61.597 1.00 0.00 ATOM 304 CG2 ILE A 38 -16.757 29.864 62.571 1.00 0.00 ATOM 305 CD1 ILE A 38 -14.456 28.759 60.798 1.00 0.00 ATOM 306 O ILE A 38 -17.075 31.912 64.773 1.00 0.00 ATOM 307 C ILE A 38 -16.044 31.249 64.905 1.00 0.00 ATOM 308 N GLN A 39 -15.741 30.580 66.016 1.00 0.00 ATOM 309 CA GLN A 39 -16.644 30.624 67.188 1.00 0.00 ATOM 310 CB GLN A 39 -16.090 29.760 68.325 1.00 0.00 ATOM 311 CG GLN A 39 -15.902 28.297 67.960 1.00 0.00 ATOM 312 CD GLN A 39 -17.220 27.553 67.856 1.00 0.00 ATOM 313 OE1 GLN A 39 -18.086 27.673 68.728 1.00 0.00 ATOM 314 NE2 GLN A 39 -17.379 26.776 66.792 1.00 0.00 ATOM 315 O GLN A 39 -17.938 32.489 67.998 1.00 0.00 ATOM 316 C GLN A 39 -16.832 32.058 67.668 1.00 0.00 ATOM 317 N GLU A 40 -15.702 32.743 67.782 1.00 0.00 ATOM 318 CA GLU A 40 -15.677 34.134 68.229 1.00 0.00 ATOM 319 CB GLU A 40 -14.234 34.625 68.373 1.00 0.00 ATOM 320 CG GLU A 40 -14.105 36.062 68.859 1.00 0.00 ATOM 321 CD GLU A 40 -12.664 36.437 69.073 1.00 0.00 ATOM 322 OE1 GLU A 40 -11.895 36.316 68.150 1.00 0.00 ATOM 323 OE2 GLU A 40 -12.356 36.952 70.122 1.00 0.00 ATOM 324 O GLU A 40 -17.224 35.881 67.708 1.00 0.00 ATOM 325 C GLU A 40 -16.444 35.036 67.265 1.00 0.00 ATOM 326 N MET A 41 -16.196 34.825 65.978 1.00 0.00 ATOM 327 CA MET A 41 -16.853 35.591 64.900 1.00 0.00 ATOM 328 CB MET A 41 -16.317 35.150 63.539 1.00 0.00 ATOM 329 CG MET A 41 -14.882 35.570 63.260 1.00 0.00 ATOM 330 SD MET A 41 -14.443 35.429 61.515 1.00 0.00 ATOM 331 CE MET A 41 -14.303 33.652 61.345 1.00 0.00 ATOM 332 O MET A 41 -19.120 36.397 65.026 1.00 0.00 ATOM 333 C MET A 41 -18.373 35.416 64.967 1.00 0.00 ATOM 334 N GLY A 42 -18.746 34.164 65.229 1.00 0.00 ATOM 335 CA GLY A 42 -20.141 33.811 65.464 1.00 0.00 ATOM 336 O GLY A 42 -21.862 35.200 66.424 1.00 0.00 ATOM 337 C GLY A 42 -20.802 34.592 66.596 1.00 0.00 ATOM 338 N GLN A 43 -20.089 34.629 67.701 1.00 0.00 ATOM 339 CA GLN A 43 -20.526 35.359 68.904 1.00 0.00 ATOM 340 CB GLN A 43 -19.549 35.121 70.059 1.00 0.00 ATOM 341 CG GLN A 43 -19.548 33.699 70.590 1.00 0.00 ATOM 342 CD GLN A 43 -20.896 33.290 71.153 1.00 0.00 ATOM 343 OE1 GLN A 43 -21.524 34.039 71.907 1.00 0.00 ATOM 344 NE2 GLN A 43 -21.347 32.093 70.793 1.00 0.00 ATOM 345 O GLN A 43 -21.630 37.485 69.043 1.00 0.00 ATOM 346 C GLN A 43 -20.650 36.861 68.648 1.00 0.00 ATOM 347 N ARG A 44 -19.644 37.412 67.975 1.00 0.00 ATOM 348 CA ARG A 44 -19.591 38.856 67.671 1.00 0.00 ATOM 349 CB ARG A 44 -18.344 39.204 66.864 1.00 0.00 ATOM 350 CG ARG A 44 -17.079 39.098 67.712 1.00 0.00 ATOM 351 CD ARG A 44 -15.887 39.346 66.802 1.00 0.00 ATOM 352 NE ARG A 44 -14.620 39.289 67.538 1.00 0.00 ATOM 353 CZ ARG A 44 -13.437 39.431 66.935 1.00 0.00 ATOM 354 NH1 ARG A 44 -12.312 39.436 67.620 1.00 0.00 ATOM 355 NH2 ARG A 44 -13.314 39.559 65.640 1.00 0.00 ATOM 356 O ARG A 44 -21.445 40.304 67.191 1.00 0.00 ATOM 357 C ARG A 44 -20.812 39.302 66.857 1.00 0.00 ATOM 358 N LEU A 45 -21.179 38.469 65.887 1.00 0.00 ATOM 359 CA LEU A 45 -22.271 38.785 64.956 1.00 0.00 ATOM 360 CB LEU A 45 -21.911 38.307 63.546 1.00 0.00 ATOM 361 CG LEU A 45 -20.630 38.954 62.989 1.00 0.00 ATOM 362 CD1 LEU A 45 -20.202 38.271 61.690 1.00 0.00 ATOM 363 CD2 LEU A 45 -20.811 40.460 62.768 1.00 0.00 ATOM 364 O LEU A 45 -24.618 38.403 64.667 1.00 0.00 ATOM 365 C LEU A 45 -23.620 38.210 65.370 1.00 0.00 ATOM 366 N ASN A 46 -23.645 37.531 66.513 1.00 0.00 ATOM 367 CA ASN A 46 -24.849 36.856 67.047 1.00 0.00 ATOM 368 CB ASN A 46 -25.910 37.861 67.459 1.00 0.00 ATOM 369 CG ASN A 46 -26.956 37.291 68.378 1.00 0.00 ATOM 370 ND2 ASN A 46 -28.158 37.791 68.241 1.00 0.00 ATOM 371 OD1 ASN A 46 -26.695 36.360 69.148 1.00 0.00 ATOM 372 O ASN A 46 -26.671 35.762 65.894 1.00 0.00 ATOM 373 C ASN A 46 -25.460 35.852 66.056 1.00 0.00 ATOM 374 N VAL A 47 -24.571 35.131 65.391 1.00 0.00 ATOM 375 CA VAL A 47 -24.973 34.116 64.406 1.00 0.00 ATOM 376 CB VAL A 47 -23.871 33.754 63.391 1.00 0.00 ATOM 377 CG1 VAL A 47 -23.288 34.986 62.697 1.00 0.00 ATOM 378 CG2 VAL A 47 -22.775 32.877 63.973 1.00 0.00 ATOM 379 O VAL A 47 -25.120 32.545 66.255 1.00 0.00 ATOM 380 C VAL A 47 -25.493 32.849 65.114 1.00 0.00 ATOM 381 N SER A 48 -26.220 32.043 64.344 1.00 0.00 ATOM 382 CA SER A 48 -26.713 30.759 64.861 1.00 0.00 ATOM 383 CB SER A 48 -27.815 30.224 63.968 1.00 0.00 ATOM 384 OG SER A 48 -27.310 29.668 62.785 1.00 0.00 ATOM 385 O SER A 48 -24.555 29.751 64.315 1.00 0.00 ATOM 386 C SER A 48 -25.577 29.725 64.984 1.00 0.00 ATOM 387 N GLN A 49 -25.734 28.831 65.945 1.00 0.00 ATOM 388 CA GLN A 49 -24.798 27.685 66.023 1.00 0.00 ATOM 389 CB GLN A 49 -25.168 26.771 67.194 1.00 0.00 ATOM 390 CG GLN A 49 -24.879 27.363 68.564 1.00 0.00 ATOM 391 CD GLN A 49 -25.345 26.466 69.693 1.00 0.00 ATOM 392 OE1 GLN A 49 -25.945 25.413 69.461 1.00 0.00 ATOM 393 NE2 GLN A 49 -25.074 26.879 70.926 1.00 0.00 ATOM 394 O GLN A 49 -23.704 26.406 64.305 1.00 0.00 ATOM 395 C GLN A 49 -24.763 26.851 64.741 1.00 0.00 ATOM 396 N LEU A 50 -25.931 26.736 64.095 1.00 0.00 ATOM 397 CA LEU A 50 -26.077 26.065 62.789 1.00 0.00 ATOM 398 CB LEU A 50 -27.528 26.164 62.302 1.00 0.00 ATOM 399 CG LEU A 50 -28.040 24.943 61.525 1.00 0.00 ATOM 400 CD1 LEU A 50 -29.529 25.092 61.244 1.00 0.00 ATOM 401 CD2 LEU A 50 -27.257 24.802 60.228 1.00 0.00 ATOM 402 O LEU A 50 -24.478 25.890 61.019 1.00 0.00 ATOM 403 C LEU A 50 -25.129 26.653 61.730 1.00 0.00 ATOM 404 N THR A 51 -24.957 27.980 61.768 1.00 0.00 ATOM 405 CA THR A 51 -24.084 28.768 60.860 1.00 0.00 ATOM 406 CB THR A 51 -24.137 30.272 61.188 1.00 0.00 ATOM 407 CG2 THR A 51 -23.200 31.049 60.278 1.00 0.00 ATOM 408 OG1 THR A 51 -25.477 30.753 61.013 1.00 0.00 ATOM 409 O THR A 51 -21.976 28.000 59.964 1.00 0.00 ATOM 410 C THR A 51 -22.646 28.267 60.962 1.00 0.00 ATOM 411 N ILE A 52 -22.173 28.227 62.211 1.00 0.00 ATOM 412 CA ILE A 52 -20.781 27.855 62.545 1.00 0.00 ATOM 413 CB ILE A 52 -20.528 27.921 64.063 1.00 0.00 ATOM 414 CG1 ILE A 52 -20.595 29.371 64.553 1.00 0.00 ATOM 415 CG2 ILE A 52 -19.181 27.304 64.405 1.00 0.00 ATOM 416 CD1 ILE A 52 -20.631 29.504 66.057 1.00 0.00 ATOM 417 O ILE A 52 -19.512 26.197 61.337 1.00 0.00 ATOM 418 C ILE A 52 -20.502 26.444 62.020 1.00 0.00 ATOM 419 N ASN A 53 -21.413 25.530 62.385 1.00 0.00 ATOM 420 CA ASN A 53 -21.277 24.109 62.005 1.00 0.00 ATOM 421 CB ASN A 53 -22.404 23.270 62.579 1.00 0.00 ATOM 422 CG ASN A 53 -22.245 22.964 64.043 1.00 0.00 ATOM 423 ND2 ASN A 53 -23.202 23.405 64.820 1.00 0.00 ATOM 424 OD1 ASN A 53 -21.307 22.274 64.455 1.00 0.00 ATOM 425 O ASN A 53 -20.333 23.191 59.998 1.00 0.00 ATOM 426 C ASN A 53 -21.214 23.902 60.496 1.00 0.00 ATOM 427 N THR A 54 -22.074 24.638 59.799 1.00 0.00 ATOM 428 CA THR A 54 -22.093 24.631 58.326 1.00 0.00 ATOM 429 CB THR A 54 -23.199 25.548 57.771 1.00 0.00 ATOM 430 CG2 THR A 54 -23.064 25.696 56.265 1.00 0.00 ATOM 431 OG1 THR A 54 -24.484 24.992 58.081 1.00 0.00 ATOM 432 O THR A 54 -20.229 24.434 56.818 1.00 0.00 ATOM 433 C THR A 54 -20.763 25.066 57.733 1.00 0.00 ATOM 434 N ALA A 55 -20.308 26.195 58.236 1.00 0.00 ATOM 435 CA ALA A 55 -19.056 26.810 57.763 1.00 0.00 ATOM 436 CB ALA A 55 -18.884 28.077 58.583 1.00 0.00 ATOM 437 O ALA A 55 -17.097 25.647 56.986 1.00 0.00 ATOM 438 C ALA A 55 -17.862 25.850 57.935 1.00 0.00 ATOM 439 N ILE A 56 -17.830 25.146 59.065 1.00 0.00 ATOM 440 CA ILE A 56 -16.763 24.156 59.341 1.00 0.00 ATOM 441 CB ILE A 56 -16.880 23.581 60.764 1.00 0.00 ATOM 442 CG1 ILE A 56 -16.581 24.666 61.803 1.00 0.00 ATOM 443 CG2 ILE A 56 -15.940 22.398 60.940 1.00 0.00 ATOM 444 CD1 ILE A 56 -16.929 24.267 63.220 1.00 0.00 ATOM 445 O ILE A 56 -15.782 22.600 57.784 1.00 0.00 ATOM 446 C ILE A 56 -16.825 23.007 58.311 1.00 0.00 ATOM 447 N VAL A 57 -18.036 22.493 58.097 1.00 0.00 ATOM 448 CA VAL A 57 -18.285 21.449 57.064 1.00 0.00 ATOM 449 CB VAL A 57 -19.791 21.179 56.885 1.00 0.00 ATOM 450 CG1 VAL A 57 -20.042 20.381 55.615 1.00 0.00 ATOM 451 CG2 VAL A 57 -20.349 20.443 58.095 1.00 0.00 ATOM 452 O VAL A 57 -16.879 21.149 55.122 1.00 0.00 ATOM 453 C VAL A 57 -17.672 21.876 55.720 1.00 0.00 ATOM 454 N TYR A 58 -18.044 23.081 55.300 1.00 0.00 ATOM 455 CA TYR A 58 -17.592 23.626 54.010 1.00 0.00 ATOM 456 CB TYR A 58 -18.134 25.026 53.810 1.00 0.00 ATOM 457 CG TYR A 58 -19.536 25.137 53.223 1.00 0.00 ATOM 458 CD1 TYR A 58 -20.376 26.112 53.753 1.00 0.00 ATOM 459 CD2 TYR A 58 -19.946 24.347 52.170 1.00 0.00 ATOM 460 CE1 TYR A 58 -21.646 26.281 53.227 1.00 0.00 ATOM 461 CE2 TYR A 58 -21.218 24.525 51.656 1.00 0.00 ATOM 462 CZ TYR A 58 -22.065 25.481 52.180 1.00 0.00 ATOM 463 OH TYR A 58 -23.318 25.614 51.683 1.00 0.00 ATOM 464 O TYR A 58 -15.462 23.247 52.969 1.00 0.00 ATOM 465 C TYR A 58 -16.069 23.733 53.922 1.00 0.00 ATOM 466 N MET A 59 -15.488 24.240 54.999 1.00 0.00 ATOM 467 CA MET A 59 -14.025 24.397 55.097 1.00 0.00 ATOM 468 CB MET A 59 -13.636 24.998 56.447 1.00 0.00 ATOM 469 CG MET A 59 -14.024 26.465 56.543 1.00 0.00 ATOM 470 SD MET A 59 -13.609 27.094 58.195 1.00 0.00 ATOM 471 CE MET A 59 -11.832 27.105 58.154 1.00 0.00 ATOM 472 O MET A 59 -12.546 22.856 54.024 1.00 0.00 ATOM 473 C MET A 59 -13.327 23.051 54.950 1.00 0.00 ATOM 474 N HIS A 60 -13.783 22.057 55.706 1.00 0.00 ATOM 475 CA HIS A 60 -13.131 20.744 55.666 1.00 0.00 ATOM 476 CB HIS A 60 -13.673 19.860 56.770 1.00 0.00 ATOM 477 CG HIS A 60 -13.383 20.287 58.197 1.00 0.00 ATOM 478 CD2 HIS A 60 -12.465 21.098 58.695 1.00 0.00 ATOM 479 ND1 HIS A 60 -13.936 19.705 59.243 1.00 0.00 ATOM 480 CE1 HIS A 60 -13.417 20.135 60.375 1.00 0.00 ATOM 481 NE2 HIS A 60 -12.479 20.992 60.019 1.00 0.00 ATOM 482 O HIS A 60 -12.291 19.555 53.790 1.00 0.00 ATOM 483 C HIS A 60 -13.286 20.079 54.293 1.00 0.00 ATOM 484 N ARG A 61 -14.476 20.217 53.694 1.00 0.00 ATOM 485 CA ARG A 61 -14.776 19.734 52.338 1.00 0.00 ATOM 486 CB ARG A 61 -16.250 19.876 51.990 1.00 0.00 ATOM 487 CG ARG A 61 -17.145 18.775 52.537 1.00 0.00 ATOM 488 CD ARG A 61 -18.587 18.946 52.222 1.00 0.00 ATOM 489 NE ARG A 61 -18.911 18.844 50.808 1.00 0.00 ATOM 490 CZ ARG A 61 -19.112 17.686 50.150 1.00 0.00 ATOM 491 NH1 ARG A 61 -18.985 16.529 50.763 1.00 0.00 ATOM 492 NH2 ARG A 61 -19.415 17.742 48.865 1.00 0.00 ATOM 493 O ARG A 61 -13.338 19.817 50.354 1.00 0.00 ATOM 494 C ARG A 61 -13.893 20.410 51.273 1.00 0.00 ATOM 495 N PHE A 62 -13.719 21.705 51.429 1.00 0.00 ATOM 496 CA PHE A 62 -12.883 22.494 50.520 1.00 0.00 ATOM 497 CB PHE A 62 -13.055 23.988 50.798 1.00 0.00 ATOM 498 CG PHE A 62 -14.469 24.473 50.653 1.00 0.00 ATOM 499 CD1 PHE A 62 -15.496 23.586 50.366 1.00 0.00 ATOM 500 CD2 PHE A 62 -14.776 25.817 50.804 1.00 0.00 ATOM 501 CE1 PHE A 62 -16.797 24.032 50.231 1.00 0.00 ATOM 502 CE2 PHE A 62 -16.076 26.265 50.672 1.00 0.00 ATOM 503 CZ PHE A 62 -17.087 25.371 50.385 1.00 0.00 ATOM 504 O PHE A 62 -10.758 21.795 49.634 1.00 0.00 ATOM 505 C PHE A 62 -11.396 22.105 50.637 1.00 0.00 ATOM 506 N TYR A 63 -10.937 21.974 51.874 1.00 0.00 ATOM 507 CA TYR A 63 -9.548 21.574 52.166 1.00 0.00 ATOM 508 CB TYR A 63 -9.237 21.763 53.653 1.00 0.00 ATOM 509 CG TYR A 63 -8.824 23.170 54.020 1.00 0.00 ATOM 510 CD1 TYR A 63 -9.772 24.132 54.333 1.00 0.00 ATOM 511 CD2 TYR A 63 -7.485 23.531 54.055 1.00 0.00 ATOM 512 CE1 TYR A 63 -9.400 25.421 54.668 1.00 0.00 ATOM 513 CE2 TYR A 63 -7.101 24.815 54.390 1.00 0.00 ATOM 514 CZ TYR A 63 -8.062 25.757 54.696 1.00 0.00 ATOM 515 OH TYR A 63 -7.684 27.038 55.031 1.00 0.00 ATOM 516 O TYR A 63 -8.120 19.787 51.457 1.00 0.00 ATOM 517 C TYR A 63 -9.251 20.122 51.767 1.00 0.00 ATOM 518 N MET A 64 -10.286 19.274 51.780 1.00 0.00 ATOM 519 CA MET A 64 -10.241 17.876 51.294 1.00 0.00 ATOM 520 CB MET A 64 -11.602 17.368 50.822 1.00 0.00 ATOM 521 CG MET A 64 -12.792 17.454 51.722 1.00 0.00 ATOM 522 SD MET A 64 -14.277 16.863 50.850 1.00 0.00 ATOM 523 CE MET A 64 -14.052 15.159 50.414 1.00 0.00 ATOM 524 O MET A 64 -8.999 16.701 49.654 1.00 0.00 ATOM 525 C MET A 64 -9.525 17.763 49.947 1.00 0.00 ATOM 526 N HIS A 65 -9.904 18.706 49.095 1.00 0.00 ATOM 527 CA HIS A 65 -9.550 18.644 47.672 1.00 0.00 ATOM 528 CB HIS A 65 -10.824 18.601 46.818 1.00 0.00 ATOM 529 CG HIS A 65 -11.646 17.322 47.017 1.00 0.00 ATOM 530 CD2 HIS A 65 -12.905 17.254 47.423 1.00 0.00 ATOM 531 ND1 HIS A 65 -11.224 16.081 46.784 1.00 0.00 ATOM 532 CE1 HIS A 65 -12.223 15.249 47.030 1.00 0.00 ATOM 533 NE2 HIS A 65 -13.263 15.965 47.435 1.00 0.00 ATOM 534 O HIS A 65 -8.093 19.669 46.098 1.00 0.00 ATOM 535 C HIS A 65 -8.630 19.770 47.199 1.00 0.00 ATOM 536 N HIS A 66 -8.441 20.800 48.017 1.00 0.00 ATOM 537 CA HIS A 66 -7.690 21.980 47.572 1.00 0.00 ATOM 538 CB HIS A 66 -8.627 23.177 47.380 1.00 0.00 ATOM 539 CG HIS A 66 -9.691 22.948 46.353 1.00 0.00 ATOM 540 CD2 HIS A 66 -10.976 22.538 46.477 1.00 0.00 ATOM 541 ND1 HIS A 66 -9.480 23.149 45.006 1.00 0.00 ATOM 542 CE1 HIS A 66 -10.591 22.871 44.344 1.00 0.00 ATOM 543 NE2 HIS A 66 -11.512 22.498 45.214 1.00 0.00 ATOM 544 O HIS A 66 -6.833 22.597 49.739 1.00 0.00 ATOM 545 C HIS A 66 -6.572 22.356 48.553 1.00 0.00 ATOM 546 N SER A 67 -5.350 22.257 48.061 1.00 0.00 ATOM 547 CA SER A 67 -4.166 22.691 48.828 1.00 0.00 ATOM 548 CB SER A 67 -2.898 22.270 48.112 1.00 0.00 ATOM 549 OG SER A 67 -1.745 22.709 48.778 1.00 0.00 ATOM 550 O SER A 67 -4.420 24.975 48.105 1.00 0.00 ATOM 551 C SER A 67 -4.202 24.200 49.032 1.00 0.00 ATOM 552 N PHE A 68 -4.026 24.578 50.290 1.00 0.00 ATOM 553 CA PHE A 68 -4.023 25.991 50.666 1.00 0.00 ATOM 554 CB PHE A 68 -5.198 26.300 51.596 1.00 0.00 ATOM 555 CG PHE A 68 -6.544 26.101 50.959 1.00 0.00 ATOM 556 CD1 PHE A 68 -7.210 24.889 51.073 1.00 0.00 ATOM 557 CD2 PHE A 68 -7.147 27.125 50.244 1.00 0.00 ATOM 558 CE1 PHE A 68 -8.447 24.705 50.487 1.00 0.00 ATOM 559 CE2 PHE A 68 -8.384 26.944 49.658 1.00 0.00 ATOM 560 CZ PHE A 68 -9.036 25.733 49.781 1.00 0.00 ATOM 561 O PHE A 68 -2.232 25.755 52.226 1.00 0.00 ATOM 562 C PHE A 68 -2.730 26.426 51.336 1.00 0.00 ATOM 563 N THR A 69 -2.340 27.652 51.068 1.00 0.00 ATOM 564 CA THR A 69 -1.233 28.225 51.853 1.00 0.00 ATOM 565 CB THR A 69 -0.429 29.250 51.031 1.00 0.00 ATOM 566 CG2 THR A 69 0.154 28.597 49.788 1.00 0.00 ATOM 567 OG1 THR A 69 -1.286 30.331 50.642 1.00 0.00 ATOM 568 O THR A 69 -2.997 29.336 53.070 1.00 0.00 ATOM 569 C THR A 69 -1.851 28.866 53.090 1.00 0.00 ATOM 570 N LYS A 70 -1.070 28.917 54.159 1.00 0.00 ATOM 571 CA LYS A 70 -1.555 29.426 55.464 1.00 0.00 ATOM 572 CB LYS A 70 -0.424 29.431 56.492 1.00 0.00 ATOM 573 CG LYS A 70 -0.835 29.907 57.880 1.00 0.00 ATOM 574 CD LYS A 70 0.323 29.810 58.863 1.00 0.00 ATOM 575 CE LYS A 70 -0.082 30.302 60.245 1.00 0.00 ATOM 576 NZ LYS A 70 1.041 30.218 61.217 1.00 0.00 ATOM 577 O LYS A 70 -3.211 31.088 55.952 1.00 0.00 ATOM 578 C LYS A 70 -2.157 30.844 55.360 1.00 0.00 ATOM 579 N PHE A 71 -1.552 31.688 54.524 1.00 0.00 ATOM 580 CA PHE A 71 -2.051 33.060 54.335 1.00 0.00 ATOM 581 CB PHE A 71 -1.148 33.830 53.371 1.00 0.00 ATOM 582 CG PHE A 71 0.136 34.304 53.990 1.00 0.00 ATOM 583 CD1 PHE A 71 1.326 33.629 53.759 1.00 0.00 ATOM 584 CD2 PHE A 71 0.156 35.423 54.809 1.00 0.00 ATOM 585 CE1 PHE A 71 2.508 34.065 54.329 1.00 0.00 ATOM 586 CE2 PHE A 71 1.336 35.861 55.379 1.00 0.00 ATOM 587 CZ PHE A 71 2.512 35.181 55.139 1.00 0.00 ATOM 588 O PHE A 71 -4.322 33.864 54.314 1.00 0.00 ATOM 589 C PHE A 71 -3.502 33.106 53.815 1.00 0.00 ATOM 590 N ASN A 72 -3.842 32.145 52.965 1.00 0.00 ATOM 591 CA ASN A 72 -5.196 32.031 52.375 1.00 0.00 ATOM 592 CB ASN A 72 -5.152 31.375 51.007 1.00 0.00 ATOM 593 CG ASN A 72 -4.534 32.237 49.943 1.00 0.00 ATOM 594 ND2 ASN A 72 -4.093 31.601 48.887 1.00 0.00 ATOM 595 OD1 ASN A 72 -4.520 33.469 50.044 1.00 0.00 ATOM 596 O ASN A 72 -7.418 31.270 52.853 1.00 0.00 ATOM 597 C ASN A 72 -6.238 31.276 53.212 1.00 0.00 ATOM 598 N LYS A 73 -5.805 30.639 54.305 1.00 0.00 ATOM 599 CA LYS A 73 -6.723 29.868 55.174 1.00 0.00 ATOM 600 CB LYS A 73 -5.962 29.265 56.356 1.00 0.00 ATOM 601 CG LYS A 73 -6.848 28.613 57.408 1.00 0.00 ATOM 602 CD LYS A 73 -6.049 28.226 58.643 1.00 0.00 ATOM 603 CE LYS A 73 -5.537 29.455 59.380 1.00 0.00 ATOM 604 NZ LYS A 73 -4.772 29.091 60.603 1.00 0.00 ATOM 605 O LYS A 73 -9.047 30.306 55.607 1.00 0.00 ATOM 606 C LYS A 73 -7.889 30.724 55.698 1.00 0.00 ATOM 607 N ASN A 74 -7.568 31.939 56.136 1.00 0.00 ATOM 608 CA ASN A 74 -8.607 32.852 56.669 1.00 0.00 ATOM 609 CB ASN A 74 -8.005 34.089 57.299 1.00 0.00 ATOM 610 CG ASN A 74 -7.337 33.703 58.602 1.00 0.00 ATOM 611 ND2 ASN A 74 -6.409 34.527 58.963 1.00 0.00 ATOM 612 OD1 ASN A 74 -7.576 32.716 59.276 1.00 0.00 ATOM 613 O ASN A 74 -10.825 33.321 55.878 1.00 0.00 ATOM 614 C ASN A 74 -9.621 33.333 55.645 1.00 0.00 ATOM 615 N ILE A 75 -9.161 33.570 54.435 1.00 0.00 ATOM 616 CA ILE A 75 -10.115 33.957 53.378 1.00 0.00 ATOM 617 CB ILE A 75 -9.391 34.317 52.067 1.00 0.00 ATOM 618 CG1 ILE A 75 -8.584 35.606 52.241 1.00 0.00 ATOM 619 CG2 ILE A 75 -10.391 34.459 50.930 1.00 0.00 ATOM 620 CD1 ILE A 75 -7.637 35.892 51.097 1.00 0.00 ATOM 621 O ILE A 75 -12.316 33.094 52.979 1.00 0.00 ATOM 622 C ILE A 75 -11.121 32.838 53.102 1.00 0.00 ATOM 623 N ILE A 76 -10.624 31.611 53.165 1.00 0.00 ATOM 624 CA ILE A 76 -11.521 30.446 53.051 1.00 0.00 ATOM 625 CB ILE A 76 -10.741 29.122 53.145 1.00 0.00 ATOM 626 CG1 ILE A 76 -9.670 29.054 52.052 1.00 0.00 ATOM 627 CG2 ILE A 76 -11.688 27.937 53.040 1.00 0.00 ATOM 628 CD1 ILE A 76 -10.200 29.316 50.661 1.00 0.00 ATOM 629 O ILE A 76 -13.773 30.248 53.836 1.00 0.00 ATOM 630 C ILE A 76 -12.598 30.475 54.140 1.00 0.00 ATOM 631 N SER A 77 -12.167 30.669 55.384 1.00 0.00 ATOM 632 CA SER A 77 -13.105 30.689 56.530 1.00 0.00 ATOM 633 CB SER A 77 -12.390 30.814 57.881 1.00 0.00 ATOM 634 OG SER A 77 -11.757 32.084 57.930 1.00 0.00 ATOM 635 O SER A 77 -15.330 31.593 56.626 1.00 0.00 ATOM 636 C SER A 77 -14.145 31.814 56.414 1.00 0.00 ATOM 637 N SER A 78 -13.705 32.979 55.964 1.00 0.00 ATOM 638 CA SER A 78 -14.591 34.153 55.826 1.00 0.00 ATOM 639 CB SER A 78 -13.811 35.422 55.475 1.00 0.00 ATOM 640 OG SER A 78 -12.957 35.718 56.569 1.00 0.00 ATOM 641 O SER A 78 -16.847 34.029 55.052 1.00 0.00 ATOM 642 C SER A 78 -15.661 33.937 54.755 1.00 0.00 ATOM 643 N THR A 79 -15.228 33.380 53.625 1.00 0.00 ATOM 644 CA THR A 79 -16.155 33.033 52.522 1.00 0.00 ATOM 645 CB THR A 79 -15.393 32.542 51.278 1.00 0.00 ATOM 646 CG2 THR A 79 -16.368 32.142 50.180 1.00 0.00 ATOM 647 OG1 THR A 79 -14.538 33.585 50.795 1.00 0.00 ATOM 648 O THR A 79 -18.336 32.071 52.754 1.00 0.00 ATOM 649 C THR A 79 -17.131 31.960 52.989 1.00 0.00 ATOM 650 N ALA A 80 -16.634 30.972 53.710 1.00 0.00 ATOM 651 CA ALA A 80 -17.467 29.886 54.247 1.00 0.00 ATOM 652 CB ALA A 80 -16.581 28.906 54.985 1.00 0.00 ATOM 653 O ALA A 80 -19.697 30.000 55.095 1.00 0.00 ATOM 654 C ALA A 80 -18.544 30.404 55.203 1.00 0.00 ATOM 655 N LEU A 81 -18.174 31.320 56.091 1.00 0.00 ATOM 656 CA LEU A 81 -19.110 31.953 57.039 1.00 0.00 ATOM 657 CB LEU A 81 -18.321 32.799 58.041 1.00 0.00 ATOM 658 CG LEU A 81 -19.179 33.447 59.129 1.00 0.00 ATOM 659 CD1 LEU A 81 -19.909 32.411 59.987 1.00 0.00 ATOM 660 CD2 LEU A 81 -18.330 34.344 60.032 1.00 0.00 ATOM 661 O LEU A 81 -21.348 32.735 56.623 1.00 0.00 ATOM 662 C LEU A 81 -20.158 32.828 56.333 1.00 0.00 ATOM 663 N PHE A 82 -19.704 33.524 55.299 1.00 0.00 ATOM 664 CA PHE A 82 -20.615 34.274 54.423 1.00 0.00 ATOM 665 CB PHE A 82 -19.751 35.001 53.413 1.00 0.00 ATOM 666 CG PHE A 82 -20.645 35.831 52.513 1.00 0.00 ATOM 667 CD1 PHE A 82 -21.205 37.051 52.893 1.00 0.00 ATOM 668 CD2 PHE A 82 -20.674 35.390 51.211 1.00 0.00 ATOM 669 CE1 PHE A 82 -21.835 37.842 51.969 1.00 0.00 ATOM 670 CE2 PHE A 82 -21.205 36.228 50.288 1.00 0.00 ATOM 671 CZ PHE A 82 -21.813 37.428 50.668 1.00 0.00 ATOM 672 O PHE A 82 -22.778 33.491 53.709 1.00 0.00 ATOM 673 C PHE A 82 -21.559 33.326 53.679 1.00 0.00 ATOM 674 N LEU A 83 -20.965 32.284 53.118 1.00 0.00 ATOM 675 CA LEU A 83 -21.711 31.227 52.418 1.00 0.00 ATOM 676 CB LEU A 83 -20.743 30.183 51.849 1.00 0.00 ATOM 677 CG LEU A 83 -21.403 29.024 51.091 1.00 0.00 ATOM 678 CD1 LEU A 83 -22.316 29.567 49.999 1.00 0.00 ATOM 679 CD2 LEU A 83 -20.329 28.125 50.498 1.00 0.00 ATOM 680 O LEU A 83 -23.872 30.357 52.932 1.00 0.00 ATOM 681 C LEU A 83 -22.726 30.551 53.320 1.00 0.00 ATOM 682 N ALA A 84 -22.282 30.245 54.533 1.00 0.00 ATOM 683 CA ALA A 84 -23.102 29.565 55.554 1.00 0.00 ATOM 684 CB ALA A 84 -22.253 29.170 56.759 1.00 0.00 ATOM 685 O ALA A 84 -25.406 29.997 56.012 1.00 0.00 ATOM 686 C ALA A 84 -24.267 30.445 56.010 1.00 0.00 ATOM 687 N ALA A 85 -23.990 31.733 56.223 1.00 0.00 ATOM 688 CA ALA A 85 -25.023 32.690 56.656 1.00 0.00 ATOM 689 CB ALA A 85 -24.390 34.040 57.009 1.00 0.00 ATOM 690 O ALA A 85 -27.298 32.855 55.866 1.00 0.00 ATOM 691 C ALA A 85 -26.106 32.896 55.593 1.00 0.00 ATOM 692 N LYS A 86 -25.665 32.955 54.344 1.00 0.00 ATOM 693 CA LYS A 86 -26.585 33.085 53.197 1.00 0.00 ATOM 694 CB LYS A 86 -25.799 33.195 51.889 1.00 0.00 ATOM 695 CG LYS A 86 -25.116 34.540 51.677 1.00 0.00 ATOM 696 CD LYS A 86 -24.016 34.444 50.632 1.00 0.00 ATOM 697 CE LYS A 86 -24.585 34.125 49.257 1.00 0.00 ATOM 698 NZ LYS A 86 -23.525 34.077 48.213 1.00 0.00 ATOM 699 O LYS A 86 -28.776 32.113 53.007 1.00 0.00 ATOM 700 C LYS A 86 -27.565 31.913 53.111 1.00 0.00 ATOM 701 N VAL A 87 -27.022 30.713 53.247 1.00 0.00 ATOM 702 CA VAL A 87 -27.829 29.480 53.244 1.00 0.00 ATOM 703 CB VAL A 87 -26.942 28.225 53.351 1.00 0.00 ATOM 704 CG1 VAL A 87 -27.801 26.970 53.420 1.00 0.00 ATOM 705 CG2 VAL A 87 -25.983 28.148 52.171 1.00 0.00 ATOM 706 O VAL A 87 -30.020 29.114 54.167 1.00 0.00 ATOM 707 C VAL A 87 -28.861 29.458 54.405 1.00 0.00 ATOM 708 N GLU A 88 -28.401 29.803 55.606 1.00 0.00 ATOM 709 CA GLU A 88 -29.158 29.777 56.878 1.00 0.00 ATOM 710 CB GLU A 88 -28.288 30.287 58.029 1.00 0.00 ATOM 711 CG GLU A 88 -27.198 29.320 58.470 1.00 0.00 ATOM 712 CD GLU A 88 -27.744 27.932 58.661 1.00 0.00 ATOM 713 OE1 GLU A 88 -28.721 27.788 59.355 1.00 0.00 ATOM 714 OE2 GLU A 88 -27.253 27.030 58.024 1.00 0.00 ATOM 715 O GLU A 88 -31.552 30.158 56.759 1.00 0.00 ATOM 716 C GLU A 88 -30.413 30.622 56.708 1.00 0.00 ATOM 717 N GLU A 89 -30.154 31.822 56.227 1.00 0.00 ATOM 718 CA GLU A 89 -31.206 32.833 56.098 1.00 0.00 ATOM 719 CB GLU A 89 -30.606 34.184 55.702 1.00 0.00 ATOM 720 CG GLU A 89 -29.785 34.852 56.796 1.00 0.00 ATOM 721 CD GLU A 89 -30.609 35.083 58.032 1.00 0.00 ATOM 722 OE1 GLU A 89 -31.664 35.660 57.920 1.00 0.00 ATOM 723 OE2 GLU A 89 -30.240 34.587 59.070 1.00 0.00 ATOM 724 O GLU A 89 -33.461 32.591 55.283 1.00 0.00 ATOM 725 C GLU A 89 -32.268 32.420 55.077 1.00 0.00 ATOM 726 N GLN A 90 -31.826 31.731 54.030 1.00 0.00 ATOM 727 CA GLN A 90 -32.754 31.260 52.993 1.00 0.00 ATOM 728 CB GLN A 90 -31.988 30.864 51.727 1.00 0.00 ATOM 729 CG GLN A 90 -32.875 30.562 50.532 1.00 0.00 ATOM 730 CD GLN A 90 -33.649 31.779 50.064 1.00 0.00 ATOM 731 OE1 GLN A 90 -33.104 32.882 49.974 1.00 0.00 ATOM 732 NE2 GLN A 90 -34.929 31.586 49.767 1.00 0.00 ATOM 733 O GLN A 90 -34.562 29.734 52.660 1.00 0.00 ATOM 734 C GLN A 90 -33.632 30.073 53.386 1.00 0.00 ATOM 735 N ALA A 91 -33.266 29.450 54.498 1.00 0.00 ATOM 736 CA ALA A 91 -33.973 28.235 54.944 1.00 0.00 ATOM 737 CB ALA A 91 -33.409 27.719 56.266 1.00 0.00 ATOM 738 O ALA A 91 -35.843 29.640 55.525 1.00 0.00 ATOM 739 C ALA A 91 -35.460 28.541 55.119 1.00 0.00 ATOM 740 N ARG A 92 -36.298 27.553 54.828 1.00 0.00 ATOM 741 CA ARG A 92 -37.761 27.748 55.015 1.00 0.00 ATOM 742 CB ARG A 92 -38.572 26.601 54.428 1.00 0.00 ATOM 743 CG ARG A 92 -38.591 26.545 52.908 1.00 0.00 ATOM 744 CD ARG A 92 -39.338 25.389 52.348 1.00 0.00 ATOM 745 NE ARG A 92 -39.332 25.315 50.896 1.00 0.00 ATOM 746 CZ ARG A 92 -39.894 24.322 50.179 1.00 0.00 ATOM 747 NH1 ARG A 92 -40.472 23.302 50.772 1.00 0.00 ATOM 748 NH2 ARG A 92 -39.827 24.390 48.860 1.00 0.00 ATOM 749 O ARG A 92 -38.801 28.874 56.893 1.00 0.00 ATOM 750 C ARG A 92 -38.074 27.976 56.492 1.00 0.00 ATOM 751 N LYS A 93 -37.458 27.137 57.314 1.00 0.00 ATOM 752 CA LYS A 93 -37.613 27.213 58.777 1.00 0.00 ATOM 753 CB LYS A 93 -36.861 26.064 59.454 1.00 0.00 ATOM 754 CG LYS A 93 -37.000 26.031 60.971 1.00 0.00 ATOM 755 CD LYS A 93 -36.291 24.824 61.566 1.00 0.00 ATOM 756 CE LYS A 93 -36.395 24.810 63.082 1.00 0.00 ATOM 757 NZ LYS A 93 -35.687 23.645 63.679 1.00 0.00 ATOM 758 O LYS A 93 -37.821 29.256 60.041 1.00 0.00 ATOM 759 C LYS A 93 -37.117 28.559 59.316 1.00 0.00 ATOM 760 N LEU A 94 -35.947 28.951 58.827 1.00 0.00 ATOM 761 CA LEU A 94 -35.311 30.200 59.239 1.00 0.00 ATOM 762 CB LEU A 94 -33.816 30.122 58.886 1.00 0.00 ATOM 763 CG LEU A 94 -33.097 28.946 59.604 1.00 0.00 ATOM 764 CD1 LEU A 94 -31.624 28.832 59.278 1.00 0.00 ATOM 765 CD2 LEU A 94 -33.061 29.077 61.118 1.00 0.00 ATOM 766 O LEU A 94 -36.097 32.419 59.461 1.00 0.00 ATOM 767 C LEU A 94 -36.036 31.449 58.723 1.00 0.00 ATOM 768 N GLU A 95 -36.898 31.276 57.727 1.00 0.00 ATOM 769 CA GLU A 95 -37.796 32.366 57.275 1.00 0.00 ATOM 770 CB GLU A 95 -38.656 31.899 56.099 1.00 0.00 ATOM 771 CG GLU A 95 -39.575 32.970 55.527 1.00 0.00 ATOM 772 CD GLU A 95 -40.347 32.454 54.347 1.00 0.00 ATOM 773 OE1 GLU A 95 -40.157 31.319 53.986 1.00 0.00 ATOM 774 OE2 GLU A 95 -41.211 33.156 53.875 1.00 0.00 ATOM 775 O GLU A 95 -38.771 34.029 58.744 1.00 0.00 ATOM 776 C GLU A 95 -38.677 32.837 58.442 1.00 0.00 ATOM 777 N HIS A 96 -39.175 31.849 59.185 1.00 0.00 ATOM 778 CA HIS A 96 -39.987 32.062 60.396 1.00 0.00 ATOM 779 CB HIS A 96 -40.570 30.736 60.896 1.00 0.00 ATOM 780 CG HIS A 96 -41.384 30.871 62.144 1.00 0.00 ATOM 781 CD2 HIS A 96 -41.127 30.503 63.421 1.00 0.00 ATOM 782 ND1 HIS A 96 -42.637 31.448 62.157 1.00 0.00 ATOM 783 CE1 HIS A 96 -43.114 31.430 63.390 1.00 0.00 ATOM 784 NE2 HIS A 96 -42.217 30.862 64.174 1.00 0.00 ATOM 785 O HIS A 96 -39.622 33.742 62.026 1.00 0.00 ATOM 786 C HIS A 96 -39.185 32.720 61.509 1.00 0.00 ATOM 787 N VAL A 97 -37.989 32.198 61.786 1.00 0.00 ATOM 788 CA VAL A 97 -37.099 32.782 62.815 1.00 0.00 ATOM 789 CB VAL A 97 -35.818 31.946 62.996 1.00 0.00 ATOM 790 CG1 VAL A 97 -34.836 32.666 63.908 1.00 0.00 ATOM 791 CG2 VAL A 97 -36.154 30.572 63.556 1.00 0.00 ATOM 792 O VAL A 97 -36.790 35.111 63.306 1.00 0.00 ATOM 793 C VAL A 97 -36.708 34.228 62.460 1.00 0.00 ATOM 794 N ILE A 98 -36.520 34.459 61.164 1.00 0.00 ATOM 795 CA ILE A 98 -36.226 35.795 60.642 1.00 0.00 ATOM 796 CB ILE A 98 -35.915 35.756 59.134 1.00 0.00 ATOM 797 CG1 ILE A 98 -34.598 35.019 58.879 1.00 0.00 ATOM 798 CG2 ILE A 98 -35.858 37.166 58.567 1.00 0.00 ATOM 799 CD1 ILE A 98 -34.423 34.560 57.450 1.00 0.00 ATOM 800 O ILE A 98 -37.315 37.759 61.556 1.00 0.00 ATOM 801 C ILE A 98 -37.423 36.719 60.911 1.00 0.00 ATOM 802 N LYS A 99 -38.595 36.223 60.520 1.00 0.00 ATOM 803 CA LYS A 99 -39.860 36.966 60.705 1.00 0.00 ATOM 804 CB LYS A 99 -41.012 36.244 60.005 1.00 0.00 ATOM 805 CG LYS A 99 -40.952 36.289 58.483 1.00 0.00 ATOM 806 CD LYS A 99 -42.128 35.553 57.860 1.00 0.00 ATOM 807 CE LYS A 99 -42.055 35.577 56.341 1.00 0.00 ATOM 808 NZ LYS A 99 -43.186 34.836 55.718 1.00 0.00 ATOM 809 O LYS A 99 -40.686 38.245 62.592 1.00 0.00 ATOM 810 C LYS A 99 -40.222 37.177 62.183 1.00 0.00 ATOM 811 N VAL A 100 -39.964 36.178 63.019 1.00 0.00 ATOM 812 CA VAL A 100 -40.107 36.272 64.481 1.00 0.00 ATOM 813 CB VAL A 100 -39.804 34.902 65.107 1.00 0.00 ATOM 814 CG1 VAL A 100 -39.628 35.021 66.630 1.00 0.00 ATOM 815 CG2 VAL A 100 -40.930 33.906 64.842 1.00 0.00 ATOM 816 O VAL A 100 -39.607 38.148 65.881 1.00 0.00 ATOM 817 C VAL A 100 -39.182 37.354 65.050 1.00 0.00 ATOM 818 N ALA A 101 -37.949 37.356 64.543 1.00 0.00 ATOM 819 CA ALA A 101 -36.927 38.323 64.979 1.00 0.00 ATOM 820 CB ALA A 101 -35.535 37.882 64.524 1.00 0.00 ATOM 821 O ALA A 101 -36.436 40.654 64.631 1.00 0.00 ATOM 822 C ALA A 101 -37.237 39.732 64.462 1.00 0.00 ATOM 823 N HIS A 102 -38.397 39.887 63.825 1.00 0.00 ATOM 824 CA HIS A 102 -38.832 41.168 63.277 1.00 0.00 ATOM 825 CB HIS A 102 -39.080 42.180 64.401 1.00 0.00 ATOM 826 CG HIS A 102 -40.106 41.735 65.396 1.00 0.00 ATOM 827 CD2 HIS A 102 -39.993 41.404 66.705 1.00 0.00 ATOM 828 ND1 HIS A 102 -41.439 41.591 65.076 1.00 0.00 ATOM 829 CE1 HIS A 102 -42.104 41.188 66.146 1.00 0.00 ATOM 830 NE2 HIS A 102 -41.250 41.068 67.146 1.00 0.00 ATOM 831 O HIS A 102 -37.338 42.808 62.395 1.00 0.00 ATOM 832 C HIS A 102 -37.761 41.667 62.300 1.00 0.00 ATOM 833 N ALA A 103 -37.207 40.728 61.510 1.00 0.00 ATOM 834 CA ALA A 103 -36.113 41.002 60.552 1.00 0.00 ATOM 835 CB ALA A 103 -36.259 42.346 59.831 1.00 0.00 ATOM 836 O ALA A 103 -33.761 41.118 60.342 1.00 0.00 ATOM 837 C ALA A 103 -34.701 41.061 61.123 1.00 0.00 ATOM 838 N CYS A 104 -34.575 41.235 62.437 1.00 0.00 ATOM 839 CA CYS A 104 -33.288 41.587 63.066 1.00 0.00 ATOM 840 CB CYS A 104 -33.349 41.406 64.576 1.00 0.00 ATOM 841 SG CYS A 104 -32.108 42.469 65.392 1.00 0.00 ATOM 842 O CYS A 104 -31.027 41.415 62.350 1.00 0.00 ATOM 843 C CYS A 104 -32.077 40.809 62.535 1.00 0.00 ATOM 844 N LEU A 105 -32.308 39.541 62.199 1.00 0.00 ATOM 845 CA LEU A 105 -31.297 38.648 61.602 1.00 0.00 ATOM 846 CB LEU A 105 -31.846 37.220 61.496 1.00 0.00 ATOM 847 CG LEU A 105 -32.106 36.519 62.835 1.00 0.00 ATOM 848 CD1 LEU A 105 -32.561 35.086 62.595 1.00 0.00 ATOM 849 CD2 LEU A 105 -30.839 36.549 63.678 1.00 0.00 ATOM 850 O LEU A 105 -31.647 39.708 59.474 1.00 0.00 ATOM 851 C LEU A 105 -30.854 39.150 60.226 1.00 0.00 ATOM 852 N HIS A 106 -29.552 39.064 59.997 1.00 0.00 ATOM 853 CA HIS A 106 -28.964 39.449 58.701 1.00 0.00 ATOM 854 CB HIS A 106 -28.112 40.714 58.847 1.00 0.00 ATOM 855 CG HIS A 106 -28.887 41.913 59.299 1.00 0.00 ATOM 856 CD2 HIS A 106 -28.770 42.686 60.405 1.00 0.00 ATOM 857 ND1 HIS A 106 -29.930 42.441 58.569 1.00 0.00 ATOM 858 CE1 HIS A 106 -30.423 43.490 59.208 1.00 0.00 ATOM 859 NE2 HIS A 106 -29.737 43.658 60.323 1.00 0.00 ATOM 860 O HIS A 106 -27.597 37.513 58.950 1.00 0.00 ATOM 861 C HIS A 106 -28.130 38.280 58.161 1.00 0.00 ATOM 862 N PRO A 107 -27.826 38.275 56.871 1.00 0.00 ATOM 863 CA PRO A 107 -26.754 37.394 56.377 1.00 0.00 ATOM 864 CB PRO A 107 -27.324 37.081 54.961 1.00 0.00 ATOM 865 CG PRO A 107 -28.025 38.371 54.526 1.00 0.00 ATOM 866 CD PRO A 107 -28.639 38.891 55.820 1.00 0.00 ATOM 867 O PRO A 107 -25.197 38.629 55.268 1.00 0.00 ATOM 868 C PRO A 107 -25.460 38.243 56.382 1.00 0.00 ATOM 869 N LEU A 108 -24.661 38.712 57.379 1.00 0.00 ATOM 870 CA LEU A 108 -23.698 39.847 57.157 1.00 0.00 ATOM 871 CB LEU A 108 -22.385 39.580 57.904 1.00 0.00 ATOM 872 CG LEU A 108 -21.680 38.268 57.537 1.00 0.00 ATOM 873 CD1 LEU A 108 -20.240 38.292 58.032 1.00 0.00 ATOM 874 CD2 LEU A 108 -22.437 37.096 58.142 1.00 0.00 ATOM 875 O LEU A 108 -22.964 39.462 54.858 1.00 0.00 ATOM 876 C LEU A 108 -23.248 40.277 55.726 1.00 0.00 ATOM 877 N GLU A 109 -23.087 41.585 55.488 1.00 0.00 ATOM 878 CA GLU A 109 -22.623 42.032 54.155 1.00 0.00 ATOM 879 CB GLU A 109 -22.778 43.549 54.013 1.00 0.00 ATOM 880 CG GLU A 109 -21.774 44.361 54.816 1.00 0.00 ATOM 881 CD GLU A 109 -22.022 45.837 54.669 1.00 0.00 ATOM 882 OE1 GLU A 109 -22.970 46.197 54.016 1.00 0.00 ATOM 883 OE2 GLU A 109 -21.332 46.602 55.303 1.00 0.00 ATOM 884 O GLU A 109 -20.389 41.585 54.874 1.00 0.00 ATOM 885 C GLU A 109 -21.166 41.625 53.920 1.00 0.00 ATOM 886 N PRO A 110 -20.751 41.511 52.650 1.00 0.00 ATOM 887 CA PRO A 110 -19.366 41.189 52.270 1.00 0.00 ATOM 888 CB PRO A 110 -19.443 41.424 50.760 1.00 0.00 ATOM 889 CG PRO A 110 -20.769 40.817 50.381 1.00 0.00 ATOM 890 CD PRO A 110 -21.611 41.499 51.449 1.00 0.00 ATOM 891 O PRO A 110 -17.267 41.609 53.372 1.00 0.00 ATOM 892 C PRO A 110 -18.322 42.077 52.939 1.00 0.00 ATOM 893 N LEU A 111 -18.645 43.364 53.112 1.00 0.00 ATOM 894 CA LEU A 111 -17.748 44.317 53.788 1.00 0.00 ATOM 895 CB LEU A 111 -18.382 45.714 53.816 1.00 0.00 ATOM 896 CG LEU A 111 -18.488 46.410 52.453 1.00 0.00 ATOM 897 CD1 LEU A 111 -19.283 47.701 52.587 1.00 0.00 ATOM 898 CD2 LEU A 111 -17.094 46.688 51.913 1.00 0.00 ATOM 899 O LEU A 111 -16.267 44.116 55.666 1.00 0.00 ATOM 900 C LEU A 111 -17.388 43.888 55.229 1.00 0.00 ATOM 901 N LEU A 112 -18.352 43.276 55.909 1.00 0.00 ATOM 902 CA LEU A 112 -18.140 42.712 57.266 1.00 0.00 ATOM 903 CB LEU A 112 -19.443 42.207 57.879 1.00 0.00 ATOM 904 CG LEU A 112 -20.383 43.364 58.200 1.00 0.00 ATOM 905 CD1 LEU A 112 -21.763 42.885 58.558 1.00 0.00 ATOM 906 CD2 LEU A 112 -19.908 44.157 59.406 1.00 0.00 ATOM 907 O LEU A 112 -16.230 41.551 58.096 1.00 0.00 ATOM 908 C LEU A 112 -17.143 41.565 57.265 1.00 0.00 ATOM 909 N ASP A 113 -17.263 40.717 56.252 1.00 0.00 ATOM 910 CA ASP A 113 -16.319 39.601 56.087 1.00 0.00 ATOM 911 CB ASP A 113 -16.790 38.659 54.975 1.00 0.00 ATOM 912 CG ASP A 113 -17.948 37.751 55.370 1.00 0.00 ATOM 913 OD1 ASP A 113 -17.775 36.954 56.261 1.00 0.00 ATOM 914 OD2 ASP A 113 -19.034 37.967 54.889 1.00 0.00 ATOM 915 O ASP A 113 -13.951 39.590 56.403 1.00 0.00 ATOM 916 C ASP A 113 -14.897 40.071 55.779 1.00 0.00 ATOM 917 N THR A 114 -14.784 41.171 55.051 1.00 0.00 ATOM 918 CA THR A 114 -13.461 41.807 54.798 1.00 0.00 ATOM 919 CB THR A 114 -13.571 42.955 53.778 1.00 0.00 ATOM 920 CG2 THR A 114 -12.264 43.727 53.701 1.00 0.00 ATOM 921 OG1 THR A 114 -13.885 42.421 52.485 1.00 0.00 ATOM 922 O THR A 114 -11.726 42.124 56.467 1.00 0.00 ATOM 923 C THR A 114 -12.894 42.330 56.123 1.00 0.00 ATOM 924 N LYS A 115 -13.733 43.115 56.808 1.00 0.00 ATOM 925 CA LYS A 115 -13.382 43.748 58.102 1.00 0.00 ATOM 926 CB LYS A 115 -14.586 44.493 58.678 1.00 0.00 ATOM 927 CG LYS A 115 -14.969 45.756 57.916 1.00 0.00 ATOM 928 CD LYS A 115 -16.160 46.450 58.559 1.00 0.00 ATOM 929 CE LYS A 115 -16.543 47.712 57.799 1.00 0.00 ATOM 930 NZ LYS A 115 -17.737 48.375 58.388 1.00 0.00 ATOM 931 O LYS A 115 -11.959 43.051 59.902 1.00 0.00 ATOM 932 C LYS A 115 -12.871 42.746 59.131 1.00 0.00 ATOM 933 N CYS A 116 -13.566 41.614 59.244 1.00 0.00 ATOM 934 CA CYS A 116 -13.219 40.566 60.230 1.00 0.00 ATOM 935 CB CYS A 116 -14.348 39.548 60.336 1.00 0.00 ATOM 936 SG CYS A 116 -15.885 40.330 60.950 1.00 0.00 ATOM 937 O CYS A 116 -11.234 39.479 60.976 1.00 0.00 ATOM 938 C CYS A 116 -11.861 39.901 59.998 1.00 0.00 ATOM 939 N ASP A 117 -11.344 40.037 58.776 1.00 0.00 ATOM 940 CA ASP A 117 -9.987 39.594 58.358 1.00 0.00 ATOM 941 CB ASP A 117 -9.961 39.098 56.914 1.00 0.00 ATOM 942 CG ASP A 117 -10.787 37.869 56.669 1.00 0.00 ATOM 943 OD1 ASP A 117 -10.632 36.926 57.469 1.00 0.00 ATOM 944 OD2 ASP A 117 -11.497 37.911 55.650 1.00 0.00 ATOM 945 O ASP A 117 -7.783 40.421 57.927 1.00 0.00 ATOM 946 C ASP A 117 -8.918 40.690 58.334 1.00 0.00 ATOM 947 N ALA A 118 -9.345 41.939 58.454 1.00 0.00 ATOM 948 CA ALA A 118 -8.455 43.136 58.519 1.00 0.00 ATOM 949 CB ALA A 118 -7.211 42.872 59.391 1.00 0.00 ATOM 950 O ALA A 118 -6.904 44.054 56.885 1.00 0.00 ATOM 951 C ALA A 118 -8.043 43.649 57.138 1.00 0.00 ATOM 952 N TYR A 119 -9.002 43.605 56.205 1.00 0.00 ATOM 953 CA TYR A 119 -8.793 44.053 54.809 1.00 0.00 ATOM 954 CB TYR A 119 -8.489 45.552 54.769 1.00 0.00 ATOM 955 CG TYR A 119 -9.577 46.415 55.369 1.00 0.00 ATOM 956 CD1 TYR A 119 -9.443 46.945 56.644 1.00 0.00 ATOM 957 CD2 TYR A 119 -10.732 46.699 54.658 1.00 0.00 ATOM 958 CE1 TYR A 119 -10.433 47.734 57.197 1.00 0.00 ATOM 959 CE2 TYR A 119 -11.728 47.486 55.200 1.00 0.00 ATOM 960 CZ TYR A 119 -11.575 48.003 56.470 1.00 0.00 ATOM 961 OH TYR A 119 -12.565 48.790 57.014 1.00 0.00 ATOM 962 O TYR A 119 -6.882 43.829 53.305 1.00 0.00 ATOM 963 C TYR A 119 -7.659 43.287 54.096 1.00 0.00 ATOM 964 N LEU A 120 -7.565 42.010 54.427 1.00 0.00 ATOM 965 CA LEU A 120 -6.638 41.106 53.747 1.00 0.00 ATOM 966 CB LEU A 120 -6.617 39.742 54.448 1.00 0.00 ATOM 967 CG LEU A 120 -5.599 38.738 53.893 1.00 0.00 ATOM 968 CD1 LEU A 120 -4.189 39.297 54.025 1.00 0.00 ATOM 969 CD2 LEU A 120 -5.729 37.417 54.638 1.00 0.00 ATOM 970 O LEU A 120 -6.106 40.570 51.460 1.00 0.00 ATOM 971 C LEU A 120 -6.968 40.910 52.267 1.00 0.00 ATOM 972 N GLN A 121 -8.263 40.984 52.002 1.00 0.00 ATOM 973 CA GLN A 121 -8.808 40.818 50.649 1.00 0.00 ATOM 974 CB GLN A 121 -9.387 39.411 50.473 1.00 0.00 ATOM 975 CG GLN A 121 -10.562 39.102 51.384 1.00 0.00 ATOM 976 CD GLN A 121 -11.256 37.805 51.014 1.00 0.00 ATOM 977 OE1 GLN A 121 -11.000 37.228 49.953 1.00 0.00 ATOM 978 NE2 GLN A 121 -12.144 37.342 51.885 1.00 0.00 ATOM 979 O GLN A 121 -10.657 42.187 51.313 1.00 0.00 ATOM 980 C GLN A 121 -9.868 41.877 50.424 1.00 0.00 ATOM 981 N GLN A 122 -9.875 42.344 49.190 1.00 0.00 ATOM 982 CA GLN A 122 -10.889 43.305 48.739 1.00 0.00 ATOM 983 CB GLN A 122 -10.511 43.880 47.371 1.00 0.00 ATOM 984 CG GLN A 122 -9.218 44.677 47.367 1.00 0.00 ATOM 985 CD GLN A 122 -9.281 45.888 48.279 1.00 0.00 ATOM 986 OE1 GLN A 122 -10.209 46.697 48.195 1.00 0.00 ATOM 987 NE2 GLN A 122 -8.291 46.021 49.153 1.00 0.00 ATOM 988 O GLN A 122 -12.412 41.443 48.511 1.00 0.00 ATOM 989 C GLN A 122 -12.272 42.664 48.657 1.00 0.00 ATOM 990 N THR A 123 -13.267 43.543 48.571 1.00 0.00 ATOM 991 CA THR A 123 -14.647 43.127 48.259 1.00 0.00 ATOM 992 CB THR A 123 -15.607 44.334 48.184 1.00 0.00 ATOM 993 CG2 THR A 123 -17.049 43.933 47.857 1.00 0.00 ATOM 994 OG1 THR A 123 -15.623 45.004 49.442 1.00 0.00 ATOM 995 O THR A 123 -15.343 41.325 46.821 1.00 0.00 ATOM 996 C THR A 123 -14.695 42.363 46.919 1.00 0.00 ATOM 997 N ARG A 124 -13.899 42.833 45.947 1.00 0.00 ATOM 998 CA ARG A 124 -13.813 42.218 44.598 1.00 0.00 ATOM 999 CB ARG A 124 -12.940 43.028 43.652 1.00 0.00 ATOM 1000 CG ARG A 124 -13.550 44.341 43.186 1.00 0.00 ATOM 1001 CD ARG A 124 -12.826 44.988 42.062 1.00 0.00 ATOM 1002 NE ARG A 124 -11.473 45.412 42.381 1.00 0.00 ATOM 1003 CZ ARG A 124 -11.151 46.600 42.927 1.00 0.00 ATOM 1004 NH1 ARG A 124 -12.075 47.500 43.183 1.00 0.00 ATOM 1005 NH2 ARG A 124 -9.877 46.847 43.179 1.00 0.00 ATOM 1006 O ARG A 124 -13.975 39.880 44.133 1.00 0.00 ATOM 1007 C ARG A 124 -13.350 40.774 44.678 1.00 0.00 ATOM 1008 N GLU A 125 -12.295 40.597 45.472 1.00 0.00 ATOM 1009 CA GLU A 125 -11.696 39.277 45.709 1.00 0.00 ATOM 1010 CB GLU A 125 -10.426 39.408 46.553 1.00 0.00 ATOM 1011 CG GLU A 125 -9.246 40.032 45.820 1.00 0.00 ATOM 1012 CD GLU A 125 -8.873 39.230 44.603 1.00 0.00 ATOM 1013 OE1 GLU A 125 -8.672 38.047 44.735 1.00 0.00 ATOM 1014 OE2 GLU A 125 -8.899 39.777 43.526 1.00 0.00 ATOM 1015 O GLU A 125 -12.903 37.195 45.916 1.00 0.00 ATOM 1016 C GLU A 125 -12.673 38.311 46.399 1.00 0.00 ATOM 1017 N LEU A 126 -13.400 38.823 47.385 1.00 0.00 ATOM 1018 CA LEU A 126 -14.357 37.986 48.132 1.00 0.00 ATOM 1019 CB LEU A 126 -14.851 38.728 49.379 1.00 0.00 ATOM 1020 CG LEU A 126 -15.980 38.033 50.150 1.00 0.00 ATOM 1021 CD1 LEU A 126 -15.517 36.666 50.637 1.00 0.00 ATOM 1022 CD2 LEU A 126 -16.409 38.905 51.321 1.00 0.00 ATOM 1023 O LEU A 126 -15.856 36.380 47.169 1.00 0.00 ATOM 1024 C LEU A 126 -15.550 37.568 47.265 1.00 0.00 ATOM 1025 N VAL A 127 -15.982 38.489 46.397 1.00 0.00 ATOM 1026 CA VAL A 127 -17.055 38.219 45.414 1.00 0.00 ATOM 1027 CB VAL A 127 -17.525 39.540 44.788 1.00 0.00 ATOM 1028 CG1 VAL A 127 -18.459 39.334 43.606 1.00 0.00 ATOM 1029 CG2 VAL A 127 -18.298 40.379 45.793 1.00 0.00 ATOM 1030 O VAL A 127 -17.342 36.270 44.037 1.00 0.00 ATOM 1031 C VAL A 127 -16.595 37.194 44.364 1.00 0.00 ATOM 1032 N ILE A 128 -15.406 37.404 43.812 1.00 0.00 ATOM 1033 CA ILE A 128 -14.810 36.463 42.843 1.00 0.00 ATOM 1034 CB ILE A 128 -13.410 36.923 42.396 1.00 0.00 ATOM 1035 CG1 ILE A 128 -13.509 38.204 41.565 1.00 0.00 ATOM 1036 CG2 ILE A 128 -12.716 35.823 41.607 1.00 0.00 ATOM 1037 CD1 ILE A 128 -12.205 38.960 41.452 1.00 0.00 ATOM 1038 O ILE A 128 -14.998 34.067 42.776 1.00 0.00 ATOM 1039 C ILE A 128 -14.721 35.054 43.454 1.00 0.00 ATOM 1040 N LEU A 129 -14.245 35.006 44.691 1.00 0.00 ATOM 1041 CA LEU A 129 -14.129 33.727 45.412 1.00 0.00 ATOM 1042 CB LEU A 129 -13.376 33.928 46.733 1.00 0.00 ATOM 1043 CG LEU A 129 -13.115 32.650 47.538 1.00 0.00 ATOM 1044 CD1 LEU A 129 -12.437 31.609 46.659 1.00 0.00 ATOM 1045 CD2 LEU A 129 -12.254 32.978 48.749 1.00 0.00 ATOM 1046 O LEU A 129 -15.714 31.899 45.513 1.00 0.00 ATOM 1047 C LEU A 129 -15.498 33.098 45.684 1.00 0.00 ATOM 1048 N GLU A 130 -16.492 33.928 45.917 1.00 0.00 ATOM 1049 CA GLU A 130 -17.867 33.424 46.032 1.00 0.00 ATOM 1050 CB GLU A 130 -18.832 34.568 46.355 1.00 0.00 ATOM 1051 CG GLU A 130 -20.235 34.119 46.736 1.00 0.00 ATOM 1052 CD GLU A 130 -20.213 33.209 47.932 1.00 0.00 ATOM 1053 OE1 GLU A 130 -19.187 33.114 48.563 1.00 0.00 ATOM 1054 OE2 GLU A 130 -21.249 32.696 48.284 1.00 0.00 ATOM 1055 O GLU A 130 -18.759 31.559 44.783 1.00 0.00 ATOM 1056 C GLU A 130 -18.316 32.709 44.746 1.00 0.00 ATOM 1057 N THR A 131 -18.032 33.359 43.615 1.00 0.00 ATOM 1058 CA THR A 131 -18.339 32.801 42.290 1.00 0.00 ATOM 1059 CB THR A 131 -17.961 33.780 41.163 1.00 0.00 ATOM 1060 CG2 THR A 131 -18.234 33.159 39.802 1.00 0.00 ATOM 1061 OG1 THR A 131 -18.724 34.985 41.297 1.00 0.00 ATOM 1062 O THR A 131 -18.218 30.474 41.677 1.00 0.00 ATOM 1063 C THR A 131 -17.603 31.470 42.072 1.00 0.00 ATOM 1064 N ILE A 132 -16.299 31.457 42.378 1.00 0.00 ATOM 1065 CA ILE A 132 -15.479 30.232 42.282 1.00 0.00 ATOM 1066 CB ILE A 132 -14.030 30.486 42.739 1.00 0.00 ATOM 1067 CG1 ILE A 132 -13.315 31.416 41.756 1.00 0.00 ATOM 1068 CG2 ILE A 132 -13.278 29.172 42.877 1.00 0.00 ATOM 1069 CD1 ILE A 132 -11.987 31.934 42.261 1.00 0.00 ATOM 1070 O ILE A 132 -16.110 27.935 42.662 1.00 0.00 ATOM 1071 C ILE A 132 -16.055 29.071 43.114 1.00 0.00 ATOM 1072 N MET A 133 -16.412 29.387 44.356 1.00 0.00 ATOM 1073 CA MET A 133 -16.903 28.378 45.306 1.00 0.00 ATOM 1074 CB MET A 133 -17.078 28.999 46.691 1.00 0.00 ATOM 1075 CG MET A 133 -15.781 29.206 47.457 1.00 0.00 ATOM 1076 SD MET A 133 -14.931 27.656 47.817 1.00 0.00 ATOM 1077 CE MET A 133 -13.740 27.604 46.481 1.00 0.00 ATOM 1078 O MET A 133 -18.353 26.567 44.722 1.00 0.00 ATOM 1079 C MET A 133 -18.216 27.793 44.794 1.00 0.00 ATOM 1080 N LEU A 134 -19.099 28.683 44.335 1.00 0.00 ATOM 1081 CA LEU A 134 -20.369 28.270 43.709 1.00 0.00 ATOM 1082 CB LEU A 134 -21.172 29.503 43.274 1.00 0.00 ATOM 1083 CG LEU A 134 -21.751 30.340 44.421 1.00 0.00 ATOM 1084 CD1 LEU A 134 -22.363 31.622 43.874 1.00 0.00 ATOM 1085 CD2 LEU A 134 -22.793 29.523 45.171 1.00 0.00 ATOM 1086 O LEU A 134 -20.736 26.276 42.428 1.00 0.00 ATOM 1087 C LEU A 134 -20.136 27.346 42.508 1.00 0.00 ATOM 1088 N GLN A 135 -19.161 27.709 41.678 1.00 0.00 ATOM 1089 CA GLN A 135 -18.838 26.907 40.497 1.00 0.00 ATOM 1090 CB GLN A 135 -17.871 27.663 39.581 1.00 0.00 ATOM 1091 CG GLN A 135 -17.714 27.052 38.200 1.00 0.00 ATOM 1092 CD GLN A 135 -16.762 25.872 38.194 1.00 0.00 ATOM 1093 OE1 GLN A 135 -15.765 25.857 38.921 1.00 0.00 ATOM 1094 NE2 GLN A 135 -17.061 24.877 37.367 1.00 0.00 ATOM 1095 O GLN A 135 -18.659 24.559 40.259 1.00 0.00 ATOM 1096 C GLN A 135 -18.221 25.543 40.838 1.00 0.00 ATOM 1097 N THR A 136 -17.309 25.521 41.814 1.00 0.00 ATOM 1098 CA THR A 136 -16.684 24.256 42.248 1.00 0.00 ATOM 1099 CB THR A 136 -15.532 24.505 43.239 1.00 0.00 ATOM 1100 CG2 THR A 136 -14.941 23.184 43.713 1.00 0.00 ATOM 1101 OG1 THR A 136 -14.510 25.280 42.601 1.00 0.00 ATOM 1102 O THR A 136 -17.625 22.112 42.832 1.00 0.00 ATOM 1103 C THR A 136 -17.729 23.335 42.899 1.00 0.00 ATOM 1104 N LEU A 137 -18.570 23.910 43.745 1.00 0.00 ATOM 1105 CA LEU A 137 -19.605 23.145 44.451 1.00 0.00 ATOM 1106 CB LEU A 137 -20.116 23.936 45.661 1.00 0.00 ATOM 1107 CG LEU A 137 -19.079 24.182 46.765 1.00 0.00 ATOM 1108 CD1 LEU A 137 -19.675 25.069 47.851 1.00 0.00 ATOM 1109 CD2 LEU A 137 -18.626 22.851 47.344 1.00 0.00 ATOM 1110 O LEU A 137 -21.647 21.994 43.920 1.00 0.00 ATOM 1111 C LEU A 137 -20.785 22.773 43.538 1.00 0.00 ATOM 1112 N GLY A 138 -20.837 23.380 42.356 1.00 0.00 ATOM 1113 CA GLY A 138 -21.945 23.126 41.424 1.00 0.00 ATOM 1114 O GLY A 138 -24.333 23.331 41.633 1.00 0.00 ATOM 1115 C GLY A 138 -23.230 23.609 42.103 1.00 0.00 ATOM 1116 N PHE A 139 -22.965 24.618 42.946 1.00 0.00 ATOM 1117 CA PHE A 139 -23.926 25.432 43.626 1.00 0.00 ATOM 1118 CB PHE A 139 -24.302 26.202 42.360 1.00 0.00 ATOM 1119 CG PHE A 139 -23.560 26.739 41.155 1.00 0.00 ATOM 1120 CD1 PHE A 139 -23.111 25.829 40.224 1.00 0.00 ATOM 1121 CD2 PHE A 139 -23.190 28.058 41.106 1.00 0.00 ATOM 1122 CE1 PHE A 139 -22.141 26.153 39.324 1.00 0.00 ATOM 1123 CE2 PHE A 139 -22.226 28.401 40.192 1.00 0.00 ATOM 1124 CZ PHE A 139 -21.688 27.454 39.316 1.00 0.00 ATOM 1125 O PHE A 139 -25.917 24.839 44.977 1.00 0.00 ATOM 1126 C PHE A 139 -24.862 24.481 44.455 1.00 0.00 ATOM 1127 N GLU A 140 -24.227 23.418 44.963 1.00 0.00 ATOM 1128 CA GLU A 140 -24.911 22.491 45.881 1.00 0.00 ATOM 1129 CB GLU A 140 -24.603 21.040 45.504 1.00 0.00 ATOM 1130 CG GLU A 140 -25.091 20.632 44.121 1.00 0.00 ATOM 1131 CD GLU A 140 -24.726 19.207 43.812 1.00 0.00 ATOM 1132 OE1 GLU A 140 -24.119 18.575 44.643 1.00 0.00 ATOM 1133 OE2 GLU A 140 -25.150 18.714 42.792 1.00 0.00 ATOM 1134 O GLU A 140 -23.734 22.062 48.006 1.00 0.00 ATOM 1135 C GLU A 140 -24.550 22.705 47.347 1.00 0.00 ATOM 1136 N ILE A 141 -25.313 23.653 47.854 1.00 0.00 ATOM 1137 CA ILE A 141 -25.072 24.269 49.167 1.00 0.00 ATOM 1138 CB ILE A 141 -25.314 25.789 49.131 1.00 0.00 ATOM 1139 CG1 ILE A 141 -26.779 26.088 48.799 1.00 0.00 ATOM 1140 CG2 ILE A 141 -24.389 26.452 48.123 1.00 0.00 ATOM 1141 CD1 ILE A 141 -27.704 26.012 49.992 1.00 0.00 ATOM 1142 O ILE A 141 -25.692 23.987 51.465 1.00 0.00 ATOM 1143 C ILE A 141 -25.930 23.694 50.300 1.00 0.00 ATOM 1144 N THR A 142 -26.974 22.948 49.944 1.00 0.00 ATOM 1145 CA THR A 142 -27.927 22.406 50.945 1.00 0.00 ATOM 1146 CB THR A 142 -29.313 22.148 50.324 1.00 0.00 ATOM 1147 CG2 THR A 142 -29.982 23.460 49.946 1.00 0.00 ATOM 1148 OG1 THR A 142 -29.169 21.334 49.151 1.00 0.00 ATOM 1149 O THR A 142 -28.027 20.035 51.501 1.00 0.00 ATOM 1150 C THR A 142 -27.417 21.108 51.566 1.00 0.00 ATOM 1151 N ILE A 143 -26.248 21.237 52.178 1.00 0.00 ATOM 1152 CA ILE A 143 -25.547 20.086 52.778 1.00 0.00 ATOM 1153 CB ILE A 143 -24.048 20.378 52.934 1.00 0.00 ATOM 1154 CG1 ILE A 143 -23.412 20.651 51.569 1.00 0.00 ATOM 1155 CG2 ILE A 143 -23.301 19.242 53.641 1.00 0.00 ATOM 1156 CD1 ILE A 143 -21.993 21.198 51.697 1.00 0.00 ATOM 1157 O ILE A 143 -26.618 20.626 54.839 1.00 0.00 ATOM 1158 C ILE A 143 -26.174 19.738 54.127 1.00 0.00 ATOM 1159 N GLU A 144 -26.169 18.458 54.457 1.00 0.00 ATOM 1160 CA GLU A 144 -26.416 18.025 55.842 1.00 0.00 ATOM 1161 CB GLU A 144 -26.734 16.528 55.887 1.00 0.00 ATOM 1162 CG GLU A 144 -27.887 16.105 54.988 1.00 0.00 ATOM 1163 CD GLU A 144 -29.209 16.542 55.552 1.00 0.00 ATOM 1164 OE1 GLU A 144 -29.229 17.044 56.650 1.00 0.00 ATOM 1165 OE2 GLU A 144 -30.186 16.481 54.843 1.00 0.00 ATOM 1166 O GLU A 144 -24.046 18.338 56.331 1.00 0.00 ATOM 1167 C GLU A 144 -25.206 18.337 56.741 1.00 0.00 ATOM 1168 N HIS A 145 -25.532 18.702 57.974 1.00 0.00 ATOM 1169 CA HIS A 145 -24.513 19.030 58.991 1.00 0.00 ATOM 1170 CB HIS A 145 -24.576 20.517 59.360 1.00 0.00 ATOM 1171 CG HIS A 145 -24.541 21.432 58.176 1.00 0.00 ATOM 1172 CD2 HIS A 145 -25.436 22.343 57.726 1.00 0.00 ATOM 1173 ND1 HIS A 145 -23.479 21.471 57.297 1.00 0.00 ATOM 1174 CE1 HIS A 145 -23.725 22.368 56.357 1.00 0.00 ATOM 1175 NE2 HIS A 145 -24.904 22.910 56.594 1.00 0.00 ATOM 1176 O HIS A 145 -25.834 17.764 60.533 1.00 0.00 ATOM 1177 C HIS A 145 -24.700 18.163 60.240 1.00 0.00 ATOM 1178 N PRO A 146 -23.689 18.154 61.125 1.00 0.00 ATOM 1179 CA PRO A 146 -23.822 17.585 62.481 1.00 0.00 ATOM 1180 CB PRO A 146 -22.493 17.929 63.161 1.00 0.00 ATOM 1181 CG PRO A 146 -21.493 17.924 62.011 1.00 0.00 ATOM 1182 CD PRO A 146 -22.283 18.538 60.855 1.00 0.00 ATOM 1183 O PRO A 146 -25.790 17.595 63.891 1.00 0.00 ATOM 1184 C PRO A 146 -24.980 18.256 63.237 1.00 0.00 ATOM 1185 N HIS A 147 -25.120 19.577 63.065 1.00 0.00 ATOM 1186 CA HIS A 147 -26.183 20.366 63.720 1.00 0.00 ATOM 1187 CB HIS A 147 -26.052 21.851 63.368 1.00 0.00 ATOM 1188 CG HIS A 147 -26.924 22.744 64.192 1.00 0.00 ATOM 1189 CD2 HIS A 147 -26.643 23.520 65.266 1.00 0.00 ATOM 1190 ND1 HIS A 147 -28.270 22.913 63.939 1.00 0.00 ATOM 1191 CE1 HIS A 147 -28.778 23.753 64.824 1.00 0.00 ATOM 1192 NE2 HIS A 147 -27.813 24.136 65.639 1.00 0.00 ATOM 1193 O HIS A 147 -28.441 19.731 64.218 1.00 0.00 ATOM 1194 C HIS A 147 -27.580 19.860 63.334 1.00 0.00 ATOM 1195 N THR A 148 -27.787 19.626 62.041 1.00 0.00 ATOM 1196 CA THR A 148 -29.088 19.137 61.527 1.00 0.00 ATOM 1197 CB THR A 148 -29.043 18.902 60.007 1.00 0.00 ATOM 1198 CG2 THR A 148 -30.374 18.354 59.512 1.00 0.00 ATOM 1199 OG1 THR A 148 -28.759 20.137 59.337 1.00 0.00 ATOM 1200 O THR A 148 -30.634 17.763 62.731 1.00 0.00 ATOM 1201 C THR A 148 -29.507 17.832 62.225 1.00 0.00 ATOM 1202 N ASP A 149 -28.547 16.933 62.395 1.00 0.00 ATOM 1203 CA ASP A 149 -28.791 15.639 63.066 1.00 0.00 ATOM 1204 CB ASP A 149 -27.635 14.665 62.882 1.00 0.00 ATOM 1205 CG ASP A 149 -27.501 14.321 61.414 1.00 0.00 ATOM 1206 OD1 ASP A 149 -28.568 13.963 60.859 1.00 0.00 ATOM 1207 OD2 ASP A 149 -26.427 14.738 60.937 1.00 0.00 ATOM 1208 O ASP A 149 -29.917 15.215 65.148 1.00 0.00 ATOM 1209 C ASP A 149 -28.993 15.792 64.569 1.00 0.00 ATOM 1210 N VAL A 150 -28.245 16.723 65.155 1.00 0.00 ATOM 1211 CA VAL A 150 -28.357 17.011 66.606 1.00 0.00 ATOM 1212 CB VAL A 150 -27.380 18.113 67.043 1.00 0.00 ATOM 1213 CG1 VAL A 150 -27.707 18.648 68.447 1.00 0.00 ATOM 1214 CG2 VAL A 150 -25.936 17.604 67.040 1.00 0.00 ATOM 1215 O VAL A 150 -30.389 16.889 67.880 1.00 0.00 ATOM 1216 C VAL A 150 -29.798 17.412 66.936 1.00 0.00 ATOM 1217 N VAL A 151 -30.288 18.409 66.211 1.00 0.00 ATOM 1218 CA VAL A 151 -31.625 18.972 66.466 1.00 0.00 ATOM 1219 CB VAL A 151 -31.974 20.081 65.455 1.00 0.00 ATOM 1220 CG1 VAL A 151 -33.428 20.503 65.607 1.00 0.00 ATOM 1221 CG2 VAL A 151 -31.051 21.278 65.638 1.00 0.00 ATOM 1222 O VAL A 151 -33.551 17.777 67.222 1.00 0.00 ATOM 1223 C VAL A 151 -32.664 17.855 66.398 1.00 0.00 ATOM 1224 N LYS A 152 -32.524 16.946 65.454 1.00 0.00 ATOM 1225 CA LYS A 152 -33.438 15.793 65.380 1.00 0.00 ATOM 1226 CB LYS A 152 -33.191 14.995 64.098 1.00 0.00 ATOM 1227 CG LYS A 152 -34.124 13.808 63.907 1.00 0.00 ATOM 1228 CD LYS A 152 -35.558 14.262 63.676 1.00 0.00 ATOM 1229 CE LYS A 152 -36.468 13.086 63.359 1.00 0.00 ATOM 1230 NZ LYS A 152 -37.875 13.516 63.135 1.00 0.00 ATOM 1231 O LYS A 152 -34.251 14.395 67.195 1.00 0.00 ATOM 1232 C LYS A 152 -33.291 14.877 66.603 1.00 0.00 ATOM 1233 N CYS A 153 -32.067 14.609 67.010 1.00 0.00 ATOM 1234 CA CYS A 153 -31.808 13.754 68.185 1.00 0.00 ATOM 1235 CB CYS A 153 -30.309 13.546 68.312 1.00 0.00 ATOM 1236 SG CYS A 153 -29.666 12.541 66.927 1.00 0.00 ATOM 1237 O CYS A 153 -32.836 13.545 70.352 1.00 0.00 ATOM 1238 C CYS A 153 -32.368 14.296 69.494 1.00 0.00 ATOM 1239 N THR A 154 -32.316 15.617 69.621 1.00 0.00 ATOM 1240 CA THR A 154 -32.795 16.330 70.816 1.00 0.00 ATOM 1241 CB THR A 154 -32.564 17.849 70.699 1.00 0.00 ATOM 1242 CG2 THR A 154 -33.124 18.568 71.917 1.00 0.00 ATOM 1243 OG1 THR A 154 -31.158 18.113 70.597 1.00 0.00 ATOM 1244 O THR A 154 -34.678 15.890 72.204 1.00 0.00 ATOM 1245 C THR A 154 -34.287 16.070 71.060 1.00 0.00 ATOM 1246 N GLN A 155 -35.005 15.791 69.987 1.00 0.00 ATOM 1247 CA GLN A 155 -36.432 15.467 70.046 1.00 0.00 ATOM 1248 CB GLN A 155 -37.004 15.308 68.635 1.00 0.00 ATOM 1249 CG GLN A 155 -37.094 16.607 67.850 1.00 0.00 ATOM 1250 CD GLN A 155 -37.627 16.397 66.445 1.00 0.00 ATOM 1251 OE1 GLN A 155 -37.941 15.274 66.047 1.00 0.00 ATOM 1252 NE2 GLN A 155 -37.727 17.481 65.684 1.00 0.00 ATOM 1253 O GLN A 155 -37.760 13.984 71.368 1.00 0.00 ATOM 1254 C GLN A 155 -36.661 14.172 70.861 1.00 0.00 ATOM 1255 N LEU A 156 -35.630 13.356 71.115 1.00 0.00 ATOM 1256 CA LEU A 156 -35.726 12.079 71.852 1.00 0.00 ATOM 1257 CB LEU A 156 -34.885 10.997 71.161 1.00 0.00 ATOM 1258 CG LEU A 156 -35.357 10.641 69.756 1.00 0.00 ATOM 1259 CD1 LEU A 156 -34.356 9.649 69.197 1.00 0.00 ATOM 1260 CD2 LEU A 156 -36.761 10.028 69.737 1.00 0.00 ATOM 1261 O LEU A 156 -35.250 11.060 73.975 1.00 0.00 ATOM 1262 C LEU A 156 -35.311 12.104 73.339 1.00 0.00 ATOM 1263 N VAL A 157 -35.056 13.287 73.861 1.00 0.00 ATOM 1264 CA VAL A 157 -34.558 13.462 75.257 1.00 0.00 ATOM 1265 CB VAL A 157 -33.956 14.863 75.471 1.00 0.00 ATOM 1266 CG1 VAL A 157 -35.058 15.909 75.551 1.00 0.00 ATOM 1267 CG2 VAL A 157 -33.104 14.892 76.731 1.00 0.00 ATOM 1268 O VAL A 157 -36.657 13.927 76.344 1.00 0.00 ATOM 1269 C VAL A 157 -35.654 13.243 76.309 1.00 0.00 ATOM 1270 N ARG A 158 -35.344 12.460 77.333 1.00 0.00 ATOM 1271 CA ARG A 158 -36.267 12.311 78.476 1.00 0.00 ATOM 1272 CB ARG A 158 -36.107 10.966 79.171 1.00 0.00 ATOM 1273 CG ARG A 158 -36.492 9.761 78.327 1.00 0.00 ATOM 1274 CD ARG A 158 -36.268 8.452 78.993 1.00 0.00 ATOM 1275 NE ARG A 158 -37.082 8.232 80.178 1.00 0.00 ATOM 1276 CZ ARG A 158 -37.034 7.124 80.944 1.00 0.00 ATOM 1277 NH1 ARG A 158 -36.243 6.121 80.635 1.00 0.00 ATOM 1278 NH2 ARG A 158 -37.822 7.064 82.003 1.00 0.00 ATOM 1279 O ARG A 158 -36.963 13.482 80.458 1.00 0.00 ATOM 1280 C ARG A 158 -36.185 13.438 79.517 1.00 0.00 ATOM 1281 N ALA A 159 -35.267 14.371 79.305 1.00 0.00 ATOM 1282 CA ALA A 159 -35.036 15.476 80.249 1.00 0.00 ATOM 1283 CB ALA A 159 -33.543 15.794 80.246 1.00 0.00 ATOM 1284 O ALA A 159 -36.357 16.912 78.799 1.00 0.00 ATOM 1285 C ALA A 159 -35.847 16.733 79.907 1.00 0.00 ATOM 1286 N SER A 160 -35.996 17.592 80.909 1.00 0.00 ATOM 1287 CA SER A 160 -36.655 18.896 80.737 1.00 0.00 ATOM 1288 CB SER A 160 -36.838 19.570 82.082 1.00 0.00 ATOM 1289 OG SER A 160 -37.661 18.825 82.936 1.00 0.00 ATOM 1290 O SER A 160 -34.613 19.629 79.660 1.00 0.00 ATOM 1291 C SER A 160 -35.826 19.768 79.786 1.00 0.00 ATOM 1292 N LYS A 161 -36.491 20.725 79.169 1.00 0.00 ATOM 1293 CA LYS A 161 -35.849 21.680 78.240 1.00 0.00 ATOM 1294 CB LYS A 161 -36.895 22.605 77.616 1.00 0.00 ATOM 1295 CG LYS A 161 -37.824 21.923 76.622 1.00 0.00 ATOM 1296 CD LYS A 161 -38.837 22.903 76.048 1.00 0.00 ATOM 1297 CE LYS A 161 -39.774 22.220 75.062 1.00 0.00 ATOM 1298 NZ LYS A 161 -40.790 23.161 74.516 1.00 0.00 ATOM 1299 O LYS A 161 -33.790 22.824 78.160 1.00 0.00 ATOM 1300 C LYS A 161 -34.760 22.549 78.862 1.00 0.00 ATOM 1301 N ASP A 162 -34.917 22.892 80.134 1.00 0.00 ATOM 1302 CA ASP A 162 -33.847 23.653 80.825 1.00 0.00 ATOM 1303 CB ASP A 162 -34.330 24.134 82.195 1.00 0.00 ATOM 1304 CG ASP A 162 -35.336 25.276 82.143 1.00 0.00 ATOM 1305 OD1 ASP A 162 -35.491 25.858 81.096 1.00 0.00 ATOM 1306 OD2 ASP A 162 -36.052 25.453 83.100 1.00 0.00 ATOM 1307 O ASP A 162 -31.490 23.190 80.592 1.00 0.00 ATOM 1308 C ASP A 162 -32.583 22.802 80.975 1.00 0.00 ATOM 1309 N LEU A 163 -32.816 21.526 81.280 1.00 0.00 ATOM 1310 CA LEU A 163 -31.731 20.539 81.375 1.00 0.00 ATOM 1311 CB LEU A 163 -32.249 19.237 82.003 1.00 0.00 ATOM 1312 CG LEU A 163 -32.788 19.373 83.433 1.00 0.00 ATOM 1313 CD1 LEU A 163 -33.609 18.144 83.799 1.00 0.00 ATOM 1314 CD2 LEU A 163 -31.625 19.552 84.398 1.00 0.00 ATOM 1315 O LEU A 163 -29.895 20.111 79.885 1.00 0.00 ATOM 1316 C LEU A 163 -31.108 20.251 80.012 1.00 0.00 ATOM 1317 N ALA A 164 -31.961 20.147 78.997 1.00 0.00 ATOM 1318 CA ALA A 164 -31.524 19.827 77.638 1.00 0.00 ATOM 1319 CB ALA A 164 -32.708 19.656 76.693 1.00 0.00 ATOM 1320 O ALA A 164 -29.535 20.621 76.681 1.00 0.00 ATOM 1321 C ALA A 164 -30.642 20.949 77.115 1.00 0.00 ATOM 1322 N GLN A 165 -31.043 22.185 77.373 1.00 0.00 ATOM 1323 CA GLN A 165 -30.336 23.309 76.781 1.00 0.00 ATOM 1324 CB GLN A 165 -30.868 24.631 77.339 1.00 0.00 ATOM 1325 CG GLN A 165 -32.278 24.974 76.892 1.00 0.00 ATOM 1326 CD GLN A 165 -32.384 25.138 75.386 1.00 0.00 ATOM 1327 OE1 GLN A 165 -33.121 24.408 74.718 1.00 0.00 ATOM 1328 NE2 GLN A 165 -31.642 26.097 74.844 1.00 0.00 ATOM 1329 O GLN A 165 -28.322 24.117 76.074 1.00 0.00 ATOM 1330 C GLN A 165 -28.808 23.397 76.924 1.00 0.00 ATOM 1331 N THR A 166 -27.938 22.542 77.478 1.00 0.00 ATOM 1332 CA THR A 166 -26.547 23.081 77.561 1.00 0.00 ATOM 1333 CB THR A 166 -26.268 23.718 78.936 1.00 0.00 ATOM 1334 CG2 THR A 166 -26.866 22.871 80.047 1.00 0.00 ATOM 1335 OG1 THR A 166 -24.853 23.832 79.136 1.00 0.00 ATOM 1336 O THR A 166 -24.336 22.807 76.711 1.00 0.00 ATOM 1337 C THR A 166 -25.271 22.358 77.376 1.00 0.00 ATOM 1338 N SER A 167 -25.301 21.303 78.154 1.00 0.00 ATOM 1339 CA SER A 167 -24.153 20.412 78.294 1.00 0.00 ATOM 1340 CB SER A 167 -24.444 19.406 79.403 1.00 0.00 ATOM 1341 OG SER A 167 -24.340 20.054 80.653 1.00 0.00 ATOM 1342 O SER A 167 -22.700 19.760 76.499 1.00 0.00 ATOM 1343 C SER A 167 -23.844 19.733 76.964 1.00 0.00 ATOM 1344 N TYR A 168 -24.902 19.377 76.246 1.00 0.00 ATOM 1345 CA TYR A 168 -24.844 18.818 74.887 1.00 0.00 ATOM 1346 CB TYR A 168 -26.164 18.708 74.138 1.00 0.00 ATOM 1347 CG TYR A 168 -27.202 17.777 74.659 1.00 0.00 ATOM 1348 CD1 TYR A 168 -28.497 18.021 74.287 1.00 0.00 ATOM 1349 CD2 TYR A 168 -26.885 16.667 75.384 1.00 0.00 ATOM 1350 CE1 TYR A 168 -29.508 17.179 74.693 1.00 0.00 ATOM 1351 CE2 TYR A 168 -27.883 15.825 75.811 1.00 0.00 ATOM 1352 CZ TYR A 168 -29.189 16.084 75.469 1.00 0.00 ATOM 1353 OH TYR A 168 -30.143 15.206 75.835 1.00 0.00 ATOM 1354 O TYR A 168 -23.255 19.444 73.233 1.00 0.00 ATOM 1355 C TYR A 168 -24.162 19.799 73.976 1.00 0.00 ATOM 1356 N PHE A 169 -24.693 21.022 74.012 1.00 0.00 ATOM 1357 CA PHE A 169 -24.240 22.082 73.105 1.00 0.00 ATOM 1358 CB PHE A 169 -25.038 23.366 73.343 1.00 0.00 ATOM 1359 CG PHE A 169 -26.472 23.277 72.905 1.00 0.00 ATOM 1360 CD1 PHE A 169 -26.997 22.081 72.438 1.00 0.00 ATOM 1361 CD2 PHE A 169 -27.299 24.388 72.962 1.00 0.00 ATOM 1362 CE1 PHE A 169 -28.317 21.999 72.034 1.00 0.00 ATOM 1363 CE2 PHE A 169 -28.620 24.308 72.560 1.00 0.00 ATOM 1364 CZ PHE A 169 -29.128 23.111 72.096 1.00 0.00 ATOM 1365 O PHE A 169 -22.003 22.436 72.333 1.00 0.00 ATOM 1366 C PHE A 169 -22.755 22.333 73.293 1.00 0.00 ATOM 1367 N MET A 170 -22.363 22.407 74.565 1.00 0.00 ATOM 1368 CA MET A 170 -20.950 22.582 74.936 1.00 0.00 ATOM 1369 CB MET A 170 -20.808 22.646 76.455 1.00 0.00 ATOM 1370 CG MET A 170 -19.370 22.717 76.950 1.00 0.00 ATOM 1371 SD MET A 170 -18.515 21.134 76.831 1.00 0.00 ATOM 1372 CE MET A 170 -19.318 20.217 78.145 1.00 0.00 ATOM 1373 O MET A 170 -19.164 21.710 73.589 1.00 0.00 ATOM 1374 C MET A 170 -20.070 21.452 74.373 1.00 0.00 ATOM 1375 N ALA A 171 -20.444 20.220 74.674 1.00 0.00 ATOM 1376 CA ALA A 171 -19.635 19.042 74.274 1.00 0.00 ATOM 1377 CB ALA A 171 -20.205 17.788 74.927 1.00 0.00 ATOM 1378 O ALA A 171 -18.459 18.694 72.206 1.00 0.00 ATOM 1379 C ALA A 171 -19.551 18.857 72.748 1.00 0.00 ATOM 1380 N THR A 172 -20.679 19.088 72.083 1.00 0.00 ATOM 1381 CA THR A 172 -20.770 19.038 70.605 1.00 0.00 ATOM 1382 CB THR A 172 -22.206 19.275 70.098 1.00 0.00 ATOM 1383 CG2 THR A 172 -22.317 19.228 68.570 1.00 0.00 ATOM 1384 OG1 THR A 172 -23.031 18.244 70.625 1.00 0.00 ATOM 1385 O THR A 172 -19.073 19.796 69.079 1.00 0.00 ATOM 1386 C THR A 172 -19.838 20.078 69.993 1.00 0.00 ATOM 1387 N ASN A 173 -19.850 21.265 70.579 1.00 0.00 ATOM 1388 CA ASN A 173 -19.022 22.370 70.090 1.00 0.00 ATOM 1389 CB ASN A 173 -19.389 23.680 70.763 1.00 0.00 ATOM 1390 CG ASN A 173 -20.703 24.249 70.304 1.00 0.00 ATOM 1391 ND2 ASN A 173 -21.218 25.171 71.074 1.00 0.00 ATOM 1392 OD1 ASN A 173 -21.205 23.912 69.225 1.00 0.00 ATOM 1393 O ASN A 173 -16.775 22.377 69.319 1.00 0.00 ATOM 1394 C ASN A 173 -17.540 22.144 70.251 1.00 0.00 ATOM 1395 N SER A 174 -17.200 21.609 71.420 1.00 0.00 ATOM 1396 CA SER A 174 -15.813 21.282 71.758 1.00 0.00 ATOM 1397 CB SER A 174 -15.741 20.687 73.151 1.00 0.00 ATOM 1398 OG SER A 174 -16.396 19.450 73.228 1.00 0.00 ATOM 1399 O SER A 174 -14.036 20.396 70.522 1.00 0.00 ATOM 1400 C SER A 174 -15.219 20.328 70.736 1.00 0.00 ATOM 1401 N LEU A 175 -16.011 19.536 70.046 1.00 0.00 ATOM 1402 CA LEU A 175 -15.408 18.702 68.988 1.00 0.00 ATOM 1403 CB LEU A 175 -16.531 17.662 68.657 1.00 0.00 ATOM 1404 CG LEU A 175 -16.981 16.837 69.892 1.00 0.00 ATOM 1405 CD1 LEU A 175 -18.252 16.058 69.634 1.00 0.00 ATOM 1406 CD2 LEU A 175 -15.994 15.734 70.268 1.00 0.00 ATOM 1407 O LEU A 175 -14.491 18.525 66.819 1.00 0.00 ATOM 1408 C LEU A 175 -14.537 19.290 67.781 1.00 0.00 ATOM 1409 N HIS A 176 -13.821 20.439 67.539 1.00 0.00 ATOM 1410 CA HIS A 176 -12.411 20.964 67.705 1.00 0.00 ATOM 1411 CB HIS A 176 -12.155 21.561 69.087 1.00 0.00 ATOM 1412 CG HIS A 176 -10.850 22.252 69.403 1.00 0.00 ATOM 1413 CD2 HIS A 176 -10.623 23.537 69.205 1.00 0.00 ATOM 1414 ND1 HIS A 176 -9.794 21.675 69.953 1.00 0.00 ATOM 1415 CE1 HIS A 176 -8.887 22.622 70.114 1.00 0.00 ATOM 1416 NE2 HIS A 176 -9.395 23.762 69.653 1.00 0.00 ATOM 1417 O HIS A 176 -10.303 20.666 66.516 1.00 0.00 ATOM 1418 C HIS A 176 -11.167 20.183 67.246 1.00 0.00 ATOM 1419 N LEU A 177 -11.228 18.908 67.582 1.00 0.00 ATOM 1420 CA LEU A 177 -10.148 17.951 67.349 1.00 0.00 ATOM 1421 CB LEU A 177 -9.885 17.130 68.618 1.00 0.00 ATOM 1422 CG LEU A 177 -9.710 17.950 69.903 1.00 0.00 ATOM 1423 CD1 LEU A 177 -9.506 17.022 71.092 1.00 0.00 ATOM 1424 CD2 LEU A 177 -8.525 18.893 69.746 1.00 0.00 ATOM 1425 O LEU A 177 -11.120 15.999 66.288 1.00 0.00 ATOM 1426 C LEU A 177 -10.448 17.016 66.178 1.00 0.00 ATOM 1427 N THR A 178 -9.862 17.347 65.032 1.00 0.00 ATOM 1428 CA THR A 178 -9.990 16.476 63.841 1.00 0.00 ATOM 1429 CB THR A 178 -9.256 17.097 62.655 1.00 0.00 ATOM 1430 CG2 THR A 178 -9.793 18.457 62.221 1.00 0.00 ATOM 1431 OG1 THR A 178 -7.918 17.260 63.058 1.00 0.00 ATOM 1432 O THR A 178 -9.931 14.089 63.601 1.00 0.00 ATOM 1433 C THR A 178 -9.421 15.073 64.120 1.00 0.00 ATOM 1434 N THR A 179 -8.367 15.011 64.930 1.00 0.00 ATOM 1435 CA THR A 179 -8.029 13.712 65.518 1.00 0.00 ATOM 1436 CB THR A 179 -6.530 13.396 65.370 1.00 0.00 ATOM 1437 CG2 THR A 179 -6.199 12.060 66.015 1.00 0.00 ATOM 1438 OG1 THR A 179 -6.182 13.351 63.981 1.00 0.00 ATOM 1439 O THR A 179 -7.919 14.428 67.803 1.00 0.00 ATOM 1440 C THR A 179 -8.394 13.624 66.997 1.00 0.00 ATOM 1441 N PHE A 180 -9.224 12.628 67.307 1.00 0.00 ATOM 1442 CA PHE A 180 -9.743 11.522 66.461 1.00 0.00 ATOM 1443 CB PHE A 180 -9.808 10.234 67.265 1.00 0.00 ATOM 1444 CG PHE A 180 -8.475 9.753 67.774 1.00 0.00 ATOM 1445 CD1 PHE A 180 -8.175 9.989 69.106 1.00 0.00 ATOM 1446 CD2 PHE A 180 -7.628 9.081 66.918 1.00 0.00 ATOM 1447 CE1 PHE A 180 -6.970 9.532 69.594 1.00 0.00 ATOM 1448 CE2 PHE A 180 -6.426 8.618 67.427 1.00 0.00 ATOM 1449 CZ PHE A 180 -6.109 8.860 68.758 1.00 0.00 ATOM 1450 O PHE A 180 -11.701 10.653 65.349 1.00 0.00 ATOM 1451 C PHE A 180 -11.182 11.616 65.918 1.00 0.00 ATOM 1452 N CYS A 181 -11.789 12.795 65.956 1.00 0.00 ATOM 1453 CA CYS A 181 -13.193 12.984 65.526 1.00 0.00 ATOM 1454 CB CYS A 181 -13.733 14.348 65.916 1.00 0.00 ATOM 1455 SG CYS A 181 -13.869 14.468 67.728 1.00 0.00 ATOM 1456 O CYS A 181 -14.588 12.398 63.671 1.00 0.00 ATOM 1457 C CYS A 181 -13.486 12.801 64.036 1.00 0.00 ATOM 1458 N LEU A 182 -12.493 13.086 63.194 1.00 0.00 ATOM 1459 CA LEU A 182 -12.651 12.860 61.740 1.00 0.00 ATOM 1460 CB LEU A 182 -11.370 13.264 60.998 1.00 0.00 ATOM 1461 CG LEU A 182 -11.142 14.775 60.864 1.00 0.00 ATOM 1462 CD1 LEU A 182 -9.877 15.041 60.060 1.00 0.00 ATOM 1463 CD2 LEU A 182 -12.350 15.415 60.198 1.00 0.00 ATOM 1464 O LEU A 182 -13.555 11.070 60.384 1.00 0.00 ATOM 1465 C LEU A 182 -13.004 11.397 61.437 1.00 0.00 ATOM 1466 N GLN A 183 -12.685 10.551 62.411 1.00 0.00 ATOM 1467 CA GLN A 183 -12.958 9.103 62.395 1.00 0.00 ATOM 1468 CB GLN A 183 -12.153 8.393 63.487 1.00 0.00 ATOM 1469 CG GLN A 183 -10.648 8.459 63.293 1.00 0.00 ATOM 1470 CD GLN A 183 -10.206 7.832 61.984 1.00 0.00 ATOM 1471 OE1 GLN A 183 -10.630 6.727 61.634 1.00 0.00 ATOM 1472 NE2 GLN A 183 -9.344 8.532 61.254 1.00 0.00 ATOM 1473 O GLN A 183 -14.887 7.655 62.163 1.00 0.00 ATOM 1474 C GLN A 183 -14.437 8.727 62.581 1.00 0.00 ATOM 1475 N TYR A 184 -15.219 9.605 63.209 1.00 0.00 ATOM 1476 CA TYR A 184 -16.596 9.282 63.592 1.00 0.00 ATOM 1477 CB TYR A 184 -16.792 9.474 65.098 1.00 0.00 ATOM 1478 CG TYR A 184 -15.826 8.679 65.948 1.00 0.00 ATOM 1479 CD1 TYR A 184 -14.634 9.236 66.382 1.00 0.00 ATOM 1480 CD2 TYR A 184 -16.114 7.373 66.316 1.00 0.00 ATOM 1481 CE1 TYR A 184 -13.749 8.513 67.158 1.00 0.00 ATOM 1482 CE2 TYR A 184 -15.236 6.640 67.092 1.00 0.00 ATOM 1483 CZ TYR A 184 -14.054 7.215 67.513 1.00 0.00 ATOM 1484 OH TYR A 184 -13.177 6.491 68.287 1.00 0.00 ATOM 1485 O TYR A 184 -17.354 11.296 62.513 1.00 0.00 ATOM 1486 C TYR A 184 -17.608 10.134 62.823 1.00 0.00 ATOM 1487 N LYS A 185 -18.731 9.502 62.528 1.00 0.00 ATOM 1488 CA LYS A 185 -19.889 10.182 61.900 1.00 0.00 ATOM 1489 CB LYS A 185 -20.902 9.155 61.389 1.00 0.00 ATOM 1490 CG LYS A 185 -20.403 8.306 60.227 1.00 0.00 ATOM 1491 CD LYS A 185 -21.467 7.321 59.766 1.00 0.00 ATOM 1492 CE LYS A 185 -20.980 6.491 58.587 1.00 0.00 ATOM 1493 NZ LYS A 185 -22.012 5.523 58.125 1.00 0.00 ATOM 1494 O LYS A 185 -20.569 10.901 64.080 1.00 0.00 ATOM 1495 C LYS A 185 -20.584 11.154 62.869 1.00 0.00 ATOM 1496 N PRO A 186 -21.261 12.200 62.353 1.00 0.00 ATOM 1497 CA PRO A 186 -22.039 13.153 63.166 1.00 0.00 ATOM 1498 CB PRO A 186 -22.684 14.124 62.186 1.00 0.00 ATOM 1499 CG PRO A 186 -21.727 14.100 61.004 1.00 0.00 ATOM 1500 CD PRO A 186 -21.224 12.658 60.953 1.00 0.00 ATOM 1501 O PRO A 186 -23.238 12.850 65.155 1.00 0.00 ATOM 1502 C PRO A 186 -23.179 12.540 63.968 1.00 0.00 ATOM 1503 N THR A 187 -24.012 11.668 63.384 1.00 0.00 ATOM 1504 CA THR A 187 -25.107 11.048 64.169 1.00 0.00 ATOM 1505 CB THR A 187 -25.909 10.042 63.322 1.00 0.00 ATOM 1506 CG2 THR A 187 -26.826 9.211 64.207 1.00 0.00 ATOM 1507 OG1 THR A 187 -26.695 10.746 62.354 1.00 0.00 ATOM 1508 O THR A 187 -25.169 10.313 66.482 1.00 0.00 ATOM 1509 C THR A 187 -24.569 10.338 65.407 1.00 0.00 ATOM 1510 N VAL A 188 -23.334 9.866 65.231 1.00 0.00 ATOM 1511 CA VAL A 188 -22.526 9.201 66.270 1.00 0.00 ATOM 1512 CB VAL A 188 -21.306 8.482 65.663 1.00 0.00 ATOM 1513 CG1 VAL A 188 -20.469 7.839 66.757 1.00 0.00 ATOM 1514 CG2 VAL A 188 -21.752 7.437 64.652 1.00 0.00 ATOM 1515 O VAL A 188 -22.209 10.051 68.497 1.00 0.00 ATOM 1516 C VAL A 188 -22.070 10.241 67.295 1.00 0.00 ATOM 1517 N ILE A 189 -21.449 11.304 66.793 1.00 0.00 ATOM 1518 CA ILE A 189 -21.023 12.428 67.640 1.00 0.00 ATOM 1519 CB ILE A 189 -20.475 13.594 66.798 1.00 0.00 ATOM 1520 CG1 ILE A 189 -19.106 13.237 66.216 1.00 0.00 ATOM 1521 CG2 ILE A 189 -20.389 14.861 67.636 1.00 0.00 ATOM 1522 CD1 ILE A 189 -18.618 14.204 65.162 1.00 0.00 ATOM 1523 O ILE A 189 -22.044 13.051 69.734 1.00 0.00 ATOM 1524 C ILE A 189 -22.165 12.950 68.518 1.00 0.00 ATOM 1525 N ALA A 190 -23.268 13.212 67.839 1.00 0.00 ATOM 1526 CA ALA A 190 -24.511 13.693 68.485 1.00 0.00 ATOM 1527 CB ALA A 190 -25.609 13.842 67.440 1.00 0.00 ATOM 1528 O ALA A 190 -25.279 13.131 70.678 1.00 0.00 ATOM 1529 C ALA A 190 -24.961 12.714 69.564 1.00 0.00 ATOM 1530 N CYS A 191 -24.801 11.413 69.291 1.00 0.00 ATOM 1531 CA CYS A 191 -25.180 10.374 70.263 1.00 0.00 ATOM 1532 CB CYS A 191 -25.100 8.990 69.644 1.00 0.00 ATOM 1533 SG CYS A 191 -25.758 7.818 70.882 1.00 0.00 ATOM 1534 O CYS A 191 -24.825 10.439 72.639 1.00 0.00 ATOM 1535 C CYS A 191 -24.316 10.409 71.519 1.00 0.00 ATOM 1536 N VAL A 192 -23.008 10.454 71.289 1.00 0.00 ATOM 1537 CA VAL A 192 -22.035 10.568 72.388 1.00 0.00 ATOM 1538 CB VAL A 192 -20.612 10.509 71.830 1.00 0.00 ATOM 1539 CG1 VAL A 192 -19.550 10.871 72.868 1.00 0.00 ATOM 1540 CG2 VAL A 192 -20.372 9.088 71.362 1.00 0.00 ATOM 1541 O VAL A 192 -22.316 11.792 74.426 1.00 0.00 ATOM 1542 C VAL A 192 -22.255 11.844 73.212 1.00 0.00 ATOM 1543 N CYS A 193 -22.465 12.951 72.497 1.00 0.00 ATOM 1544 CA CYS A 193 -22.678 14.261 73.125 1.00 0.00 ATOM 1545 CB CYS A 193 -22.801 15.350 72.078 1.00 0.00 ATOM 1546 SG CYS A 193 -21.198 15.613 71.241 1.00 0.00 ATOM 1547 O CYS A 193 -23.901 14.702 75.163 1.00 0.00 ATOM 1548 C CYS A 193 -23.929 14.276 73.998 1.00 0.00 ATOM 1549 N ILE A 194 -24.996 13.678 73.468 1.00 0.00 ATOM 1550 CA ILE A 194 -26.248 13.564 74.210 1.00 0.00 ATOM 1551 CB ILE A 194 -27.362 12.944 73.347 1.00 0.00 ATOM 1552 CG1 ILE A 194 -27.672 13.845 72.149 1.00 0.00 ATOM 1553 CG2 ILE A 194 -28.614 12.712 74.180 1.00 0.00 ATOM 1554 CD1 ILE A 194 -28.425 15.106 72.511 1.00 0.00 ATOM 1555 O ILE A 194 -26.449 13.145 76.563 1.00 0.00 ATOM 1556 C ILE A 194 -26.060 12.721 75.472 1.00 0.00 ATOM 1557 N HIS A 195 -25.537 11.526 75.303 1.00 0.00 ATOM 1558 CA HIS A 195 -25.332 10.649 76.462 1.00 0.00 ATOM 1559 CB HIS A 195 -24.692 9.324 76.032 1.00 0.00 ATOM 1560 CG HIS A 195 -24.351 8.422 77.176 1.00 0.00 ATOM 1561 CD2 HIS A 195 -24.583 8.539 78.504 1.00 0.00 ATOM 1562 ND1 HIS A 195 -23.687 7.224 77.007 1.00 0.00 ATOM 1563 CE1 HIS A 195 -23.525 6.645 78.183 1.00 0.00 ATOM 1564 NE2 HIS A 195 -24.061 7.421 79.108 1.00 0.00 ATOM 1565 O HIS A 195 -24.826 11.345 78.708 1.00 0.00 ATOM 1566 C HIS A 195 -24.465 11.327 77.527 1.00 0.00 ATOM 1567 N LEU A 196 -23.340 11.889 77.093 1.00 0.00 ATOM 1568 CA LEU A 196 -22.380 12.512 78.018 1.00 0.00 ATOM 1569 CB LEU A 196 -21.151 13.027 77.259 1.00 0.00 ATOM 1570 CG LEU A 196 -20.082 13.624 78.191 1.00 0.00 ATOM 1571 CD1 LEU A 196 -19.490 12.583 79.136 1.00 0.00 ATOM 1572 CD2 LEU A 196 -18.931 14.211 77.391 1.00 0.00 ATOM 1573 O LEU A 196 -22.978 13.686 80.030 1.00 0.00 ATOM 1574 C LEU A 196 -23.044 13.651 78.801 1.00 0.00 ATOM 1575 N ALA A 197 -23.832 14.444 78.100 1.00 0.00 ATOM 1576 CA ALA A 197 -24.529 15.537 78.793 1.00 0.00 ATOM 1577 CB ALA A 197 -25.127 16.481 77.817 1.00 0.00 ATOM 1578 O ALA A 197 -25.817 15.658 80.788 1.00 0.00 ATOM 1579 C ALA A 197 -25.647 15.083 79.720 1.00 0.00 ATOM 1580 N CYS A 198 -26.385 14.067 79.299 1.00 0.00 ATOM 1581 CA CYS A 198 -27.420 13.456 80.162 1.00 0.00 ATOM 1582 CB CYS A 198 -28.134 12.330 79.412 1.00 0.00 ATOM 1583 SG CYS A 198 -29.149 13.002 78.041 1.00 0.00 ATOM 1584 O CYS A 198 -27.190 13.283 82.539 1.00 0.00 ATOM 1585 C CYS A 198 -26.808 12.894 81.448 1.00 0.00 ATOM 1586 N LYS A 199 -25.667 12.233 81.266 1.00 0.00 ATOM 1587 CA LYS A 199 -24.957 11.583 82.375 1.00 0.00 ATOM 1588 CB LYS A 199 -23.837 10.686 81.842 1.00 0.00 ATOM 1589 CG LYS A 199 -23.078 9.922 82.918 1.00 0.00 ATOM 1590 CD LYS A 199 -22.043 8.989 82.307 1.00 0.00 ATOM 1591 CE LYS A 199 -21.264 8.245 83.383 1.00 0.00 ATOM 1592 NZ LYS A 199 -20.231 7.346 82.801 1.00 0.00 ATOM 1593 O LYS A 199 -24.501 12.474 84.555 1.00 0.00 ATOM 1594 C LYS A 199 -24.387 12.631 83.343 1.00 0.00 ATOM 1595 N TRP A 200 -23.836 13.696 82.771 1.00 0.00 ATOM 1596 CA TRP A 200 -23.236 14.784 83.572 1.00 0.00 ATOM 1597 CB TRP A 200 -22.523 15.786 82.661 1.00 0.00 ATOM 1598 CG TRP A 200 -21.922 16.942 83.399 1.00 0.00 ATOM 1599 CD1 TRP A 200 -22.373 18.228 83.409 1.00 0.00 ATOM 1600 CD2 TRP A 200 -20.759 16.918 84.236 1.00 0.00 ATOM 1601 CE2 TRP A 200 -20.566 18.225 84.719 1.00 0.00 ATOM 1602 CE3 TRP A 200 -19.863 15.916 84.625 1.00 0.00 ATOM 1603 NE1 TRP A 200 -21.565 19.008 84.197 1.00 0.00 ATOM 1604 CZ2 TRP A 200 -19.519 18.559 85.564 1.00 0.00 ATOM 1605 CZ3 TRP A 200 -18.812 16.250 85.473 1.00 0.00 ATOM 1606 CH2 TRP A 200 -18.647 17.534 85.930 1.00 0.00 ATOM 1607 O TRP A 200 -24.080 15.685 85.632 1.00 0.00 ATOM 1608 C TRP A 200 -24.264 15.523 84.426 1.00 0.00 ATOM 1609 N SER A 201 -25.392 15.850 83.801 1.00 0.00 ATOM 1610 CA SER A 201 -26.405 16.714 84.417 1.00 0.00 ATOM 1611 CB SER A 201 -27.072 17.572 83.361 1.00 0.00 ATOM 1612 OG SER A 201 -26.155 18.394 82.692 1.00 0.00 ATOM 1613 O SER A 201 -28.061 16.428 86.138 1.00 0.00 ATOM 1614 C SER A 201 -27.478 15.926 85.190 1.00 0.00 ATOM 1615 N ASN A 202 -27.887 14.789 84.669 1.00 0.00 ATOM 1616 CA ASN A 202 -29.013 14.080 85.297 1.00 0.00 ATOM 1617 CB ASN A 202 -30.207 13.998 84.365 1.00 0.00 ATOM 1618 CG ASN A 202 -30.763 15.338 83.972 1.00 0.00 ATOM 1619 ND2 ASN A 202 -30.639 15.653 82.708 1.00 0.00 ATOM 1620 OD1 ASN A 202 -31.362 16.047 84.789 1.00 0.00 ATOM 1621 O ASN A 202 -29.467 12.123 86.577 1.00 0.00 ATOM 1622 C ASN A 202 -28.697 12.656 85.791 1.00 0.00 ATOM 1623 N TRP A 203 -27.534 12.132 85.390 1.00 0.00 ATOM 1624 CA TRP A 203 -27.068 10.777 85.716 1.00 0.00 ATOM 1625 CB TRP A 203 -27.157 10.532 87.223 1.00 0.00 ATOM 1626 CG TRP A 203 -26.338 11.489 88.034 1.00 0.00 ATOM 1627 CD1 TRP A 203 -26.805 12.502 88.814 1.00 0.00 ATOM 1628 CD2 TRP A 203 -24.909 11.520 88.146 1.00 0.00 ATOM 1629 CE2 TRP A 203 -24.582 12.580 89.010 1.00 0.00 ATOM 1630 CE3 TRP A 203 -23.875 10.753 87.597 1.00 0.00 ATOM 1631 NE1 TRP A 203 -25.759 13.167 89.406 1.00 0.00 ATOM 1632 CZ2 TRP A 203 -23.274 12.894 89.338 1.00 0.00 ATOM 1633 CZ3 TRP A 203 -22.561 11.067 87.927 1.00 0.00 ATOM 1634 CH2 TRP A 203 -22.269 12.108 88.773 1.00 0.00 ATOM 1635 O TRP A 203 -27.632 8.522 85.052 1.00 0.00 ATOM 1636 C TRP A 203 -27.893 9.714 84.949 1.00 0.00 ATOM 1637 N GLU A 204 -28.577 10.181 83.891 1.00 0.00 ATOM 1638 CA GLU A 204 -29.268 9.355 82.874 1.00 0.00 ATOM 1639 CB GLU A 204 -30.559 10.038 82.417 1.00 0.00 ATOM 1640 CG GLU A 204 -31.610 10.191 83.508 1.00 0.00 ATOM 1641 CD GLU A 204 -32.848 10.863 82.983 1.00 0.00 ATOM 1642 OE1 GLU A 204 -32.839 11.283 81.851 1.00 0.00 ATOM 1643 OE2 GLU A 204 -33.840 10.858 83.674 1.00 0.00 ATOM 1644 O GLU A 204 -27.343 9.745 81.435 1.00 0.00 ATOM 1645 C GLU A 204 -28.358 9.080 81.659 1.00 0.00 ATOM 1646 N ILE A 205 -28.799 8.143 80.829 1.00 0.00 ATOM 1647 CA ILE A 205 -28.003 7.671 79.677 1.00 0.00 ATOM 1648 CB ILE A 205 -27.651 6.200 79.897 1.00 0.00 ATOM 1649 CG1 ILE A 205 -28.893 5.297 79.932 1.00 0.00 ATOM 1650 CG2 ILE A 205 -26.628 6.091 81.019 1.00 0.00 ATOM 1651 CD1 ILE A 205 -28.468 3.856 79.731 1.00 0.00 ATOM 1652 O ILE A 205 -29.840 8.273 78.277 1.00 0.00 ATOM 1653 C ILE A 205 -28.666 7.874 78.290 1.00 0.00 ATOM 1654 N PRO A 206 -28.029 7.465 77.161 1.00 0.00 ATOM 1655 CA PRO A 206 -28.657 7.582 75.832 1.00 0.00 ATOM 1656 CB PRO A 206 -27.796 6.739 74.887 1.00 0.00 ATOM 1657 CG PRO A 206 -27.206 5.669 75.790 1.00 0.00 ATOM 1658 CD PRO A 206 -26.897 6.522 77.002 1.00 0.00 ATOM 1659 O PRO A 206 -30.230 5.969 76.679 1.00 0.00 ATOM 1660 C PRO A 206 -30.049 6.943 75.940 1.00 0.00 ATOM 1661 N VAL A 207 -31.029 7.595 75.330 1.00 0.00 ATOM 1662 CA VAL A 207 -32.404 7.056 75.391 1.00 0.00 ATOM 1663 CB VAL A 207 -33.414 7.992 74.695 1.00 0.00 ATOM 1664 CG1 VAL A 207 -34.843 7.464 74.771 1.00 0.00 ATOM 1665 CG2 VAL A 207 -33.407 9.357 75.322 1.00 0.00 ATOM 1666 O VAL A 207 -31.749 5.410 73.747 1.00 0.00 ATOM 1667 C VAL A 207 -32.375 5.658 74.762 1.00 0.00 ATOM 1668 N SER A 208 -32.898 4.671 75.462 1.00 0.00 ATOM 1669 CA SER A 208 -32.662 3.263 75.054 1.00 0.00 ATOM 1670 CB SER A 208 -32.988 2.325 76.200 1.00 0.00 ATOM 1671 OG SER A 208 -34.357 2.315 76.499 1.00 0.00 ATOM 1672 O SER A 208 -34.554 3.284 73.903 1.00 0.00 ATOM 1673 C SER A 208 -33.469 2.889 73.832 1.00 0.00 ATOM 1674 N THR A 209 -33.180 1.884 73.023 1.00 0.00 ATOM 1675 CA THR A 209 -33.974 1.333 71.882 1.00 0.00 ATOM 1676 CB THR A 209 -33.524 -0.070 71.462 1.00 0.00 ATOM 1677 CG2 THR A 209 -33.779 -0.381 69.990 1.00 0.00 ATOM 1678 OG1 THR A 209 -32.154 -0.275 71.722 1.00 0.00 ATOM 1679 O THR A 209 -36.358 1.336 71.479 1.00 0.00 ATOM 1680 C THR A 209 -35.422 1.063 72.239 1.00 0.00 ATOM 1681 N ASP A 210 -35.525 0.472 73.416 1.00 0.00 ATOM 1682 CA ASP A 210 -36.827 0.121 73.969 1.00 0.00 ATOM 1683 CB ASP A 210 -36.674 -0.450 75.382 1.00 0.00 ATOM 1684 CG ASP A 210 -36.078 -1.852 75.431 1.00 0.00 ATOM 1685 OD1 ASP A 210 -35.975 -2.470 74.399 1.00 0.00 ATOM 1686 OD2 ASP A 210 -35.587 -2.229 76.469 1.00 0.00 ATOM 1687 O ASP A 210 -38.913 1.190 73.698 1.00 0.00 ATOM 1688 C ASP A 210 -37.729 1.408 73.958 1.00 0.00 ATOM 1689 N GLY A 211 -37.055 2.636 74.089 1.00 0.00 ATOM 1690 CA GLY A 211 -36.946 4.156 73.738 1.00 0.00 ATOM 1691 O GLY A 211 -36.658 4.603 71.630 1.00 0.00 ATOM 1692 C GLY A 211 -35.929 4.849 72.571 1.00 0.00 ATOM 1693 N LYS A 212 -34.706 5.549 72.348 1.00 0.00 ATOM 1694 CA LYS A 212 -33.526 6.198 71.382 1.00 0.00 ATOM 1695 CB LYS A 212 -32.374 7.246 71.819 1.00 0.00 ATOM 1696 CG LYS A 212 -31.065 8.123 71.522 1.00 0.00 ATOM 1697 CD LYS A 212 -31.193 9.539 72.186 1.00 0.00 ATOM 1698 CE LYS A 212 -30.446 10.860 71.870 1.00 0.00 ATOM 1699 NZ LYS A 212 -31.062 12.036 72.545 1.00 0.00 ATOM 1700 O LYS A 212 -31.975 5.844 69.469 1.00 0.00 ATOM 1701 C LYS A 212 -32.555 5.394 70.480 1.00 0.00 ATOM 1702 N HIS A 213 -32.082 4.321 71.059 1.00 0.00 ATOM 1703 CA HIS A 213 -31.380 3.275 70.291 1.00 0.00 ATOM 1704 CB HIS A 213 -30.877 2.122 71.160 1.00 0.00 ATOM 1705 CG HIS A 213 -30.259 2.306 72.552 1.00 0.00 ATOM 1706 CD2 HIS A 213 -29.252 3.129 72.760 1.00 0.00 ATOM 1707 ND1 HIS A 213 -30.339 1.506 73.616 1.00 0.00 ATOM 1708 CE1 HIS A 213 -29.299 1.787 74.408 1.00 0.00 ATOM 1709 NE2 HIS A 213 -28.640 2.815 73.878 1.00 0.00 ATOM 1710 O HIS A 213 -31.891 2.498 68.092 1.00 0.00 ATOM 1711 C HIS A 213 -32.346 2.738 69.195 1.00 0.00 ATOM 1712 N TRP A 214 -33.667 2.856 69.441 1.00 0.00 ATOM 1713 CA TRP A 214 -34.793 2.615 68.488 1.00 0.00 ATOM 1714 CB TRP A 214 -36.089 3.188 69.111 1.00 0.00 ATOM 1715 CG TRP A 214 -37.427 2.929 68.389 1.00 0.00 ATOM 1716 CD1 TRP A 214 -38.019 1.749 68.394 1.00 0.00 ATOM 1717 CD2 TRP A 214 -38.339 3.809 67.800 1.00 0.00 ATOM 1718 CE2 TRP A 214 -39.469 3.064 67.484 1.00 0.00 ATOM 1719 CE3 TRP A 214 -38.322 5.150 67.469 1.00 0.00 ATOM 1720 NE1 TRP A 214 -39.230 1.817 67.856 1.00 0.00 ATOM 1721 CZ2 TRP A 214 -40.577 3.613 66.869 1.00 0.00 ATOM 1722 CZ3 TRP A 214 -39.424 5.716 66.836 1.00 0.00 ATOM 1723 CH2 TRP A 214 -40.549 4.960 66.546 1.00 0.00 ATOM 1724 O TRP A 214 -34.528 2.935 66.113 1.00 0.00 ATOM 1725 C TRP A 214 -34.548 3.427 67.220 1.00 0.00 ATOM 1726 N TRP A 215 -34.404 4.707 67.477 1.00 0.00 ATOM 1727 CA TRP A 215 -34.370 5.709 66.411 1.00 0.00 ATOM 1728 CB TRP A 215 -34.496 7.084 67.035 1.00 0.00 ATOM 1729 CG TRP A 215 -34.600 8.138 65.946 1.00 0.00 ATOM 1730 CD1 TRP A 215 -33.696 9.070 65.628 1.00 0.00 ATOM 1731 CD2 TRP A 215 -35.674 8.278 65.087 1.00 0.00 ATOM 1732 CE2 TRP A 215 -35.347 9.339 64.289 1.00 0.00 ATOM 1733 CE3 TRP A 215 -36.853 7.587 64.879 1.00 0.00 ATOM 1734 NE1 TRP A 215 -34.145 9.800 64.623 1.00 0.00 ATOM 1735 CZ2 TRP A 215 -36.213 9.657 63.280 1.00 0.00 ATOM 1736 CZ3 TRP A 215 -37.720 8.005 63.873 1.00 0.00 ATOM 1737 CH2 TRP A 215 -37.413 9.050 63.072 1.00 0.00 ATOM 1738 O TRP A 215 -33.158 5.686 64.332 1.00 0.00 ATOM 1739 C TRP A 215 -33.099 5.659 65.559 1.00 0.00 ATOM 1740 N GLU A 216 -32.002 5.575 66.298 1.00 0.00 ATOM 1741 CA GLU A 216 -30.651 5.885 65.821 1.00 0.00 ATOM 1742 CB GLU A 216 -29.897 6.725 66.855 1.00 0.00 ATOM 1743 CG GLU A 216 -30.518 8.086 67.133 1.00 0.00 ATOM 1744 CD GLU A 216 -29.749 8.830 68.189 1.00 0.00 ATOM 1745 OE1 GLU A 216 -28.791 8.294 68.690 1.00 0.00 ATOM 1746 OE2 GLU A 216 -30.049 9.979 68.415 1.00 0.00 ATOM 1747 O GLU A 216 -28.988 4.589 64.653 1.00 0.00 ATOM 1748 C GLU A 216 -29.868 4.585 65.507 1.00 0.00 ATOM 1749 N TYR A 217 -30.213 3.491 66.200 1.00 0.00 ATOM 1750 CA TYR A 217 -29.534 2.171 66.154 1.00 0.00 ATOM 1751 CB TYR A 217 -29.238 1.697 64.726 1.00 0.00 ATOM 1752 CG TYR A 217 -30.463 1.749 63.811 1.00 0.00 ATOM 1753 CD1 TYR A 217 -31.525 0.902 64.060 1.00 0.00 ATOM 1754 CD2 TYR A 217 -30.526 2.613 62.721 1.00 0.00 ATOM 1755 CE1 TYR A 217 -32.636 0.870 63.222 1.00 0.00 ATOM 1756 CE2 TYR A 217 -31.645 2.588 61.901 1.00 0.00 ATOM 1757 CZ TYR A 217 -32.687 1.705 62.111 1.00 0.00 ATOM 1758 OH TYR A 217 -33.504 1.505 61.056 1.00 0.00 ATOM 1759 O TYR A 217 -27.607 1.135 67.172 1.00 0.00 ATOM 1760 C TYR A 217 -28.246 2.163 66.983 1.00 0.00 ATOM 1761 N VAL A 218 -27.872 3.297 67.541 1.00 0.00 ATOM 1762 CA VAL A 218 -26.628 3.379 68.307 1.00 0.00 ATOM 1763 CB VAL A 218 -25.921 4.735 68.090 1.00 0.00 ATOM 1764 CG1 VAL A 218 -25.621 4.955 66.600 1.00 0.00 ATOM 1765 CG2 VAL A 218 -26.779 5.895 68.577 1.00 0.00 ATOM 1766 O VAL A 218 -27.973 3.326 70.286 1.00 0.00 ATOM 1767 C VAL A 218 -26.903 3.028 69.769 1.00 0.00 ATOM 1768 N ASP A 219 -25.920 2.383 70.382 1.00 0.00 ATOM 1769 CA ASP A 219 -25.937 1.967 71.803 1.00 0.00 ATOM 1770 CB ASP A 219 -25.782 0.442 71.881 1.00 0.00 ATOM 1771 CG ASP A 219 -26.992 -0.319 71.340 1.00 0.00 ATOM 1772 OD1 ASP A 219 -28.121 0.033 71.726 1.00 0.00 ATOM 1773 OD2 ASP A 219 -26.734 -1.256 70.557 1.00 0.00 ATOM 1774 O ASP A 219 -23.848 3.119 71.830 1.00 0.00 ATOM 1775 C ASP A 219 -24.749 2.631 72.510 1.00 0.00 ATOM 1776 N PRO A 220 -24.666 2.579 73.847 1.00 0.00 ATOM 1777 CA PRO A 220 -23.446 2.998 74.562 1.00 0.00 ATOM 1778 CB PRO A 220 -23.683 2.645 76.025 1.00 0.00 ATOM 1779 CG PRO A 220 -25.173 2.871 76.114 1.00 0.00 ATOM 1780 CD PRO A 220 -25.718 2.277 74.817 1.00 0.00 ATOM 1781 O PRO A 220 -21.171 2.823 73.905 1.00 0.00 ATOM 1782 C PRO A 220 -22.228 2.232 74.050 1.00 0.00 ATOM 1783 N THR A 221 -22.404 0.964 73.666 1.00 0.00 ATOM 1784 CA THR A 221 -21.278 0.180 73.101 1.00 0.00 ATOM 1785 CB THR A 221 -21.692 -1.276 72.815 1.00 0.00 ATOM 1786 CG2 THR A 221 -20.539 -2.043 72.186 1.00 0.00 ATOM 1787 OG1 THR A 221 -22.078 -1.915 74.037 1.00 0.00 ATOM 1788 O THR A 221 -19.588 1.135 71.736 1.00 0.00 ATOM 1789 C THR A 221 -20.762 0.813 71.820 1.00 0.00 ATOM 1790 N VAL A 222 -21.685 1.161 70.935 1.00 0.00 ATOM 1791 CA VAL A 222 -21.307 1.753 69.639 1.00 0.00 ATOM 1792 CB VAL A 222 -22.518 1.857 68.690 1.00 0.00 ATOM 1793 CG1 VAL A 222 -22.147 2.641 67.440 1.00 0.00 ATOM 1794 CG2 VAL A 222 -23.024 0.471 68.320 1.00 0.00 ATOM 1795 O VAL A 222 -19.925 3.613 69.007 1.00 0.00 ATOM 1796 C VAL A 222 -20.691 3.155 69.830 1.00 0.00 ATOM 1797 N THR A 223 -21.210 3.896 70.796 1.00 0.00 ATOM 1798 CA THR A 223 -20.766 5.266 71.098 1.00 0.00 ATOM 1799 CB THR A 223 -21.848 6.029 71.870 1.00 0.00 ATOM 1800 CG2 THR A 223 -23.146 6.084 71.102 1.00 0.00 ATOM 1801 OG1 THR A 223 -22.092 5.391 73.116 1.00 0.00 ATOM 1802 O THR A 223 -18.961 6.435 72.152 1.00 0.00 ATOM 1803 C THR A 223 -19.496 5.353 71.954 1.00 0.00 ATOM 1804 N LEU A 224 -19.023 4.208 72.428 1.00 0.00 ATOM 1805 CA LEU A 224 -17.916 4.131 73.392 1.00 0.00 ATOM 1806 CB LEU A 224 -17.606 2.666 73.726 1.00 0.00 ATOM 1807 CG LEU A 224 -16.463 2.452 74.725 1.00 0.00 ATOM 1808 CD1 LEU A 224 -16.811 3.090 76.064 1.00 0.00 ATOM 1809 CD2 LEU A 224 -16.201 0.961 74.888 1.00 0.00 ATOM 1810 O LEU A 224 -16.061 5.596 73.698 1.00 0.00 ATOM 1811 C LEU A 224 -16.605 4.803 72.956 1.00 0.00 ATOM 1812 N GLU A 225 -16.169 4.557 71.729 1.00 0.00 ATOM 1813 CA GLU A 225 -14.898 5.120 71.261 1.00 0.00 ATOM 1814 CB GLU A 225 -14.541 4.563 69.881 1.00 0.00 ATOM 1815 CG GLU A 225 -14.142 3.094 69.880 1.00 0.00 ATOM 1816 CD GLU A 225 -13.934 2.586 68.480 1.00 0.00 ATOM 1817 OE1 GLU A 225 -14.167 3.330 67.558 1.00 0.00 ATOM 1818 OE2 GLU A 225 -13.437 1.495 68.333 1.00 0.00 ATOM 1819 O GLU A 225 -14.063 7.320 71.782 1.00 0.00 ATOM 1820 C GLU A 225 -14.919 6.652 71.201 1.00 0.00 ATOM 1821 N LEU A 226 -16.000 7.203 70.653 1.00 0.00 ATOM 1822 CA LEU A 226 -16.192 8.665 70.626 1.00 0.00 ATOM 1823 CB LEU A 226 -17.381 9.028 69.728 1.00 0.00 ATOM 1824 CG LEU A 226 -17.207 10.306 68.897 1.00 0.00 ATOM 1825 CD1 LEU A 226 -18.364 10.455 67.919 1.00 0.00 ATOM 1826 CD2 LEU A 226 -17.128 11.508 69.827 1.00 0.00 ATOM 1827 O LEU A 226 -15.855 10.278 72.375 1.00 0.00 ATOM 1828 C LEU A 226 -16.400 9.231 72.030 1.00 0.00 ATOM 1829 N LEU A 227 -17.140 8.493 72.841 1.00 0.00 ATOM 1830 CA LEU A 227 -17.402 8.877 74.242 1.00 0.00 ATOM 1831 CB LEU A 227 -18.361 7.874 74.896 1.00 0.00 ATOM 1832 CG LEU A 227 -18.724 8.175 76.356 1.00 0.00 ATOM 1833 CD1 LEU A 227 -19.429 9.522 76.452 1.00 0.00 ATOM 1834 CD2 LEU A 227 -19.610 7.064 76.900 1.00 0.00 ATOM 1835 O LEU A 227 -15.944 9.942 75.788 1.00 0.00 ATOM 1836 C LEU A 227 -16.113 8.975 75.053 1.00 0.00 ATOM 1837 N ASP A 228 -15.227 8.026 74.812 1.00 0.00 ATOM 1838 CA ASP A 228 -13.934 8.013 75.499 1.00 0.00 ATOM 1839 CB ASP A 228 -13.156 6.741 75.153 1.00 0.00 ATOM 1840 CG ASP A 228 -13.703 5.473 75.795 1.00 0.00 ATOM 1841 OD1 ASP A 228 -14.518 5.584 76.680 1.00 0.00 ATOM 1842 OD2 ASP A 228 -13.423 4.411 75.296 1.00 0.00 ATOM 1843 O ASP A 228 -12.654 9.990 76.042 1.00 0.00 ATOM 1844 C ASP A 228 -13.094 9.252 75.148 1.00 0.00 ATOM 1845 N GLU A 229 -13.071 9.564 73.862 1.00 0.00 ATOM 1846 CA GLU A 229 -12.383 10.773 73.355 1.00 0.00 ATOM 1847 CB GLU A 229 -12.431 10.804 71.832 1.00 0.00 ATOM 1848 CG GLU A 229 -11.684 12.021 71.257 1.00 0.00 ATOM 1849 CD GLU A 229 -11.720 12.085 69.723 1.00 0.00 ATOM 1850 OE1 GLU A 229 -12.306 11.180 69.080 1.00 0.00 ATOM 1851 OE2 GLU A 229 -11.098 13.014 69.190 1.00 0.00 ATOM 1852 O GLU A 229 -12.294 12.857 74.559 1.00 0.00 ATOM 1853 C GLU A 229 -12.996 12.060 73.928 1.00 0.00 ATOM 1854 N LEU A 230 -14.316 12.146 73.866 1.00 0.00 ATOM 1855 CA LEU A 230 -15.062 13.340 74.322 1.00 0.00 ATOM 1856 CB LEU A 230 -16.547 13.221 73.949 1.00 0.00 ATOM 1857 CG LEU A 230 -17.395 14.437 74.340 1.00 0.00 ATOM 1858 CD1 LEU A 230 -16.924 15.738 73.702 1.00 0.00 ATOM 1859 CD2 LEU A 230 -18.849 14.192 73.956 1.00 0.00 ATOM 1860 O LEU A 230 -14.765 14.695 76.297 1.00 0.00 ATOM 1861 C LEU A 230 -14.911 13.568 75.833 1.00 0.00 ATOM 1862 N THR A 231 -14.892 12.462 76.589 1.00 0.00 ATOM 1863 CA THR A 231 -14.670 12.522 78.048 1.00 0.00 ATOM 1864 CB THR A 231 -14.795 11.142 78.701 1.00 0.00 ATOM 1865 CG2 THR A 231 -14.534 11.184 80.208 1.00 0.00 ATOM 1866 OG1 THR A 231 -16.109 10.624 78.528 1.00 0.00 ATOM 1867 O THR A 231 -13.184 14.056 79.125 1.00 0.00 ATOM 1868 C THR A 231 -13.287 13.124 78.330 1.00 0.00 ATOM 1869 N HIS A 232 -12.261 12.624 77.644 1.00 0.00 ATOM 1870 CA HIS A 232 -10.886 13.158 77.753 1.00 0.00 ATOM 1871 CB HIS A 232 -9.932 12.383 76.839 1.00 0.00 ATOM 1872 CG HIS A 232 -8.527 12.903 76.858 1.00 0.00 ATOM 1873 CD2 HIS A 232 -7.832 13.628 75.951 1.00 0.00 ATOM 1874 ND1 HIS A 232 -7.668 12.688 77.915 1.00 0.00 ATOM 1875 CE1 HIS A 232 -6.505 13.259 77.656 1.00 0.00 ATOM 1876 NE2 HIS A 232 -6.578 13.836 76.471 1.00 0.00 ATOM 1877 O HIS A 232 -10.357 15.473 78.182 1.00 0.00 ATOM 1878 C HIS A 232 -10.856 14.656 77.406 1.00 0.00 ATOM 1879 N GLU A 233 -11.501 14.988 76.293 1.00 0.00 ATOM 1880 CA GLU A 233 -11.595 16.389 75.859 1.00 0.00 ATOM 1881 CB GLU A 233 -12.383 16.494 74.550 1.00 0.00 ATOM 1882 CG GLU A 233 -12.503 17.908 73.999 1.00 0.00 ATOM 1883 CD GLU A 233 -13.205 17.917 72.670 1.00 0.00 ATOM 1884 OE1 GLU A 233 -14.304 17.422 72.596 1.00 0.00 ATOM 1885 OE2 GLU A 233 -12.693 18.517 71.755 1.00 0.00 ATOM 1886 O GLU A 233 -11.658 18.253 77.316 1.00 0.00 ATOM 1887 C GLU A 233 -12.252 17.252 76.946 1.00 0.00 ATOM 1888 N PHE A 234 -13.307 16.728 77.553 1.00 0.00 ATOM 1889 CA PHE A 234 -14.034 17.373 78.656 1.00 0.00 ATOM 1890 CB PHE A 234 -15.257 16.543 79.047 1.00 0.00 ATOM 1891 CG PHE A 234 -16.034 17.115 80.200 1.00 0.00 ATOM 1892 CD1 PHE A 234 -16.910 18.172 80.008 1.00 0.00 ATOM 1893 CD2 PHE A 234 -15.892 16.594 81.477 1.00 0.00 ATOM 1894 CE1 PHE A 234 -17.625 18.699 81.066 1.00 0.00 ATOM 1895 CE2 PHE A 234 -16.606 17.118 82.537 1.00 0.00 ATOM 1896 CZ PHE A 234 -17.473 18.172 82.331 1.00 0.00 ATOM 1897 O PHE A 234 -13.004 18.726 80.382 1.00 0.00 ATOM 1898 C PHE A 234 -13.163 17.599 79.897 1.00 0.00 ATOM 1899 N LEU A 235 -12.508 16.527 80.321 1.00 0.00 ATOM 1900 CA LEU A 235 -11.592 16.554 81.464 1.00 0.00 ATOM 1901 CB LEU A 235 -10.992 15.162 81.696 1.00 0.00 ATOM 1902 CG LEU A 235 -11.977 14.102 82.206 1.00 0.00 ATOM 1903 CD1 LEU A 235 -11.307 12.734 82.230 1.00 0.00 ATOM 1904 CD2 LEU A 235 -12.464 14.487 83.595 1.00 0.00 ATOM 1905 O LEU A 235 -10.140 18.304 82.247 1.00 0.00 ATOM 1906 C LEU A 235 -10.453 17.572 81.318 1.00 0.00 ATOM 1907 N GLN A 236 -9.978 17.691 80.088 1.00 0.00 ATOM 1908 CA GLN A 236 -8.803 18.530 79.768 1.00 0.00 ATOM 1909 CB GLN A 236 -7.941 17.858 78.695 1.00 0.00 ATOM 1910 CG GLN A 236 -7.397 16.498 79.097 1.00 0.00 ATOM 1911 CD GLN A 236 -6.507 16.569 80.324 1.00 0.00 ATOM 1912 OE1 GLN A 236 -5.611 17.413 80.409 1.00 0.00 ATOM 1913 NE2 GLN A 236 -6.750 15.681 81.281 1.00 0.00 ATOM 1914 O GLN A 236 -8.282 20.759 79.000 1.00 0.00 ATOM 1915 C GLN A 236 -9.156 19.941 79.283 1.00 0.00 ATOM 1916 N ILE A 237 -10.451 20.249 79.223 1.00 0.00 ATOM 1917 CA ILE A 237 -10.939 21.523 78.651 1.00 0.00 ATOM 1918 CB ILE A 237 -12.468 21.650 78.775 1.00 0.00 ATOM 1919 CG1 ILE A 237 -13.164 20.672 77.825 1.00 0.00 ATOM 1920 CG2 ILE A 237 -12.909 23.076 78.492 1.00 0.00 ATOM 1921 CD1 ILE A 237 -12.881 20.935 76.364 1.00 0.00 ATOM 1922 O ILE A 237 -9.858 23.669 78.649 1.00 0.00 ATOM 1923 C ILE A 237 -10.283 22.748 79.329 1.00 0.00 ATOM 1924 N LEU A 238 -10.224 22.776 80.648 1.00 0.00 ATOM 1925 CA LEU A 238 -9.652 23.962 81.324 1.00 0.00 ATOM 1926 CB LEU A 238 -9.736 23.795 82.846 1.00 0.00 ATOM 1927 CG LEU A 238 -10.977 24.412 83.503 1.00 0.00 ATOM 1928 CD1 LEU A 238 -12.216 24.099 82.675 1.00 0.00 ATOM 1929 CD2 LEU A 238 -11.124 23.873 84.918 1.00 0.00 ATOM 1930 O LEU A 238 -7.794 25.452 81.004 1.00 0.00 ATOM 1931 C LEU A 238 -8.194 24.287 80.957 1.00 0.00 ATOM 1932 N GLU A 239 -7.476 23.263 80.483 1.00 0.00 ATOM 1933 CA GLU A 239 -6.057 23.382 80.109 1.00 0.00 ATOM 1934 CB GLU A 239 -5.275 22.155 80.578 1.00 0.00 ATOM 1935 CG GLU A 239 -5.301 21.932 82.084 1.00 0.00 ATOM 1936 CD GLU A 239 -4.777 23.131 82.823 1.00 0.00 ATOM 1937 OE1 GLU A 239 -3.702 23.579 82.503 1.00 0.00 ATOM 1938 OE2 GLU A 239 -5.497 23.667 83.632 1.00 0.00 ATOM 1939 O GLU A 239 -4.685 23.833 78.172 1.00 0.00 ATOM 1940 C GLU A 239 -5.798 23.564 78.609 1.00 0.00 ATOM 1941 N LYS A 240 -6.835 23.403 77.789 1.00 0.00 ATOM 1942 CA LYS A 240 -6.634 23.500 76.335 1.00 0.00 ATOM 1943 CB LYS A 240 -7.932 23.174 75.592 1.00 0.00 ATOM 1944 CG LYS A 240 -8.398 21.732 75.743 1.00 0.00 ATOM 1945 CD LYS A 240 -7.455 20.768 75.038 1.00 0.00 ATOM 1946 CE LYS A 240 -7.963 19.336 75.117 1.00 0.00 ATOM 1947 NZ LYS A 240 -7.007 18.372 74.509 1.00 0.00 ATOM 1948 O LYS A 240 -6.624 25.899 76.512 1.00 0.00 ATOM 1949 C LYS A 240 -6.132 24.911 75.976 1.00 0.00 ATOM 1950 N THR A 241 -5.144 24.967 75.070 1.00 0.00 ATOM 1951 CA THR A 241 -4.658 26.229 74.436 1.00 0.00 ATOM 1952 CB THR A 241 -3.718 25.941 73.250 1.00 0.00 ATOM 1953 CG2 THR A 241 -3.255 27.238 72.608 1.00 0.00 ATOM 1954 OG1 THR A 241 -2.576 25.205 73.709 1.00 0.00 ATOM 1955 O THR A 241 -5.872 28.278 74.113 1.00 0.00 ATOM 1956 C THR A 241 -5.862 27.069 73.960 1.00 0.00 ATOM 1957 N PRO A 242 -6.867 26.435 73.380 1.00 0.00 ATOM 1958 CA PRO A 242 -8.063 27.163 72.964 1.00 0.00 ATOM 1959 CB PRO A 242 -8.426 26.353 71.770 1.00 0.00 ATOM 1960 CG PRO A 242 -8.066 24.918 72.074 1.00 0.00 ATOM 1961 CD PRO A 242 -6.778 25.093 72.761 1.00 0.00 ATOM 1962 O PRO A 242 -9.394 26.109 74.666 1.00 0.00 ATOM 1963 C PRO A 242 -9.148 27.142 74.041 1.00 0.00 ATOM 1964 N ASN A 243 -9.745 28.304 74.241 1.00 0.00 ATOM 1965 CA ASN A 243 -10.703 28.488 75.350 1.00 0.00 ATOM 1966 CB ASN A 243 -10.093 29.293 76.484 1.00 0.00 ATOM 1967 CG ASN A 243 -9.716 30.695 76.096 1.00 0.00 ATOM 1968 ND2 ASN A 243 -9.030 31.362 76.988 1.00 0.00 ATOM 1969 OD1 ASN A 243 -9.979 31.143 74.973 1.00 0.00 ATOM 1970 O ASN A 243 -12.838 29.436 75.891 1.00 0.00 ATOM 1971 C ASN A 243 -12.046 29.150 74.995 1.00 0.00 ATOM 1972 N ARG A 244 -12.255 29.464 73.712 1.00 0.00 ATOM 1973 CA ARG A 244 -13.418 30.284 73.320 1.00 0.00 ATOM 1974 CB ARG A 244 -13.366 30.691 71.856 1.00 0.00 ATOM 1975 CG ARG A 244 -14.432 31.687 71.430 1.00 0.00 ATOM 1976 CD ARG A 244 -14.345 33.004 72.112 1.00 0.00 ATOM 1977 NE ARG A 244 -15.335 33.976 71.674 1.00 0.00 ATOM 1978 CZ ARG A 244 -15.571 35.154 72.283 1.00 0.00 ATOM 1979 NH1 ARG A 244 -14.923 35.494 73.375 1.00 0.00 ATOM 1980 NH2 ARG A 244 -16.493 35.950 71.768 1.00 0.00 ATOM 1981 O ARG A 244 -15.625 30.229 74.219 1.00 0.00 ATOM 1982 C ARG A 244 -14.745 29.600 73.647 1.00 0.00 ATOM 1983 N LEU A 245 -14.771 28.288 73.442 1.00 0.00 ATOM 1984 CA LEU A 245 -15.964 27.481 73.754 1.00 0.00 ATOM 1985 CB LEU A 245 -15.781 26.046 73.245 1.00 0.00 ATOM 1986 CG LEU A 245 -15.602 25.910 71.727 1.00 0.00 ATOM 1987 CD1 LEU A 245 -15.249 24.472 71.371 1.00 0.00 ATOM 1988 CD2 LEU A 245 -16.879 26.344 71.023 1.00 0.00 ATOM 1989 O LEU A 245 -17.407 27.758 75.632 1.00 0.00 ATOM 1990 C LEU A 245 -16.279 27.460 75.253 1.00 0.00 ATOM 1991 N LYS A 246 -15.220 27.353 76.059 1.00 0.00 ATOM 1992 CA LYS A 246 -15.258 27.399 77.535 1.00 0.00 ATOM 1993 CB LYS A 246 -13.847 27.279 78.112 1.00 0.00 ATOM 1994 CG LYS A 246 -13.794 27.160 79.629 1.00 0.00 ATOM 1995 CD LYS A 246 -12.365 26.994 80.122 1.00 0.00 ATOM 1996 CE LYS A 246 -11.606 28.312 80.076 1.00 0.00 ATOM 1997 NZ LYS A 246 -12.117 29.284 81.080 1.00 0.00 ATOM 1998 O LYS A 246 -16.949 28.733 78.654 1.00 0.00 ATOM 1999 C LYS A 246 -15.930 28.702 77.962 1.00 0.00 ATOM 2000 N LYS A 247 -15.374 29.788 77.421 1.00 0.00 ATOM 2001 CA LYS A 247 -15.813 31.142 77.781 1.00 0.00 ATOM 2002 CB LYS A 247 -14.949 32.190 77.077 1.00 0.00 ATOM 2003 CG LYS A 247 -15.302 33.630 77.423 1.00 0.00 ATOM 2004 CD LYS A 247 -14.355 34.610 76.744 1.00 0.00 ATOM 2005 CE LYS A 247 -14.734 36.051 77.052 1.00 0.00 ATOM 2006 NZ LYS A 247 -13.831 37.021 76.375 1.00 0.00 ATOM 2007 O LYS A 247 -18.077 31.810 78.229 1.00 0.00 ATOM 2008 C LYS A 247 -17.288 31.326 77.423 1.00 0.00 ATOM 2009 N ILE A 248 -17.618 30.929 76.192 1.00 0.00 ATOM 2010 CA ILE A 248 -18.990 30.998 75.667 1.00 0.00 ATOM 2011 CB ILE A 248 -19.096 30.345 74.276 1.00 0.00 ATOM 2012 CG1 ILE A 248 -18.321 31.164 73.241 1.00 0.00 ATOM 2013 CG2 ILE A 248 -20.554 30.205 73.864 1.00 0.00 ATOM 2014 CD1 ILE A 248 -18.139 30.459 71.917 1.00 0.00 ATOM 2015 O ILE A 248 -20.886 30.885 77.168 1.00 0.00 ATOM 2016 C ILE A 248 -19.944 30.308 76.645 1.00 0.00 ATOM 2017 N ARG A 249 -19.603 29.083 76.992 1.00 0.00 ATOM 2018 CA ARG A 249 -20.471 28.244 77.823 1.00 0.00 ATOM 2019 CB ARG A 249 -20.038 26.785 77.814 1.00 0.00 ATOM 2020 CG ARG A 249 -18.724 26.502 78.524 1.00 0.00 ATOM 2021 CD ARG A 249 -18.370 25.063 78.609 1.00 0.00 ATOM 2022 NE ARG A 249 -17.137 24.786 79.328 1.00 0.00 ATOM 2023 CZ ARG A 249 -17.055 24.577 80.657 1.00 0.00 ATOM 2024 NH1 ARG A 249 -18.125 24.648 81.420 1.00 0.00 ATOM 2025 NH2 ARG A 249 -15.868 24.321 81.177 1.00 0.00 ATOM 2026 O ARG A 249 -21.659 28.368 79.910 1.00 0.00 ATOM 2027 C ARG A 249 -20.650 28.690 79.289 1.00 0.00 ATOM 2028 N ASN A 250 -19.756 29.557 79.744 1.00 0.00 ATOM 2029 CA ASN A 250 -19.858 30.152 81.102 1.00 0.00 ATOM 2030 CB ASN A 250 -18.605 30.927 81.466 1.00 0.00 ATOM 2031 CG ASN A 250 -17.417 30.052 81.762 1.00 0.00 ATOM 2032 ND2 ASN A 250 -16.256 30.655 81.750 1.00 0.00 ATOM 2033 OD1 ASN A 250 -17.558 28.863 82.072 1.00 0.00 ATOM 2034 O ASN A 250 -21.545 31.292 82.389 1.00 0.00 ATOM 2035 C ASN A 250 -21.077 31.063 81.271 1.00 0.00 ATOM 2036 N TRP A 251 -21.554 31.619 80.160 1.00 0.00 ATOM 2037 CA TRP A 251 -22.664 32.592 80.155 1.00 0.00 ATOM 2038 CB TRP A 251 -22.821 33.217 78.769 1.00 0.00 ATOM 2039 CG TRP A 251 -21.696 34.137 78.396 1.00 0.00 ATOM 2040 CD1 TRP A 251 -20.560 34.365 79.111 1.00 0.00 ATOM 2041 CD2 TRP A 251 -21.603 34.949 77.219 1.00 0.00 ATOM 2042 CE2 TRP A 251 -20.381 35.643 77.288 1.00 0.00 ATOM 2043 CE3 TRP A 251 -22.435 35.154 76.111 1.00 0.00 ATOM 2044 NE1 TRP A 251 -19.762 35.270 78.454 1.00 0.00 ATOM 2045 CZ2 TRP A 251 -19.971 36.525 76.301 1.00 0.00 ATOM 2046 CZ3 TRP A 251 -22.022 36.039 75.121 1.00 0.00 ATOM 2047 CH2 TRP A 251 -20.826 36.704 75.213 1.00 0.00 ATOM 2048 O TRP A 251 -24.241 30.786 80.435 1.00 0.00 ATOM 2049 C TRP A 251 -24.002 31.977 80.582 1.00 0.00 ATOM 2050 N ARG A 252 -24.929 32.861 80.944 1.00 0.00 ATOM 2051 CA ARG A 252 -26.260 32.487 81.460 1.00 0.00 ATOM 2052 CB ARG A 252 -27.026 33.688 81.994 1.00 0.00 ATOM 2053 CG ARG A 252 -26.487 34.264 83.295 1.00 0.00 ATOM 2054 CD ARG A 252 -27.202 35.475 83.771 1.00 0.00 ATOM 2055 NE ARG A 252 -26.674 36.043 85.001 1.00 0.00 ATOM 2056 CZ ARG A 252 -27.122 37.177 85.575 1.00 0.00 ATOM 2057 NH1 ARG A 252 -28.077 37.887 85.016 1.00 0.00 ATOM 2058 NH2 ARG A 252 -26.558 37.571 86.703 1.00 0.00 ATOM 2059 O ARG A 252 -27.590 30.678 80.678 1.00 0.00 ATOM 2060 C ARG A 252 -27.049 31.733 80.389 1.00 0.00 ATOM 2061 N ALA A 253 -26.966 32.209 79.144 1.00 0.00 ATOM 2062 CA ALA A 253 -27.682 31.539 78.048 1.00 0.00 ATOM 2063 CB ALA A 253 -27.612 32.405 76.781 1.00 0.00 ATOM 2064 O ALA A 253 -27.828 29.150 77.744 1.00 0.00 ATOM 2065 C ALA A 253 -27.111 30.135 77.807 1.00 0.00 ATOM 2066 N ASN A 254 -25.791 30.021 77.888 1.00 0.00 ATOM 2067 CA ASN A 254 -25.179 28.696 77.759 1.00 0.00 ATOM 2068 CB ASN A 254 -23.691 28.756 77.579 1.00 0.00 ATOM 2069 CG ASN A 254 -23.465 29.044 76.123 1.00 0.00 ATOM 2070 ND2 ASN A 254 -23.110 30.267 75.867 1.00 0.00 ATOM 2071 OD1 ASN A 254 -23.490 28.195 75.247 1.00 0.00 ATOM 2072 O ASN A 254 -24.897 26.677 78.795 1.00 0.00 ATOM 2073 C ASN A 254 -25.425 27.767 78.922 1.00 0.00 ATOM 2074 N GLN A 255 -25.581 28.329 80.106 1.00 0.00 ATOM 2075 CA GLN A 255 -25.917 27.543 81.291 1.00 0.00 ATOM 2076 CB GLN A 255 -25.749 28.384 82.558 1.00 0.00 ATOM 2077 CG GLN A 255 -24.310 28.760 82.871 1.00 0.00 ATOM 2078 CD GLN A 255 -23.431 27.546 83.092 1.00 0.00 ATOM 2079 OE1 GLN A 255 -23.806 26.612 83.806 1.00 0.00 ATOM 2080 NE2 GLN A 255 -22.250 27.552 82.484 1.00 0.00 ATOM 2081 O GLN A 255 -27.515 25.863 81.671 1.00 0.00 ATOM 2082 C GLN A 255 -27.346 26.993 81.241 1.00 0.00 ATOM 2083 N ALA A 256 -28.309 27.820 80.840 1.00 0.00 ATOM 2084 CA ALA A 256 -29.778 27.506 80.786 1.00 0.00 ATOM 2085 CB ALA A 256 -30.489 28.713 80.187 1.00 0.00 ATOM 2086 O ALA A 256 -29.290 26.115 79.068 1.00 0.00 ATOM 2087 C ALA A 256 -30.134 26.292 79.913 1.00 0.00 ENDMDL EXPDTA 2ivxA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2ivxA ATOM 1 N ALA A 1 -25.011 13.116 54.001 1.00 0.00 ATOM 2 CA ALA A 1 -24.108 13.676 52.949 1.00 0.00 ATOM 3 CB ALA A 1 -22.773 14.122 53.567 1.00 0.00 ATOM 4 O ALA A 1 -24.037 11.420 52.180 1.00 0.00 ATOM 5 C ALA A 1 -23.849 12.605 51.914 1.00 0.00 ATOM 6 N SER A 2 -23.398 13.033 50.738 1.00 0.00 ATOM 7 CA SER A 2 -22.891 12.117 49.736 1.00 0.00 ATOM 8 CB SER A 2 -22.589 12.877 48.439 1.00 0.00 ATOM 9 OG SER A 2 -23.770 13.460 47.916 1.00 0.00 ATOM 10 O SER A 2 -20.870 12.041 51.073 1.00 0.00 ATOM 11 C SER A 2 -21.623 11.441 50.276 1.00 0.00 ATOM 12 N SER A 3 -21.383 10.213 49.819 1.00 0.00 ATOM 13 CA SER A 3 -20.318 9.381 50.370 1.00 0.00 ATOM 14 CB SER A 3 -20.352 7.969 49.778 1.00 0.00 ATOM 15 OG SER A 3 -19.936 7.986 48.425 1.00 0.00 ATOM 16 O SER A 3 -18.035 9.689 50.985 1.00 0.00 ATOM 17 C SER A 3 -18.929 9.994 50.194 1.00 0.00 ATOM 18 N ARG A 4 -18.742 10.868 49.197 1.00 0.00 ATOM 19 CA ARG A 4 -17.441 11.516 49.005 1.00 0.00 ATOM 20 CB ARG A 4 -17.341 12.251 47.642 1.00 0.00 ATOM 21 CG ARG A 4 -18.210 13.518 47.500 1.00 0.00 ATOM 22 CD ARG A 4 -17.838 14.410 46.270 1.00 0.00 ATOM 23 NE ARG A 4 -16.595 15.168 46.464 1.00 0.00 ATOM 24 CZ ARG A 4 -16.248 16.282 45.807 1.00 0.00 ATOM 25 NH1 ARG A 4 -17.041 16.822 44.882 1.00 0.00 ATOM 26 NH2 ARG A 4 -15.089 16.880 46.084 1.00 0.00 ATOM 27 O ARG A 4 -15.935 12.895 50.269 1.00 0.00 ATOM 28 C ARG A 4 -17.085 12.466 50.161 1.00 0.00 ATOM 29 N TRP A 5 -18.054 12.781 51.027 1.00 0.00 ATOM 30 CA TRP A 5 -17.817 13.715 52.138 1.00 0.00 ATOM 31 CB TRP A 5 -18.915 14.799 52.186 1.00 0.00 ATOM 32 CG TRP A 5 -18.847 15.661 50.954 1.00 0.00 ATOM 33 CD1 TRP A 5 -19.783 15.771 49.971 1.00 0.00 ATOM 34 CD2 TRP A 5 -17.732 16.456 50.540 1.00 0.00 ATOM 35 CE2 TRP A 5 -18.069 17.042 49.297 1.00 0.00 ATOM 36 CE3 TRP A 5 -16.484 16.744 51.107 1.00 0.00 ATOM 37 NE1 TRP A 5 -19.329 16.612 48.972 1.00 0.00 ATOM 38 CZ2 TRP A 5 -17.202 17.903 48.613 1.00 0.00 ATOM 39 CZ3 TRP A 5 -15.627 17.600 50.434 1.00 0.00 ATOM 40 CH2 TRP A 5 -15.991 18.173 49.195 1.00 0.00 ATOM 41 O TRP A 5 -17.529 13.715 54.515 1.00 0.00 ATOM 42 C TRP A 5 -17.598 13.041 53.497 1.00 0.00 ATOM 43 N PHE A 6 -17.438 11.717 53.476 1.00 0.00 ATOM 44 CA PHE A 6 -16.872 10.992 54.602 1.00 0.00 ATOM 45 CB PHE A 6 -17.842 9.935 55.118 1.00 0.00 ATOM 46 CG PHE A 6 -19.137 10.521 55.559 1.00 0.00 ATOM 47 CD1 PHE A 6 -19.195 11.297 56.711 1.00 0.00 ATOM 48 CD2 PHE A 6 -20.287 10.358 54.798 1.00 0.00 ATOM 49 CE1 PHE A 6 -20.387 11.884 57.122 1.00 0.00 ATOM 50 CE2 PHE A 6 -21.487 10.940 55.203 1.00 0.00 ATOM 51 CZ PHE A 6 -21.535 11.700 56.366 1.00 0.00 ATOM 52 O PHE A 6 -15.408 9.853 53.076 1.00 0.00 ATOM 53 C PHE A 6 -15.538 10.404 54.176 1.00 0.00 ATOM 54 N PHE A 7 -14.558 10.551 55.061 1.00 0.00 ATOM 55 CA PHE A 7 -13.179 10.252 54.771 1.00 0.00 ATOM 56 CB PHE A 7 -12.347 11.531 54.865 1.00 0.00 ATOM 57 CG PHE A 7 -12.771 12.607 53.878 1.00 0.00 ATOM 58 CD1 PHE A 7 -12.095 12.772 52.673 1.00 0.00 ATOM 59 CD2 PHE A 7 -13.857 13.426 54.145 1.00 0.00 ATOM 60 CE1 PHE A 7 -12.488 13.747 51.760 1.00 0.00 ATOM 61 CE2 PHE A 7 -14.256 14.411 53.243 1.00 0.00 ATOM 62 CZ PHE A 7 -13.569 14.564 52.042 1.00 0.00 ATOM 63 O PHE A 7 -13.056 9.077 56.887 1.00 0.00 ATOM 64 C PHE A 7 -12.645 9.173 55.720 1.00 0.00 ATOM 65 N THR A 8 -11.737 8.357 55.189 1.00 0.00 ATOM 66 CA THR A 8 -11.038 7.332 55.953 1.00 0.00 ATOM 67 CB THR A 8 -10.407 6.269 55.001 1.00 0.00 ATOM 68 CG2 THR A 8 -11.484 5.604 54.155 1.00 0.00 ATOM 69 OG1 THR A 8 -9.458 6.901 54.131 1.00 0.00 ATOM 70 O THR A 8 -9.509 9.093 56.619 1.00 0.00 ATOM 71 C THR A 8 -9.925 7.937 56.812 1.00 0.00 ATOM 72 N ARG A 9 -9.445 7.142 57.764 1.00 0.00 ATOM 73 CA ARG A 9 -8.281 7.499 58.570 1.00 0.00 ATOM 74 CB ARG A 9 -7.891 6.333 59.491 1.00 0.00 ATOM 75 O ARG A 9 -6.443 8.893 57.903 1.00 0.00 ATOM 76 C ARG A 9 -7.092 7.871 57.677 1.00 0.00 ATOM 77 N GLU A 10 -6.827 7.044 56.665 1.00 0.00 ATOM 78 CA GLU A 10 -5.745 7.281 55.707 1.00 0.00 ATOM 79 CB GLU A 10 -5.691 6.162 54.664 1.00 0.00 ATOM 80 O GLU A 10 -4.919 9.333 54.757 1.00 0.00 ATOM 81 C GLU A 10 -5.903 8.620 54.986 1.00 0.00 ATOM 82 N GLN A 11 -7.138 8.936 54.607 1.00 0.00 ATOM 83 CA GLN A 11 -7.457 10.210 53.947 1.00 0.00 ATOM 84 CB GLN A 11 -8.888 10.194 53.427 1.00 0.00 ATOM 85 CG GLN A 11 -9.056 9.493 52.097 1.00 0.00 ATOM 86 CD GLN A 11 -10.512 9.430 51.696 1.00 0.00 ATOM 87 OE1 GLN A 11 -11.353 8.975 52.468 1.00 0.00 ATOM 88 NE2 GLN A 11 -10.823 9.906 50.497 1.00 0.00 ATOM 89 O GLN A 11 -6.836 12.470 54.446 1.00 0.00 ATOM 90 C GLN A 11 -7.278 11.410 54.871 1.00 0.00 ATOM 91 N LEU A 12 -7.623 11.232 56.144 1.00 0.00 ATOM 92 CA LEU A 12 -7.479 12.299 57.125 1.00 0.00 ATOM 93 CB LEU A 12 -8.329 11.986 58.350 1.00 0.00 ATOM 94 CG LEU A 12 -9.819 12.208 58.070 1.00 0.00 ATOM 95 CD1 LEU A 12 -10.696 11.625 59.170 1.00 0.00 ATOM 96 CD2 LEU A 12 -10.078 13.682 57.925 1.00 0.00 ATOM 97 O LEU A 12 -5.645 13.591 57.981 1.00 0.00 ATOM 98 C LEU A 12 -6.012 12.526 57.503 1.00 0.00 ATOM 99 N GLU A 13 -5.175 11.522 57.265 1.00 0.00 ATOM 100 CA GLU A 13 -3.737 11.656 57.496 1.00 0.00 ATOM 101 CB GLU A 13 -3.106 10.293 57.771 1.00 0.00 ATOM 102 CG GLU A 13 -3.519 9.693 59.108 1.00 0.00 ATOM 103 O GLU A 13 -2.350 13.302 56.443 1.00 0.00 ATOM 104 C GLU A 13 -3.067 12.318 56.294 1.00 0.00 ATOM 105 N ASN A 14 -3.313 11.770 55.110 1.00 0.00 ATOM 106 CA ASN A 14 -2.668 12.223 53.880 1.00 0.00 ATOM 107 CB ASN A 14 -2.443 11.034 52.937 1.00 0.00 ATOM 108 CG ASN A 14 -1.650 11.403 51.697 1.00 0.00 ATOM 109 ND2 ASN A 14 -1.887 10.674 50.615 1.00 0.00 ATOM 110 OD1 ASN A 14 -0.824 12.320 51.711 1.00 0.00 ATOM 111 O ASN A 14 -4.067 13.099 52.112 1.00 0.00 ATOM 112 C ASN A 14 -3.484 13.309 53.190 1.00 0.00 ATOM 113 N THR A 15 -3.490 14.481 53.819 1.00 0.00 ATOM 114 CA THR A 15 -4.271 15.618 53.355 1.00 0.00 ATOM 115 CB THR A 15 -4.734 16.484 54.533 1.00 0.00 ATOM 116 CG2 THR A 15 -5.594 15.683 55.508 1.00 0.00 ATOM 117 OG1 THR A 15 -3.586 16.997 55.219 1.00 0.00 ATOM 118 O THR A 15 -2.187 16.352 52.442 1.00 0.00 ATOM 119 C THR A 15 -3.406 16.500 52.454 1.00 0.00 ATOM 120 N PRO A 16 -4.032 17.440 51.724 1.00 0.00 ATOM 121 CA PRO A 16 -3.261 18.411 50.947 1.00 0.00 ATOM 122 CB PRO A 16 -4.347 19.337 50.384 1.00 0.00 ATOM 123 CG PRO A 16 -5.520 18.427 50.225 1.00 0.00 ATOM 124 CD PRO A 16 -5.481 17.630 51.514 1.00 0.00 ATOM 125 O PRO A 16 -1.116 19.389 51.331 1.00 0.00 ATOM 126 C PRO A 16 -2.250 19.183 51.781 1.00 0.00 ATOM 127 N SER A 17 -2.653 19.577 52.988 1.00 0.00 ATOM 128 CA SER A 17 -1.767 20.297 53.899 1.00 0.00 ATOM 129 CB SER A 17 -2.551 20.793 55.116 1.00 0.00 ATOM 130 OG SER A 17 -3.540 21.759 54.757 1.00 0.00 ATOM 131 O SER A 17 0.559 19.913 54.434 1.00 0.00 ATOM 132 C SER A 17 -0.576 19.424 54.342 1.00 0.00 ATOM 133 N ARG A 18 -0.823 18.142 54.614 1.00 0.00 ATOM 134 CA ARG A 18 0.276 17.213 54.956 1.00 0.00 ATOM 135 CB ARG A 18 -0.242 15.789 55.207 1.00 0.00 ATOM 136 CG ARG A 18 0.727 14.918 56.053 1.00 0.00 ATOM 137 CD ARG A 18 0.614 15.195 57.549 1.00 0.00 ATOM 138 NE ARG A 18 -0.762 14.968 57.982 1.00 0.00 ATOM 139 CZ ARG A 18 -1.671 15.912 58.228 1.00 0.00 ATOM 140 NH1 ARG A 18 -2.899 15.548 58.563 1.00 0.00 ATOM 141 NH2 ARG A 18 -1.363 17.207 58.186 1.00 0.00 ATOM 142 O ARG A 18 2.535 17.274 54.081 1.00 0.00 ATOM 143 C ARG A 18 1.323 17.184 53.838 1.00 0.00 ATOM 144 N ARG A 19 0.850 17.079 52.605 1.00 0.00 ATOM 145 CA ARG A 19 1.741 17.032 51.449 1.00 0.00 ATOM 146 CB ARG A 19 0.955 16.590 50.220 1.00 0.00 ATOM 147 CG ARG A 19 0.513 15.135 50.310 1.00 0.00 ATOM 148 CD ARG A 19 0.060 14.614 48.966 1.00 0.00 ATOM 149 NE ARG A 19 -1.093 15.365 48.473 1.00 0.00 ATOM 150 CZ ARG A 19 -2.352 15.167 48.854 1.00 0.00 ATOM 151 NH1 ARG A 19 -2.657 14.239 49.750 1.00 0.00 ATOM 152 NH2 ARG A 19 -3.325 15.910 48.334 1.00 0.00 ATOM 153 O ARG A 19 3.470 18.356 50.419 1.00 0.00 ATOM 154 C ARG A 19 2.499 18.342 51.190 1.00 0.00 ATOM 155 N CYS A 20 2.063 19.423 51.837 1.00 0.00 ATOM 156 CA CYS A 20 2.757 20.709 51.824 1.00 0.00 ATOM 157 CB CYS A 20 1.751 21.852 51.664 1.00 0.00 ATOM 158 SG CYS A 20 0.911 21.851 50.061 1.00 0.00 ATOM 159 O CYS A 20 4.121 22.031 53.297 1.00 0.00 ATOM 160 C CYS A 20 3.612 20.931 53.083 1.00 0.00 ATOM 161 N GLY A 21 3.788 19.884 53.893 1.00 0.00 ATOM 162 CA GLY A 21 4.692 19.926 55.042 1.00 0.00 ATOM 163 O GLY A 21 4.783 20.465 57.371 1.00 0.00 ATOM 164 C GLY A 21 4.065 20.312 56.373 1.00 0.00 ATOM 165 N VAL A 22 2.740 20.459 56.405 1.00 0.00 ATOM 166 CA VAL A 22 2.028 20.808 57.637 1.00 0.00 ATOM 167 CB VAL A 22 0.633 21.443 57.361 1.00 0.00 ATOM 168 CG1 VAL A 22 -0.053 21.849 58.671 1.00 0.00 ATOM 169 CG2 VAL A 22 0.752 22.650 56.427 1.00 0.00 ATOM 170 O VAL A 22 1.246 18.575 58.025 1.00 0.00 ATOM 171 C VAL A 22 1.846 19.551 58.477 1.00 0.00 ATOM 172 N GLU A 23 2.372 19.585 59.695 1.00 0.00 ATOM 173 CA GLU A 23 2.234 18.474 60.638 1.00 0.00 ATOM 174 CB GLU A 23 3.073 18.735 61.899 1.00 0.00 ATOM 175 CG GLU A 23 4.598 18.886 61.662 1.00 0.00 ATOM 176 CD GLU A 23 5.382 17.572 61.678 1.00 0.00 ATOM 177 OE1 GLU A 23 4.782 16.492 61.871 1.00 0.00 ATOM 178 OE2 GLU A 23 6.621 17.623 61.499 1.00 0.00 ATOM 179 O GLU A 23 -0.038 19.204 60.983 1.00 0.00 ATOM 180 C GLU A 23 0.760 18.267 61.007 1.00 0.00 ATOM 181 N ALA A 24 0.396 17.032 61.329 1.00 0.00 ATOM 182 CA ALA A 24 -1.000 16.696 61.620 1.00 0.00 ATOM 183 CB ALA A 24 -1.134 15.199 61.945 1.00 0.00 ATOM 184 O ALA A 24 -2.650 18.099 62.619 1.00 0.00 ATOM 185 C ALA A 24 -1.567 17.554 62.748 1.00 0.00 ATOM 186 N ASP A 25 -0.818 17.696 63.841 1.00 0.00 ATOM 187 CA ASP A 25 -1.290 18.512 64.954 1.00 0.00 ATOM 188 CB ASP A 25 -0.387 18.329 66.173 1.00 0.00 ATOM 189 CG ASP A 25 -0.574 16.970 66.833 1.00 0.00 ATOM 190 OD1 ASP A 25 -1.655 16.359 66.668 1.00 0.00 ATOM 191 OD2 ASP A 25 0.351 16.517 67.521 1.00 0.00 ATOM 192 O ASP A 25 -2.350 20.664 65.009 1.00 0.00 ATOM 193 C ASP A 25 -1.425 19.986 64.567 1.00 0.00 ATOM 194 N LYS A 26 -0.526 20.476 63.723 1.00 0.00 ATOM 195 CA LYS A 26 -0.620 21.866 63.260 1.00 0.00 ATOM 196 CB LYS A 26 0.643 22.286 62.496 1.00 0.00 ATOM 197 CG LYS A 26 0.594 23.713 61.933 1.00 0.00 ATOM 198 CD LYS A 26 0.503 24.749 63.038 1.00 0.00 ATOM 199 CE LYS A 26 0.691 26.168 62.510 1.00 0.00 ATOM 200 NZ LYS A 26 0.708 27.161 63.632 1.00 0.00 ATOM 201 O LYS A 26 -2.521 23.087 62.496 1.00 0.00 ATOM 202 C LYS A 26 -1.844 22.063 62.388 1.00 0.00 ATOM 203 N GLU A 27 -2.123 21.102 61.508 1.00 0.00 ATOM 204 CA GLU A 27 -3.337 21.170 60.687 1.00 0.00 ATOM 205 CB GLU A 27 -3.416 20.040 59.647 1.00 0.00 ATOM 206 CG GLU A 27 -4.580 20.235 58.672 1.00 0.00 ATOM 207 CD GLU A 27 -4.692 19.167 57.597 1.00 0.00 ATOM 208 OE1 GLU A 27 -5.746 19.138 56.926 1.00 0.00 ATOM 209 OE2 GLU A 27 -3.749 18.359 57.414 1.00 0.00 ATOM 210 O GLU A 27 -5.552 21.952 61.247 1.00 0.00 ATOM 211 C GLU A 27 -4.615 21.188 61.533 1.00 0.00 ATOM 212 N LEU A 28 -4.666 20.330 62.545 1.00 0.00 ATOM 213 CA LEU A 28 -5.788 20.326 63.475 1.00 0.00 ATOM 214 CB LEU A 28 -5.618 19.221 64.522 1.00 0.00 ATOM 215 CG LEU A 28 -6.757 19.115 65.545 1.00 0.00 ATOM 216 CD1 LEU A 28 -8.129 19.101 64.828 1.00 0.00 ATOM 217 CD2 LEU A 28 -6.548 17.894 66.445 1.00 0.00 ATOM 218 O LEU A 28 -7.034 22.250 64.209 1.00 0.00 ATOM 219 C LEU A 28 -5.936 21.698 64.147 1.00 0.00 ATOM 220 N SER A 29 -4.823 22.263 64.607 1.00 0.00 ATOM 221 CA SER A 29 -4.830 23.603 65.199 1.00 0.00 ATOM 222 CB SER A 29 -3.426 23.982 65.670 1.00 0.00 ATOM 223 OG SER A 29 -3.408 25.289 66.215 1.00 0.00 ATOM 224 O SER A 29 -6.167 25.524 64.617 1.00 0.00 ATOM 225 C SER A 29 -5.374 24.664 64.225 1.00 0.00 ATOM 226 N CYS A 30 -4.959 24.602 62.954 1.00 0.00 ATOM 227 CA CYS A 30 -5.494 25.514 61.916 1.00 0.00 ATOM 228 CB CYS A 30 -4.807 25.270 60.555 1.00 0.00 ATOM 229 SG CYS A 30 -3.071 25.799 60.485 1.00 0.00 ATOM 230 O CYS A 30 -7.712 26.403 61.693 1.00 0.00 ATOM 231 C CYS A 30 -7.008 25.398 61.768 1.00 0.00 ATOM 232 N ARG A 31 -7.522 24.172 61.714 1.00 0.00 ATOM 233 CA ARG A 31 -8.969 23.967 61.650 1.00 0.00 ATOM 234 CB ARG A 31 -9.308 22.472 61.530 1.00 0.00 ATOM 235 CG ARG A 31 -8.867 21.816 60.230 1.00 0.00 ATOM 236 CD ARG A 31 -9.095 20.282 60.257 1.00 0.00 ATOM 237 NE ARG A 31 -8.561 19.658 59.040 1.00 0.00 ATOM 238 CZ ARG A 31 -9.249 19.484 57.918 1.00 0.00 ATOM 239 NH1 ARG A 31 -10.535 19.850 57.834 1.00 0.00 ATOM 240 NH2 ARG A 31 -8.655 18.953 56.854 1.00 0.00 ATOM 241 O ARG A 31 -10.739 25.241 62.701 1.00 0.00 ATOM 242 C ARG A 31 -9.695 24.582 62.861 1.00 0.00 ATOM 243 N GLN A 32 -9.134 24.368 64.054 1.00 0.00 ATOM 244 CA GLN A 32 -9.724 24.845 65.311 1.00 0.00 ATOM 245 CB GLN A 32 -8.968 24.274 66.506 1.00 0.00 ATOM 246 CG GLN A 32 -9.051 22.744 66.648 1.00 0.00 ATOM 247 CD GLN A 32 -8.186 22.202 67.789 1.00 0.00 ATOM 248 OE1 GLN A 32 -7.207 22.840 68.219 1.00 0.00 ATOM 249 NE2 GLN A 32 -8.525 20.999 68.273 1.00 0.00 ATOM 250 O GLN A 32 -10.749 27.004 65.729 1.00 0.00 ATOM 251 C GLN A 32 -9.746 26.380 65.346 1.00 0.00 ATOM 252 N GLN A 33 -8.644 26.971 64.891 1.00 0.00 ATOM 253 CA GLN A 33 -8.517 28.425 64.792 1.00 0.00 ATOM 254 CB GLN A 33 -7.075 28.808 64.412 1.00 0.00 ATOM 255 CG GLN A 33 -6.044 28.590 65.503 1.00 0.00 ATOM 256 CD GLN A 33 -4.644 28.911 65.014 1.00 0.00 ATOM 257 OE1 GLN A 33 -4.392 30.007 64.494 1.00 0.00 ATOM 258 NE2 GLN A 33 -3.725 27.974 65.188 1.00 0.00 ATOM 259 O GLN A 33 -10.109 30.073 64.041 1.00 0.00 ATOM 260 C GLN A 33 -9.519 29.011 63.792 1.00 0.00 ATOM 261 N ALA A 34 -9.719 28.326 62.664 1.00 0.00 ATOM 262 CA ALA A 34 -10.701 28.742 61.672 1.00 0.00 ATOM 263 CB ALA A 34 -10.597 27.899 60.386 1.00 0.00 ATOM 264 O ALA A 34 -12.890 29.602 62.070 1.00 0.00 ATOM 265 C ALA A 34 -12.116 28.662 62.224 1.00 0.00 ATOM 266 N ALA A 35 -12.458 27.544 62.871 1.00 0.00 ATOM 267 CA ALA A 35 -13.783 27.421 63.508 1.00 0.00 ATOM 268 CB ALA A 35 -13.934 26.060 64.174 1.00 0.00 ATOM 269 O ALA A 35 -15.118 29.143 64.544 1.00 0.00 ATOM 270 C ALA A 35 -14.042 28.533 64.522 1.00 0.00 ATOM 271 N ASN A 36 -13.037 28.786 65.351 1.00 0.00 ATOM 272 CA ASN A 36 -13.106 29.847 66.311 1.00 0.00 ATOM 273 CB ASN A 36 -11.858 29.940 67.153 1.00 0.00 ATOM 274 CG ASN A 36 -12.052 30.876 68.314 1.00 0.00 ATOM 275 ND2 ASN A 36 -11.413 32.037 68.256 1.00 0.00 ATOM 276 OD1 ASN A 36 -12.813 30.577 69.237 1.00 0.00 ATOM 277 O ASN A 36 -14.142 31.973 66.209 1.00 0.00 ATOM 278 C ASN A 36 -13.360 31.202 65.677 1.00 0.00 ATOM 279 N LEU A 37 -12.702 31.484 64.553 1.00 0.00 ATOM 280 CA LEU A 37 -12.900 32.752 63.852 1.00 0.00 ATOM 281 CB LEU A 37 -11.834 32.935 62.751 1.00 0.00 ATOM 282 CG LEU A 37 -11.989 34.123 61.821 1.00 0.00 ATOM 283 CD1 LEU A 37 -11.941 35.434 62.628 1.00 0.00 ATOM 284 CD2 LEU A 37 -10.932 34.084 60.713 1.00 0.00 ATOM 285 O LEU A 37 -14.992 33.868 63.407 1.00 0.00 ATOM 286 C LEU A 37 -14.318 32.838 63.272 1.00 0.00 ATOM 287 N ILE A 38 -14.757 31.751 62.632 1.00 0.00 ATOM 288 CA ILE A 38 -16.073 31.664 62.017 1.00 0.00 ATOM 289 CB ILE A 38 -16.292 30.282 61.282 1.00 0.00 ATOM 290 CG1 ILE A 38 -15.410 30.188 60.028 1.00 0.00 ATOM 291 CG2 ILE A 38 -17.770 30.070 60.873 1.00 0.00 ATOM 292 CD1 ILE A 38 -15.224 28.737 59.515 1.00 0.00 ATOM 293 O ILE A 38 -18.091 32.629 62.910 1.00 0.00 ATOM 294 C ILE A 38 -17.141 31.903 63.117 1.00 0.00 ATOM 295 N GLN A 39 -16.942 31.314 64.283 1.00 0.00 ATOM 296 CA GLN A 39 -17.846 31.524 65.433 1.00 0.00 ATOM 297 CB GLN A 39 -17.398 30.644 66.618 1.00 0.00 ATOM 298 CG GLN A 39 -18.339 30.624 67.832 1.00 0.00 ATOM 299 CD GLN A 39 -19.668 29.898 67.595 1.00 0.00 ATOM 300 OE1 GLN A 39 -19.695 28.739 67.163 1.00 0.00 ATOM 301 NE2 GLN A 39 -20.772 30.550 67.949 1.00 0.00 ATOM 302 O GLN A 39 -19.000 33.562 66.010 1.00 0.00 ATOM 303 C GLN A 39 -17.909 32.985 65.859 1.00 0.00 ATOM 304 N GLU A 40 -16.745 33.604 66.030 1.00 0.00 ATOM 305 CA GLU A 40 -16.693 34.991 66.479 1.00 0.00 ATOM 306 CB GLU A 40 -15.262 35.401 66.807 1.00 0.00 ATOM 307 CG GLU A 40 -14.677 34.658 68.034 1.00 0.00 ATOM 308 CD GLU A 40 -15.285 35.064 69.379 1.00 0.00 ATOM 309 OE1 GLU A 40 -15.806 36.201 69.527 1.00 0.00 ATOM 310 OE2 GLU A 40 -15.223 34.227 70.311 1.00 0.00 ATOM 311 O GLU A 40 -18.115 36.827 65.778 1.00 0.00 ATOM 312 C GLU A 40 -17.336 35.918 65.432 1.00 0.00 ATOM 313 N MET A 41 -17.005 35.684 64.159 1.00 0.00 ATOM 314 CA MET A 41 -17.558 36.475 63.072 1.00 0.00 ATOM 315 CB MET A 41 -16.914 36.078 61.733 1.00 0.00 ATOM 316 CG MET A 41 -15.447 36.474 61.606 1.00 0.00 ATOM 317 SD MET A 41 -14.755 35.996 60.004 1.00 0.00 ATOM 318 CE MET A 41 -15.922 36.781 58.898 1.00 0.00 ATOM 319 O MET A 41 -19.788 37.334 62.822 1.00 0.00 ATOM 320 C MET A 41 -19.067 36.334 62.964 1.00 0.00 ATOM 321 N GLY A 42 -19.536 35.092 63.006 1.00 0.00 ATOM 322 CA GLY A 42 -20.967 34.795 62.959 1.00 0.00 ATOM 323 O GLY A 42 -22.813 36.082 63.763 1.00 0.00 ATOM 324 C GLY A 42 -21.758 35.497 64.041 1.00 0.00 ATOM 325 N GLN A 43 -21.226 35.458 65.265 1.00 0.00 ATOM 326 CA GLN A 43 -21.799 36.158 66.403 1.00 0.00 ATOM 327 CB GLN A 43 -20.937 35.912 67.657 1.00 0.00 ATOM 328 CG GLN A 43 -21.237 34.548 68.278 1.00 0.00 ATOM 329 CD GLN A 43 -20.250 34.078 69.335 1.00 0.00 ATOM 330 OE1 GLN A 43 -20.322 32.928 69.760 1.00 0.00 ATOM 331 NE2 GLN A 43 -19.343 34.948 69.771 1.00 0.00 ATOM 332 O GLN A 43 -23.005 38.244 66.316 1.00 0.00 ATOM 333 C GLN A 43 -21.941 37.654 66.121 1.00 0.00 ATOM 334 N ARG A 44 -20.876 38.258 65.612 1.00 0.00 ATOM 335 CA ARG A 44 -20.889 39.681 65.272 1.00 0.00 ATOM 336 CB ARG A 44 -19.481 40.140 64.910 1.00 0.00 ATOM 337 CG ARG A 44 -18.568 40.277 66.108 1.00 0.00 ATOM 338 CD ARG A 44 -17.155 40.531 65.680 1.00 0.00 ATOM 339 NE ARG A 44 -16.207 40.552 66.807 1.00 0.00 ATOM 340 CZ ARG A 44 -15.680 41.636 67.366 1.00 0.00 ATOM 341 NH1 ARG A 44 -15.995 42.862 66.945 1.00 0.00 ATOM 342 NH2 ARG A 44 -14.820 41.496 68.375 1.00 0.00 ATOM 343 O ARG A 44 -22.447 41.121 64.141 1.00 0.00 ATOM 344 C ARG A 44 -21.865 40.035 64.144 1.00 0.00 ATOM 345 N LEU A 45 -22.024 39.110 63.199 1.00 0.00 ATOM 346 CA LEU A 45 -22.965 39.230 62.091 1.00 0.00 ATOM 347 CB LEU A 45 -22.535 38.310 60.945 1.00 0.00 ATOM 348 CG LEU A 45 -21.279 38.665 60.155 1.00 0.00 ATOM 349 CD1 LEU A 45 -20.796 37.439 59.375 1.00 0.00 ATOM 350 CD2 LEU A 45 -21.527 39.887 59.238 1.00 0.00 ATOM 351 O LEU A 45 -25.341 39.048 61.719 1.00 0.00 ATOM 352 C LEU A 45 -24.404 38.898 62.509 1.00 0.00 ATOM 353 N ASN A 46 -24.586 38.463 63.758 1.00 0.00 ATOM 354 CA ASN A 46 -25.892 38.063 64.274 1.00 0.00 ATOM 355 CB ASN A 46 -26.817 39.278 64.424 1.00 0.00 ATOM 356 CG ASN A 46 -27.999 38.986 65.329 1.00 0.00 ATOM 357 ND2 ASN A 46 -29.221 39.274 64.855 1.00 0.00 ATOM 358 OD1 ASN A 46 -27.817 38.497 66.442 1.00 0.00 ATOM 359 O ASN A 46 -27.769 37.006 63.197 1.00 0.00 ATOM 360 C ASN A 46 -26.569 36.973 63.425 1.00 0.00 ATOM 361 N VAL A 47 -25.793 36.011 62.951 1.00 0.00 ATOM 362 CA VAL A 47 -26.366 34.847 62.260 1.00 0.00 ATOM 363 CB VAL A 47 -25.511 34.373 61.062 1.00 0.00 ATOM 364 CG1 VAL A 47 -24.141 33.861 61.512 1.00 0.00 ATOM 365 CG2 VAL A 47 -25.367 35.517 60.037 1.00 0.00 ATOM 366 O VAL A 47 -26.030 33.749 64.381 1.00 0.00 ATOM 367 C VAL A 47 -26.597 33.733 63.285 1.00 0.00 ATOM 368 N SER A 48 -27.447 32.786 62.913 1.00 0.00 ATOM 369 CA SER A 48 -27.804 31.672 63.782 1.00 0.00 ATOM 370 CB SER A 48 -28.942 30.882 63.153 1.00 0.00 ATOM 371 OG SER A 48 -28.539 30.276 61.939 1.00 0.00 ATOM 372 O SER A 48 -25.673 30.666 63.239 1.00 0.00 ATOM 373 C SER A 48 -26.608 30.745 64.035 1.00 0.00 ATOM 374 N GLN A 49 -26.647 30.009 65.135 1.00 0.00 ATOM 375 CA GLN A 49 -25.632 28.986 65.341 1.00 0.00 ATOM 376 CB GLN A 49 -25.822 28.274 66.685 1.00 0.00 ATOM 377 CG GLN A 49 -24.669 27.347 67.038 1.00 0.00 ATOM 378 CD GLN A 49 -23.330 28.061 67.206 1.00 0.00 ATOM 379 OE1 GLN A 49 -23.257 29.123 67.826 1.00 0.00 ATOM 380 NE2 GLN A 49 -22.260 27.460 66.669 1.00 0.00 ATOM 381 O GLN A 49 -24.555 27.466 63.857 1.00 0.00 ATOM 382 C GLN A 49 -25.617 27.961 64.211 1.00 0.00 ATOM 383 N LEU A 50 -26.789 27.632 63.658 1.00 0.00 ATOM 384 CA LEU A 50 -26.872 26.778 62.463 1.00 0.00 ATOM 385 CB LEU A 50 -28.318 26.687 61.976 1.00 0.00 ATOM 386 CG LEU A 50 -28.561 26.037 60.597 1.00 0.00 ATOM 387 CD1 LEU A 50 -27.929 24.647 60.561 1.00 0.00 ATOM 388 CD2 LEU A 50 -30.031 25.964 60.271 1.00 0.00 ATOM 389 O LEU A 50 -25.248 26.502 60.713 1.00 0.00 ATOM 390 C LEU A 50 -25.979 27.275 61.320 1.00 0.00 ATOM 391 N THR A 51 -26.113 28.552 60.979 1.00 0.00 ATOM 392 CA THR A 51 -25.300 29.194 59.929 1.00 0.00 ATOM 393 CB THR A 51 -25.671 30.680 59.808 1.00 0.00 ATOM 394 CG2 THR A 51 -24.712 31.422 58.836 1.00 0.00 ATOM 395 OG1 THR A 51 -27.024 30.785 59.331 1.00 0.00 ATOM 396 O THR A 51 -23.013 28.676 59.291 1.00 0.00 ATOM 397 C THR A 51 -23.791 29.055 60.180 1.00 0.00 ATOM 398 N ILE A 52 -23.391 29.325 61.417 1.00 0.00 ATOM 399 CA ILE A 52 -22.018 29.147 61.871 1.00 0.00 ATOM 400 CB ILE A 52 -21.865 29.603 63.336 1.00 0.00 ATOM 401 CG1 ILE A 52 -22.069 31.134 63.438 1.00 0.00 ATOM 402 CG2 ILE A 52 -20.503 29.185 63.891 1.00 0.00 ATOM 403 CD1 ILE A 52 -22.197 31.678 64.858 1.00 0.00 ATOM 404 O ILE A 52 -20.483 27.449 61.138 1.00 0.00 ATOM 405 C ILE A 52 -21.557 27.693 61.700 1.00 0.00 ATOM 406 N ASN A 53 -22.375 26.750 62.155 1.00 0.00 ATOM 407 CA ASN A 53 -22.038 25.324 62.048 1.00 0.00 ATOM 408 CB ASN A 53 -23.102 24.436 62.719 1.00 0.00 ATOM 409 CG ASN A 53 -23.179 24.624 64.233 1.00 0.00 ATOM 410 ND2 ASN A 53 -24.252 24.105 64.835 1.00 0.00 ATOM 411 OD1 ASN A 53 -22.291 25.212 64.858 1.00 0.00 ATOM 412 O ASN A 53 -20.857 24.279 60.251 1.00 0.00 ATOM 413 C ASN A 53 -21.837 24.938 60.584 1.00 0.00 ATOM 414 N THR A 54 -22.753 25.377 59.712 1.00 0.00 ATOM 415 CA THR A 54 -22.655 25.097 58.273 1.00 0.00 ATOM 416 CB THR A 54 -23.911 25.657 57.523 1.00 0.00 ATOM 417 CG2 THR A 54 -23.771 25.534 56.008 1.00 0.00 ATOM 418 OG1 THR A 54 -25.067 24.941 57.944 1.00 0.00 ATOM 419 O THR A 54 -20.624 24.897 56.947 1.00 0.00 ATOM 420 C THR A 54 -21.337 25.620 57.670 1.00 0.00 ATOM 421 N ALA A 55 -20.987 26.862 58.011 1.00 0.00 ATOM 422 CA ALA A 55 -19.731 27.474 57.560 1.00 0.00 ATOM 423 CB ALA A 55 -19.672 28.906 57.997 1.00 0.00 ATOM 424 O ALA A 55 -17.549 26.457 57.335 1.00 0.00 ATOM 425 C ALA A 55 -18.504 26.675 58.073 1.00 0.00 ATOM 426 N ILE A 56 -18.563 26.189 59.306 1.00 0.00 ATOM 427 CA ILE A 56 -17.448 25.390 59.841 1.00 0.00 ATOM 428 CB ILE A 56 -17.600 25.112 61.347 1.00 0.00 ATOM 429 CG1 ILE A 56 -17.445 26.406 62.151 1.00 0.00 ATOM 430 CG2 ILE A 56 -16.548 24.035 61.818 1.00 0.00 ATOM 431 CD1 ILE A 56 -17.807 26.259 63.657 1.00 0.00 ATOM 432 O ILE A 56 -16.164 23.671 58.774 1.00 0.00 ATOM 433 C ILE A 56 -17.290 24.086 59.049 1.00 0.00 ATOM 434 N VAL A 57 -18.400 23.426 58.714 1.00 0.00 ATOM 435 CA VAL A 57 -18.342 22.205 57.855 1.00 0.00 ATOM 436 CB VAL A 57 -19.680 21.443 57.762 1.00 0.00 ATOM 437 CG1 VAL A 57 -19.572 20.243 56.804 1.00 0.00 ATOM 438 CG2 VAL A 57 -20.131 20.970 59.146 1.00 0.00 ATOM 439 O VAL A 57 -17.014 21.771 55.909 1.00 0.00 ATOM 440 C VAL A 57 -17.806 22.532 56.449 1.00 0.00 ATOM 441 N TYR A 58 -18.250 23.631 55.834 1.00 0.00 ATOM 442 CA TYR A 58 -17.662 24.051 54.548 1.00 0.00 ATOM 443 CB TYR A 58 -18.217 25.379 54.058 1.00 0.00 ATOM 444 CG TYR A 58 -19.689 25.433 53.690 1.00 0.00 ATOM 445 CD1 TYR A 58 -20.455 24.280 53.477 1.00 0.00 ATOM 446 CD2 TYR A 58 -20.295 26.665 53.471 1.00 0.00 ATOM 447 CE1 TYR A 58 -21.801 24.375 53.137 1.00 0.00 ATOM 448 CE2 TYR A 58 -21.622 26.762 53.118 1.00 0.00 ATOM 449 CZ TYR A 58 -22.376 25.617 52.961 1.00 0.00 ATOM 450 OH TYR A 58 -23.707 25.733 52.598 1.00 0.00 ATOM 451 O TYR A 58 -15.393 23.776 53.789 1.00 0.00 ATOM 452 C TYR A 58 -16.141 24.202 54.672 1.00 0.00 ATOM 453 N MET A 59 -15.687 24.821 55.757 1.00 0.00 ATOM 454 CA MET A 59 -14.251 25.007 55.991 1.00 0.00 ATOM 455 CB MET A 59 -14.027 25.841 57.267 1.00 0.00 ATOM 456 CG MET A 59 -12.548 26.078 57.654 1.00 0.00 ATOM 457 SD MET A 59 -11.758 24.690 58.521 1.00 0.00 ATOM 458 CE MET A 59 -12.709 24.542 60.038 1.00 0.00 ATOM 459 O MET A 59 -12.543 23.412 55.388 1.00 0.00 ATOM 460 C MET A 59 -13.545 23.651 56.074 1.00 0.00 ATOM 461 N HIS A 60 -14.080 22.751 56.900 1.00 0.00 ATOM 462 CA HIS A 60 -13.465 21.420 57.056 1.00 0.00 ATOM 463 CB HIS A 60 -14.238 20.546 58.060 1.00 0.00 ATOM 464 CG HIS A 60 -13.937 20.815 59.518 1.00 0.00 ATOM 465 CD2 HIS A 60 -14.764 21.116 60.544 1.00 0.00 ATOM 466 ND1 HIS A 60 -12.688 20.636 60.082 1.00 0.00 ATOM 467 CE1 HIS A 60 -12.752 20.887 61.381 1.00 0.00 ATOM 468 NE2 HIS A 60 -14.002 21.188 61.688 1.00 0.00 ATOM 469 O HIS A 60 -12.366 20.075 55.393 1.00 0.00 ATOM 470 C HIS A 60 -13.391 20.699 55.708 1.00 0.00 ATOM 471 N ARG A 61 -14.471 20.728 54.923 1.00 0.00 ATOM 472 CA ARG A 61 -14.497 20.040 53.630 1.00 0.00 ATOM 473 CB ARG A 61 -15.918 20.011 53.058 1.00 0.00 ATOM 474 CG ARG A 61 -16.843 19.090 53.858 1.00 0.00 ATOM 475 CD ARG A 61 -18.232 19.067 53.283 1.00 0.00 ATOM 476 NE ARG A 61 -19.048 18.083 54.023 1.00 0.00 ATOM 477 CZ ARG A 61 -20.308 17.800 53.713 1.00 0.00 ATOM 478 NH1 ARG A 61 -20.896 18.412 52.685 1.00 0.00 ATOM 479 NH2 ARG A 61 -20.977 16.889 54.413 1.00 0.00 ATOM 480 O ARG A 61 -12.829 19.954 51.892 1.00 0.00 ATOM 481 C ARG A 61 -13.538 20.668 52.613 1.00 0.00 ATOM 482 N PHE A 62 -13.535 21.999 52.560 1.00 0.00 ATOM 483 CA PHE A 62 -12.641 22.756 51.674 1.00 0.00 ATOM 484 CB PHE A 62 -12.739 24.257 51.936 1.00 0.00 ATOM 485 CG PHE A 62 -11.920 25.079 50.987 1.00 0.00 ATOM 486 CD1 PHE A 62 -12.454 25.517 49.786 1.00 0.00 ATOM 487 CD2 PHE A 62 -10.602 25.382 51.273 1.00 0.00 ATOM 488 CE1 PHE A 62 -11.687 26.259 48.905 1.00 0.00 ATOM 489 CE2 PHE A 62 -9.825 26.128 50.397 1.00 0.00 ATOM 490 CZ PHE A 62 -10.361 26.561 49.213 1.00 0.00 ATOM 491 O PHE A 62 -10.528 22.004 50.894 1.00 0.00 ATOM 492 C PHE A 62 -11.206 22.281 51.864 1.00 0.00 ATOM 493 N TYR A 63 -10.784 22.134 53.120 1.00 0.00 ATOM 494 CA TYR A 63 -9.406 21.738 53.432 1.00 0.00 ATOM 495 CB TYR A 63 -8.986 22.331 54.769 1.00 0.00 ATOM 496 CG TYR A 63 -8.707 23.822 54.664 1.00 0.00 ATOM 497 CD1 TYR A 63 -7.659 24.301 53.883 1.00 0.00 ATOM 498 CD2 TYR A 63 -9.504 24.761 55.335 1.00 0.00 ATOM 499 CE1 TYR A 63 -7.381 25.677 53.791 1.00 0.00 ATOM 500 CE2 TYR A 63 -9.231 26.143 55.246 1.00 0.00 ATOM 501 CZ TYR A 63 -8.180 26.588 54.481 1.00 0.00 ATOM 502 OH TYR A 63 -7.919 27.940 54.415 1.00 0.00 ATOM 503 O TYR A 63 -7.953 19.794 53.576 1.00 0.00 ATOM 504 C TYR A 63 -9.092 20.227 53.330 1.00 0.00 ATOM 505 N MET A 64 -10.067 19.435 52.899 1.00 0.00 ATOM 506 CA MET A 64 -9.773 18.090 52.412 1.00 0.00 ATOM 507 CB MET A 64 -10.985 17.168 52.592 1.00 0.00 ATOM 508 CG MET A 64 -11.350 16.892 54.024 1.00 0.00 ATOM 509 SD MET A 64 -9.950 16.337 55.032 1.00 0.00 ATOM 510 CE MET A 64 -9.548 14.742 54.315 1.00 0.00 ATOM 511 O MET A 64 -8.858 17.066 50.442 1.00 0.00 ATOM 512 C MET A 64 -9.301 18.098 50.952 1.00 0.00 ATOM 513 N HIS A 65 -9.371 19.257 50.295 1.00 0.00 ATOM 514 CA HIS A 65 -9.032 19.384 48.873 1.00 0.00 ATOM 515 CB HIS A 65 -10.314 19.610 48.079 1.00 0.00 ATOM 516 CG HIS A 65 -11.230 18.431 48.127 1.00 0.00 ATOM 517 CD2 HIS A 65 -12.293 18.158 48.918 1.00 0.00 ATOM 518 ND1 HIS A 65 -11.043 17.322 47.335 1.00 0.00 ATOM 519 CE1 HIS A 65 -11.963 16.419 47.626 1.00 0.00 ATOM 520 NE2 HIS A 65 -12.734 16.902 48.580 1.00 0.00 ATOM 521 O HIS A 65 -7.467 20.478 47.435 1.00 0.00 ATOM 522 C HIS A 65 -7.994 20.450 48.551 1.00 0.00 ATOM 523 N HIS A 66 -7.690 21.292 49.534 1.00 0.00 ATOM 524 CA HIS A 66 -6.725 22.381 49.404 1.00 0.00 ATOM 525 CB HIS A 66 -7.441 23.717 49.178 1.00 0.00 ATOM 526 CG HIS A 66 -8.401 23.717 48.031 1.00 0.00 ATOM 527 CD2 HIS A 66 -9.746 23.577 47.995 1.00 0.00 ATOM 528 ND1 HIS A 66 -8.000 23.918 46.726 1.00 0.00 ATOM 529 CE1 HIS A 66 -9.062 23.891 45.939 1.00 0.00 ATOM 530 NE2 HIS A 66 -10.133 23.688 46.689 1.00 0.00 ATOM 531 O HIS A 66 -6.373 22.097 51.775 1.00 0.00 ATOM 532 C HIS A 66 -5.910 22.483 50.697 1.00 0.00 ATOM 533 N SER A 67 -4.702 23.020 50.578 1.00 0.00 ATOM 534 CA SER A 67 -3.780 23.173 51.709 1.00 0.00 ATOM 535 CB SER A 67 -2.339 23.069 51.214 1.00 0.00 ATOM 536 OG SER A 67 -1.384 23.317 52.239 1.00 0.00 ATOM 537 O SER A 67 -4.174 25.548 51.797 1.00 0.00 ATOM 538 C SER A 67 -3.957 24.512 52.434 1.00 0.00 ATOM 539 N PHE A 68 -3.806 24.476 53.760 1.00 0.00 ATOM 540 CA PHE A 68 -3.651 25.680 54.577 1.00 0.00 ATOM 541 CB PHE A 68 -3.546 25.321 56.065 1.00 0.00 ATOM 542 CG PHE A 68 -4.861 24.947 56.690 1.00 0.00 ATOM 543 CD1 PHE A 68 -5.793 25.926 57.018 1.00 0.00 ATOM 544 CD2 PHE A 68 -5.176 23.615 56.945 1.00 0.00 ATOM 545 CE1 PHE A 68 -7.000 25.591 57.585 1.00 0.00 ATOM 546 CE2 PHE A 68 -6.391 23.268 57.508 1.00 0.00 ATOM 547 CZ PHE A 68 -7.311 24.256 57.828 1.00 0.00 ATOM 548 O PHE A 68 -2.458 27.750 54.478 1.00 0.00 ATOM 549 C PHE A 68 -2.464 26.558 54.174 1.00 0.00 ATOM 550 N THR A 69 -1.468 25.984 53.496 1.00 0.00 ATOM 551 CA THR A 69 -0.307 26.761 53.023 1.00 0.00 ATOM 552 CB THR A 69 0.918 25.861 52.685 1.00 0.00 ATOM 553 CG2 THR A 69 1.328 25.000 53.884 1.00 0.00 ATOM 554 OG1 THR A 69 0.631 25.023 51.554 1.00 0.00 ATOM 555 O THR A 69 0.051 28.598 51.519 1.00 0.00 ATOM 556 C THR A 69 -0.639 27.607 51.790 1.00 0.00 ATOM 557 N LYS A 70 -1.678 27.216 51.053 1.00 0.00 ATOM 558 CA LYS A 70 -2.074 27.889 49.810 1.00 0.00 ATOM 559 CB LYS A 70 -2.445 26.854 48.744 1.00 0.00 ATOM 560 CG LYS A 70 -2.823 27.479 47.396 1.00 0.00 ATOM 561 CD LYS A 70 -2.191 26.781 46.220 1.00 0.00 ATOM 562 CE LYS A 70 -2.559 27.468 44.908 1.00 0.00 ATOM 563 NZ LYS A 70 -1.772 26.962 43.751 1.00 0.00 ATOM 564 O LYS A 70 -3.267 29.942 49.413 1.00 0.00 ATOM 565 C LYS A 70 -3.239 28.853 50.006 1.00 0.00 ATOM 566 N PHE A 71 -4.221 28.440 50.799 1.00 0.00 ATOM 567 CA PHE A 71 -5.378 29.279 51.078 1.00 0.00 ATOM 568 CB PHE A 71 -6.692 28.588 50.700 1.00 0.00 ATOM 569 CG PHE A 71 -6.850 28.328 49.220 1.00 0.00 ATOM 570 CD1 PHE A 71 -7.435 29.273 48.388 1.00 0.00 ATOM 571 CD2 PHE A 71 -6.442 27.130 48.674 1.00 0.00 ATOM 572 CE1 PHE A 71 -7.580 29.027 47.012 1.00 0.00 ATOM 573 CE2 PHE A 71 -6.576 26.877 47.312 1.00 0.00 ATOM 574 CZ PHE A 71 -7.160 27.828 46.486 1.00 0.00 ATOM 575 O PHE A 71 -5.527 28.737 53.411 1.00 0.00 ATOM 576 C PHE A 71 -5.393 29.618 52.555 1.00 0.00 ATOM 577 N ASN A 72 -5.293 30.914 52.841 1.00 0.00 ATOM 578 CA ASN A 72 -5.287 31.407 54.218 1.00 0.00 ATOM 579 CB ASN A 72 -5.047 32.912 54.208 1.00 0.00 ATOM 580 CG ASN A 72 -4.651 33.436 55.550 1.00 0.00 ATOM 581 ND2 ASN A 72 -3.497 34.100 55.612 1.00 0.00 ATOM 582 OD1 ASN A 72 -5.370 33.257 56.526 1.00 0.00 ATOM 583 O ASN A 72 -7.677 31.396 54.419 1.00 0.00 ATOM 584 C ASN A 72 -6.605 31.083 54.927 1.00 0.00 ATOM 585 N LYS A 73 -6.525 30.459 56.095 1.00 0.00 ATOM 586 CA LYS A 73 -7.728 30.114 56.869 1.00 0.00 ATOM 587 CB LYS A 73 -7.365 29.359 58.154 1.00 0.00 ATOM 588 CG LYS A 73 -6.456 30.091 59.091 1.00 0.00 ATOM 589 CD LYS A 73 -6.311 29.339 60.398 1.00 0.00 ATOM 590 CE LYS A 73 -5.006 29.590 61.133 1.00 0.00 ATOM 591 NZ LYS A 73 -4.469 30.993 61.106 1.00 0.00 ATOM 592 O LYS A 73 -9.829 31.190 57.342 1.00 0.00 ATOM 593 C LYS A 73 -8.612 31.324 57.194 1.00 0.00 ATOM 594 N ASN A 74 -8.010 32.505 57.304 1.00 0.00 ATOM 595 CA ASN A 74 -8.782 33.716 57.592 1.00 0.00 ATOM 596 CB ASN A 74 -7.859 34.875 57.936 1.00 0.00 ATOM 597 CG ASN A 74 -7.100 34.643 59.214 1.00 0.00 ATOM 598 ND2 ASN A 74 -5.983 35.340 59.368 1.00 0.00 ATOM 599 OD1 ASN A 74 -7.505 33.832 60.054 1.00 0.00 ATOM 600 O ASN A 74 -10.896 34.440 56.691 1.00 0.00 ATOM 601 C ASN A 74 -9.728 34.097 56.452 1.00 0.00 ATOM 602 N ILE A 75 -9.227 34.041 55.218 1.00 0.00 ATOM 603 CA ILE A 75 -10.029 34.367 54.041 1.00 0.00 ATOM 604 CB ILE A 75 -9.128 34.695 52.804 1.00 0.00 ATOM 605 CG1 ILE A 75 -9.958 35.242 51.640 1.00 0.00 ATOM 606 CG2 ILE A 75 -8.328 33.491 52.343 1.00 0.00 ATOM 607 CD1 ILE A 75 -10.565 36.580 51.898 1.00 0.00 ATOM 608 O ILE A 75 -12.167 33.554 53.371 1.00 0.00 ATOM 609 C ILE A 75 -11.046 33.265 53.740 1.00 0.00 ATOM 610 N ILE A 76 -10.649 31.998 53.917 1.00 0.00 ATOM 611 CA ILE A 76 -11.604 30.885 53.734 1.00 0.00 ATOM 612 CB ILE A 76 -10.895 29.490 53.684 1.00 0.00 ATOM 613 CG1 ILE A 76 -9.930 29.431 52.504 1.00 0.00 ATOM 614 CG2 ILE A 76 -11.908 28.357 53.617 1.00 0.00 ATOM 615 CD1 ILE A 76 -10.499 29.866 51.151 1.00 0.00 ATOM 616 O ILE A 76 -13.878 30.614 54.470 1.00 0.00 ATOM 617 C ILE A 76 -12.722 30.919 54.791 1.00 0.00 ATOM 618 N SER A 77 -12.403 31.319 56.028 1.00 0.00 ATOM 619 CA SER A 77 -13.436 31.510 57.059 1.00 0.00 ATOM 620 CB SER A 77 -12.844 31.946 58.399 1.00 0.00 ATOM 621 OG SER A 77 -12.035 30.938 59.004 1.00 0.00 ATOM 622 O SER A 77 -15.689 32.318 56.678 1.00 0.00 ATOM 623 C SER A 77 -14.480 32.554 56.565 1.00 0.00 ATOM 624 N SER A 78 -14.012 33.680 56.027 1.00 0.00 ATOM 625 CA SER A 78 -14.929 34.706 55.472 1.00 0.00 ATOM 626 CB SER A 78 -14.182 35.947 54.969 1.00 0.00 ATOM 627 OG SER A 78 -13.608 36.683 56.042 1.00 0.00 ATOM 628 O SER A 78 -16.977 34.489 54.249 1.00 0.00 ATOM 629 C SER A 78 -15.789 34.174 54.337 1.00 0.00 ATOM 630 N THR A 79 -15.166 33.396 53.465 1.00 0.00 ATOM 631 CA THR A 79 -15.813 32.851 52.277 1.00 0.00 ATOM 632 CB THR A 79 -14.778 32.106 51.370 1.00 0.00 ATOM 633 CG2 THR A 79 -15.458 31.514 50.130 1.00 0.00 ATOM 634 OG1 THR A 79 -13.745 33.015 50.932 1.00 0.00 ATOM 635 O THR A 79 -18.076 32.000 52.320 1.00 0.00 ATOM 636 C THR A 79 -16.919 31.901 52.750 1.00 0.00 ATOM 637 N ALA A 80 -16.540 31.018 53.669 1.00 0.00 ATOM 638 CA ALA A 80 -17.438 29.982 54.187 1.00 0.00 ATOM 639 CB ALA A 80 -16.696 29.111 55.164 1.00 0.00 ATOM 640 O ALA A 80 -19.817 30.196 54.589 1.00 0.00 ATOM 641 C ALA A 80 -18.674 30.623 54.833 1.00 0.00 ATOM 642 N LEU A 81 -18.452 31.672 55.631 1.00 0.00 ATOM 643 CA LEU A 81 -19.562 32.380 56.298 1.00 0.00 ATOM 644 CB LEU A 81 -19.034 33.321 57.381 1.00 0.00 ATOM 645 CG LEU A 81 -19.959 33.653 58.526 1.00 0.00 ATOM 646 CD1 LEU A 81 -20.585 32.396 59.165 1.00 0.00 ATOM 647 CD2 LEU A 81 -19.205 34.473 59.549 1.00 0.00 ATOM 648 O LEU A 81 -21.655 33.136 55.444 1.00 0.00 ATOM 649 C LEU A 81 -20.444 33.157 55.330 1.00 0.00 ATOM 650 N PHE A 82 -19.833 33.836 54.369 1.00 0.00 ATOM 651 CA PHE A 82 -20.591 34.557 53.340 1.00 0.00 ATOM 652 CB PHE A 82 -19.621 35.244 52.382 1.00 0.00 ATOM 653 CG PHE A 82 -20.286 35.987 51.272 1.00 0.00 ATOM 654 CD1 PHE A 82 -21.071 37.104 51.546 1.00 0.00 ATOM 655 CD2 PHE A 82 -20.115 35.601 49.947 1.00 0.00 ATOM 656 CE1 PHE A 82 -21.677 37.824 50.537 1.00 0.00 ATOM 657 CE2 PHE A 82 -20.733 36.312 48.930 1.00 0.00 ATOM 658 CZ PHE A 82 -21.526 37.420 49.228 1.00 0.00 ATOM 659 O PHE A 82 -22.717 33.888 52.420 1.00 0.00 ATOM 660 C PHE A 82 -21.533 33.598 52.604 1.00 0.00 ATOM 661 N LEU A 83 -21.012 32.436 52.226 1.00 0.00 ATOM 662 CA LEU A 83 -21.799 31.421 51.521 1.00 0.00 ATOM 663 CB LEU A 83 -20.872 30.329 50.980 1.00 0.00 ATOM 664 CG LEU A 83 -21.529 29.170 50.223 1.00 0.00 ATOM 665 CD1 LEU A 83 -22.350 29.662 49.024 1.00 0.00 ATOM 666 CD2 LEU A 83 -20.467 28.168 49.768 1.00 0.00 ATOM 667 O LEU A 83 -24.053 30.737 52.044 1.00 0.00 ATOM 668 C LEU A 83 -22.884 30.809 52.431 1.00 0.00 ATOM 669 N ALA A 84 -22.478 30.383 53.624 1.00 0.00 ATOM 670 CA ALA A 84 -23.379 29.765 54.603 1.00 0.00 ATOM 671 CB ALA A 84 -22.623 29.447 55.883 1.00 0.00 ATOM 672 O ALA A 84 -25.716 30.183 55.031 1.00 0.00 ATOM 673 C ALA A 84 -24.583 30.650 54.926 1.00 0.00 ATOM 674 N ALA A 85 -24.322 31.935 55.110 1.00 0.00 ATOM 675 CA ALA A 85 -25.381 32.878 55.456 1.00 0.00 ATOM 676 CB ALA A 85 -24.778 34.244 55.791 1.00 0.00 ATOM 677 O ALA A 85 -27.629 33.028 54.620 1.00 0.00 ATOM 678 C ALA A 85 -26.428 32.967 54.337 1.00 0.00 ATOM 679 N LYS A 86 -26.001 32.939 53.073 1.00 0.00 ATOM 680 CA LYS A 86 -26.949 32.904 51.953 1.00 0.00 ATOM 681 CB LYS A 86 -26.246 33.168 50.617 1.00 0.00 ATOM 682 CG LYS A 86 -25.801 34.628 50.480 1.00 0.00 ATOM 683 CD LYS A 86 -25.244 34.946 49.102 1.00 0.00 ATOM 684 CE LYS A 86 -23.942 34.294 48.824 1.00 0.00 ATOM 685 NZ LYS A 86 -23.457 34.721 47.466 1.00 0.00 ATOM 686 O LYS A 86 -28.952 31.599 51.782 1.00 0.00 ATOM 687 C LYS A 86 -27.733 31.593 51.906 1.00 0.00 ATOM 688 N VAL A 87 -27.021 30.478 52.039 1.00 0.00 ATOM 689 CA VAL A 87 -27.611 29.144 52.007 1.00 0.00 ATOM 690 CB VAL A 87 -26.507 28.056 52.115 1.00 0.00 ATOM 691 CG1 VAL A 87 -27.108 26.693 52.354 1.00 0.00 ATOM 692 CG2 VAL A 87 -25.574 28.074 50.882 1.00 0.00 ATOM 693 O VAL A 87 -29.734 28.417 52.864 1.00 0.00 ATOM 694 C VAL A 87 -28.651 28.955 53.119 1.00 0.00 ATOM 695 N GLU A 88 -28.354 29.442 54.320 1.00 0.00 ATOM 696 CA GLU A 88 -29.264 29.304 55.468 1.00 0.00 ATOM 697 CB GLU A 88 -28.477 29.155 56.774 1.00 0.00 ATOM 698 CG GLU A 88 -27.474 27.979 56.827 1.00 0.00 ATOM 699 CD GLU A 88 -28.101 26.580 56.830 1.00 0.00 ATOM 700 OE1 GLU A 88 -29.345 26.440 56.698 1.00 0.00 ATOM 701 OE2 GLU A 88 -27.319 25.607 56.912 1.00 0.00 ATOM 702 O GLU A 88 -30.901 30.677 56.626 1.00 0.00 ATOM 703 C GLU A 88 -30.297 30.460 55.567 1.00 0.00 ATOM 704 N GLU A 89 -30.489 31.178 54.459 1.00 0.00 ATOM 705 CA GLU A 89 -31.521 32.228 54.329 1.00 0.00 ATOM 706 CB GLU A 89 -32.934 31.608 54.354 1.00 0.00 ATOM 707 O GLU A 89 -32.385 33.858 55.884 1.00 0.00 ATOM 708 C GLU A 89 -31.392 33.368 55.363 1.00 0.00 ATOM 709 N GLN A 90 -30.159 33.771 55.653 1.00 0.00 ATOM 710 CA GLN A 90 -29.892 34.998 56.422 1.00 0.00 ATOM 711 CB GLN A 90 -29.828 34.749 57.926 1.00 0.00 ATOM 712 CG GLN A 90 -29.125 33.504 58.395 1.00 0.00 ATOM 713 CD GLN A 90 -29.262 33.303 59.909 1.00 0.00 ATOM 714 OE1 GLN A 90 -28.447 32.626 60.521 1.00 0.00 ATOM 715 NE2 GLN A 90 -30.269 33.912 60.511 1.00 0.00 ATOM 716 O GLN A 90 -27.613 35.846 56.517 1.00 0.00 ATOM 717 C GLN A 90 -28.648 35.680 55.863 1.00 0.00 ATOM 718 N ALA A 91 -28.798 36.044 54.594 1.00 0.00 ATOM 719 CA ALA A 91 -27.727 36.605 53.807 1.00 0.00 ATOM 720 CB ALA A 91 -28.213 36.887 52.390 1.00 0.00 ATOM 721 O ALA A 91 -27.913 38.684 55.019 1.00 0.00 ATOM 722 C ALA A 91 -27.175 37.876 54.439 1.00 0.00 ATOM 723 N ARG A 92 -25.857 38.011 54.342 1.00 0.00 ATOM 724 CA ARG A 92 -25.143 39.168 54.832 1.00 0.00 ATOM 725 CB ARG A 92 -24.216 38.757 55.983 1.00 0.00 ATOM 726 CG ARG A 92 -24.950 38.276 57.252 1.00 0.00 ATOM 727 CD ARG A 92 -25.741 39.406 57.913 1.00 0.00 ATOM 728 NE ARG A 92 -26.431 38.991 59.153 1.00 0.00 ATOM 729 CZ ARG A 92 -27.678 38.518 59.214 1.00 0.00 ATOM 730 NH1 ARG A 92 -28.441 38.405 58.124 1.00 0.00 ATOM 731 NH2 ARG A 92 -28.198 38.192 60.395 1.00 0.00 ATOM 732 O ARG A 92 -23.877 38.968 52.792 1.00 0.00 ATOM 733 C ARG A 92 -24.354 39.735 53.656 1.00 0.00 ATOM 734 N LYS A 93 -24.243 41.064 53.612 1.00 0.00 ATOM 735 CA LYS A 93 -23.478 41.741 52.558 1.00 0.00 ATOM 736 CB LYS A 93 -23.686 43.255 52.616 1.00 0.00 ATOM 737 CG LYS A 93 -25.103 43.687 52.268 1.00 0.00 ATOM 738 CD LYS A 93 -25.366 45.128 52.690 1.00 0.00 ATOM 739 O LYS A 93 -21.459 41.197 53.750 1.00 0.00 ATOM 740 C LYS A 93 -21.989 41.406 52.650 1.00 0.00 ATOM 741 N LEU A 94 -21.321 41.333 51.500 1.00 0.00 ATOM 742 CA LEU A 94 -19.883 41.005 51.477 1.00 0.00 ATOM 743 CB LEU A 94 -19.367 40.906 50.034 1.00 0.00 ATOM 744 CG LEU A 94 -17.915 40.406 49.891 1.00 0.00 ATOM 745 CD1 LEU A 94 -17.476 40.471 48.435 1.00 0.00 ATOM 746 CD2 LEU A 94 -17.725 38.998 50.445 1.00 0.00 ATOM 747 O LEU A 94 -18.149 41.684 53.043 1.00 0.00 ATOM 748 C LEU A 94 -19.079 42.043 52.295 1.00 0.00 ATOM 749 N GLU A 95 -19.481 43.306 52.201 1.00 0.00 ATOM 750 CA GLU A 95 -18.846 44.387 52.969 1.00 0.00 ATOM 751 CB GLU A 95 -19.467 45.738 52.614 1.00 0.00 ATOM 752 CG GLU A 95 -18.914 46.925 53.420 1.00 0.00 ATOM 753 CD GLU A 95 -19.461 48.263 52.976 1.00 0.00 ATOM 754 OE1 GLU A 95 -19.772 48.441 51.773 1.00 0.00 ATOM 755 OE2 GLU A 95 -19.562 49.166 53.835 1.00 0.00 ATOM 756 O GLU A 95 -18.044 44.404 55.230 1.00 0.00 ATOM 757 C GLU A 95 -18.972 44.143 54.479 1.00 0.00 ATOM 758 N HIS A 96 -20.135 43.661 54.906 1.00 0.00 ATOM 759 CA HIS A 96 -20.384 43.365 56.328 1.00 0.00 ATOM 760 CB HIS A 96 -21.856 42.999 56.538 1.00 0.00 ATOM 761 CG HIS A 96 -22.303 43.034 57.969 1.00 0.00 ATOM 762 CD2 HIS A 96 -21.685 43.473 59.092 1.00 0.00 ATOM 763 ND1 HIS A 96 -23.541 42.576 58.370 1.00 0.00 ATOM 764 CE1 HIS A 96 -23.665 42.729 59.677 1.00 0.00 ATOM 765 NE2 HIS A 96 -22.556 43.278 60.140 1.00 0.00 ATOM 766 O HIS A 96 -18.805 42.336 57.834 1.00 0.00 ATOM 767 C HIS A 96 -19.465 42.230 56.801 1.00 0.00 ATOM 768 N VAL A 97 -19.419 41.147 56.035 1.00 0.00 ATOM 769 CA VAL A 97 -18.522 40.025 56.351 1.00 0.00 ATOM 770 CB VAL A 97 -18.696 38.849 55.362 1.00 0.00 ATOM 771 CG1 VAL A 97 -17.730 37.708 55.708 1.00 0.00 ATOM 772 CG2 VAL A 97 -20.184 38.359 55.363 1.00 0.00 ATOM 773 O VAL A 97 -16.327 40.071 57.346 1.00 0.00 ATOM 774 C VAL A 97 -17.051 40.449 56.419 1.00 0.00 ATOM 775 N ILE A 98 -16.612 41.246 55.453 1.00 0.00 ATOM 776 CA ILE A 98 -15.232 41.691 55.410 1.00 0.00 ATOM 777 CB ILE A 98 -14.961 42.469 54.101 1.00 0.00 ATOM 778 CG1 ILE A 98 -14.932 41.473 52.923 1.00 0.00 ATOM 779 CG2 ILE A 98 -13.668 43.218 54.187 1.00 0.00 ATOM 780 CD1 ILE A 98 -14.842 42.133 51.520 1.00 0.00 ATOM 781 O ILE A 98 -13.839 42.381 57.260 1.00 0.00 ATOM 782 C ILE A 98 -14.882 42.564 56.633 1.00 0.00 ATOM 783 N LYS A 99 -15.782 43.467 56.984 1.00 0.00 ATOM 784 CA LYS A 99 -15.552 44.372 58.103 1.00 0.00 ATOM 785 CB LYS A 99 -16.573 45.501 58.102 1.00 0.00 ATOM 786 CG LYS A 99 -16.304 46.547 57.018 1.00 0.00 ATOM 787 CD LYS A 99 -17.309 47.671 57.073 1.00 0.00 ATOM 788 CE LYS A 99 -16.915 48.792 56.145 1.00 0.00 ATOM 789 NZ LYS A 99 -17.890 49.904 56.204 1.00 0.00 ATOM 790 O LYS A 99 -14.818 43.962 60.343 1.00 0.00 ATOM 791 C LYS A 99 -15.578 43.632 59.441 1.00 0.00 ATOM 792 N VAL A 100 -16.481 42.672 59.582 1.00 0.00 ATOM 793 CA VAL A 100 -16.501 41.813 60.773 1.00 0.00 ATOM 794 CB VAL A 100 -17.793 40.938 60.806 1.00 0.00 ATOM 795 CG1 VAL A 100 -17.642 39.750 61.717 1.00 0.00 ATOM 796 CG2 VAL A 100 -18.983 41.795 61.231 1.00 0.00 ATOM 797 O VAL A 100 -14.647 40.857 62.013 1.00 0.00 ATOM 798 C VAL A 100 -15.206 40.973 60.912 1.00 0.00 ATOM 799 N ALA A 101 -14.717 40.400 59.808 1.00 0.00 ATOM 800 CA ALA A 101 -13.456 39.649 59.830 1.00 0.00 ATOM 801 CB ALA A 101 -13.127 39.044 58.437 1.00 0.00 ATOM 802 O ALA A 101 -11.488 40.176 61.159 1.00 0.00 ATOM 803 C ALA A 101 -12.319 40.576 60.307 1.00 0.00 ATOM 804 N HIS A 102 -12.293 41.805 59.770 1.00 0.00 ATOM 805 CA HIS A 102 -11.310 42.822 60.155 1.00 0.00 ATOM 806 CB HIS A 102 -11.513 44.084 59.300 1.00 0.00 ATOM 807 CG HIS A 102 -10.487 45.152 59.520 1.00 0.00 ATOM 808 CD2 HIS A 102 -10.553 46.325 60.194 1.00 0.00 ATOM 809 ND1 HIS A 102 -9.213 45.084 58.993 1.00 0.00 ATOM 810 CE1 HIS A 102 -8.542 46.173 59.330 1.00 0.00 ATOM 811 NE2 HIS A 102 -9.331 46.942 60.058 1.00 0.00 ATOM 812 O HIS A 102 -10.364 43.258 62.341 1.00 0.00 ATOM 813 C HIS A 102 -11.387 43.168 61.663 1.00 0.00 ATOM 814 N ALA A 103 -12.607 43.315 62.178 1.00 0.00 ATOM 815 CA ALA A 103 -12.844 43.591 63.613 1.00 0.00 ATOM 816 CB ALA A 103 -14.342 43.841 63.867 1.00 0.00 ATOM 817 O ALA A 103 -11.842 42.697 65.607 1.00 0.00 ATOM 818 C ALA A 103 -12.336 42.448 64.504 1.00 0.00 ATOM 819 N CYS A 104 -12.457 41.211 64.013 1.00 0.00 ATOM 820 CA CYS A 104 -12.030 40.008 64.736 1.00 0.00 ATOM 821 CB CYS A 104 -12.722 38.751 64.168 1.00 0.00 ATOM 822 SG CYS A 104 -14.470 38.592 64.548 1.00 0.00 ATOM 823 O CYS A 104 -9.917 39.469 65.746 1.00 0.00 ATOM 824 C CYS A 104 -10.513 39.800 64.715 1.00 0.00 ATOM 825 N LEU A 105 -9.896 40.017 63.548 1.00 0.00 ATOM 826 CA LEU A 105 -8.468 39.735 63.340 1.00 0.00 ATOM 827 CB LEU A 105 -8.246 39.236 61.904 1.00 0.00 ATOM 828 CG LEU A 105 -8.895 37.912 61.512 1.00 0.00 ATOM 829 CD1 LEU A 105 -8.913 37.727 59.994 1.00 0.00 ATOM 830 CD2 LEU A 105 -8.220 36.720 62.194 1.00 0.00 ATOM 831 O LEU A 105 -6.413 40.797 64.032 1.00 0.00 ATOM 832 C LEU A 105 -7.564 40.939 63.592 1.00 0.00 ATOM 833 N HIS A 106 -8.086 42.132 63.319 1.00 0.00 ATOM 834 CA HIS A 106 -7.290 43.348 63.348 1.00 0.00 ATOM 835 CB HIS A 106 -6.986 43.782 61.915 1.00 0.00 ATOM 836 CG HIS A 106 -6.356 42.710 61.084 1.00 0.00 ATOM 837 CD2 HIS A 106 -6.820 42.020 60.018 1.00 0.00 ATOM 838 ND1 HIS A 106 -5.081 42.239 61.322 1.00 0.00 ATOM 839 CE1 HIS A 106 -4.800 41.286 60.447 1.00 0.00 ATOM 840 NE2 HIS A 106 -5.833 41.145 59.638 1.00 0.00 ATOM 841 O HIS A 106 -8.136 45.590 63.607 1.00 0.00 ATOM 842 C HIS A 106 -7.989 44.476 64.121 1.00 0.00 ATOM 843 N PRO A 107 -8.393 44.192 65.374 1.00 0.00 ATOM 844 CA PRO A 107 -9.117 45.163 66.182 1.00 0.00 ATOM 845 CB PRO A 107 -9.274 44.451 67.537 1.00 0.00 ATOM 846 CG PRO A 107 -8.207 43.444 67.573 1.00 0.00 ATOM 847 CD PRO A 107 -8.160 42.953 66.139 1.00 0.00 ATOM 848 O PRO A 107 -9.009 47.507 66.513 1.00 0.00 ATOM 849 C PRO A 107 -8.369 46.471 66.363 1.00 0.00 ATOM 850 N LEU A 108 -7.031 46.437 66.370 1.00 0.00 ATOM 851 CA LEU A 108 -6.231 47.649 66.612 1.00 0.00 ATOM 852 CB LEU A 108 -5.013 47.327 67.492 1.00 0.00 ATOM 853 CG LEU A 108 -5.298 46.611 68.814 1.00 0.00 ATOM 854 CD1 LEU A 108 -4.038 46.586 69.663 1.00 0.00 ATOM 855 CD2 LEU A 108 -6.471 47.250 69.582 1.00 0.00 ATOM 856 O LEU A 108 -5.137 49.421 65.428 1.00 0.00 ATOM 857 C LEU A 108 -5.777 48.382 65.341 1.00 0.00 ATOM 858 N GLU A 109 -6.104 47.844 64.172 1.00 0.00 ATOM 859 CA GLU A 109 -5.857 48.548 62.912 1.00 0.00 ATOM 860 CB GLU A 109 -5.828 47.558 61.753 1.00 0.00 ATOM 861 CG GLU A 109 -4.641 46.614 61.785 1.00 0.00 ATOM 862 CD GLU A 109 -3.318 47.340 61.693 1.00 0.00 ATOM 863 OE1 GLU A 109 -3.241 48.374 60.993 1.00 0.00 ATOM 864 OE2 GLU A 109 -2.347 46.889 62.334 1.00 0.00 ATOM 865 O GLU A 109 -8.038 49.472 63.257 1.00 0.00 ATOM 866 C GLU A 109 -6.956 49.585 62.678 1.00 0.00 ATOM 867 N PRO A 110 -6.702 50.579 61.806 1.00 0.00 ATOM 868 CA PRO A 110 -7.793 51.521 61.541 1.00 0.00 ATOM 869 CB PRO A 110 -7.146 52.572 60.631 1.00 0.00 ATOM 870 CG PRO A 110 -5.654 52.393 60.817 1.00 0.00 ATOM 871 CD PRO A 110 -5.511 50.907 61.003 1.00 0.00 ATOM 872 O PRO A 110 -8.688 49.751 60.224 1.00 0.00 ATOM 873 C PRO A 110 -8.918 50.808 60.807 1.00 0.00 ATOM 874 N LEU A 111 -10.113 51.388 60.839 1.00 0.00 ATOM 875 CA LEU A 111 -11.265 50.832 60.135 1.00 0.00 ATOM 876 CB LEU A 111 -12.531 51.631 60.478 1.00 0.00 ATOM 877 CG LEU A 111 -12.980 51.538 61.944 1.00 0.00 ATOM 878 CD1 LEU A 111 -14.102 52.538 62.237 1.00 0.00 ATOM 879 CD2 LEU A 111 -13.397 50.125 62.306 1.00 0.00 ATOM 880 O LEU A 111 -10.244 51.701 58.144 1.00 0.00 ATOM 881 C LEU A 111 -11.002 50.854 58.632 1.00 0.00 ATOM 882 N LEU A 112 -11.629 49.930 57.909 1.00 0.00 ATOM 883 CA LEU A 112 -11.371 49.741 56.476 1.00 0.00 ATOM 884 CB LEU A 112 -11.989 48.423 55.972 1.00 0.00 ATOM 885 CG LEU A 112 -11.353 47.103 56.429 1.00 0.00 ATOM 886 CD1 LEU A 112 -12.120 45.918 55.861 1.00 0.00 ATOM 887 CD2 LEU A 112 -9.878 46.999 56.045 1.00 0.00 ATOM 888 O LEU A 112 -13.013 51.394 55.878 1.00 0.00 ATOM 889 C LEU A 112 -11.908 50.900 55.636 1.00 0.00 ATOM 890 N ASP A 113 -11.100 51.337 54.669 1.00 0.00 ATOM 891 CA ASP A 113 -11.527 52.310 53.667 1.00 0.00 ATOM 892 CB ASP A 113 -10.336 53.159 53.208 1.00 0.00 ATOM 893 CG ASP A 113 -10.744 54.341 52.333 1.00 0.00 ATOM 894 OD1 ASP A 113 -9.890 55.216 52.107 1.00 0.00 ATOM 895 OD2 ASP A 113 -11.907 54.412 51.885 1.00 0.00 ATOM 896 O ASP A 113 -11.425 50.837 51.766 1.00 0.00 ATOM 897 C ASP A 113 -12.133 51.521 52.499 1.00 0.00 ATOM 898 N THR A 114 -13.451 51.623 52.354 1.00 0.00 ATOM 899 CA THR A 114 -14.208 50.919 51.321 1.00 0.00 ATOM 900 CB THR A 114 -15.728 51.081 51.589 1.00 0.00 ATOM 901 CG2 THR A 114 -16.539 51.051 50.306 1.00 0.00 ATOM 902 OG1 THR A 114 -16.157 50.018 52.450 1.00 0.00 ATOM 903 O THR A 114 -14.030 50.571 48.940 1.00 0.00 ATOM 904 C THR A 114 -13.867 51.349 49.885 1.00 0.00 ATOM 905 N LYS A 115 -13.369 52.573 49.737 1.00 0.00 ATOM 906 CA LYS A 115 -13.093 53.148 48.423 1.00 0.00 ATOM 907 CB LYS A 115 -13.345 54.662 48.462 1.00 0.00 ATOM 908 CG LYS A 115 -14.827 55.050 48.504 1.00 0.00 ATOM 909 CD LYS A 115 -15.531 54.569 49.766 1.00 0.00 ATOM 910 O LYS A 115 -11.355 53.199 46.768 1.00 0.00 ATOM 911 C LYS A 115 -11.673 52.866 47.910 1.00 0.00 ATOM 912 N CYS A 116 -10.827 52.259 48.739 1.00 0.00 ATOM 913 CA CYS A 116 -9.419 52.066 48.389 1.00 0.00 ATOM 914 CB CYS A 116 -8.547 52.107 49.646 1.00 0.00 ATOM 915 SG CYS A 116 -8.441 50.555 50.536 1.00 0.00 ATOM 916 O CYS A 116 -9.945 49.793 47.786 1.00 0.00 ATOM 917 C CYS A 116 -9.185 50.756 47.636 1.00 0.00 ATOM 918 N ASP A 117 -8.117 50.730 46.841 1.00 0.00 ATOM 919 CA ASP A 117 -7.792 49.585 45.977 1.00 0.00 ATOM 920 CB ASP A 117 -6.544 49.908 45.137 1.00 0.00 ATOM 921 O ASP A 117 -7.956 47.191 46.230 1.00 0.00 ATOM 922 C ASP A 117 -7.592 48.260 46.735 1.00 0.00 ATOM 923 N ALA A 118 -7.020 48.332 47.938 1.00 0.00 ATOM 924 CA ALA A 118 -6.777 47.142 48.753 1.00 0.00 ATOM 925 CB ALA A 118 -5.922 47.487 49.963 1.00 0.00 ATOM 926 O ALA A 118 -8.202 45.265 49.210 1.00 0.00 ATOM 927 C ALA A 118 -8.083 46.499 49.204 1.00 0.00 ATOM 928 N TYR A 119 -9.054 47.330 49.588 1.00 0.00 ATOM 929 CA TYR A 119 -10.384 46.834 49.947 1.00 0.00 ATOM 930 CB TYR A 119 -11.251 47.929 50.600 1.00 0.00 ATOM 931 CG TYR A 119 -12.682 47.471 50.813 1.00 0.00 ATOM 932 CD1 TYR A 119 -13.073 46.836 51.994 1.00 0.00 ATOM 933 CD2 TYR A 119 -13.630 47.622 49.804 1.00 0.00 ATOM 934 CE1 TYR A 119 -14.389 46.384 52.167 1.00 0.00 ATOM 935 CE2 TYR A 119 -14.931 47.181 49.961 1.00 0.00 ATOM 936 CZ TYR A 119 -15.310 46.561 51.140 1.00 0.00 ATOM 937 OH TYR A 119 -16.613 46.132 51.270 1.00 0.00 ATOM 938 O TYR A 119 -11.675 45.190 48.761 1.00 0.00 ATOM 939 C TYR A 119 -11.086 46.266 48.708 1.00 0.00 ATOM 940 N LEU A 120 -11.028 46.992 47.597 1.00 0.00 ATOM 941 CA LEU A 120 -11.640 46.522 46.354 1.00 0.00 ATOM 942 CB LEU A 120 -11.449 47.544 45.224 1.00 0.00 ATOM 943 CG LEU A 120 -12.161 48.891 45.426 1.00 0.00 ATOM 944 CD1 LEU A 120 -11.877 49.866 44.270 1.00 0.00 ATOM 945 CD2 LEU A 120 -13.667 48.702 45.618 1.00 0.00 ATOM 946 O LEU A 120 -11.822 44.252 45.555 1.00 0.00 ATOM 947 C LEU A 120 -11.073 45.148 45.959 1.00 0.00 ATOM 948 N GLN A 121 -9.762 44.970 46.114 1.00 0.00 ATOM 949 CA GLN A 121 -9.115 43.703 45.758 1.00 0.00 ATOM 950 CB GLN A 121 -7.592 43.857 45.742 1.00 0.00 ATOM 951 O GLN A 121 -9.727 41.421 46.186 1.00 0.00 ATOM 952 C GLN A 121 -9.530 42.543 46.670 1.00 0.00 ATOM 953 N GLN A 122 -9.683 42.772 47.975 1.00 0.00 ATOM 954 CA GLN A 122 -10.166 41.670 48.820 1.00 0.00 ATOM 955 CB GLN A 122 -9.863 41.858 50.320 1.00 0.00 ATOM 956 CG GLN A 122 -10.770 42.758 51.122 1.00 0.00 ATOM 957 CD GLN A 122 -10.288 42.897 52.566 1.00 0.00 ATOM 958 OE1 GLN A 122 -9.889 43.983 52.997 1.00 0.00 ATOM 959 NE2 GLN A 122 -10.320 41.793 53.318 1.00 0.00 ATOM 960 O GLN A 122 -12.028 40.166 48.664 1.00 0.00 ATOM 961 C GLN A 122 -11.637 41.326 48.523 1.00 0.00 ATOM 962 N THR A 123 -12.429 42.296 48.060 1.00 0.00 ATOM 963 CA THR A 123 -13.798 41.978 47.625 1.00 0.00 ATOM 964 CB THR A 123 -14.711 43.217 47.408 1.00 0.00 ATOM 965 CG2 THR A 123 -14.622 44.170 48.595 1.00 0.00 ATOM 966 OG1 THR A 123 -14.369 43.908 46.200 1.00 0.00 ATOM 967 O THR A 123 -14.498 40.095 46.309 1.00 0.00 ATOM 968 C THR A 123 -13.769 41.087 46.377 1.00 0.00 ATOM 969 N ARG A 124 -12.896 41.415 45.423 1.00 0.00 ATOM 970 CA ARG A 124 -12.731 40.608 44.214 1.00 0.00 ATOM 971 CB ARG A 124 -11.853 41.337 43.190 1.00 0.00 ATOM 972 CG ARG A 124 -12.537 42.588 42.620 1.00 0.00 ATOM 973 CD ARG A 124 -11.865 43.148 41.374 1.00 0.00 ATOM 974 NE ARG A 124 -10.887 44.202 41.674 1.00 0.00 ATOM 975 CZ ARG A 124 -9.565 44.031 41.768 1.00 0.00 ATOM 976 NH1 ARG A 124 -9.004 42.833 41.599 1.00 0.00 ATOM 977 NH2 ARG A 124 -8.790 45.074 42.045 1.00 0.00 ATOM 978 O ARG A 124 -12.692 38.213 43.984 1.00 0.00 ATOM 979 C ARG A 124 -12.195 39.200 44.526 1.00 0.00 ATOM 980 N GLU A 125 -11.222 39.102 45.429 1.00 0.00 ATOM 981 CA GLU A 125 -10.695 37.795 45.856 1.00 0.00 ATOM 982 CB GLU A 125 -9.525 37.993 46.827 1.00 0.00 ATOM 983 CG GLU A 125 -8.841 36.700 47.273 1.00 0.00 ATOM 984 CD GLU A 125 -7.747 36.945 48.308 1.00 0.00 ATOM 985 OE1 GLU A 125 -8.010 37.621 49.328 1.00 0.00 ATOM 986 OE2 GLU A 125 -6.620 36.457 48.100 1.00 0.00 ATOM 987 O GLU A 125 -11.836 35.704 46.222 1.00 0.00 ATOM 988 C GLU A 125 -11.768 36.910 46.493 1.00 0.00 ATOM 989 N LEU A 126 -12.591 37.503 47.359 1.00 0.00 ATOM 990 CA LEU A 126 -13.664 36.771 48.019 1.00 0.00 ATOM 991 CB LEU A 126 -14.322 37.646 49.082 1.00 0.00 ATOM 992 CG LEU A 126 -13.495 37.717 50.369 1.00 0.00 ATOM 993 CD1 LEU A 126 -14.082 38.732 51.332 1.00 0.00 ATOM 994 CD2 LEU A 126 -13.439 36.333 51.025 1.00 0.00 ATOM 995 O LEU A 126 -15.261 35.152 47.267 1.00 0.00 ATOM 996 C LEU A 126 -14.721 36.237 47.052 1.00 0.00 ATOM 997 N VAL A 127 -15.012 36.985 45.993 1.00 0.00 ATOM 998 CA VAL A 127 -16.017 36.530 45.027 1.00 0.00 ATOM 999 CB VAL A 127 -16.480 37.677 44.115 1.00 0.00 ATOM 1000 CG1 VAL A 127 -17.161 37.164 42.863 1.00 0.00 ATOM 1001 CG2 VAL A 127 -17.425 38.596 44.907 1.00 0.00 ATOM 1002 O VAL A 127 -16.167 34.293 44.100 1.00 0.00 ATOM 1003 C VAL A 127 -15.468 35.299 44.274 1.00 0.00 ATOM 1004 N ILE A 128 -14.200 35.373 43.882 1.00 0.00 ATOM 1005 CA ILE A 128 -13.519 34.252 43.232 1.00 0.00 ATOM 1006 CB ILE A 128 -12.103 34.668 42.756 1.00 0.00 ATOM 1007 CG1 ILE A 128 -12.214 35.507 41.485 1.00 0.00 ATOM 1008 CG2 ILE A 128 -11.232 33.441 42.499 1.00 0.00 ATOM 1009 O ILE A 128 -13.613 31.894 43.704 1.00 0.00 ATOM 1010 C ILE A 128 -13.421 33.029 44.147 1.00 0.00 ATOM 1011 N LEU A 129 -13.117 33.256 45.423 1.00 0.00 ATOM 1012 CA LEU A 129 -12.996 32.158 46.365 1.00 0.00 ATOM 1013 CB LEU A 129 -12.412 32.644 47.683 1.00 0.00 ATOM 1014 CG LEU A 129 -10.923 32.975 47.631 1.00 0.00 ATOM 1015 CD1 LEU A 129 -10.529 33.728 48.890 1.00 0.00 ATOM 1016 CD2 LEU A 129 -10.100 31.705 47.484 1.00 0.00 ATOM 1017 O LEU A 129 -14.356 30.252 46.870 1.00 0.00 ATOM 1018 C LEU A 129 -14.329 31.467 46.620 1.00 0.00 ATOM 1019 N GLU A 130 -15.430 32.222 46.564 1.00 0.00 ATOM 1020 CA GLU A 130 -16.761 31.601 46.719 1.00 0.00 ATOM 1021 CB GLU A 130 -17.870 32.662 46.743 1.00 0.00 ATOM 1022 CG GLU A 130 -19.289 32.133 47.086 1.00 0.00 ATOM 1023 CD GLU A 130 -20.399 33.113 46.709 1.00 0.00 ATOM 1024 OE1 GLU A 130 -20.239 33.868 45.726 1.00 0.00 ATOM 1025 OE2 GLU A 130 -21.445 33.141 47.397 1.00 0.00 ATOM 1026 O GLU A 130 -17.508 29.508 45.764 1.00 0.00 ATOM 1027 C GLU A 130 -16.998 30.608 45.556 1.00 0.00 ATOM 1028 N THR A 131 -16.599 30.997 44.350 1.00 0.00 ATOM 1029 CA THR A 131 -16.741 30.130 43.157 1.00 0.00 ATOM 1030 CB THR A 131 -16.330 30.849 41.864 1.00 0.00 ATOM 1031 CG2 THR A 131 -16.318 29.900 40.665 1.00 0.00 ATOM 1032 OG1 THR A 131 -17.254 31.914 41.592 1.00 0.00 ATOM 1033 O THR A 131 -16.389 27.747 43.111 1.00 0.00 ATOM 1034 C THR A 131 -15.907 28.867 43.331 1.00 0.00 ATOM 1035 N ILE A 132 -14.658 29.058 43.746 1.00 0.00 ATOM 1036 CA ILE A 132 -13.747 27.949 44.014 1.00 0.00 ATOM 1037 CB ILE A 132 -12.340 28.447 44.409 1.00 0.00 ATOM 1038 CG1 ILE A 132 -11.661 29.150 43.224 1.00 0.00 ATOM 1039 CG2 ILE A 132 -11.470 27.293 44.879 1.00 0.00 ATOM 1040 CD1 ILE A 132 -10.426 29.939 43.638 1.00 0.00 ATOM 1041 O ILE A 132 -14.280 25.814 44.955 1.00 0.00 ATOM 1042 C ILE A 132 -14.309 27.036 45.108 1.00 0.00 ATOM 1043 N MET A 133 -14.811 27.623 46.201 1.00 0.00 ATOM 1044 CA MET A 133 -15.415 26.830 47.279 1.00 0.00 ATOM 1045 CB MET A 133 -15.780 27.698 48.488 1.00 0.00 ATOM 1046 CG MET A 133 -16.532 26.925 49.584 1.00 0.00 ATOM 1047 SD MET A 133 -16.747 27.927 51.070 1.00 0.00 ATOM 1048 CE MET A 133 -15.059 27.873 51.713 1.00 0.00 ATOM 1049 O MET A 133 -16.731 24.820 47.134 1.00 0.00 ATOM 1050 C MET A 133 -16.637 26.009 46.822 1.00 0.00 ATOM 1051 N LEU A 134 -17.562 26.635 46.106 1.00 0.00 ATOM 1052 CA LEU A 134 -18.739 25.922 45.570 1.00 0.00 ATOM 1053 CB LEU A 134 -19.664 26.885 44.834 1.00 0.00 ATOM 1054 CG LEU A 134 -20.482 27.833 45.718 1.00 0.00 ATOM 1055 CD1 LEU A 134 -20.995 28.977 44.887 1.00 0.00 ATOM 1056 CD2 LEU A 134 -21.638 27.060 46.374 1.00 0.00 ATOM 1057 O LEU A 134 -18.894 23.672 44.773 1.00 0.00 ATOM 1058 C LEU A 134 -18.339 24.763 44.661 1.00 0.00 ATOM 1059 N GLN A 135 -17.353 24.985 43.789 1.00 0.00 ATOM 1060 CA GLN A 135 -16.838 23.932 42.918 1.00 0.00 ATOM 1061 CB GLN A 135 -15.808 24.493 41.927 1.00 0.00 ATOM 1062 CG GLN A 135 -16.403 25.377 40.836 1.00 0.00 ATOM 1063 CD GLN A 135 -15.339 26.213 40.122 1.00 0.00 ATOM 1064 OE1 GLN A 135 -14.167 26.200 40.516 1.00 0.00 ATOM 1065 NE2 GLN A 135 -15.743 26.955 39.092 1.00 0.00 ATOM 1066 O GLN A 135 -16.491 21.622 43.522 1.00 0.00 ATOM 1067 C GLN A 135 -16.226 22.800 43.756 1.00 0.00 ATOM 1068 N THR A 136 -15.415 23.175 44.738 1.00 0.00 ATOM 1069 CA THR A 136 -14.752 22.213 45.612 1.00 0.00 ATOM 1070 CB THR A 136 -13.794 22.944 46.592 1.00 0.00 ATOM 1071 CG2 THR A 136 -13.150 21.950 47.570 1.00 0.00 ATOM 1072 OG1 THR A 136 -12.771 23.584 45.807 1.00 0.00 ATOM 1073 O THR A 136 -15.622 20.148 46.477 1.00 0.00 ATOM 1074 C THR A 136 -15.767 21.369 46.372 1.00 0.00 ATOM 1075 N LEU A 137 -16.794 22.038 46.895 1.00 0.00 ATOM 1076 CA LEU A 137 -17.869 21.370 47.624 1.00 0.00 ATOM 1077 CB LEU A 137 -18.670 22.399 48.407 1.00 0.00 ATOM 1078 CG LEU A 137 -17.935 23.104 49.544 1.00 0.00 ATOM 1079 CD1 LEU A 137 -18.860 24.158 50.145 1.00 0.00 ATOM 1080 CD2 LEU A 137 -17.413 22.109 50.604 1.00 0.00 ATOM 1081 O LEU A 137 -19.722 19.872 47.268 1.00 0.00 ATOM 1082 C LEU A 137 -18.823 20.540 46.745 1.00 0.00 ATOM 1083 N GLY A 138 -18.650 20.584 45.424 1.00 0.00 ATOM 1084 CA GLY A 138 -19.558 19.888 44.516 1.00 0.00 ATOM 1085 O GLY A 138 -21.915 19.823 44.153 1.00 0.00 ATOM 1086 C GLY A 138 -20.959 20.487 44.504 1.00 0.00 ATOM 1087 N PHE A 139 -21.068 21.745 44.930 1.00 0.00 ATOM 1088 CA PHE A 139 -22.355 22.427 45.072 1.00 0.00 ATOM 1089 CB PHE A 139 -23.021 22.621 43.708 1.00 0.00 ATOM 1090 CG PHE A 139 -22.196 23.451 42.767 1.00 0.00 ATOM 1091 CD1 PHE A 139 -21.214 22.862 41.983 1.00 0.00 ATOM 1092 CD2 PHE A 139 -22.360 24.831 42.705 1.00 0.00 ATOM 1093 CE1 PHE A 139 -20.442 23.630 41.126 1.00 0.00 ATOM 1094 CE2 PHE A 139 -21.579 25.604 41.854 1.00 0.00 ATOM 1095 CZ PHE A 139 -20.626 25.003 41.068 1.00 0.00 ATOM 1096 O PHE A 139 -24.457 22.051 46.166 1.00 0.00 ATOM 1097 C PHE A 139 -23.273 21.754 46.107 1.00 0.00 ATOM 1098 N GLU A 140 -22.689 20.917 46.961 1.00 0.00 ATOM 1099 CA GLU A 140 -23.439 20.237 48.015 1.00 0.00 ATOM 1100 CB GLU A 140 -22.888 18.832 48.296 1.00 0.00 ATOM 1101 CG GLU A 140 -23.676 18.110 49.410 1.00 0.00 ATOM 1102 CD GLU A 140 -23.505 16.595 49.455 1.00 0.00 ATOM 1103 OE1 GLU A 140 -23.165 15.957 48.440 1.00 0.00 ATOM 1104 OE2 GLU A 140 -23.774 16.023 50.535 1.00 0.00 ATOM 1105 O GLU A 140 -22.630 21.051 50.147 1.00 0.00 ATOM 1106 C GLU A 140 -23.442 21.166 49.224 1.00 0.00 ATOM 1107 N ILE A 141 -24.368 22.126 49.175 1.00 0.00 ATOM 1108 CA ILE A 141 -24.440 23.210 50.156 1.00 0.00 ATOM 1109 CB ILE A 141 -24.920 24.529 49.479 1.00 0.00 ATOM 1110 CG1 ILE A 141 -26.269 24.350 48.768 1.00 0.00 ATOM 1111 CG2 ILE A 141 -23.860 24.986 48.484 1.00 0.00 ATOM 1112 CD1 ILE A 141 -26.726 25.546 47.892 1.00 0.00 ATOM 1113 O ILE A 141 -25.204 23.527 52.412 1.00 0.00 ATOM 1114 C ILE A 141 -25.309 22.873 51.366 1.00 0.00 ATOM 1115 N THR A 142 -26.157 21.862 51.202 1.00 0.00 ATOM 1116 CA THR A 142 -27.056 21.384 52.266 1.00 0.00 ATOM 1117 CB THR A 142 -28.212 20.569 51.671 1.00 0.00 ATOM 1118 CG2 THR A 142 -29.234 20.180 52.755 1.00 0.00 ATOM 1119 OG1 THR A 142 -28.880 21.343 50.674 1.00 0.00 ATOM 1120 O THR A 142 -25.838 19.417 52.902 1.00 0.00 ATOM 1121 C THR A 142 -26.291 20.517 53.260 1.00 0.00 ATOM 1122 N ILE A 143 -26.157 21.006 54.500 1.00 0.00 ATOM 1123 CA ILE A 143 -25.439 20.304 55.567 1.00 0.00 ATOM 1124 CB ILE A 143 -24.286 21.153 56.153 1.00 0.00 ATOM 1125 CG1 ILE A 143 -23.401 21.730 55.048 1.00 0.00 ATOM 1126 CG2 ILE A 143 -23.455 20.300 57.153 1.00 0.00 ATOM 1127 CD1 ILE A 143 -22.741 20.681 54.200 1.00 0.00 ATOM 1128 O ILE A 143 -27.126 20.751 57.217 1.00 0.00 ATOM 1129 C ILE A 143 -26.357 19.917 56.736 1.00 0.00 ATOM 1130 N GLU A 144 -26.276 18.653 57.152 1.00 0.00 ATOM 1131 CA GLU A 144 -26.985 18.132 58.337 1.00 0.00 ATOM 1132 CB GLU A 144 -27.479 16.705 58.074 1.00 0.00 ATOM 1133 CG GLU A 144 -28.453 16.552 56.868 1.00 0.00 ATOM 1134 CD GLU A 144 -29.050 15.146 56.718 1.00 0.00 ATOM 1135 OE1 GLU A 144 -29.450 14.775 55.586 1.00 0.00 ATOM 1136 OE2 GLU A 144 -29.130 14.399 57.716 1.00 0.00 ATOM 1137 O GLU A 144 -24.901 17.646 59.386 1.00 0.00 ATOM 1138 C GLU A 144 -26.023 18.134 59.528 1.00 0.00 ATOM 1139 N HIS A 145 -26.455 18.653 60.690 1.00 0.00 ATOM 1140 CA HIS A 145 -25.604 18.759 61.886 1.00 0.00 ATOM 1141 CB HIS A 145 -25.543 20.198 62.394 1.00 0.00 ATOM 1142 CG HIS A 145 -25.011 21.168 61.388 1.00 0.00 ATOM 1143 CD2 HIS A 145 -25.641 22.102 60.646 1.00 0.00 ATOM 1144 ND1 HIS A 145 -23.685 21.218 61.029 1.00 0.00 ATOM 1145 CE1 HIS A 145 -23.520 22.152 60.112 1.00 0.00 ATOM 1146 NE2 HIS A 145 -24.693 22.708 59.865 1.00 0.00 ATOM 1147 O HIS A 145 -27.351 17.635 63.073 1.00 0.00 ATOM 1148 C HIS A 145 -26.144 17.904 63.030 1.00 0.00 ATOM 1149 N PRO A 146 -25.261 17.479 63.943 1.00 0.00 ATOM 1150 CA PRO A 146 -25.712 16.653 65.079 1.00 0.00 ATOM 1151 CB PRO A 146 -24.419 16.360 65.847 1.00 0.00 ATOM 1152 CG PRO A 146 -23.408 17.359 65.352 1.00 0.00 ATOM 1153 CD PRO A 146 -23.797 17.676 63.953 1.00 0.00 ATOM 1154 O PRO A 146 -27.593 16.684 66.571 1.00 0.00 ATOM 1155 C PRO A 146 -26.737 17.349 65.974 1.00 0.00 ATOM 1156 N HIS A 147 -26.669 18.670 66.034 1.00 0.00 ATOM 1157 CA HIS A 147 -27.499 19.470 66.961 1.00 0.00 ATOM 1158 CB HIS A 147 -27.231 20.967 66.743 1.00 0.00 ATOM 1159 CG HIS A 147 -25.799 21.367 66.991 1.00 0.00 ATOM 1160 CD2 HIS A 147 -25.234 22.106 67.975 1.00 0.00 ATOM 1161 ND1 HIS A 147 -24.760 20.976 66.171 1.00 0.00 ATOM 1162 CE1 HIS A 147 -23.628 21.479 66.619 1.00 0.00 ATOM 1163 NE2 HIS A 147 -23.882 22.161 67.721 1.00 0.00 ATOM 1164 O HIS A 147 -29.691 19.042 67.873 1.00 0.00 ATOM 1165 C HIS A 147 -28.997 19.159 66.859 1.00 0.00 ATOM 1166 N THR A 148 -29.510 19.015 65.643 1.00 0.00 ATOM 1167 CA THR A 148 -30.929 18.760 65.487 1.00 0.00 ATOM 1168 CB THR A 148 -31.410 18.899 64.019 1.00 0.00 ATOM 1169 CG2 THR A 148 -31.489 20.371 63.638 1.00 0.00 ATOM 1170 OG1 THR A 148 -30.483 18.246 63.155 1.00 0.00 ATOM 1171 O THR A 148 -32.358 17.300 66.714 1.00 0.00 ATOM 1172 C THR A 148 -31.319 17.405 66.084 1.00 0.00 ATOM 1173 N ASP A 149 -30.466 16.395 65.910 1.00 0.00 ATOM 1174 CA ASP A 149 -30.648 15.077 66.531 1.00 0.00 ATOM 1175 CB ASP A 149 -29.677 14.064 65.909 1.00 0.00 ATOM 1176 CG ASP A 149 -29.782 14.025 64.382 1.00 0.00 ATOM 1177 OD1 ASP A 149 -30.882 13.736 63.879 1.00 0.00 ATOM 1178 OD2 ASP A 149 -28.785 14.347 63.689 1.00 0.00 ATOM 1179 O ASP A 149 -31.192 14.453 68.799 1.00 0.00 ATOM 1180 C ASP A 149 -30.472 15.130 68.055 1.00 0.00 ATOM 1181 N VAL A 150 -29.526 15.939 68.515 1.00 0.00 ATOM 1182 CA VAL A 150 -29.310 16.126 69.955 1.00 0.00 ATOM 1183 CB VAL A 150 -28.057 17.007 70.221 1.00 0.00 ATOM 1184 CG1 VAL A 150 -27.988 17.498 71.680 1.00 0.00 ATOM 1185 CG2 VAL A 150 -26.774 16.230 69.870 1.00 0.00 ATOM 1186 O VAL A 150 -31.035 16.093 71.634 1.00 0.00 ATOM 1187 C VAL A 150 -30.553 16.670 70.647 1.00 0.00 ATOM 1188 N VAL A 151 -31.083 17.774 70.130 1.00 0.00 ATOM 1189 CA VAL A 151 -32.258 18.414 70.721 1.00 0.00 ATOM 1190 CB VAL A 151 -32.596 19.723 69.987 1.00 0.00 ATOM 1191 CG1 VAL A 151 -33.966 20.266 70.452 1.00 0.00 ATOM 1192 CG2 VAL A 151 -31.460 20.748 70.177 1.00 0.00 ATOM 1193 O VAL A 151 -34.180 17.358 71.738 1.00 0.00 ATOM 1194 C VAL A 151 -33.474 17.482 70.722 1.00 0.00 ATOM 1195 N LYS A 152 -33.712 16.818 69.589 1.00 0.00 ATOM 1196 CA LYS A 152 -34.792 15.830 69.488 1.00 0.00 ATOM 1197 CB LYS A 152 -34.789 15.174 68.099 1.00 0.00 ATOM 1198 CG LYS A 152 -35.352 16.074 67.015 1.00 0.00 ATOM 1199 CD LYS A 152 -35.062 15.525 65.613 1.00 0.00 ATOM 1200 CE LYS A 152 -35.782 16.309 64.538 1.00 0.00 ATOM 1201 NZ LYS A 152 -35.109 16.142 63.214 1.00 0.00 ATOM 1202 O LYS A 152 -35.689 14.422 71.231 1.00 0.00 ATOM 1203 C LYS A 152 -34.703 14.752 70.568 1.00 0.00 ATOM 1204 N CYS A 153 -33.509 14.203 70.744 1.00 0.00 ATOM 1205 CA CYS A 153 -33.302 13.145 71.725 1.00 0.00 ATOM 1206 CB CYS A 153 -31.940 12.491 71.497 1.00 0.00 ATOM 1207 SG CYS A 153 -31.561 11.197 72.665 1.00 0.00 ATOM 1208 O CYS A 153 -34.128 13.034 73.987 1.00 0.00 ATOM 1209 C CYS A 153 -33.431 13.658 73.164 1.00 0.00 ATOM 1210 N THR A 154 -32.785 14.783 73.477 1.00 0.00 ATOM 1211 CA THR A 154 -32.795 15.308 74.863 1.00 0.00 ATOM 1212 CB THR A 154 -31.782 16.474 75.127 1.00 0.00 ATOM 1213 CG2 THR A 154 -30.350 16.021 74.915 1.00 0.00 ATOM 1214 OG1 THR A 154 -32.056 17.602 74.296 1.00 0.00 ATOM 1215 O THR A 154 -34.559 15.455 76.464 1.00 0.00 ATOM 1216 C THR A 154 -34.203 15.679 75.312 1.00 0.00 ATOM 1217 N GLN A 155 -35.016 16.201 74.398 1.00 0.00 ATOM 1218 CA GLN A 155 -36.433 16.463 74.702 1.00 0.00 ATOM 1219 CB GLN A 155 -37.081 17.280 73.583 1.00 0.00 ATOM 1220 CG GLN A 155 -36.583 18.728 73.539 1.00 0.00 ATOM 1221 CD GLN A 155 -37.048 19.494 72.322 1.00 0.00 ATOM 1222 OE1 GLN A 155 -37.676 18.931 71.418 1.00 0.00 ATOM 1223 NE2 GLN A 155 -36.736 20.794 72.282 1.00 0.00 ATOM 1224 O GLN A 155 -37.988 15.092 75.946 1.00 0.00 ATOM 1225 C GLN A 155 -37.221 15.167 74.973 1.00 0.00 ATOM 1226 N LEU A 156 -37.033 14.152 74.133 1.00 0.00 ATOM 1227 CA LEU A 156 -37.732 12.866 74.301 1.00 0.00 ATOM 1228 CB LEU A 156 -37.592 11.990 73.048 1.00 0.00 ATOM 1229 CG LEU A 156 -38.348 12.498 71.819 1.00 0.00 ATOM 1230 CD1 LEU A 156 -37.965 11.686 70.573 1.00 0.00 ATOM 1231 CD2 LEU A 156 -39.875 12.461 72.044 1.00 0.00 ATOM 1232 O LEU A 156 -38.212 11.422 76.156 1.00 0.00 ATOM 1233 C LEU A 156 -37.340 12.062 75.542 1.00 0.00 ATOM 1234 N VAL A 157 -36.063 12.101 75.931 1.00 0.00 ATOM 1235 CA VAL A 157 -35.623 11.428 77.160 1.00 0.00 ATOM 1236 CB VAL A 157 -34.164 10.906 77.066 1.00 0.00 ATOM 1237 CG1 VAL A 157 -33.972 10.059 75.798 1.00 0.00 ATOM 1238 CG2 VAL A 157 -33.149 12.051 77.148 1.00 0.00 ATOM 1239 O VAL A 157 -35.374 11.866 79.512 1.00 0.00 ATOM 1240 C VAL A 157 -35.820 12.268 78.437 1.00 0.00 ATOM 1241 N ARG A 158 -36.485 13.423 78.318 1.00 0.00 ATOM 1242 CA ARG A 158 -36.768 14.294 79.472 1.00 0.00 ATOM 1243 CB ARG A 158 -37.767 13.653 80.453 1.00 0.00 ATOM 1244 CG ARG A 158 -39.178 13.559 79.933 1.00 0.00 ATOM 1245 CD ARG A 158 -40.120 13.063 81.034 1.00 0.00 ATOM 1246 NE ARG A 158 -41.519 13.064 80.596 1.00 0.00 ATOM 1247 CZ ARG A 158 -42.088 12.103 79.866 1.00 0.00 ATOM 1248 NH1 ARG A 158 -43.368 12.212 79.520 1.00 0.00 ATOM 1249 NH2 ARG A 158 -41.390 11.038 79.474 1.00 0.00 ATOM 1250 O ARG A 158 -35.408 14.679 81.446 1.00 0.00 ATOM 1251 C ARG A 158 -35.497 14.711 80.200 1.00 0.00 ATOM 1252 N ALA A 159 -34.508 15.120 79.408 1.00 0.00 ATOM 1253 CA ALA A 159 -33.256 15.612 79.949 1.00 0.00 ATOM 1254 CB ALA A 159 -32.272 15.920 78.813 1.00 0.00 ATOM 1255 O ALA A 159 -34.409 17.659 80.463 1.00 0.00 ATOM 1256 C ALA A 159 -33.524 16.864 80.778 1.00 0.00 ATOM 1257 N SER A 160 -32.758 17.035 81.840 1.00 0.00 ATOM 1258 CA SER A 160 -32.739 18.283 82.563 1.00 0.00 ATOM 1259 CB SER A 160 -31.833 18.183 83.790 1.00 0.00 ATOM 1260 OG SER A 160 -30.486 17.955 83.411 1.00 0.00 ATOM 1261 O SER A 160 -31.589 19.052 80.577 1.00 0.00 ATOM 1262 C SER A 160 -32.211 19.358 81.614 1.00 0.00 ATOM 1263 N LYS A 161 -32.462 20.609 81.960 1.00 0.00 ATOM 1264 CA LYS A 161 -31.964 21.710 81.133 1.00 0.00 ATOM 1265 CB LYS A 161 -32.537 23.061 81.587 1.00 0.00 ATOM 1266 CG LYS A 161 -32.117 23.528 82.973 1.00 0.00 ATOM 1267 CD LYS A 161 -33.016 24.627 83.500 1.00 0.00 ATOM 1268 CE LYS A 161 -33.029 25.845 82.599 1.00 0.00 ATOM 1269 NZ LYS A 161 -33.691 27.002 83.278 1.00 0.00 ATOM 1270 O LYS A 161 -29.854 21.941 80.034 1.00 0.00 ATOM 1271 C LYS A 161 -30.429 21.681 81.084 1.00 0.00 ATOM 1272 N ASP A 162 -29.785 21.335 82.207 1.00 0.00 ATOM 1273 CA ASP A 162 -28.325 21.219 82.249 1.00 0.00 ATOM 1274 CB ASP A 162 -27.816 20.977 83.686 1.00 0.00 ATOM 1275 CG ASP A 162 -27.835 22.238 84.558 1.00 0.00 ATOM 1276 OD1 ASP A 162 -27.560 22.107 85.772 1.00 0.00 ATOM 1277 OD2 ASP A 162 -28.123 23.353 84.061 1.00 0.00 ATOM 1278 O ASP A 162 -26.874 20.310 80.561 1.00 0.00 ATOM 1279 C ASP A 162 -27.837 20.107 81.307 1.00 0.00 ATOM 1280 N LEU A 163 -28.509 18.949 81.308 1.00 0.00 ATOM 1281 CA LEU A 163 -28.098 17.856 80.428 1.00 0.00 ATOM 1282 CB LEU A 163 -28.839 16.536 80.755 1.00 0.00 ATOM 1283 CG LEU A 163 -28.565 15.383 79.782 1.00 0.00 ATOM 1284 CD1 LEU A 163 -27.091 14.958 79.847 1.00 0.00 ATOM 1285 CD2 LEU A 163 -29.481 14.165 79.996 1.00 0.00 ATOM 1286 O LEU A 163 -27.463 17.984 78.102 1.00 0.00 ATOM 1287 C LEU A 163 -28.314 18.245 78.955 1.00 0.00 ATOM 1288 N ALA A 164 -29.449 18.886 78.660 1.00 0.00 ATOM 1289 CA ALA A 164 -29.724 19.313 77.287 1.00 0.00 ATOM 1290 CB ALA A 164 -31.145 19.930 77.198 1.00 0.00 ATOM 1291 O ALA A 164 -28.148 20.160 75.654 1.00 0.00 ATOM 1292 C ALA A 164 -28.668 20.304 76.779 1.00 0.00 ATOM 1293 N GLN A 165 -28.342 21.280 77.627 1.00 0.00 ATOM 1294 CA GLN A 165 -27.364 22.322 77.315 1.00 0.00 ATOM 1295 CB GLN A 165 -27.368 23.410 78.406 1.00 0.00 ATOM 1296 CG GLN A 165 -28.573 24.332 78.299 1.00 0.00 ATOM 1297 CD GLN A 165 -28.837 25.179 79.551 1.00 0.00 ATOM 1298 OE1 GLN A 165 -28.012 25.254 80.472 1.00 0.00 ATOM 1299 NE2 GLN A 165 -30.011 25.795 79.597 1.00 0.00 ATOM 1300 O GLN A 165 -25.243 22.090 76.243 1.00 0.00 ATOM 1301 C GLN A 165 -25.968 21.736 77.155 1.00 0.00 ATOM 1302 N THR A 166 -25.618 20.809 78.041 1.00 0.00 ATOM 1303 CA THR A 166 -24.321 20.175 77.982 1.00 0.00 ATOM 1304 CB THR A 166 -24.075 19.253 79.204 1.00 0.00 ATOM 1305 CG2 THR A 166 -22.706 18.575 79.081 1.00 0.00 ATOM 1306 OG1 THR A 166 -24.135 20.029 80.410 1.00 0.00 ATOM 1307 O THR A 166 -23.094 19.448 76.055 1.00 0.00 ATOM 1308 C THR A 166 -24.152 19.384 76.682 1.00 0.00 ATOM 1309 N SER A 167 -25.205 18.677 76.283 1.00 0.00 ATOM 1310 CA SER A 167 -25.201 17.857 75.047 1.00 0.00 ATOM 1311 CB SER A 167 -26.480 17.024 74.936 1.00 0.00 ATOM 1312 OG SER A 167 -26.575 16.126 76.017 1.00 0.00 ATOM 1313 O SER A 167 -24.214 18.488 72.955 1.00 0.00 ATOM 1314 C SER A 167 -25.037 18.754 73.827 1.00 0.00 ATOM 1315 N TYR A 168 -25.787 19.857 73.791 1.00 0.00 ATOM 1316 CA TYR A 168 -25.702 20.794 72.668 1.00 0.00 ATOM 1317 CB TYR A 168 -26.821 21.863 72.789 1.00 0.00 ATOM 1318 CG TYR A 168 -27.009 22.792 71.593 1.00 0.00 ATOM 1319 CD1 TYR A 168 -28.142 22.704 70.763 1.00 0.00 ATOM 1320 CD2 TYR A 168 -26.098 23.807 71.344 1.00 0.00 ATOM 1321 CE1 TYR A 168 -28.332 23.621 69.703 1.00 0.00 ATOM 1322 CE2 TYR A 168 -26.262 24.698 70.289 1.00 0.00 ATOM 1323 CZ TYR A 168 -27.379 24.607 69.471 1.00 0.00 ATOM 1324 OH TYR A 168 -27.490 25.529 68.430 1.00 0.00 ATOM 1325 O TYR A 168 -23.707 21.540 71.542 1.00 0.00 ATOM 1326 C TYR A 168 -24.297 21.428 72.603 1.00 0.00 ATOM 1327 N PHE A 169 -23.784 21.842 73.750 1.00 0.00 ATOM 1328 CA PHE A 169 -22.452 22.446 73.868 1.00 0.00 ATOM 1329 CB PHE A 169 -22.209 22.776 75.351 1.00 0.00 ATOM 1330 CG PHE A 169 -20.980 23.591 75.626 1.00 0.00 ATOM 1331 CD1 PHE A 169 -20.741 24.784 74.953 1.00 0.00 ATOM 1332 CD2 PHE A 169 -20.079 23.194 76.611 1.00 0.00 ATOM 1333 CE1 PHE A 169 -19.638 25.560 75.245 1.00 0.00 ATOM 1334 CE2 PHE A 169 -18.960 23.959 76.900 1.00 0.00 ATOM 1335 CZ PHE A 169 -18.728 25.133 76.213 1.00 0.00 ATOM 1336 O PHE A 169 -20.461 21.958 72.591 1.00 0.00 ATOM 1337 C PHE A 169 -21.358 21.522 73.326 1.00 0.00 ATOM 1338 N MET A 170 -21.459 20.241 73.668 1.00 0.00 ATOM 1339 CA MET A 170 -20.473 19.279 73.227 1.00 0.00 ATOM 1340 CB MET A 170 -20.581 17.978 73.997 1.00 0.00 ATOM 1341 CG MET A 170 -20.190 18.134 75.483 1.00 0.00 ATOM 1342 SD MET A 170 -18.640 19.043 75.722 1.00 0.00 ATOM 1343 CE MET A 170 -17.467 17.806 75.241 1.00 0.00 ATOM 1344 O MET A 170 -19.573 18.878 71.075 1.00 0.00 ATOM 1345 C MET A 170 -20.582 19.063 71.719 1.00 0.00 ATOM 1346 N ALA A 171 -21.795 19.157 71.170 1.00 0.00 ATOM 1347 CA ALA A 171 -21.987 19.094 69.708 1.00 0.00 ATOM 1348 CB ALA A 171 -23.489 19.058 69.344 1.00 0.00 ATOM 1349 O ALA A 171 -20.569 20.064 68.016 1.00 0.00 ATOM 1350 C ALA A 171 -21.270 20.260 69.004 1.00 0.00 ATOM 1351 N THR A 172 -21.425 21.465 69.531 1.00 0.00 ATOM 1352 CA THR A 172 -20.736 22.618 68.970 1.00 0.00 ATOM 1353 CB THR A 172 -21.180 23.955 69.638 1.00 0.00 ATOM 1354 CG2 THR A 172 -20.507 25.141 68.935 1.00 0.00 ATOM 1355 OG1 THR A 172 -22.618 24.110 69.554 1.00 0.00 ATOM 1356 O THR A 172 -18.457 22.630 68.137 1.00 0.00 ATOM 1357 C THR A 172 -19.214 22.428 69.094 1.00 0.00 ATOM 1358 N ASN A 173 -18.768 22.053 70.279 1.00 0.00 ATOM 1359 CA ASN A 173 -17.367 21.726 70.514 1.00 0.00 ATOM 1360 CB ASN A 173 -17.124 21.333 71.970 1.00 0.00 ATOM 1361 CG ASN A 173 -17.033 22.530 72.891 1.00 0.00 ATOM 1362 ND2 ASN A 173 -17.890 22.575 73.905 1.00 0.00 ATOM 1363 OD1 ASN A 173 -16.174 23.387 72.714 1.00 0.00 ATOM 1364 O ASN A 173 -15.668 20.763 69.113 1.00 0.00 ATOM 1365 C ASN A 173 -16.820 20.651 69.556 1.00 0.00 ATOM 1366 N SER A 174 -17.648 19.670 69.185 1.00 0.00 ATOM 1367 CA SER A 174 -17.200 18.624 68.263 1.00 0.00 ATOM 1368 CB SER A 174 -18.205 17.477 68.096 1.00 0.00 ATOM 1369 OG SER A 174 -19.370 17.838 67.358 1.00 0.00 ATOM 1370 O SER A 174 -15.885 18.802 66.274 1.00 0.00 ATOM 1371 C SER A 174 -16.859 19.231 66.909 1.00 0.00 ATOM 1372 N LEU A 175 -17.638 20.235 66.488 1.00 0.00 ATOM 1373 CA LEU A 175 -17.426 20.893 65.193 1.00 0.00 ATOM 1374 CB LEU A 175 -18.662 21.734 64.783 1.00 0.00 ATOM 1375 CG LEU A 175 -19.786 21.036 64.023 1.00 0.00 ATOM 1376 CD1 LEU A 175 -19.224 20.472 62.680 1.00 0.00 ATOM 1377 CD2 LEU A 175 -20.917 22.020 63.752 1.00 0.00 ATOM 1378 O LEU A 175 -15.393 21.757 64.261 1.00 0.00 ATOM 1379 C LEU A 175 -16.180 21.763 65.217 1.00 0.00 ATOM 1380 N HIS A 176 -16.019 22.529 66.297 1.00 0.00 ATOM 1381 CA HIS A 176 -14.855 23.395 66.477 1.00 0.00 ATOM 1382 CB HIS A 176 -14.983 24.217 67.769 1.00 0.00 ATOM 1383 CG HIS A 176 -15.814 25.452 67.635 1.00 0.00 ATOM 1384 CD2 HIS A 176 -17.100 25.626 67.257 1.00 0.00 ATOM 1385 ND1 HIS A 176 -15.326 26.713 67.933 1.00 0.00 ATOM 1386 CE1 HIS A 176 -16.285 27.603 67.748 1.00 0.00 ATOM 1387 NE2 HIS A 176 -17.371 26.969 67.343 1.00 0.00 ATOM 1388 O HIS A 176 -12.507 23.105 66.029 1.00 0.00 ATOM 1389 C HIS A 176 -13.529 22.655 66.580 1.00 0.00 ATOM 1390 N LEU A 177 -13.544 21.552 67.319 1.00 0.00 ATOM 1391 CA LEU A 177 -12.312 20.961 67.841 1.00 0.00 ATOM 1392 CB LEU A 177 -12.431 20.827 69.359 1.00 0.00 ATOM 1393 CG LEU A 177 -12.675 22.148 70.090 1.00 0.00 ATOM 1394 CD1 LEU A 177 -12.711 21.880 71.593 1.00 0.00 ATOM 1395 CD2 LEU A 177 -11.637 23.222 69.719 1.00 0.00 ATOM 1396 O LEU A 177 -10.769 19.159 67.478 1.00 0.00 ATOM 1397 C LEU A 177 -11.905 19.610 67.250 1.00 0.00 ATOM 1398 N THR A 178 -12.816 18.953 66.527 1.00 0.00 ATOM 1399 CA THR A 178 -12.520 17.659 65.916 1.00 0.00 ATOM 1400 CB THR A 178 -13.335 16.490 66.526 1.00 0.00 ATOM 1401 CG2 THR A 178 -13.370 16.553 68.095 1.00 0.00 ATOM 1402 OG1 THR A 178 -14.674 16.478 65.972 1.00 0.00 ATOM 1403 O THR A 178 -13.441 18.638 63.950 1.00 0.00 ATOM 1404 C THR A 178 -12.850 17.684 64.434 1.00 0.00 ATOM 1405 N THR A 179 -12.448 16.622 63.733 1.00 0.00 ATOM 1406 CA THR A 179 -12.901 16.404 62.345 1.00 0.00 ATOM 1407 CB THR A 179 -11.726 16.025 61.413 1.00 0.00 ATOM 1408 CG2 THR A 179 -10.733 17.181 61.319 1.00 0.00 ATOM 1409 OG1 THR A 179 -11.064 14.844 61.897 1.00 0.00 ATOM 1410 O THR A 179 -14.148 14.641 61.249 1.00 0.00 ATOM 1411 C THR A 179 -13.992 15.312 62.278 1.00 0.00 ATOM 1412 N PHE A 180 -14.740 15.118 63.361 1.00 0.00 ATOM 1413 CA PHE A 180 -15.825 14.129 63.345 1.00 0.00 ATOM 1414 CB PHE A 180 -16.595 14.069 64.688 1.00 0.00 ATOM 1415 CG PHE A 180 -15.843 13.443 65.840 1.00 0.00 ATOM 1416 CD1 PHE A 180 -14.717 12.653 65.664 1.00 0.00 ATOM 1417 CD2 PHE A 180 -16.322 13.627 67.140 1.00 0.00 ATOM 1418 CE1 PHE A 180 -14.068 12.074 66.762 1.00 0.00 ATOM 1419 CE2 PHE A 180 -15.677 13.057 68.236 1.00 0.00 ATOM 1420 CZ PHE A 180 -14.552 12.285 68.047 1.00 0.00 ATOM 1421 O PHE A 180 -17.385 13.359 61.697 1.00 0.00 ATOM 1422 C PHE A 180 -16.835 14.340 62.202 1.00 0.00 ATOM 1423 N CYS A 181 -17.076 15.595 61.795 1.00 0.00 ATOM 1424 CA CYS A 181 -18.048 15.907 60.739 1.00 0.00 ATOM 1425 CB CYS A 181 -18.293 17.420 60.650 1.00 0.00 ATOM 1426 SG CYS A 181 -16.956 18.379 59.988 1.00 0.00 ATOM 1427 O CYS A 181 -18.506 15.242 58.481 1.00 0.00 ATOM 1428 C CYS A 181 -17.649 15.351 59.368 1.00 0.00 ATOM 1429 N LEU A 182 -16.355 15.013 59.212 1.00 0.00 ATOM 1430 CA LEU A 182 -15.771 14.391 58.015 1.00 0.00 ATOM 1431 CB LEU A 182 -14.360 14.958 57.780 1.00 0.00 ATOM 1432 CG LEU A 182 -14.183 16.473 57.644 1.00 0.00 ATOM 1433 CD1 LEU A 182 -12.704 16.851 57.588 1.00 0.00 ATOM 1434 CD2 LEU A 182 -14.935 17.003 56.398 1.00 0.00 ATOM 1435 O LEU A 182 -15.219 12.218 57.156 1.00 0.00 ATOM 1436 C LEU A 182 -15.664 12.848 58.094 1.00 0.00 ATOM 1437 N GLN A 183 -16.056 12.266 59.225 1.00 0.00 ATOM 1438 CA GLN A 183 -15.820 10.865 59.515 1.00 0.00 ATOM 1439 CB GLN A 183 -14.895 10.732 60.722 1.00 0.00 ATOM 1440 CG GLN A 183 -13.574 11.417 60.647 1.00 0.00 ATOM 1441 CD GLN A 183 -12.824 11.331 61.982 1.00 0.00 ATOM 1442 OE1 GLN A 183 -12.544 10.220 62.471 1.00 0.00 ATOM 1443 NE2 GLN A 183 -12.492 12.500 62.576 1.00 0.00 ATOM 1444 O GLN A 183 -17.247 8.947 59.492 1.00 0.00 ATOM 1445 C GLN A 183 -17.106 10.106 59.860 1.00 0.00 ATOM 1446 N TYR A 184 -18.012 10.750 60.597 1.00 0.00 ATOM 1447 CA TYR A 184 -19.231 10.098 61.081 1.00 0.00 ATOM 1448 CB TYR A 184 -19.144 9.899 62.601 1.00 0.00 ATOM 1449 CG TYR A 184 -17.874 9.167 63.034 1.00 0.00 ATOM 1450 CD1 TYR A 184 -17.768 7.793 62.906 1.00 0.00 ATOM 1451 CD2 TYR A 184 -16.791 9.861 63.582 1.00 0.00 ATOM 1452 CE1 TYR A 184 -16.608 7.116 63.300 1.00 0.00 ATOM 1453 CE2 TYR A 184 -15.623 9.194 63.970 1.00 0.00 ATOM 1454 CZ TYR A 184 -15.540 7.822 63.815 1.00 0.00 ATOM 1455 OH TYR A 184 -14.390 7.152 64.210 1.00 0.00 ATOM 1456 O TYR A 184 -20.495 12.076 60.578 1.00 0.00 ATOM 1457 C TYR A 184 -20.506 10.861 60.720 1.00 0.00 ATOM 1458 N LYS A 185 -21.615 10.134 60.604 1.00 0.00 ATOM 1459 CA LYS A 185 -22.918 10.750 60.354 1.00 0.00 ATOM 1460 CB LYS A 185 -23.983 9.683 60.047 1.00 0.00 ATOM 1461 CG LYS A 185 -23.861 9.020 58.672 1.00 0.00 ATOM 1462 CD LYS A 185 -24.468 9.873 57.541 1.00 0.00 ATOM 1463 CE LYS A 185 -24.554 9.112 56.215 1.00 0.00 ATOM 1464 NZ LYS A 185 -25.556 7.999 56.229 1.00 0.00 ATOM 1465 O LYS A 185 -22.936 11.257 62.694 1.00 0.00 ATOM 1466 C LYS A 185 -23.324 11.577 61.574 1.00 0.00 ATOM 1467 N PRO A 186 -24.092 12.652 61.354 1.00 0.00 ATOM 1468 CA PRO A 186 -24.526 13.563 62.415 1.00 0.00 ATOM 1469 CB PRO A 186 -25.474 14.521 61.693 1.00 0.00 ATOM 1470 CG PRO A 186 -25.303 14.315 60.321 1.00 0.00 ATOM 1471 CD PRO A 186 -24.538 13.109 60.035 1.00 0.00 ATOM 1472 O PRO A 186 -25.130 13.208 64.698 1.00 0.00 ATOM 1473 C PRO A 186 -25.256 12.838 63.529 1.00 0.00 ATOM 1474 N THR A 187 -25.999 11.790 63.177 1.00 0.00 ATOM 1475 CA THR A 187 -26.695 11.000 64.205 1.00 0.00 ATOM 1476 CB THR A 187 -27.707 10.007 63.597 1.00 0.00 ATOM 1477 CG2 THR A 187 -28.930 10.758 63.073 1.00 0.00 ATOM 1478 OG1 THR A 187 -27.103 9.270 62.520 1.00 0.00 ATOM 1479 O THR A 187 -26.011 10.160 66.360 1.00 0.00 ATOM 1480 C THR A 187 -25.731 10.277 65.155 1.00 0.00 ATOM 1481 N VAL A 188 -24.599 9.800 64.635 1.00 0.00 ATOM 1482 CA VAL A 188 -23.580 9.169 65.475 1.00 0.00 ATOM 1483 CB VAL A 188 -22.437 8.549 64.641 1.00 0.00 ATOM 1484 CG1 VAL A 188 -21.317 8.001 65.564 1.00 0.00 ATOM 1485 CG2 VAL A 188 -22.962 7.470 63.720 1.00 0.00 ATOM 1486 O VAL A 188 -22.879 9.950 67.616 1.00 0.00 ATOM 1487 C VAL A 188 -22.988 10.189 66.428 1.00 0.00 ATOM 1488 N ILE A 189 -22.592 11.334 65.889 1.00 0.00 ATOM 1489 CA ILE A 189 -21.993 12.370 66.704 1.00 0.00 ATOM 1490 CB ILE A 189 -21.417 13.506 65.827 1.00 0.00 ATOM 1491 CG1 ILE A 189 -20.381 12.938 64.846 1.00 0.00 ATOM 1492 CG2 ILE A 189 -20.892 14.678 66.725 1.00 0.00 ATOM 1493 CD1 ILE A 189 -19.284 12.027 65.461 1.00 0.00 ATOM 1494 O ILE A 189 -22.604 13.160 68.876 1.00 0.00 ATOM 1495 C ILE A 189 -22.978 12.893 67.745 1.00 0.00 ATOM 1496 N ALA A 190 -24.245 13.018 67.376 1.00 0.00 ATOM 1497 CA ALA A 190 -25.274 13.365 68.367 1.00 0.00 ATOM 1498 CB ALA A 190 -26.644 13.388 67.720 1.00 0.00 ATOM 1499 O ALA A 190 -25.257 12.849 70.727 1.00 0.00 ATOM 1500 C ALA A 190 -25.230 12.412 69.573 1.00 0.00 ATOM 1501 N CYS A 191 -25.145 11.112 69.311 1.00 0.00 ATOM 1502 CA CYS A 191 -25.095 10.129 70.393 1.00 0.00 ATOM 1503 CB CYS A 191 -25.218 8.692 69.830 1.00 0.00 ATOM 1504 SG CYS A 191 -26.865 8.345 69.140 1.00 0.00 ATOM 1505 O CYS A 191 -23.886 10.217 72.451 1.00 0.00 ATOM 1506 C CYS A 191 -23.827 10.276 71.231 1.00 0.00 ATOM 1507 N VAL A 192 -22.683 10.497 70.576 1.00 0.00 ATOM 1508 CA VAL A 192 -21.415 10.710 71.288 1.00 0.00 ATOM 1509 CB VAL A 192 -20.223 10.981 70.312 1.00 0.00 ATOM 1510 CG1 VAL A 192 -18.961 11.347 71.102 1.00 0.00 ATOM 1511 CG2 VAL A 192 -19.937 9.728 69.437 1.00 0.00 ATOM 1512 O VAL A 192 -21.140 11.794 73.420 1.00 0.00 ATOM 1513 C VAL A 192 -21.548 11.879 72.268 1.00 0.00 ATOM 1514 N CYS A 193 -22.180 12.955 71.812 1.00 0.00 ATOM 1515 CA CYS A 193 -22.303 14.159 72.623 1.00 0.00 ATOM 1516 CB CYS A 193 -22.817 15.265 71.718 1.00 0.00 ATOM 1517 SG CYS A 193 -21.501 15.848 70.600 1.00 0.00 ATOM 1518 O CYS A 193 -22.890 14.405 74.962 1.00 0.00 ATOM 1519 C CYS A 193 -23.207 13.972 73.843 1.00 0.00 ATOM 1520 N ILE A 194 -24.338 13.326 73.612 1.00 0.00 ATOM 1521 CA ILE A 194 -25.272 12.991 74.681 1.00 0.00 ATOM 1522 CB ILE A 194 -26.604 12.486 74.104 1.00 0.00 ATOM 1523 CG1 ILE A 194 -27.291 13.631 73.346 1.00 0.00 ATOM 1524 CG2 ILE A 194 -27.512 11.935 75.222 1.00 0.00 ATOM 1525 CD1 ILE A 194 -28.570 13.205 72.624 1.00 0.00 ATOM 1526 O ILE A 194 -24.793 12.182 76.896 1.00 0.00 ATOM 1527 C ILE A 194 -24.649 12.005 75.679 1.00 0.00 ATOM 1528 N HIS A 195 -23.962 10.980 75.168 1.00 0.00 ATOM 1529 CA HIS A 195 -23.252 9.991 76.012 1.00 0.00 ATOM 1530 CB HIS A 195 -22.592 8.938 75.116 1.00 0.00 ATOM 1531 CG HIS A 195 -22.035 7.752 75.847 1.00 0.00 ATOM 1532 CD2 HIS A 195 -20.763 7.308 75.988 1.00 0.00 ATOM 1533 ND1 HIS A 195 -22.833 6.832 76.494 1.00 0.00 ATOM 1534 CE1 HIS A 195 -22.074 5.888 77.022 1.00 0.00 ATOM 1535 NE2 HIS A 195 -20.813 6.155 76.733 1.00 0.00 ATOM 1536 O HIS A 195 -22.254 10.441 78.160 1.00 0.00 ATOM 1537 C HIS A 195 -22.237 10.662 76.952 1.00 0.00 ATOM 1538 N LEU A 196 -21.388 11.521 76.387 1.00 0.00 ATOM 1539 CA LEU A 196 -20.413 12.283 77.148 1.00 0.00 ATOM 1540 CB LEU A 196 -19.602 13.179 76.185 1.00 0.00 ATOM 1541 CG LEU A 196 -18.328 13.798 76.724 1.00 0.00 ATOM 1542 CD1 LEU A 196 -17.463 14.259 75.559 1.00 0.00 ATOM 1543 CD2 LEU A 196 -18.627 14.938 77.674 1.00 0.00 ATOM 1544 O LEU A 196 -20.663 13.126 79.374 1.00 0.00 ATOM 1545 C LEU A 196 -21.085 13.126 78.233 1.00 0.00 ATOM 1546 N ALA A 197 -22.153 13.817 77.862 1.00 0.00 ATOM 1547 CA ALA A 197 -22.900 14.669 78.767 1.00 0.00 ATOM 1548 CB ALA A 197 -23.960 15.419 77.969 1.00 0.00 ATOM 1549 O ALA A 197 -23.491 14.311 81.081 1.00 0.00 ATOM 1550 C ALA A 197 -23.531 13.881 79.934 1.00 0.00 ATOM 1551 N CYS A 198 -24.105 12.723 79.611 1.00 0.00 ATOM 1552 CA CYS A 198 -24.645 11.811 80.607 1.00 0.00 ATOM 1553 CB CYS A 198 -25.317 10.618 79.933 1.00 0.00 ATOM 1554 SG CYS A 198 -26.941 11.027 79.224 1.00 0.00 ATOM 1555 O CYS A 198 -23.780 11.307 82.794 1.00 0.00 ATOM 1556 C CYS A 198 -23.570 11.320 81.576 1.00 0.00 ATOM 1557 N LYS A 199 -22.422 10.924 81.038 1.00 0.00 ATOM 1558 CA LYS A 199 -21.316 10.462 81.886 1.00 0.00 ATOM 1559 CB LYS A 199 -20.157 9.932 81.043 1.00 0.00 ATOM 1560 CG LYS A 199 -20.474 8.644 80.280 1.00 0.00 ATOM 1561 CD LYS A 199 -19.258 7.723 80.180 1.00 0.00 ATOM 1562 O LYS A 199 -20.634 11.339 84.018 1.00 0.00 ATOM 1563 C LYS A 199 -20.858 11.572 82.831 1.00 0.00 ATOM 1564 N TRP A 200 -20.755 12.786 82.295 1.00 0.00 ATOM 1565 CA TRP A 200 -20.325 13.945 83.070 1.00 0.00 ATOM 1566 CB TRP A 200 -20.237 15.141 82.130 1.00 0.00 ATOM 1567 CG TRP A 200 -19.381 16.262 82.581 1.00 0.00 ATOM 1568 CD1 TRP A 200 -18.715 16.409 83.767 1.00 0.00 ATOM 1569 CD2 TRP A 200 -19.126 17.432 81.820 1.00 0.00 ATOM 1570 CE2 TRP A 200 -18.283 18.260 82.587 1.00 0.00 ATOM 1571 CE3 TRP A 200 -19.531 17.860 80.552 1.00 0.00 ATOM 1572 NE1 TRP A 200 -18.052 17.621 83.779 1.00 0.00 ATOM 1573 CZ2 TRP A 200 -17.837 19.507 82.124 1.00 0.00 ATOM 1574 CZ3 TRP A 200 -19.075 19.102 80.086 1.00 0.00 ATOM 1575 CH2 TRP A 200 -18.242 19.897 80.869 1.00 0.00 ATOM 1576 O TRP A 200 -20.849 14.644 85.318 1.00 0.00 ATOM 1577 C TRP A 200 -21.282 14.269 84.224 1.00 0.00 ATOM 1578 N SER A 201 -22.584 14.127 83.979 1.00 0.00 ATOM 1579 CA SER A 201 -23.587 14.418 84.996 1.00 0.00 ATOM 1580 CB SER A 201 -24.820 15.052 84.353 1.00 0.00 ATOM 1581 OG SER A 201 -24.465 15.906 83.277 1.00 0.00 ATOM 1582 O SER A 201 -24.874 13.301 86.679 1.00 0.00 ATOM 1583 C SER A 201 -24.005 13.187 85.817 1.00 0.00 ATOM 1584 N ASN A 202 -23.382 12.028 85.573 1.00 0.00 ATOM 1585 CA ASN A 202 -23.824 10.760 86.198 1.00 0.00 ATOM 1586 CB ASN A 202 -23.418 10.686 87.682 1.00 0.00 ATOM 1587 CG ASN A 202 -21.905 10.677 87.873 1.00 0.00 ATOM 1588 O ASN A 202 -26.054 10.196 86.969 1.00 0.00 ATOM 1589 C ASN A 202 -25.335 10.555 86.021 1.00 0.00 ATOM 1590 N TRP A 203 -25.798 10.805 84.797 1.00 0.00 ATOM 1591 CA TRP A 203 -27.208 10.708 84.409 1.00 0.00 ATOM 1592 CB TRP A 203 -27.623 11.942 83.589 1.00 0.00 ATOM 1593 CG TRP A 203 -29.066 11.936 83.096 1.00 0.00 ATOM 1594 CD1 TRP A 203 -29.615 11.067 82.186 1.00 0.00 ATOM 1595 CD2 TRP A 203 -30.125 12.846 83.464 1.00 0.00 ATOM 1596 CE2 TRP A 203 -31.283 12.446 82.752 1.00 0.00 ATOM 1597 CE3 TRP A 203 -30.213 13.946 84.334 1.00 0.00 ATOM 1598 NE1 TRP A 203 -30.939 11.361 81.988 1.00 0.00 ATOM 1599 CZ2 TRP A 203 -32.516 13.112 82.875 1.00 0.00 ATOM 1600 CZ3 TRP A 203 -31.439 14.607 84.454 1.00 0.00 ATOM 1601 CH2 TRP A 203 -32.578 14.176 83.736 1.00 0.00 ATOM 1602 O TRP A 203 -26.541 9.118 82.739 1.00 0.00 ATOM 1603 C TRP A 203 -27.363 9.416 83.604 1.00 0.00 ATOM 1604 N GLU A 204 -28.392 8.625 83.922 1.00 0.00 ATOM 1605 CA GLU A 204 -28.642 7.374 83.217 1.00 0.00 ATOM 1606 CB GLU A 204 -28.633 6.204 84.214 1.00 0.00 ATOM 1607 CG GLU A 204 -27.954 4.967 83.667 1.00 0.00 ATOM 1608 O GLU A 204 -31.011 7.786 83.135 1.00 0.00 ATOM 1609 C GLU A 204 -29.997 7.470 82.502 1.00 0.00 ATOM 1610 N ILE A 205 -30.011 7.231 81.189 1.00 0.00 ATOM 1611 CA ILE A 205 -31.264 7.243 80.433 1.00 0.00 ATOM 1612 CB ILE A 205 -31.085 7.738 78.994 1.00 0.00 ATOM 1613 CG1 ILE A 205 -30.479 9.147 78.994 1.00 0.00 ATOM 1614 CG2 ILE A 205 -32.410 7.715 78.262 1.00 0.00 ATOM 1615 CD1 ILE A 205 -30.056 9.625 77.633 1.00 0.00 ATOM 1616 O ILE A 205 -31.034 4.930 79.923 1.00 0.00 ATOM 1617 C ILE A 205 -31.758 5.807 80.402 1.00 0.00 ATOM 1618 N PRO A 206 -32.957 5.553 80.948 1.00 0.00 ATOM 1619 CA PRO A 206 -33.498 4.187 80.986 1.00 0.00 ATOM 1620 CB PRO A 206 -34.912 4.375 81.567 1.00 0.00 ATOM 1621 CG PRO A 206 -34.830 5.639 82.353 1.00 0.00 ATOM 1622 CD PRO A 206 -33.866 6.521 81.596 1.00 0.00 ATOM 1623 O PRO A 206 -33.791 4.159 78.598 1.00 0.00 ATOM 1624 C PRO A 206 -33.608 3.507 79.622 1.00 0.00 ATOM 1625 N VAL A 207 -33.518 2.186 79.636 1.00 0.00 ATOM 1626 CA VAL A 207 -33.867 1.394 78.453 1.00 0.00 ATOM 1627 CB VAL A 207 -33.289 -0.050 78.538 1.00 0.00 ATOM 1628 CG1 VAL A 207 -31.796 0.015 78.739 1.00 0.00 ATOM 1629 CG2 VAL A 207 -33.946 -0.846 79.649 1.00 0.00 ATOM 1630 O VAL A 207 -36.123 1.648 79.272 1.00 0.00 ATOM 1631 C VAL A 207 -35.389 1.370 78.322 1.00 0.00 ATOM 1632 N SER A 208 -35.858 1.057 77.128 1.00 0.00 ATOM 1633 CA SER A 208 -37.280 1.020 76.836 1.00 0.00 ATOM 1634 CB SER A 208 -37.463 1.267 75.341 1.00 0.00 ATOM 1635 OG SER A 208 -36.895 0.181 74.622 1.00 0.00 ATOM 1636 O SER A 208 -37.193 -1.218 77.738 1.00 0.00 ATOM 1637 C SER A 208 -37.895 -0.330 77.252 1.00 0.00 ATOM 1638 N THR A 209 -39.199 -0.481 77.048 1.00 0.00 ATOM 1639 CA THR A 209 -39.902 -1.716 77.388 1.00 0.00 ATOM 1640 CB THR A 209 -41.413 -1.569 77.226 1.00 0.00 ATOM 1641 CG2 THR A 209 -41.937 -0.609 78.303 1.00 0.00 ATOM 1642 OG1 THR A 209 -41.704 -1.067 75.917 1.00 0.00 ATOM 1643 O THR A 209 -39.659 -4.055 77.007 1.00 0.00 ATOM 1644 C THR A 209 -39.438 -2.936 76.576 1.00 0.00 ATOM 1645 N ASP A 210 -38.816 -2.689 75.421 1.00 0.00 ATOM 1646 CA ASP A 210 -38.221 -3.749 74.577 1.00 0.00 ATOM 1647 CB ASP A 210 -38.598 -3.580 73.079 1.00 0.00 ATOM 1648 CG ASP A 210 -38.121 -2.275 72.466 1.00 0.00 ATOM 1649 OD1 ASP A 210 -37.375 -1.523 73.122 1.00 0.00 ATOM 1650 OD2 ASP A 210 -38.475 -2.009 71.289 1.00 0.00 ATOM 1651 O ASP A 210 -36.007 -4.489 73.965 1.00 0.00 ATOM 1652 C ASP A 210 -36.694 -3.827 74.744 1.00 0.00 ATOM 1653 N GLY A 211 -36.174 -3.131 75.755 1.00 0.00 ATOM 1654 CA GLY A 211 -34.754 -3.195 76.098 1.00 0.00 ATOM 1655 O GLY A 211 -32.609 -2.298 75.591 1.00 0.00 ATOM 1656 C GLY A 211 -33.811 -2.325 75.302 1.00 0.00 ATOM 1657 N LYS A 212 -34.327 -1.603 74.303 1.00 0.00 ATOM 1658 CA LYS A 212 -33.502 -0.732 73.486 1.00 0.00 ATOM 1659 CB LYS A 212 -34.319 -0.107 72.356 1.00 0.00 ATOM 1660 CG LYS A 212 -34.664 -1.065 71.235 1.00 0.00 ATOM 1661 CD LYS A 212 -35.484 -0.368 70.133 1.00 0.00 ATOM 1662 CE LYS A 212 -34.816 0.862 69.583 1.00 0.00 ATOM 1663 NZ LYS A 212 -35.417 1.331 68.263 1.00 0.00 ATOM 1664 O LYS A 212 -33.524 1.024 75.128 1.00 0.00 ATOM 1665 C LYS A 212 -32.858 0.381 74.306 1.00 0.00 ATOM 1666 N HIS A 213 -31.558 0.590 74.086 1.00 0.00 ATOM 1667 CA HIS A 213 -30.829 1.708 74.684 1.00 0.00 ATOM 1668 CB HIS A 213 -29.314 1.408 74.748 1.00 0.00 ATOM 1669 CG HIS A 213 -29.002 0.175 75.530 1.00 0.00 ATOM 1670 CD2 HIS A 213 -29.092 -1.134 75.196 1.00 0.00 ATOM 1671 ND1 HIS A 213 -28.629 0.207 76.856 1.00 0.00 ATOM 1672 CE1 HIS A 213 -28.480 -1.028 77.299 1.00 0.00 ATOM 1673 NE2 HIS A 213 -28.761 -1.861 76.313 1.00 0.00 ATOM 1674 O HIS A 213 -31.518 2.950 72.707 1.00 0.00 ATOM 1675 C HIS A 213 -31.159 2.992 73.908 1.00 0.00 ATOM 1676 N TRP A 214 -31.070 4.130 74.594 1.00 0.00 ATOM 1677 CA TRP A 214 -31.565 5.397 74.042 1.00 0.00 ATOM 1678 CB TRP A 214 -31.290 6.573 74.996 1.00 0.00 ATOM 1679 CG TRP A 214 -29.840 6.739 75.306 1.00 0.00 ATOM 1680 CD1 TRP A 214 -29.139 6.137 76.294 1.00 0.00 ATOM 1681 CD2 TRP A 214 -28.899 7.530 74.572 1.00 0.00 ATOM 1682 CE2 TRP A 214 -27.646 7.382 75.203 1.00 0.00 ATOM 1683 CE3 TRP A 214 -28.990 8.341 73.439 1.00 0.00 ATOM 1684 NE1 TRP A 214 -27.818 6.514 76.242 1.00 0.00 ATOM 1685 CZ2 TRP A 214 -26.484 8.019 74.729 1.00 0.00 ATOM 1686 CZ3 TRP A 214 -27.851 8.980 72.990 1.00 0.00 ATOM 1687 CH2 TRP A 214 -26.607 8.793 73.621 1.00 0.00 ATOM 1688 O TRP A 214 -31.634 6.154 71.759 1.00 0.00 ATOM 1689 C TRP A 214 -30.953 5.671 72.659 1.00 0.00 ATOM 1690 N TRP A 215 -29.677 5.329 72.484 1.00 0.00 ATOM 1691 CA TRP A 215 -28.970 5.672 71.223 1.00 0.00 ATOM 1692 CB TRP A 215 -27.472 5.400 71.329 1.00 0.00 ATOM 1693 CG TRP A 215 -27.103 4.004 71.675 1.00 0.00 ATOM 1694 CD1 TRP A 215 -27.064 2.933 70.832 1.00 0.00 ATOM 1695 CD2 TRP A 215 -26.694 3.526 72.951 1.00 0.00 ATOM 1696 CE2 TRP A 215 -26.434 2.149 72.813 1.00 0.00 ATOM 1697 CE3 TRP A 215 -26.549 4.120 74.210 1.00 0.00 ATOM 1698 NE1 TRP A 215 -26.654 1.827 71.503 1.00 0.00 ATOM 1699 CZ2 TRP A 215 -26.026 1.356 73.880 1.00 0.00 ATOM 1700 CZ3 TRP A 215 -26.139 3.338 75.278 1.00 0.00 ATOM 1701 CH2 TRP A 215 -25.883 1.962 75.108 1.00 0.00 ATOM 1702 O TRP A 215 -29.442 5.452 68.877 1.00 0.00 ATOM 1703 C TRP A 215 -29.543 4.958 70.003 1.00 0.00 ATOM 1704 N GLU A 216 -30.185 3.821 70.244 1.00 0.00 ATOM 1705 CA GLU A 216 -30.791 3.011 69.181 1.00 0.00 ATOM 1706 CB GLU A 216 -31.186 1.639 69.710 1.00 0.00 ATOM 1707 CG GLU A 216 -30.041 0.862 70.380 1.00 0.00 ATOM 1708 CD GLU A 216 -30.397 -0.598 70.633 1.00 0.00 ATOM 1709 OE1 GLU A 216 -30.490 -1.366 69.653 1.00 0.00 ATOM 1710 OE2 GLU A 216 -30.587 -0.973 71.814 1.00 0.00 ATOM 1711 O GLU A 216 -32.400 3.367 67.428 1.00 0.00 ATOM 1712 C GLU A 216 -31.994 3.707 68.538 1.00 0.00 ATOM 1713 N TYR A 217 -32.548 4.704 69.218 1.00 0.00 ATOM 1714 CA TYR A 217 -33.614 5.508 68.637 1.00 0.00 ATOM 1715 CB TYR A 217 -34.535 6.035 69.746 1.00 0.00 ATOM 1716 CG TYR A 217 -35.318 4.964 70.449 1.00 0.00 ATOM 1717 CD1 TYR A 217 -34.871 4.401 71.642 1.00 0.00 ATOM 1718 CD2 TYR A 217 -36.504 4.485 69.908 1.00 0.00 ATOM 1719 CE1 TYR A 217 -35.611 3.402 72.292 1.00 0.00 ATOM 1720 CE2 TYR A 217 -37.244 3.498 70.534 1.00 0.00 ATOM 1721 CZ TYR A 217 -36.808 2.958 71.728 1.00 0.00 ATOM 1722 OH TYR A 217 -37.560 1.975 72.318 1.00 0.00 ATOM 1723 O TYR A 217 -33.811 7.208 66.939 1.00 0.00 ATOM 1724 C TYR A 217 -33.074 6.654 67.758 1.00 0.00 ATOM 1725 N VAL A 218 -31.787 6.955 67.888 1.00 0.00 ATOM 1726 CA VAL A 218 -31.155 8.082 67.192 1.00 0.00 ATOM 1727 CB VAL A 218 -30.239 8.831 68.158 1.00 0.00 ATOM 1728 CG1 VAL A 218 -29.635 10.102 67.486 1.00 0.00 ATOM 1729 CG2 VAL A 218 -31.014 9.151 69.460 1.00 0.00 ATOM 1730 O VAL A 218 -30.405 8.282 64.916 1.00 0.00 ATOM 1731 C VAL A 218 -30.356 7.633 65.970 1.00 0.00 ATOM 1732 N ASP A 219 -29.603 6.545 66.124 1.00 0.00 ATOM 1733 CA ASP A 219 -28.829 5.954 65.039 1.00 0.00 ATOM 1734 CB ASP A 219 -27.377 6.430 65.105 1.00 0.00 ATOM 1735 CG ASP A 219 -26.541 5.926 63.934 1.00 0.00 ATOM 1736 OD1 ASP A 219 -26.127 4.756 63.970 1.00 0.00 ATOM 1737 OD2 ASP A 219 -26.288 6.702 62.999 1.00 0.00 ATOM 1738 O ASP A 219 -28.491 3.900 66.201 1.00 0.00 ATOM 1739 C ASP A 219 -28.859 4.426 65.164 1.00 0.00 ATOM 1740 N PRO A 220 -29.234 3.718 64.088 1.00 0.00 ATOM 1741 CA PRO A 220 -29.421 2.262 64.163 1.00 0.00 ATOM 1742 CB PRO A 220 -30.295 1.970 62.940 1.00 0.00 ATOM 1743 CG PRO A 220 -29.895 3.004 61.952 1.00 0.00 ATOM 1744 CD PRO A 220 -29.488 4.233 62.728 1.00 0.00 ATOM 1745 O PRO A 220 -28.191 0.219 64.298 1.00 0.00 ATOM 1746 C PRO A 220 -28.132 1.432 64.109 1.00 0.00 ATOM 1747 N THR A 221 -26.994 2.070 63.857 1.00 0.00 ATOM 1748 CA THR A 221 -25.698 1.388 63.758 1.00 0.00 ATOM 1749 CB THR A 221 -24.874 1.921 62.549 1.00 0.00 ATOM 1750 CG2 THR A 221 -25.729 2.071 61.294 1.00 0.00 ATOM 1751 OG1 THR A 221 -24.308 3.191 62.877 1.00 0.00 ATOM 1752 O THR A 221 -23.962 0.778 65.300 1.00 0.00 ATOM 1753 C THR A 221 -24.849 1.578 65.024 1.00 0.00 ATOM 1754 N VAL A 222 -25.105 2.652 65.772 1.00 0.00 ATOM 1755 CA VAL A 222 -24.322 2.998 66.969 1.00 0.00 ATOM 1756 CB VAL A 222 -24.905 4.269 67.645 1.00 0.00 ATOM 1757 CG1 VAL A 222 -24.360 4.448 69.078 1.00 0.00 ATOM 1758 CG2 VAL A 222 -24.605 5.464 66.800 1.00 0.00 ATOM 1759 O VAL A 222 -25.331 1.236 68.247 1.00 0.00 ATOM 1760 C VAL A 222 -24.301 1.871 67.996 1.00 0.00 ATOM 1761 N THR A 223 -23.111 1.610 68.554 1.00 0.00 ATOM 1762 CA THR A 223 -22.957 0.718 69.705 1.00 0.00 ATOM 1763 CB THR A 223 -22.045 -0.492 69.383 1.00 0.00 ATOM 1764 CG2 THR A 223 -22.584 -1.285 68.180 1.00 0.00 ATOM 1765 OG1 THR A 223 -20.704 -0.046 69.126 1.00 0.00 ATOM 1766 O THR A 223 -21.701 2.497 70.733 1.00 0.00 ATOM 1767 C THR A 223 -22.355 1.458 70.899 1.00 0.00 ATOM 1768 N LEU A 224 -22.534 0.890 72.091 1.00 0.00 ATOM 1769 CA LEU A 224 -21.913 1.447 73.303 1.00 0.00 ATOM 1770 CB LEU A 224 -22.277 0.624 74.545 1.00 0.00 ATOM 1771 CG LEU A 224 -21.538 0.958 75.854 1.00 0.00 ATOM 1772 CD1 LEU A 224 -21.784 2.400 76.295 1.00 0.00 ATOM 1773 CD2 LEU A 224 -21.936 -0.018 76.959 1.00 0.00 ATOM 1774 O LEU A 224 -19.735 2.432 73.576 1.00 0.00 ATOM 1775 C LEU A 224 -20.389 1.494 73.144 1.00 0.00 ATOM 1776 N GLU A 225 -19.837 0.448 72.535 1.00 0.00 ATOM 1777 CA GLU A 225 -18.406 0.348 72.302 1.00 0.00 ATOM 1778 CB GLU A 225 -18.079 -1.008 71.656 1.00 0.00 ATOM 1779 CG GLU A 225 -18.265 -2.227 72.596 1.00 0.00 ATOM 1780 CD GLU A 225 -19.729 -2.541 72.992 1.00 0.00 ATOM 1781 OE1 GLU A 225 -20.658 -2.365 72.165 1.00 0.00 ATOM 1782 OE2 GLU A 225 -19.947 -2.987 74.146 1.00 0.00 ATOM 1783 O GLU A 225 -16.912 2.163 71.731 1.00 0.00 ATOM 1784 C GLU A 225 -17.926 1.531 71.431 1.00 0.00 ATOM 1785 N LEU A 226 -18.677 1.856 70.380 1.00 0.00 ATOM 1786 CA LEU A 226 -18.347 3.013 69.541 1.00 0.00 ATOM 1787 CB LEU A 226 -19.218 3.081 68.282 1.00 0.00 ATOM 1788 CG LEU A 226 -18.738 4.094 67.226 1.00 0.00 ATOM 1789 CD1 LEU A 226 -17.348 3.735 66.695 1.00 0.00 ATOM 1790 CD2 LEU A 226 -19.721 4.205 66.079 1.00 0.00 ATOM 1791 O LEU A 226 -17.586 5.204 70.178 1.00 0.00 ATOM 1792 C LEU A 226 -18.458 4.334 70.316 1.00 0.00 ATOM 1793 N LEU A 227 -19.512 4.472 71.121 1.00 0.00 ATOM 1794 CA LEU A 227 -19.727 5.695 71.935 1.00 0.00 ATOM 1795 CB LEU A 227 -21.072 5.652 72.690 1.00 0.00 ATOM 1796 CG LEU A 227 -22.325 5.664 71.801 1.00 0.00 ATOM 1797 CD1 LEU A 227 -22.311 6.889 70.877 1.00 0.00 ATOM 1798 CD2 LEU A 227 -23.636 5.596 72.614 1.00 0.00 ATOM 1799 O LEU A 227 -18.091 7.023 73.099 1.00 0.00 ATOM 1800 C LEU A 227 -18.581 5.898 72.928 1.00 0.00 ATOM 1801 N ASP A 228 -18.149 4.817 73.570 1.00 0.00 ATOM 1802 CA ASP A 228 -17.033 4.906 74.531 1.00 0.00 ATOM 1803 CB ASP A 228 -16.898 3.609 75.333 1.00 0.00 ATOM 1804 CG ASP A 228 -17.960 3.474 76.427 1.00 0.00 ATOM 1805 OD1 ASP A 228 -18.514 4.506 76.868 1.00 0.00 ATOM 1806 OD2 ASP A 228 -18.243 2.334 76.844 1.00 0.00 ATOM 1807 O ASP A 228 -14.997 6.179 74.254 1.00 0.00 ATOM 1808 C ASP A 228 -15.725 5.277 73.816 1.00 0.00 ATOM 1809 N GLU A 229 -15.447 4.603 72.700 1.00 0.00 ATOM 1810 CA GLU A 229 -14.293 4.917 71.861 1.00 0.00 ATOM 1811 CB GLU A 229 -14.310 4.017 70.621 1.00 0.00 ATOM 1812 CG GLU A 229 -13.019 3.998 69.830 1.00 0.00 ATOM 1813 CD GLU A 229 -13.239 3.610 68.376 1.00 0.00 ATOM 1814 OE1 GLU A 229 -12.769 4.363 67.477 1.00 0.00 ATOM 1815 OE2 GLU A 229 -13.894 2.568 68.141 1.00 0.00 ATOM 1816 O GLU A 229 -13.221 7.070 71.603 1.00 0.00 ATOM 1817 C GLU A 229 -14.245 6.392 71.438 1.00 0.00 ATOM 1818 N LEU A 230 -15.351 6.885 70.879 1.00 0.00 ATOM 1819 CA LEU A 230 -15.390 8.237 70.331 1.00 0.00 ATOM 1820 CB LEU A 230 -16.559 8.386 69.346 1.00 0.00 ATOM 1821 CG LEU A 230 -16.447 7.592 68.035 1.00 0.00 ATOM 1822 CD1 LEU A 230 -17.613 7.962 67.095 1.00 0.00 ATOM 1823 CD2 LEU A 230 -15.100 7.859 67.342 1.00 0.00 ATOM 1824 O LEU A 230 -14.819 10.353 71.297 1.00 0.00 ATOM 1825 C LEU A 230 -15.423 9.304 71.435 1.00 0.00 ATOM 1826 N THR A 231 -16.104 9.012 72.538 1.00 0.00 ATOM 1827 CA THR A 231 -16.052 9.871 73.726 1.00 0.00 ATOM 1828 CB THR A 231 -17.000 9.321 74.851 1.00 0.00 ATOM 1829 CG2 THR A 231 -16.865 10.128 76.141 1.00 0.00 ATOM 1830 OG1 THR A 231 -18.357 9.408 74.398 1.00 0.00 ATOM 1831 O THR A 231 -14.129 11.123 74.495 1.00 0.00 ATOM 1832 C THR A 231 -14.598 10.014 74.233 1.00 0.00 ATOM 1833 N HIS A 232 -13.870 8.901 74.315 1.00 0.00 ATOM 1834 CA HIS A 232 -12.467 8.922 74.778 1.00 0.00 ATOM 1835 CB HIS A 232 -11.920 7.495 74.919 1.00 0.00 ATOM 1836 CG HIS A 232 -10.490 7.424 75.368 1.00 0.00 ATOM 1837 CD2 HIS A 232 -9.356 7.160 74.679 1.00 0.00 ATOM 1838 ND1 HIS A 232 -10.106 7.602 76.681 1.00 0.00 ATOM 1839 CE1 HIS A 232 -8.795 7.464 76.777 1.00 0.00 ATOM 1840 NE2 HIS A 232 -8.315 7.204 75.574 1.00 0.00 ATOM 1841 O HIS A 232 -10.782 10.545 74.256 1.00 0.00 ATOM 1842 C HIS A 232 -11.599 9.741 73.826 1.00 0.00 ATOM 1843 N GLU A 233 -11.788 9.539 72.530 1.00 0.00 ATOM 1844 CA GLU A 233 -11.049 10.289 71.530 1.00 0.00 ATOM 1845 CB GLU A 233 -11.401 9.808 70.124 1.00 0.00 ATOM 1846 CG GLU A 233 -10.641 10.585 69.056 1.00 0.00 ATOM 1847 CD GLU A 233 -10.838 10.054 67.644 1.00 0.00 ATOM 1848 OE1 GLU A 233 -11.662 9.130 67.447 1.00 0.00 ATOM 1849 OE2 GLU A 233 -10.153 10.580 66.734 1.00 0.00 ATOM 1850 O GLU A 233 -10.418 12.608 71.511 1.00 0.00 ATOM 1851 C GLU A 233 -11.330 11.789 71.635 1.00 0.00 ATOM 1852 N PHE A 234 -12.601 12.138 71.824 1.00 0.00 ATOM 1853 CA PHE A 234 -13.035 13.534 71.934 1.00 0.00 ATOM 1854 CB PHE A 234 -14.550 13.560 72.140 1.00 0.00 ATOM 1855 CG PHE A 234 -15.217 14.895 71.939 1.00 0.00 ATOM 1856 CD1 PHE A 234 -16.604 14.950 71.983 1.00 0.00 ATOM 1857 CD2 PHE A 234 -14.519 16.073 71.669 1.00 0.00 ATOM 1858 CE1 PHE A 234 -17.283 16.145 71.804 1.00 0.00 ATOM 1859 CE2 PHE A 234 -15.200 17.276 71.516 1.00 0.00 ATOM 1860 CZ PHE A 234 -16.573 17.312 71.568 1.00 0.00 ATOM 1861 O PHE A 234 -11.720 15.240 73.029 1.00 0.00 ATOM 1862 C PHE A 234 -12.306 14.159 73.127 1.00 0.00 ATOM 1863 N LEU A 235 -12.354 13.469 74.256 1.00 0.00 ATOM 1864 CA LEU A 235 -11.673 13.939 75.474 1.00 0.00 ATOM 1865 CB LEU A 235 -11.984 13.006 76.645 1.00 0.00 ATOM 1866 CG LEU A 235 -13.415 13.031 77.171 1.00 0.00 ATOM 1867 CD1 LEU A 235 -13.614 11.891 78.167 1.00 0.00 ATOM 1868 CD2 LEU A 235 -13.763 14.368 77.810 1.00 0.00 ATOM 1869 O LEU A 235 -9.566 15.087 75.790 1.00 0.00 ATOM 1870 C LEU A 235 -10.157 14.120 75.289 1.00 0.00 ATOM 1871 N GLN A 236 -9.514 13.191 74.586 1.00 0.00 ATOM 1872 CA GLN A 236 -8.097 13.313 74.270 1.00 0.00 ATOM 1873 CB GLN A 236 -7.629 12.093 73.482 1.00 0.00 ATOM 1874 CG GLN A 236 -7.529 10.842 74.296 1.00 0.00 ATOM 1875 CD GLN A 236 -7.014 9.686 73.465 1.00 0.00 ATOM 1876 OE1 GLN A 236 -7.467 9.468 72.331 1.00 0.00 ATOM 1877 NE2 GLN A 236 -6.073 8.943 74.013 1.00 0.00 ATOM 1878 O GLN A 236 -6.820 15.297 73.752 1.00 0.00 ATOM 1879 C GLN A 236 -7.787 14.576 73.462 1.00 0.00 ATOM 1880 N ILE A 237 -8.621 14.829 72.461 1.00 0.00 ATOM 1881 CA ILE A 237 -8.498 16.030 71.627 1.00 0.00 ATOM 1882 CB ILE A 237 -9.505 16.005 70.446 1.00 0.00 ATOM 1883 CG1 ILE A 237 -9.129 14.899 69.451 1.00 0.00 ATOM 1884 CG2 ILE A 237 -9.530 17.361 69.720 1.00 0.00 ATOM 1885 CD1 ILE A 237 -10.286 14.494 68.535 1.00 0.00 ATOM 1886 O ILE A 237 -7.828 18.216 72.365 1.00 0.00 ATOM 1887 C ILE A 237 -8.633 17.299 72.491 1.00 0.00 ATOM 1888 N LEU A 238 -9.605 17.307 73.400 1.00 0.00 ATOM 1889 CA LEU A 238 -9.848 18.435 74.313 1.00 0.00 ATOM 1890 CB LEU A 238 -11.067 18.162 75.200 1.00 0.00 ATOM 1891 CG LEU A 238 -12.439 18.017 74.509 1.00 0.00 ATOM 1892 CD1 LEU A 238 -13.548 17.857 75.534 1.00 0.00 ATOM 1893 CD2 LEU A 238 -12.757 19.168 73.564 1.00 0.00 ATOM 1894 O LEU A 238 -8.249 19.866 75.408 1.00 0.00 ATOM 1895 C LEU A 238 -8.637 18.716 75.201 1.00 0.00 ATOM 1896 N GLU A 239 -8.055 17.647 75.728 1.00 0.00 ATOM 1897 CA GLU A 239 -6.855 17.732 76.566 1.00 0.00 ATOM 1898 CB GLU A 239 -6.442 16.337 77.016 1.00 0.00 ATOM 1899 CG GLU A 239 -7.357 15.701 78.017 1.00 0.00 ATOM 1900 CD GLU A 239 -6.678 14.552 78.764 1.00 0.00 ATOM 1901 OE1 GLU A 239 -5.433 14.536 78.816 1.00 0.00 ATOM 1902 OE2 GLU A 239 -7.387 13.680 79.298 1.00 0.00 ATOM 1903 O GLU A 239 -4.850 19.061 76.457 1.00 0.00 ATOM 1904 C GLU A 239 -5.673 18.360 75.840 1.00 0.00 ATOM 1905 N LYS A 240 -5.556 18.077 74.543 1.00 0.00 ATOM 1906 CA LYS A 240 -4.453 18.604 73.743 1.00 0.00 ATOM 1907 CB LYS A 240 -4.036 17.617 72.639 1.00 0.00 ATOM 1908 CG LYS A 240 -5.047 17.430 71.549 1.00 0.00 ATOM 1909 O LYS A 240 -3.898 20.587 72.498 1.00 0.00 ATOM 1910 C LYS A 240 -4.752 20.000 73.172 1.00 0.00 ATOM 1911 N THR A 241 -5.948 20.527 73.456 1.00 0.00 ATOM 1912 CA THR A 241 -6.309 21.918 73.167 1.00 0.00 ATOM 1913 CB THR A 241 -7.667 22.005 72.419 1.00 0.00 ATOM 1914 CG2 THR A 241 -7.835 23.366 71.753 1.00 0.00 ATOM 1915 OG1 THR A 241 -7.760 20.972 71.431 1.00 0.00 ATOM 1916 O THR A 241 -7.515 23.061 74.889 1.00 0.00 ATOM 1917 C THR A 241 -6.432 22.683 74.498 1.00 0.00 ATOM 1918 N PRO A 242 -5.322 22.895 75.214 1.00 0.00 ATOM 1919 CA PRO A 242 -5.451 23.335 76.621 1.00 0.00 ATOM 1920 CB PRO A 242 -3.994 23.485 77.086 1.00 0.00 ATOM 1921 CG PRO A 242 -3.192 23.600 75.818 1.00 0.00 ATOM 1922 CD PRO A 242 -3.909 22.746 74.823 1.00 0.00 ATOM 1923 O PRO A 242 -6.944 24.614 77.962 1.00 0.00 ATOM 1924 C PRO A 242 -6.260 24.608 76.941 1.00 0.00 ATOM 1925 N ASN A 243 -6.211 25.667 76.131 1.00 0.00 ATOM 1926 CA ASN A 243 -7.023 26.857 76.484 1.00 0.00 ATOM 1927 CB ASN A 243 -6.552 28.150 75.773 1.00 0.00 ATOM 1928 CG ASN A 243 -5.728 29.080 76.693 1.00 0.00 ATOM 1929 ND2 ASN A 243 -5.071 30.078 76.088 1.00 0.00 ATOM 1930 OD1 ASN A 243 -5.692 28.910 77.922 1.00 0.00 ATOM 1931 O ASN A 243 -9.335 26.964 77.146 1.00 0.00 ATOM 1932 C ASN A 243 -8.538 26.596 76.292 1.00 0.00 ATOM 1933 N ARG A 244 -8.928 25.921 75.212 1.00 0.00 ATOM 1934 CA ARG A 244 -10.329 25.490 75.070 1.00 0.00 ATOM 1935 CB ARG A 244 -10.551 24.794 73.728 1.00 0.00 ATOM 1936 CG ARG A 244 -11.984 24.621 73.363 1.00 0.00 ATOM 1937 CD ARG A 244 -12.711 25.937 73.127 1.00 0.00 ATOM 1938 NE ARG A 244 -12.026 26.774 72.149 1.00 0.00 ATOM 1939 O ARG A 244 -11.978 24.605 76.608 1.00 0.00 ATOM 1940 C ARG A 244 -10.804 24.561 76.209 1.00 0.00 ATOM 1941 N LEU A 245 -9.920 23.702 76.705 1.00 0.00 ATOM 1942 CA LEU A 245 -10.235 22.857 77.875 1.00 0.00 ATOM 1943 CB LEU A 245 -9.106 21.865 78.176 1.00 0.00 ATOM 1944 CG LEU A 245 -9.349 20.868 79.340 1.00 0.00 ATOM 1945 CD1 LEU A 245 -10.542 19.929 79.056 1.00 0.00 ATOM 1946 CD2 LEU A 245 -8.101 20.055 79.662 1.00 0.00 ATOM 1947 O LEU A 245 -11.423 23.333 79.906 1.00 0.00 ATOM 1948 C LEU A 245 -10.514 23.663 79.135 1.00 0.00 ATOM 1949 N LYS A 246 -9.705 24.694 79.369 1.00 0.00 ATOM 1950 CA LYS A 246 -9.916 25.599 80.502 1.00 0.00 ATOM 1951 CB LYS A 246 -8.779 26.623 80.578 1.00 0.00 ATOM 1952 CG LYS A 246 -8.845 27.567 81.777 1.00 0.00 ATOM 1953 CD LYS A 246 -7.605 28.449 81.853 1.00 0.00 ATOM 1954 O LYS A 246 -11.939 26.570 81.391 1.00 0.00 ATOM 1955 C LYS A 246 -11.268 26.325 80.386 1.00 0.00 ATOM 1956 N LYS A 247 -11.612 26.691 79.154 1.00 0.00 ATOM 1957 CA LYS A 247 -12.868 27.375 78.836 1.00 0.00 ATOM 1958 CB LYS A 247 -12.890 27.806 77.358 1.00 0.00 ATOM 1959 CG LYS A 247 -11.919 28.963 77.023 1.00 0.00 ATOM 1960 CD LYS A 247 -11.812 29.237 75.504 1.00 0.00 ATOM 1961 CE LYS A 247 -10.526 29.995 75.148 1.00 0.00 ATOM 1962 NZ LYS A 247 -10.119 29.857 73.712 1.00 0.00 ATOM 1963 O LYS A 247 -15.072 26.947 79.723 1.00 0.00 ATOM 1964 C LYS A 247 -14.081 26.489 79.155 1.00 0.00 ATOM 1965 N ILE A 248 -13.978 25.216 78.793 1.00 0.00 ATOM 1966 CA ILE A 248 -15.035 24.239 79.057 1.00 0.00 ATOM 1967 CB ILE A 248 -14.764 22.910 78.297 1.00 0.00 ATOM 1968 CG1 ILE A 248 -15.063 23.095 76.806 1.00 0.00 ATOM 1969 CG2 ILE A 248 -15.583 21.783 78.902 1.00 0.00 ATOM 1970 CD1 ILE A 248 -14.436 22.058 75.887 1.00 0.00 ATOM 1971 O ILE A 248 -16.301 23.937 81.088 1.00 0.00 ATOM 1972 C ILE A 248 -15.189 24.013 80.569 1.00 0.00 ATOM 1973 N ARG A 249 -14.075 23.932 81.290 1.00 0.00 ATOM 1974 CA ARG A 249 -14.161 23.775 82.721 1.00 0.00 ATOM 1975 CB ARG A 249 -12.802 23.355 83.319 1.00 0.00 ATOM 1976 CG ARG A 249 -12.661 21.838 83.221 1.00 0.00 ATOM 1977 CD ARG A 249 -11.334 21.295 82.731 1.00 0.00 ATOM 1978 NE ARG A 249 -10.157 21.913 83.318 1.00 0.00 ATOM 1979 CZ ARG A 249 -8.956 21.335 83.403 1.00 0.00 ATOM 1980 NH1 ARG A 249 -8.748 20.079 83.001 1.00 0.00 ATOM 1981 NH2 ARG A 249 -7.956 22.018 83.924 1.00 0.00 ATOM 1982 O ARG A 249 -15.587 24.853 84.300 1.00 0.00 ATOM 1983 C ARG A 249 -14.767 24.998 83.402 1.00 0.00 ATOM 1984 N ASN A 250 -14.413 26.189 82.921 1.00 0.00 ATOM 1985 CA ASN A 250 -14.970 27.444 83.440 1.00 0.00 ATOM 1986 CB ASN A 250 -14.242 28.641 82.810 1.00 0.00 ATOM 1987 CG ASN A 250 -12.787 28.815 83.325 1.00 0.00 ATOM 1988 ND2 ASN A 250 -12.051 29.733 82.701 1.00 0.00 ATOM 1989 OD1 ASN A 250 -12.344 28.141 84.269 1.00 0.00 ATOM 1990 O ASN A 250 -17.274 27.962 83.961 1.00 0.00 ATOM 1991 C ASN A 250 -16.479 27.509 83.138 1.00 0.00 ATOM 1992 N TRP A 251 -16.854 27.049 81.944 1.00 0.00 ATOM 1993 CA TRP A 251 -18.264 26.964 81.540 1.00 0.00 ATOM 1994 CB TRP A 251 -18.369 26.517 80.068 1.00 0.00 ATOM 1995 CG TRP A 251 -19.773 26.205 79.607 1.00 0.00 ATOM 1996 CD1 TRP A 251 -20.656 27.064 79.024 1.00 0.00 ATOM 1997 CD2 TRP A 251 -20.447 24.950 79.715 1.00 0.00 ATOM 1998 CE2 TRP A 251 -21.735 25.121 79.166 1.00 0.00 ATOM 1999 CE3 TRP A 251 -20.081 23.690 80.203 1.00 0.00 ATOM 2000 NE1 TRP A 251 -21.832 26.419 78.748 1.00 0.00 ATOM 2001 CZ2 TRP A 251 -22.664 24.088 79.115 1.00 0.00 ATOM 2002 CZ3 TRP A 251 -21.011 22.658 80.158 1.00 0.00 ATOM 2003 CH2 TRP A 251 -22.282 22.864 79.611 1.00 0.00 ATOM 2004 O TRP A 251 -20.163 26.449 82.908 1.00 0.00 ATOM 2005 C TRP A 251 -19.089 26.051 82.475 1.00 0.00 ATOM 2006 N ARG A 252 -18.599 24.848 82.790 1.00 0.00 ATOM 2007 CA ARG A 252 -19.358 23.923 83.681 1.00 0.00 ATOM 2008 CB ARG A 252 -18.821 22.481 83.683 1.00 0.00 ATOM 2009 CG ARG A 252 -19.279 21.653 84.941 1.00 0.00 ATOM 2010 CD ARG A 252 -19.834 20.243 84.700 1.00 0.00 ATOM 2011 NE ARG A 252 -20.989 20.234 83.806 1.00 0.00 ATOM 2012 CZ ARG A 252 -21.861 19.231 83.648 1.00 0.00 ATOM 2013 NH1 ARG A 252 -21.786 18.087 84.332 1.00 0.00 ATOM 2014 NH2 ARG A 252 -22.846 19.390 82.784 1.00 0.00 ATOM 2015 O ARG A 252 -20.389 24.326 85.804 1.00 0.00 ATOM 2016 C ARG A 252 -19.379 24.443 85.109 1.00 0.00 ATOM 2017 N ALA A 253 -18.252 24.984 85.551 1.00 0.00 ATOM 2018 CA ALA A 253 -18.170 25.624 86.854 1.00 0.00 ATOM 2019 CB ALA A 253 -16.789 26.239 87.052 1.00 0.00 ATOM 2020 O ALA A 253 -19.961 26.760 88.003 1.00 0.00 ATOM 2021 C ALA A 253 -19.266 26.690 86.983 1.00 0.00 ATOM 2022 N ASN A 254 -19.425 27.492 85.932 1.00 0.00 ATOM 2023 CA ASN A 254 -20.457 28.531 85.875 1.00 0.00 ATOM 2024 CB ASN A 254 -20.217 29.445 84.656 1.00 0.00 ATOM 2025 CG ASN A 254 -21.448 30.262 84.252 1.00 0.00 ATOM 2026 ND2 ASN A 254 -21.302 31.580 84.245 1.00 0.00 ATOM 2027 OD1 ASN A 254 -22.498 29.709 83.904 1.00 0.00 ATOM 2028 O ASN A 254 -22.751 28.398 86.591 1.00 0.00 ATOM 2029 C ASN A 254 -21.863 27.920 85.876 1.00 0.00 ATOM 2030 N GLN A 255 -22.052 26.854 85.100 1.00 0.00 ATOM 2031 CA GLN A 255 -23.328 26.147 85.051 1.00 0.00 ATOM 2032 CB GLN A 255 -23.235 25.016 84.034 1.00 0.00 ATOM 2033 CG GLN A 255 -24.557 24.431 83.627 1.00 0.00 ATOM 2034 CD GLN A 255 -24.372 23.220 82.767 1.00 0.00 ATOM 2035 OE1 GLN A 255 -23.689 22.276 83.158 1.00 0.00 ATOM 2036 NE2 GLN A 255 -24.980 23.229 81.591 1.00 0.00 ATOM 2037 O GLN A 255 -24.794 25.765 86.934 1.00 0.00 ATOM 2038 C GLN A 255 -23.681 25.582 86.432 1.00 0.00 ATOM 2039 N ALA A 256 -22.712 24.897 87.041 1.00 0.00 ATOM 2040 CA ALA A 256 -22.861 24.309 88.373 1.00 0.00 ATOM 2041 CB ALA A 256 -21.586 23.576 88.765 1.00 0.00 ATOM 2042 O ALA A 256 -22.617 26.437 89.474 1.00 0.00 ATOM 2043 C ALA A 256 -23.209 25.356 89.430 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1848052982.pdb -s /var/tmp/to_scwrl_1848052982.seq -o /var/tmp/from_scwrl_1848052982.pdb > /var/tmp/scwrl_1848052982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848052982.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 216 # 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 = -47.363 # GDT_score(maxd=8.000,maxw=2.900)= -47.453 # GDT_score(maxd=8.000,maxw=3.200)= -44.987 # GDT_score(maxd=8.000,maxw=3.500)= -42.733 # GDT_score(maxd=10.000,maxw=3.800)= -46.112 # GDT_score(maxd=10.000,maxw=4.000)= -44.656 # GDT_score(maxd=10.000,maxw=4.200)= -43.256 # GDT_score(maxd=12.000,maxw=4.300)= -46.919 # GDT_score(maxd=12.000,maxw=4.500)= -45.494 # GDT_score(maxd=12.000,maxw=4.700)= -44.125 # GDT_score(maxd=14.000,maxw=5.200)= -44.430 # GDT_score(maxd=14.000,maxw=5.500)= -42.516 # command:# request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1537113632.pdb -s /var/tmp/to_scwrl_1537113632.seq -o /var/tmp/from_scwrl_1537113632.pdb > /var/tmp/scwrl_1537113632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1537113632.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 221 # 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 = -55.566 # GDT_score(maxd=8.000,maxw=2.900)= -57.564 # GDT_score(maxd=8.000,maxw=3.200)= -54.628 # GDT_score(maxd=8.000,maxw=3.500)= -51.886 # GDT_score(maxd=10.000,maxw=3.800)= -54.773 # GDT_score(maxd=10.000,maxw=4.000)= -53.037 # GDT_score(maxd=10.000,maxw=4.200)= -51.380 # GDT_score(maxd=12.000,maxw=4.300)= -54.907 # GDT_score(maxd=12.000,maxw=4.500)= -53.262 # GDT_score(maxd=12.000,maxw=4.700)= -51.700 # GDT_score(maxd=14.000,maxw=5.200)= -51.415 # GDT_score(maxd=14.000,maxw=5.500)= -49.167 # command:# request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2111440731.pdb -s /var/tmp/to_scwrl_2111440731.seq -o /var/tmp/from_scwrl_2111440731.pdb > /var/tmp/scwrl_2111440731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2111440731.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 250 # 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 = -52.246 # GDT_score(maxd=8.000,maxw=2.900)= -53.535 # GDT_score(maxd=8.000,maxw=3.200)= -50.736 # GDT_score(maxd=8.000,maxw=3.500)= -48.078 # GDT_score(maxd=10.000,maxw=3.800)= -51.265 # GDT_score(maxd=10.000,maxw=4.000)= -49.466 # GDT_score(maxd=10.000,maxw=4.200)= -47.726 # GDT_score(maxd=12.000,maxw=4.300)= -51.680 # GDT_score(maxd=12.000,maxw=4.500)= -49.940 # GDT_score(maxd=12.000,maxw=4.700)= -48.282 # GDT_score(maxd=14.000,maxw=5.200)= -48.294 # GDT_score(maxd=14.000,maxw=5.500)= -46.136 # command:# request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1173392901.pdb -s /var/tmp/to_scwrl_1173392901.seq -o /var/tmp/from_scwrl_1173392901.pdb > /var/tmp/scwrl_1173392901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1173392901.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 179 # 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 = -49.219 # GDT_score(maxd=8.000,maxw=2.900)= -50.009 # GDT_score(maxd=8.000,maxw=3.200)= -47.540 # GDT_score(maxd=8.000,maxw=3.500)= -45.308 # GDT_score(maxd=10.000,maxw=3.800)= -47.971 # GDT_score(maxd=10.000,maxw=4.000)= -46.515 # GDT_score(maxd=10.000,maxw=4.200)= -45.089 # GDT_score(maxd=12.000,maxw=4.300)= -48.274 # GDT_score(maxd=12.000,maxw=4.500)= -46.840 # GDT_score(maxd=12.000,maxw=4.700)= -45.390 # GDT_score(maxd=14.000,maxw=5.200)= -45.124 # GDT_score(maxd=14.000,maxw=5.500)= -43.053 # command:# request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_367637280.pdb -s /var/tmp/to_scwrl_367637280.seq -o /var/tmp/from_scwrl_367637280.pdb > /var/tmp/scwrl_367637280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_367637280.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 T0338.try1-opt2.pdb looking for model 1 # Found a chain break before 250 # 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 = -52.148 # GDT_score(maxd=8.000,maxw=2.900)= -53.565 # GDT_score(maxd=8.000,maxw=3.200)= -50.786 # GDT_score(maxd=8.000,maxw=3.500)= -48.121 # GDT_score(maxd=10.000,maxw=3.800)= -51.305 # GDT_score(maxd=10.000,maxw=4.000)= -49.507 # GDT_score(maxd=10.000,maxw=4.200)= -47.764 # GDT_score(maxd=12.000,maxw=4.300)= -51.717 # GDT_score(maxd=12.000,maxw=4.500)= -49.975 # GDT_score(maxd=12.000,maxw=4.700)= -48.314 # GDT_score(maxd=14.000,maxw=5.200)= -48.323 # GDT_score(maxd=14.000,maxw=5.500)= -46.163 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0338.try1-real.pdb for output Error: Couldn't open file T0338.try1-real.pdb for output superimposing iter= 0 total_weight= 3067.000 rmsd (weighted)= 7.308 (unweighted)= 15.176 superimposing iter= 1 total_weight= 6865.016 rmsd (weighted)= 3.461 (unweighted)= 15.230 superimposing iter= 2 total_weight= 4241.387 rmsd (weighted)= 2.294 (unweighted)= 15.313 superimposing iter= 3 total_weight= 2865.936 rmsd (weighted)= 1.897 (unweighted)= 15.366 superimposing iter= 4 total_weight= 2484.812 rmsd (weighted)= 1.693 (unweighted)= 15.402 superimposing iter= 5 total_weight= 2347.421 rmsd (weighted)= 1.559 (unweighted)= 15.426 EXPDTA T0338.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0338.try1-opt2.pdb ATOM 1 N ALA A 1 -37.187 7.116 58.620 1.00 0.00 ATOM 2 CA ALA A 1 -36.834 7.512 57.250 1.00 0.00 ATOM 3 CB ALA A 1 -38.055 8.057 56.524 1.00 0.00 ATOM 4 O ALA A 1 -34.767 8.567 56.550 1.00 0.00 ATOM 5 C ALA A 1 -35.761 8.593 57.293 1.00 0.00 ATOM 6 N SER A 2 -35.964 9.565 58.172 1.00 0.00 ATOM 7 CA SER A 2 -35.044 10.698 58.263 1.00 0.00 ATOM 8 CB SER A 2 -35.596 11.762 59.215 1.00 0.00 ATOM 9 OG SER A 2 -36.781 12.343 58.699 1.00 0.00 ATOM 10 O SER A 2 -32.645 10.700 58.284 1.00 0.00 ATOM 11 C SER A 2 -33.681 10.257 58.783 1.00 0.00 ATOM 12 N SER A 3 -33.698 9.403 59.782 1.00 0.00 ATOM 13 CA SER A 3 -32.449 8.911 60.350 1.00 0.00 ATOM 14 CB SER A 3 -32.729 7.938 61.498 1.00 0.00 ATOM 15 OG SER A 3 -33.312 8.606 62.602 1.00 0.00 ATOM 16 O SER A 3 -30.439 8.329 59.174 1.00 0.00 ATOM 17 C SER A 3 -31.654 8.168 59.280 1.00 0.00 ATOM 18 N ARG A 4 -32.357 7.364 58.489 1.00 0.00 ATOM 19 CA ARG A 4 -31.696 6.612 57.430 1.00 0.00 ATOM 20 CB ARG A 4 -32.697 5.701 56.715 1.00 0.00 ATOM 21 CG ARG A 4 -33.165 4.519 57.549 1.00 0.00 ATOM 22 CD ARG A 4 -34.209 3.701 56.807 1.00 0.00 ATOM 23 NE ARG A 4 -34.692 2.576 57.606 1.00 0.00 ATOM 24 CZ ARG A 4 -35.658 1.747 57.222 1.00 0.00 ATOM 25 NH1 ARG A 4 -36.030 0.752 58.015 1.00 0.00 ATOM 26 NH2 ARG A 4 -36.249 1.916 56.047 1.00 0.00 ATOM 27 O ARG A 4 -29.928 7.396 55.936 1.00 0.00 ATOM 28 C ARG A 4 -31.081 7.566 56.390 1.00 0.00 ATOM 29 N TRP A 5 -31.857 8.579 56.009 1.00 0.00 ATOM 30 CA TRP A 5 -31.428 9.557 55.047 1.00 0.00 ATOM 31 CB TRP A 5 -32.540 10.574 54.783 1.00 0.00 ATOM 32 CG TRP A 5 -33.688 10.017 54.000 1.00 0.00 ATOM 33 CD1 TRP A 5 -33.731 8.819 53.348 1.00 0.00 ATOM 34 CD2 TRP A 5 -34.962 10.637 53.787 1.00 0.00 ATOM 35 CE2 TRP A 5 -35.727 9.755 52.996 1.00 0.00 ATOM 36 CE3 TRP A 5 -35.533 11.849 54.187 1.00 0.00 ATOM 37 NE1 TRP A 5 -34.953 8.652 52.740 1.00 0.00 ATOM 38 CZ2 TRP A 5 -37.030 10.049 52.597 1.00 0.00 ATOM 39 CZ3 TRP A 5 -36.825 12.136 53.789 1.00 0.00 ATOM 40 CH2 TRP A 5 -37.561 11.243 53.003 1.00 0.00 ATOM 41 O TRP A 5 -29.221 10.489 54.799 1.00 0.00 ATOM 42 C TRP A 5 -30.190 10.334 55.530 1.00 0.00 ATOM 43 N PHE A 6 -30.228 10.753 56.778 1.00 0.00 ATOM 44 CA PHE A 6 -29.099 11.465 57.387 1.00 0.00 ATOM 45 CB PHE A 6 -29.439 11.885 58.819 1.00 0.00 ATOM 46 CG PHE A 6 -30.482 12.962 58.904 1.00 0.00 ATOM 47 CD1 PHE A 6 -30.817 13.710 57.788 1.00 0.00 ATOM 48 CD2 PHE A 6 -31.127 13.230 60.098 1.00 0.00 ATOM 49 CE1 PHE A 6 -31.778 14.701 57.864 1.00 0.00 ATOM 50 CE2 PHE A 6 -32.086 14.222 60.176 1.00 0.00 ATOM 51 CZ PHE A 6 -32.412 14.956 59.065 1.00 0.00 ATOM 52 O PHE A 6 -26.703 11.050 57.177 1.00 0.00 ATOM 53 C PHE A 6 -27.833 10.587 57.443 1.00 0.00 ATOM 54 N PHE A 7 -28.029 9.323 57.723 1.00 0.00 ATOM 55 CA PHE A 7 -26.914 8.342 57.697 1.00 0.00 ATOM 56 CB PHE A 7 -27.407 6.957 58.121 1.00 0.00 ATOM 57 CG PHE A 7 -26.337 5.903 58.114 1.00 0.00 ATOM 58 CD1 PHE A 7 -25.428 5.813 59.152 1.00 0.00 ATOM 59 CD2 PHE A 7 -26.241 5.001 57.067 1.00 0.00 ATOM 60 CE1 PHE A 7 -24.444 4.843 59.146 1.00 0.00 ATOM 61 CE2 PHE A 7 -25.256 4.032 57.061 1.00 0.00 ATOM 62 CZ PHE A 7 -24.359 3.950 58.095 1.00 0.00 ATOM 63 O PHE A 7 -25.061 8.311 56.174 1.00 0.00 ATOM 64 C PHE A 7 -26.279 8.322 56.312 1.00 0.00 ATOM 65 N THR A 8 -27.098 8.323 55.266 1.00 0.00 ATOM 66 CA THR A 8 -26.615 8.308 53.894 1.00 0.00 ATOM 67 CB THR A 8 -27.763 8.208 52.871 1.00 0.00 ATOM 68 CG2 THR A 8 -27.217 8.260 51.452 1.00 0.00 ATOM 69 OG1 THR A 8 -28.462 6.971 53.053 1.00 0.00 ATOM 70 O THR A 8 -24.744 9.550 53.050 1.00 0.00 ATOM 71 C THR A 8 -25.856 9.585 53.621 1.00 0.00 ATOM 72 N ARG A 9 -26.449 10.702 54.019 1.00 0.00 ATOM 73 CA ARG A 9 -25.887 12.004 53.649 1.00 0.00 ATOM 74 CB ARG A 9 -26.912 13.107 53.943 1.00 0.00 ATOM 75 CG ARG A 9 -26.539 14.357 53.183 1.00 0.00 ATOM 76 CD ARG A 9 -27.788 15.004 52.544 1.00 0.00 ATOM 77 NE ARG A 9 -27.238 16.111 51.775 1.00 0.00 ATOM 78 CZ ARG A 9 -26.672 16.025 50.581 1.00 0.00 ATOM 79 NH1 ARG A 9 -26.595 14.839 49.972 1.00 0.00 ATOM 80 NH2 ARG A 9 -26.209 17.129 50.053 1.00 0.00 ATOM 81 O ARG A 9 -23.636 12.841 53.729 1.00 0.00 ATOM 82 C ARG A 9 -24.562 12.304 54.339 1.00 0.00 ATOM 83 N GLU A 10 -24.457 12.001 55.678 1.00 0.00 ATOM 84 CA GLU A 10 -23.250 12.304 56.421 1.00 0.00 ATOM 85 CB GLU A 10 -23.492 12.063 57.940 1.00 0.00 ATOM 86 CG GLU A 10 -24.114 10.726 58.287 1.00 0.00 ATOM 87 CD GLU A 10 -24.270 10.539 59.789 1.00 0.00 ATOM 88 OE1 GLU A 10 -24.525 11.541 60.494 1.00 0.00 ATOM 89 OE2 GLU A 10 -24.149 9.389 60.262 1.00 0.00 ATOM 90 O GLU A 10 -20.886 12.114 56.039 1.00 0.00 ATOM 91 C GLU A 10 -21.995 11.597 55.912 1.00 0.00 ATOM 92 N GLN A 11 -22.185 10.399 55.330 1.00 0.00 ATOM 93 CA GLN A 11 -21.069 9.625 54.808 1.00 0.00 ATOM 94 CB GLN A 11 -21.570 8.219 54.466 1.00 0.00 ATOM 95 CG GLN A 11 -20.499 7.186 54.188 1.00 0.00 ATOM 96 CD GLN A 11 -21.103 5.847 53.800 1.00 0.00 ATOM 97 OE1 GLN A 11 -22.056 5.379 54.428 1.00 0.00 ATOM 98 NE2 GLN A 11 -20.554 5.224 52.767 1.00 0.00 ATOM 99 O GLN A 11 -19.270 10.396 53.431 1.00 0.00 ATOM 100 C GLN A 11 -20.479 10.289 53.556 1.00 0.00 ATOM 101 N LEU A 12 -21.668 10.655 52.842 1.00 0.00 ATOM 102 CA LEU A 12 -21.173 11.252 51.612 1.00 0.00 ATOM 103 CB LEU A 12 -22.309 11.422 50.602 1.00 0.00 ATOM 104 CG LEU A 12 -22.905 10.135 50.028 1.00 0.00 ATOM 105 CD1 LEU A 12 -24.118 10.443 49.165 1.00 0.00 ATOM 106 CD2 LEU A 12 -21.882 9.406 49.170 1.00 0.00 ATOM 107 O LEU A 12 -19.643 13.016 51.008 1.00 0.00 ATOM 108 C LEU A 12 -20.529 12.655 51.767 1.00 0.00 ATOM 109 N GLU A 13 -21.013 13.386 52.768 1.00 0.00 ATOM 110 CA GLU A 13 -20.678 14.785 53.037 1.00 0.00 ATOM 111 CB GLU A 13 -21.887 15.523 53.660 1.00 0.00 ATOM 112 CG GLU A 13 -23.181 15.430 52.858 1.00 0.00 ATOM 113 CD GLU A 13 -23.144 16.229 51.568 1.00 0.00 ATOM 114 OE1 GLU A 13 -22.334 15.900 50.673 1.00 0.00 ATOM 115 OE2 GLU A 13 -23.931 17.195 51.452 1.00 0.00 ATOM 116 O GLU A 13 -19.331 15.925 54.726 1.00 0.00 ATOM 117 C GLU A 13 -19.590 14.861 54.138 1.00 0.00 ATOM 118 N ASN A 14 -19.024 13.699 54.469 1.00 0.00 ATOM 119 CA ASN A 14 -17.978 13.600 55.491 1.00 0.00 ATOM 120 CB ASN A 14 -17.809 12.148 55.946 1.00 0.00 ATOM 121 CG ASN A 14 -16.867 12.012 57.125 1.00 0.00 ATOM 122 ND2 ASN A 14 -17.021 10.932 57.883 1.00 0.00 ATOM 123 OD1 ASN A 14 -16.011 12.868 57.349 1.00 0.00 ATOM 124 O ASN A 14 -16.249 13.738 53.786 1.00 0.00 ATOM 125 C ASN A 14 -16.627 14.104 54.910 1.00 0.00 ATOM 126 N THR A 15 -15.878 15.024 55.659 1.00 0.00 ATOM 127 CA THR A 15 -14.526 15.342 55.187 1.00 0.00 ATOM 128 CB THR A 15 -13.968 16.602 55.877 1.00 0.00 ATOM 129 CG2 THR A 15 -14.889 17.790 55.643 1.00 0.00 ATOM 130 OG1 THR A 15 -13.862 16.369 57.287 1.00 0.00 ATOM 131 O THR A 15 -13.906 13.318 56.320 1.00 0.00 ATOM 132 C THR A 15 -13.579 14.188 55.504 1.00 0.00 ATOM 133 N PRO A 16 -12.415 14.164 54.858 1.00 0.00 ATOM 134 CA PRO A 16 -11.433 13.109 55.106 1.00 0.00 ATOM 135 CB PRO A 16 -10.550 12.914 54.196 1.00 0.00 ATOM 136 CG PRO A 16 -10.854 13.707 53.001 1.00 0.00 ATOM 137 CD PRO A 16 -12.352 13.949 53.058 1.00 0.00 ATOM 138 O PRO A 16 -10.382 14.301 56.910 1.00 0.00 ATOM 139 C PRO A 16 -10.895 13.253 56.535 1.00 0.00 ATOM 140 N SER A 17 -10.986 12.189 57.318 1.00 0.00 ATOM 141 CA SER A 17 -10.552 12.234 58.711 1.00 0.00 ATOM 142 CB SER A 17 -10.583 10.835 59.328 1.00 0.00 ATOM 143 OG SER A 17 -11.911 10.353 59.432 1.00 0.00 ATOM 144 O SER A 17 -8.949 13.629 59.819 1.00 0.00 ATOM 145 C SER A 17 -9.137 12.753 58.974 1.00 0.00 ATOM 146 N ARG A 18 -8.153 12.236 58.246 1.00 0.00 ATOM 147 CA ARG A 18 -6.781 12.668 58.447 1.00 0.00 ATOM 148 CB ARG A 18 -5.843 11.462 58.518 1.00 0.00 ATOM 149 CG ARG A 18 -6.086 10.555 59.713 1.00 0.00 ATOM 150 CD ARG A 18 -5.060 9.437 59.776 1.00 0.00 ATOM 151 NE ARG A 18 -5.265 8.570 60.934 1.00 0.00 ATOM 152 CZ ARG A 18 -4.445 7.585 61.283 1.00 0.00 ATOM 153 NH1 ARG A 18 -4.711 6.848 62.354 1.00 0.00 ATOM 154 NH2 ARG A 18 -3.361 7.336 60.563 1.00 0.00 ATOM 155 O ARG A 18 -5.106 13.422 56.917 1.00 0.00 ATOM 156 C ARG A 18 -6.258 13.565 57.342 1.00 0.00 ATOM 157 N ARG A 19 -7.011 14.614 56.786 1.00 0.00 ATOM 158 CA ARG A 19 -6.529 15.577 55.821 1.00 0.00 ATOM 159 CB ARG A 19 -7.665 16.498 55.373 1.00 0.00 ATOM 160 CG ARG A 19 -7.249 17.541 54.346 1.00 0.00 ATOM 161 CD ARG A 19 -6.772 16.887 53.058 1.00 0.00 ATOM 162 NE ARG A 19 -6.386 17.877 52.054 1.00 0.00 ATOM 163 CZ ARG A 19 -5.772 17.582 50.913 1.00 0.00 ATOM 164 NH1 ARG A 19 -5.460 18.547 50.059 1.00 0.00 ATOM 165 NH2 ARG A 19 -5.471 16.322 50.628 1.00 0.00 ATOM 166 O ARG A 19 -4.545 16.903 55.607 1.00 0.00 ATOM 167 C ARG A 19 -5.407 16.484 56.355 1.00 0.00 ATOM 168 N CYS A 20 -5.414 16.773 57.640 1.00 0.00 ATOM 169 CA CYS A 20 -4.530 17.798 58.168 1.00 0.00 ATOM 170 CB CYS A 20 -4.862 18.089 59.633 1.00 0.00 ATOM 171 SG CYS A 20 -4.596 16.694 60.751 1.00 0.00 ATOM 172 O CYS A 20 -2.190 18.203 57.939 1.00 0.00 ATOM 173 C CYS A 20 -3.074 17.370 58.095 1.00 0.00 ATOM 174 N GLY A 21 -2.841 16.068 58.170 1.00 0.00 ATOM 175 CA GLY A 21 -1.484 15.545 58.101 1.00 0.00 ATOM 176 O GLY A 21 0.385 15.954 56.604 1.00 0.00 ATOM 177 C GLY A 21 -0.856 15.863 56.741 1.00 0.00 ATOM 178 N VAL A 22 -1.784 15.976 55.667 1.00 0.00 ATOM 179 CA VAL A 22 -1.342 16.326 54.331 1.00 0.00 ATOM 180 CB VAL A 22 -2.224 15.704 53.233 1.00 0.00 ATOM 181 CG1 VAL A 22 -2.215 14.188 53.337 1.00 0.00 ATOM 182 CG2 VAL A 22 -3.661 16.187 53.369 1.00 0.00 ATOM 183 O VAL A 22 -1.002 18.238 52.927 1.00 0.00 ATOM 184 C VAL A 22 -1.327 17.836 54.045 1.00 0.00 ATOM 185 N GLU A 23 -1.669 18.673 55.018 1.00 0.00 ATOM 186 CA GLU A 23 -1.508 20.111 54.862 1.00 0.00 ATOM 187 CB GLU A 23 -2.494 20.859 55.762 1.00 0.00 ATOM 188 CG GLU A 23 -3.949 20.718 55.342 1.00 0.00 ATOM 189 CD GLU A 23 -4.893 21.487 56.245 1.00 0.00 ATOM 190 OE1 GLU A 23 -4.411 22.130 57.200 1.00 0.00 ATOM 191 OE2 GLU A 23 -6.117 21.443 56.000 1.00 0.00 ATOM 192 O GLU A 23 0.342 20.237 56.371 1.00 0.00 ATOM 193 C GLU A 23 -0.073 20.506 55.248 1.00 0.00 ATOM 194 N ALA A 24 0.668 21.154 54.346 1.00 0.00 ATOM 195 CA ALA A 24 2.073 21.434 54.665 1.00 0.00 ATOM 196 CB ALA A 24 2.822 21.870 53.415 1.00 0.00 ATOM 197 O ALA A 24 3.376 22.549 56.319 1.00 0.00 ATOM 198 C ALA A 24 2.312 22.527 55.689 1.00 0.00 ATOM 199 N ASP A 25 1.357 23.433 55.827 1.00 0.00 ATOM 200 CA ASP A 25 1.550 24.640 56.619 1.00 0.00 ATOM 201 CB ASP A 25 1.389 25.885 55.745 1.00 0.00 ATOM 202 CG ASP A 25 2.382 25.926 54.601 1.00 0.00 ATOM 203 OD1 ASP A 25 3.601 25.927 54.870 1.00 0.00 ATOM 204 OD2 ASP A 25 1.940 25.956 53.433 1.00 0.00 ATOM 205 O ASP A 25 1.000 25.363 58.788 1.00 0.00 ATOM 206 C ASP A 25 0.600 24.820 57.764 1.00 0.00 ATOM 207 N LYS A 26 -0.650 24.387 57.643 1.00 0.00 ATOM 208 CA LYS A 26 -1.593 24.574 58.729 1.00 0.00 ATOM 209 CB LYS A 26 -2.979 24.923 58.182 1.00 0.00 ATOM 210 CG LYS A 26 -3.027 26.227 57.402 1.00 0.00 ATOM 211 CD LYS A 26 -4.439 26.537 56.932 1.00 0.00 ATOM 212 CE LYS A 26 -4.497 27.866 56.198 1.00 0.00 ATOM 213 NZ LYS A 26 -5.884 28.209 55.779 1.00 0.00 ATOM 214 O LYS A 26 -1.323 22.184 59.188 1.00 0.00 ATOM 215 C LYS A 26 -1.732 23.293 59.592 1.00 0.00 ATOM 216 N GLU A 27 -2.267 23.488 60.790 1.00 0.00 ATOM 217 CA GLU A 27 -2.420 22.426 61.758 1.00 0.00 ATOM 218 CB GLU A 27 -1.397 22.578 62.886 1.00 0.00 ATOM 219 CG GLU A 27 0.048 22.447 62.435 1.00 0.00 ATOM 220 CD GLU A 27 1.032 22.581 63.581 1.00 0.00 ATOM 221 OE1 GLU A 27 0.580 22.730 64.737 1.00 0.00 ATOM 222 OE2 GLU A 27 2.253 22.536 63.324 1.00 0.00 ATOM 223 O GLU A 27 -4.517 23.464 62.312 1.00 0.00 ATOM 224 C GLU A 27 -3.798 22.463 62.415 1.00 0.00 ATOM 225 N LEU A 28 -4.018 21.355 63.277 1.00 0.00 ATOM 226 CA LEU A 28 -5.308 21.300 63.953 1.00 0.00 ATOM 227 CB LEU A 28 -5.338 20.004 64.764 1.00 0.00 ATOM 228 CG LEU A 28 -5.556 18.713 63.973 1.00 0.00 ATOM 229 CD1 LEU A 28 -5.382 17.497 64.870 1.00 0.00 ATOM 230 CD2 LEU A 28 -6.957 18.674 63.383 1.00 0.00 ATOM 231 O LEU A 28 -6.506 23.044 65.072 1.00 0.00 ATOM 232 C LEU A 28 -5.419 22.479 64.900 1.00 0.00 ATOM 233 N SER A 29 -4.292 22.907 65.527 1.00 0.00 ATOM 234 CA SER A 29 -4.315 24.034 66.453 1.00 0.00 ATOM 235 CB SER A 29 -2.918 24.292 67.020 1.00 0.00 ATOM 236 OG SER A 29 -2.499 23.222 67.850 1.00 0.00 ATOM 237 O SER A 29 -5.555 26.125 66.300 1.00 0.00 ATOM 238 C SER A 29 -4.775 25.325 65.764 1.00 0.00 ATOM 239 N CYS A 30 -4.276 25.540 64.564 1.00 0.00 ATOM 240 CA CYS A 30 -4.671 26.705 63.770 1.00 0.00 ATOM 241 CB CYS A 30 -3.848 26.781 62.483 1.00 0.00 ATOM 242 SG CYS A 30 -2.106 27.199 62.735 1.00 0.00 ATOM 243 O CYS A 30 -6.879 27.579 63.483 1.00 0.00 ATOM 244 C CYS A 30 -6.149 26.604 63.402 1.00 0.00 ATOM 245 N ARG A 31 -6.592 25.410 63.027 1.00 0.00 ATOM 246 CA ARG A 31 -8.024 25.216 62.769 1.00 0.00 ATOM 247 CB ARG A 31 -8.308 23.759 62.398 1.00 0.00 ATOM 248 CG ARG A 31 -7.792 23.354 61.027 1.00 0.00 ATOM 249 CD ARG A 31 -8.042 21.880 60.755 1.00 0.00 ATOM 250 NE ARG A 31 -7.527 21.468 59.452 1.00 0.00 ATOM 251 CZ ARG A 31 -7.549 20.219 59.000 1.00 0.00 ATOM 252 NH1 ARG A 31 -7.056 19.938 57.802 1.00 0.00 ATOM 253 NH2 ARG A 31 -8.065 19.252 59.747 1.00 0.00 ATOM 254 O ARG A 31 -9.971 26.143 63.839 1.00 0.00 ATOM 255 C ARG A 31 -8.896 25.570 63.983 1.00 0.00 ATOM 256 N GLN A 32 -8.399 25.228 65.176 1.00 0.00 ATOM 257 CA GLN A 32 -9.124 25.483 66.421 1.00 0.00 ATOM 258 CB GLN A 32 -8.387 24.898 67.627 1.00 0.00 ATOM 259 CG GLN A 32 -9.074 25.154 68.958 1.00 0.00 ATOM 260 CD GLN A 32 -8.325 24.545 70.127 1.00 0.00 ATOM 261 OE1 GLN A 32 -7.236 23.995 69.961 1.00 0.00 ATOM 262 NE2 GLN A 32 -8.909 24.637 71.316 1.00 0.00 ATOM 263 O GLN A 32 -10.288 27.446 67.034 1.00 0.00 ATOM 264 C GLN A 32 -9.241 26.977 66.637 1.00 0.00 ATOM 265 N GLN A 33 -8.153 27.723 66.426 1.00 0.00 ATOM 266 CA GLN A 33 -8.153 29.179 66.565 1.00 0.00 ATOM 267 CB GLN A 33 -6.770 29.748 66.241 1.00 0.00 ATOM 268 CG GLN A 33 -5.710 29.432 67.284 1.00 0.00 ATOM 269 CD GLN A 33 -4.332 29.913 66.877 1.00 0.00 ATOM 270 OE1 GLN A 33 -4.139 30.410 65.767 1.00 0.00 ATOM 271 NE2 GLN A 33 -3.364 29.766 67.776 1.00 0.00 ATOM 272 O GLN A 33 -9.904 30.706 65.951 1.00 0.00 ATOM 273 C GLN A 33 -9.173 29.776 65.600 1.00 0.00 ATOM 274 N ALA A 34 -9.218 29.245 64.361 1.00 0.00 ATOM 275 CA ALA A 34 -10.151 29.745 63.354 1.00 0.00 ATOM 276 CB ALA A 34 -9.933 29.022 62.033 1.00 0.00 ATOM 277 O ALA A 34 -12.424 30.420 63.735 1.00 0.00 ATOM 278 C ALA A 34 -11.606 29.513 63.774 1.00 0.00 ATOM 279 N ALA A 35 -11.927 28.292 64.179 1.00 0.00 ATOM 280 CA ALA A 35 -13.305 27.974 64.564 1.00 0.00 ATOM 281 CB ALA A 35 -13.431 26.500 64.918 1.00 0.00 ATOM 282 O ALA A 35 -14.870 29.324 65.812 1.00 0.00 ATOM 283 C ALA A 35 -13.757 28.794 65.789 1.00 0.00 ATOM 284 N ASN A 36 -12.877 28.922 66.790 1.00 0.00 ATOM 285 CA ASN A 36 -13.187 29.700 67.967 1.00 0.00 ATOM 286 CB ASN A 36 -11.995 29.717 68.926 1.00 0.00 ATOM 287 CG ASN A 36 -12.329 30.356 70.260 1.00 0.00 ATOM 288 ND2 ASN A 36 -11.612 31.419 70.602 1.00 0.00 ATOM 289 OD1 ASN A 36 -13.222 29.896 70.973 1.00 0.00 ATOM 290 O ASN A 36 -14.478 31.720 68.107 1.00 0.00 ATOM 291 C ASN A 36 -13.524 31.153 67.600 1.00 0.00 ATOM 292 N LEU A 37 -12.767 31.741 66.664 1.00 0.00 ATOM 293 CA LEU A 37 -13.042 33.111 66.239 1.00 0.00 ATOM 294 CB LEU A 37 -11.965 33.513 65.229 1.00 0.00 ATOM 295 CG LEU A 37 -10.566 33.767 65.794 1.00 0.00 ATOM 296 CD1 LEU A 37 -9.562 33.976 64.670 1.00 0.00 ATOM 297 CD2 LEU A 37 -10.560 35.006 66.676 1.00 0.00 ATOM 298 O LEU A 37 -15.109 34.158 65.681 1.00 0.00 ATOM 299 C LEU A 37 -14.386 33.180 65.534 1.00 0.00 ATOM 300 N ILE A 38 -14.737 32.150 64.749 1.00 0.00 ATOM 301 CA ILE A 38 -16.035 32.098 64.073 1.00 0.00 ATOM 302 CB ILE A 38 -16.191 30.834 63.206 1.00 0.00 ATOM 303 CG1 ILE A 38 -15.283 30.913 61.978 1.00 0.00 ATOM 304 CG2 ILE A 38 -17.630 30.687 62.733 1.00 0.00 ATOM 305 CD1 ILE A 38 -15.170 29.610 61.217 1.00 0.00 ATOM 306 O ILE A 38 -18.242 32.657 64.830 1.00 0.00 ATOM 307 C ILE A 38 -17.177 32.098 65.091 1.00 0.00 ATOM 308 N GLN A 39 -16.928 31.497 66.282 1.00 0.00 ATOM 309 CA GLN A 39 -17.941 31.486 67.336 1.00 0.00 ATOM 310 CB GLN A 39 -17.558 30.737 68.579 1.00 0.00 ATOM 311 CG GLN A 39 -17.502 29.155 68.337 1.00 0.00 ATOM 312 CD GLN A 39 -18.731 28.557 67.572 1.00 0.00 ATOM 313 OE1 GLN A 39 -18.626 27.959 66.463 1.00 0.00 ATOM 314 NE2 GLN A 39 -19.875 28.702 68.167 1.00 0.00 ATOM 315 O GLN A 39 -19.378 33.327 67.924 1.00 0.00 ATOM 316 C GLN A 39 -18.227 32.931 67.730 1.00 0.00 ATOM 317 N GLU A 40 -17.150 33.721 67.860 1.00 0.00 ATOM 318 CA GLU A 40 -17.262 35.122 68.254 1.00 0.00 ATOM 319 CB GLU A 40 -15.884 35.771 68.397 1.00 0.00 ATOM 320 CG GLU A 40 -15.928 37.242 68.777 1.00 0.00 ATOM 321 CD GLU A 40 -14.546 37.837 68.965 1.00 0.00 ATOM 322 OE1 GLU A 40 -13.554 37.092 68.819 1.00 0.00 ATOM 323 OE2 GLU A 40 -14.454 39.046 69.262 1.00 0.00 ATOM 324 O GLU A 40 -18.844 36.779 67.521 1.00 0.00 ATOM 325 C GLU A 40 -18.003 35.916 67.202 1.00 0.00 ATOM 326 N MET A 41 -17.673 35.656 65.942 1.00 0.00 ATOM 327 CA MET A 41 -18.284 36.329 64.831 1.00 0.00 ATOM 328 CB MET A 41 -17.690 35.832 63.511 1.00 0.00 ATOM 329 CG MET A 41 -16.246 36.249 63.284 1.00 0.00 ATOM 330 SD MET A 41 -15.573 35.612 61.737 1.00 0.00 ATOM 331 CE MET A 41 -13.882 36.196 61.838 1.00 0.00 ATOM 332 O MET A 41 -20.620 36.961 64.675 1.00 0.00 ATOM 333 C MET A 41 -19.787 36.045 64.846 1.00 0.00 ATOM 334 N GLY A 42 -20.149 34.785 65.024 1.00 0.00 ATOM 335 CA GLY A 42 -21.588 34.445 65.095 1.00 0.00 ATOM 336 O GLY A 42 -23.388 35.717 66.004 1.00 0.00 ATOM 337 C GLY A 42 -22.288 35.210 66.220 1.00 0.00 ATOM 338 N GLN A 43 -21.633 35.354 67.367 1.00 0.00 ATOM 339 CA GLN A 43 -22.251 36.079 68.480 1.00 0.00 ATOM 340 CB GLN A 43 -21.362 36.002 69.723 1.00 0.00 ATOM 341 CG GLN A 43 -21.948 36.687 70.947 1.00 0.00 ATOM 342 CD GLN A 43 -23.231 36.036 71.421 1.00 0.00 ATOM 343 OE1 GLN A 43 -23.317 34.813 71.524 1.00 0.00 ATOM 344 NE2 GLN A 43 -24.235 36.854 71.713 1.00 0.00 ATOM 345 O GLN A 43 -23.454 38.146 68.456 1.00 0.00 ATOM 346 C GLN A 43 -22.418 37.547 68.138 1.00 0.00 ATOM 347 N ARG A 44 -21.400 38.137 67.525 1.00 0.00 ATOM 348 CA ARG A 44 -21.429 39.555 67.179 1.00 0.00 ATOM 349 CB ARG A 44 -20.162 40.016 66.507 1.00 0.00 ATOM 350 CG ARG A 44 -18.950 39.974 67.437 1.00 0.00 ATOM 351 CD ARG A 44 -17.757 40.762 66.896 1.00 0.00 ATOM 352 NE ARG A 44 -17.282 40.289 65.597 1.00 0.00 ATOM 353 CZ ARG A 44 -16.399 39.308 65.413 1.00 0.00 ATOM 354 NH1 ARG A 44 -16.039 38.970 64.182 1.00 0.00 ATOM 355 NH2 ARG A 44 -15.885 38.655 66.451 1.00 0.00 ATOM 356 O ARG A 44 -23.178 40.938 66.289 1.00 0.00 ATOM 357 C ARG A 44 -22.554 39.881 66.200 1.00 0.00 ATOM 358 N LEU A 45 -22.834 38.954 65.280 1.00 0.00 ATOM 359 CA LEU A 45 -23.879 39.188 64.291 1.00 0.00 ATOM 360 CB LEU A 45 -23.392 38.681 62.933 1.00 0.00 ATOM 361 CG LEU A 45 -22.125 39.337 62.380 1.00 0.00 ATOM 362 CD1 LEU A 45 -21.702 38.677 61.077 1.00 0.00 ATOM 363 CD2 LEU A 45 -22.358 40.816 62.109 1.00 0.00 ATOM 364 O LEU A 45 -26.152 38.631 63.849 1.00 0.00 ATOM 365 C LEU A 45 -25.211 38.553 64.645 1.00 0.00 ATOM 366 N ASN A 46 -25.272 37.926 65.802 1.00 0.00 ATOM 367 CA ASN A 46 -26.469 37.224 66.255 1.00 0.00 ATOM 368 CB ASN A 46 -27.606 38.228 66.455 1.00 0.00 ATOM 369 CG ASN A 46 -27.313 39.231 67.553 1.00 0.00 ATOM 370 ND2 ASN A 46 -27.890 40.422 67.435 1.00 0.00 ATOM 371 OD1 ASN A 46 -26.577 38.937 68.494 1.00 0.00 ATOM 372 O ASN A 46 -28.129 35.980 64.989 1.00 0.00 ATOM 373 C ASN A 46 -26.926 36.144 65.255 1.00 0.00 ATOM 374 N VAL A 47 -25.950 35.448 64.709 1.00 0.00 ATOM 375 CA VAL A 47 -26.209 34.329 63.777 1.00 0.00 ATOM 376 CB VAL A 47 -24.950 33.971 62.965 1.00 0.00 ATOM 377 CG1 VAL A 47 -24.476 35.170 62.160 1.00 0.00 ATOM 378 CG2 VAL A 47 -23.822 33.541 63.894 1.00 0.00 ATOM 379 O VAL A 47 -26.387 32.832 65.682 1.00 0.00 ATOM 380 C VAL A 47 -26.661 33.070 64.493 1.00 0.00 ATOM 381 N SER A 48 -27.336 32.229 63.744 1.00 0.00 ATOM 382 CA SER A 48 -27.772 30.927 64.251 1.00 0.00 ATOM 383 CB SER A 48 -28.677 30.231 63.232 1.00 0.00 ATOM 384 OG SER A 48 -29.868 30.970 63.020 1.00 0.00 ATOM 385 O SER A 48 -25.572 30.017 63.830 1.00 0.00 ATOM 386 C SER A 48 -26.599 30.006 64.541 1.00 0.00 ATOM 387 N GLN A 49 -26.768 29.149 65.518 1.00 0.00 ATOM 388 CA GLN A 49 -25.778 28.068 65.711 1.00 0.00 ATOM 389 CB GLN A 49 -26.193 27.168 66.876 1.00 0.00 ATOM 390 CG GLN A 49 -26.058 27.818 68.242 1.00 0.00 ATOM 391 CD GLN A 49 -26.583 26.940 69.361 1.00 0.00 ATOM 392 OE1 GLN A 49 -27.137 25.869 69.114 1.00 0.00 ATOM 393 NE2 GLN A 49 -26.410 27.392 70.597 1.00 0.00 ATOM 394 O GLN A 49 -24.527 26.752 64.151 1.00 0.00 ATOM 395 C GLN A 49 -25.637 27.177 64.485 1.00 0.00 ATOM 396 N LEU A 50 -26.759 26.942 63.789 1.00 0.00 ATOM 397 CA LEU A 50 -26.708 26.166 62.530 1.00 0.00 ATOM 398 CB LEU A 50 -28.078 26.158 61.849 1.00 0.00 ATOM 399 CG LEU A 50 -28.179 25.376 60.536 1.00 0.00 ATOM 400 CD1 LEU A 50 -27.897 23.901 60.768 1.00 0.00 ATOM 401 CD2 LEU A 50 -29.572 25.507 59.940 1.00 0.00 ATOM 402 O LEU A 50 -24.982 26.095 60.842 1.00 0.00 ATOM 403 C LEU A 50 -25.752 26.788 61.512 1.00 0.00 ATOM 404 N THR A 51 -25.733 28.124 61.416 1.00 0.00 ATOM 405 CA THR A 51 -24.801 28.795 60.498 1.00 0.00 ATOM 406 CB THR A 51 -25.015 30.317 60.577 1.00 0.00 ATOM 407 CG2 THR A 51 -24.069 31.039 59.629 1.00 0.00 ATOM 408 OG1 THR A 51 -26.365 30.632 60.213 1.00 0.00 ATOM 409 O THR A 51 -22.515 28.264 59.943 1.00 0.00 ATOM 410 C THR A 51 -23.332 28.483 60.833 1.00 0.00 ATOM 411 N ILE A 52 -22.999 28.460 62.126 1.00 0.00 ATOM 412 CA ILE A 52 -21.637 28.174 62.577 1.00 0.00 ATOM 413 CB ILE A 52 -21.566 28.374 64.098 1.00 0.00 ATOM 414 CG1 ILE A 52 -21.607 29.865 64.451 1.00 0.00 ATOM 415 CG2 ILE A 52 -20.372 27.643 64.710 1.00 0.00 ATOM 416 CD1 ILE A 52 -21.996 30.140 65.885 1.00 0.00 ATOM 417 O ILE A 52 -20.188 26.500 61.625 1.00 0.00 ATOM 418 C ILE A 52 -21.280 26.744 62.166 1.00 0.00 ATOM 419 N ASN A 53 -22.184 25.801 62.444 1.00 0.00 ATOM 420 CA ASN A 53 -21.945 24.412 62.116 1.00 0.00 ATOM 421 CB ASN A 53 -23.136 23.549 62.538 1.00 0.00 ATOM 422 CG ASN A 53 -23.223 23.371 64.041 1.00 0.00 ATOM 423 ND2 ASN A 53 -24.403 22.995 64.523 1.00 0.00 ATOM 424 OD1 ASN A 53 -22.241 23.570 64.757 1.00 0.00 ATOM 425 O ASN A 53 -20.825 23.488 60.170 1.00 0.00 ATOM 426 C ASN A 53 -21.736 24.225 60.625 1.00 0.00 ATOM 427 N THR A 54 -22.588 24.863 59.834 1.00 0.00 ATOM 428 CA THR A 54 -22.414 24.786 58.350 1.00 0.00 ATOM 429 CB THR A 54 -23.442 25.584 57.610 1.00 0.00 ATOM 430 CG2 THR A 54 -23.318 25.353 56.107 1.00 0.00 ATOM 431 OG1 THR A 54 -24.738 25.175 58.056 1.00 0.00 ATOM 432 O THR A 54 -20.399 24.742 57.037 1.00 0.00 ATOM 433 C THR A 54 -21.073 25.329 57.884 1.00 0.00 ATOM 434 N ALA A 55 -20.641 26.481 58.446 1.00 0.00 ATOM 435 CA ALA A 55 -19.344 27.050 58.050 1.00 0.00 ATOM 436 CB ALA A 55 -19.124 28.332 58.837 1.00 0.00 ATOM 437 O ALA A 55 -17.299 25.892 57.518 1.00 0.00 ATOM 438 C ALA A 55 -18.197 26.070 58.341 1.00 0.00 ATOM 439 N ILE A 56 -18.252 25.444 59.489 1.00 0.00 ATOM 440 CA ILE A 56 -17.213 24.482 59.838 1.00 0.00 ATOM 441 CB ILE A 56 -17.476 23.782 61.193 1.00 0.00 ATOM 442 CG1 ILE A 56 -17.484 24.868 62.311 1.00 0.00 ATOM 443 CG2 ILE A 56 -16.356 22.750 61.506 1.00 0.00 ATOM 444 CD1 ILE A 56 -16.209 25.753 62.417 1.00 0.00 ATOM 445 O ILE A 56 -16.122 22.870 58.407 1.00 0.00 ATOM 446 C ILE A 56 -17.188 23.305 58.850 1.00 0.00 ATOM 447 N VAL A 57 -18.365 22.793 58.536 1.00 0.00 ATOM 448 CA VAL A 57 -18.492 21.771 57.473 1.00 0.00 ATOM 449 CB VAL A 57 -19.979 21.512 57.102 1.00 0.00 ATOM 450 CG1 VAL A 57 -20.109 20.702 55.795 1.00 0.00 ATOM 451 CG2 VAL A 57 -20.641 20.734 58.270 1.00 0.00 ATOM 452 O VAL A 57 -17.005 21.441 55.571 1.00 0.00 ATOM 453 C VAL A 57 -17.787 22.198 56.182 1.00 0.00 ATOM 454 N TYR A 58 -18.087 23.403 55.729 1.00 0.00 ATOM 455 CA TYR A 58 -17.513 23.946 54.457 1.00 0.00 ATOM 456 CB TYR A 58 -18.006 25.374 54.186 1.00 0.00 ATOM 457 CG TYR A 58 -19.454 25.518 53.696 1.00 0.00 ATOM 458 CD1 TYR A 58 -20.270 26.550 54.184 1.00 0.00 ATOM 459 CD2 TYR A 58 -20.006 24.636 52.766 1.00 0.00 ATOM 460 CE1 TYR A 58 -21.584 26.705 53.778 1.00 0.00 ATOM 461 CE2 TYR A 58 -21.347 24.793 52.353 1.00 0.00 ATOM 462 CZ TYR A 58 -22.119 25.827 52.874 1.00 0.00 ATOM 463 OH TYR A 58 -23.453 25.968 52.528 1.00 0.00 ATOM 464 O TYR A 58 -15.261 23.624 53.660 1.00 0.00 ATOM 465 C TYR A 58 -15.985 24.021 54.558 1.00 0.00 ATOM 466 N MET A 59 -15.498 24.546 55.675 1.00 0.00 ATOM 467 CA MET A 59 -14.074 24.688 55.887 1.00 0.00 ATOM 468 CB MET A 59 -13.796 25.293 57.265 1.00 0.00 ATOM 469 CG MET A 59 -14.206 26.751 57.396 1.00 0.00 ATOM 470 SD MET A 59 -13.984 27.388 59.069 1.00 0.00 ATOM 471 CE MET A 59 -12.198 27.395 59.194 1.00 0.00 ATOM 472 O MET A 59 -12.395 23.197 55.100 1.00 0.00 ATOM 473 C MET A 59 -13.375 23.351 55.813 1.00 0.00 ATOM 474 N HIS A 60 -13.874 22.371 56.550 1.00 0.00 ATOM 475 CA HIS A 60 -13.209 21.043 56.556 1.00 0.00 ATOM 476 CB HIS A 60 -13.895 20.105 57.550 1.00 0.00 ATOM 477 CG HIS A 60 -13.667 20.474 58.985 1.00 0.00 ATOM 478 CD2 HIS A 60 -12.756 21.357 59.698 1.00 0.00 ATOM 479 ND1 HIS A 60 -14.411 19.944 60.016 1.00 0.00 ATOM 480 CE1 HIS A 60 -13.978 20.463 61.179 1.00 0.00 ATOM 481 NE2 HIS A 60 -12.984 21.310 60.995 1.00 0.00 ATOM 482 O HIS A 60 -12.226 19.809 54.723 1.00 0.00 ATOM 483 C HIS A 60 -13.215 20.378 55.188 1.00 0.00 ATOM 484 N ARG A 61 -14.325 20.512 54.480 1.00 0.00 ATOM 485 CA ARG A 61 -14.423 19.954 53.133 1.00 0.00 ATOM 486 CB ARG A 61 -15.832 20.098 52.555 1.00 0.00 ATOM 487 CG ARG A 61 -16.857 19.167 53.183 1.00 0.00 ATOM 488 CD ARG A 61 -18.235 19.376 52.574 1.00 0.00 ATOM 489 NE ARG A 61 -18.281 18.971 51.171 1.00 0.00 ATOM 490 CZ ARG A 61 -18.433 17.716 50.760 1.00 0.00 ATOM 491 NH1 ARG A 61 -18.462 17.443 49.463 1.00 0.00 ATOM 492 NH2 ARG A 61 -18.554 16.738 51.646 1.00 0.00 ATOM 493 O ARG A 61 -12.758 20.038 51.387 1.00 0.00 ATOM 494 C ARG A 61 -13.450 20.673 52.185 1.00 0.00 ATOM 495 N PHE A 62 -13.363 21.998 52.316 1.00 0.00 ATOM 496 CA PHE A 62 -12.465 22.781 51.470 1.00 0.00 ATOM 497 CB PHE A 62 -12.606 24.236 51.721 1.00 0.00 ATOM 498 CG PHE A 62 -12.116 25.095 50.594 1.00 0.00 ATOM 499 CD1 PHE A 62 -12.933 25.349 49.492 1.00 0.00 ATOM 500 CD2 PHE A 62 -10.860 25.692 50.648 1.00 0.00 ATOM 501 CE1 PHE A 62 -12.512 26.190 48.463 1.00 0.00 ATOM 502 CE2 PHE A 62 -10.426 26.535 49.624 1.00 0.00 ATOM 503 CZ PHE A 62 -11.254 26.788 48.528 1.00 0.00 ATOM 504 O PHE A 62 -10.250 22.037 50.795 1.00 0.00 ATOM 505 C PHE A 62 -11.004 22.334 51.732 1.00 0.00 ATOM 506 N TYR A 63 -10.638 22.269 53.010 1.00 0.00 ATOM 507 CA TYR A 63 -9.263 21.968 53.382 1.00 0.00 ATOM 508 CB TYR A 63 -9.042 22.235 54.872 1.00 0.00 ATOM 509 CG TYR A 63 -9.002 23.702 55.233 1.00 0.00 ATOM 510 CD1 TYR A 63 -10.093 24.318 55.831 1.00 0.00 ATOM 511 CD2 TYR A 63 -7.872 24.467 54.974 1.00 0.00 ATOM 512 CE1 TYR A 63 -10.066 25.659 56.164 1.00 0.00 ATOM 513 CE2 TYR A 63 -7.826 25.809 55.301 1.00 0.00 ATOM 514 CZ TYR A 63 -8.937 26.403 55.900 1.00 0.00 ATOM 515 OH TYR A 63 -8.906 27.738 56.231 1.00 0.00 ATOM 516 O TYR A 63 -7.770 20.203 52.774 1.00 0.00 ATOM 517 C TYR A 63 -8.927 20.521 53.055 1.00 0.00 ATOM 518 N MET A 64 -10.002 19.627 52.969 1.00 0.00 ATOM 519 CA MET A 64 -9.754 18.253 52.565 1.00 0.00 ATOM 520 CB MET A 64 -11.065 17.462 52.683 1.00 0.00 ATOM 521 CG MET A 64 -11.697 17.517 54.073 1.00 0.00 ATOM 522 SD MET A 64 -10.657 16.899 55.429 1.00 0.00 ATOM 523 CE MET A 64 -9.944 18.448 56.023 1.00 0.00 ATOM 524 O MET A 64 -8.561 17.127 50.882 1.00 0.00 ATOM 525 C MET A 64 -9.224 18.124 51.180 1.00 0.00 ATOM 526 N HIS A 65 -9.479 19.090 50.299 1.00 0.00 ATOM 527 CA HIS A 65 -8.898 18.978 48.975 1.00 0.00 ATOM 528 CB HIS A 65 -9.996 18.872 47.915 1.00 0.00 ATOM 529 CG HIS A 65 -10.896 17.688 48.091 1.00 0.00 ATOM 530 CD2 HIS A 65 -12.291 17.490 48.451 1.00 0.00 ATOM 531 ND1 HIS A 65 -10.464 16.393 47.909 1.00 0.00 ATOM 532 CE1 HIS A 65 -11.489 15.553 48.137 1.00 0.00 ATOM 533 NE2 HIS A 65 -12.589 16.205 48.462 1.00 0.00 ATOM 534 O HIS A 65 -7.470 20.037 47.414 1.00 0.00 ATOM 535 C HIS A 65 -8.007 20.135 48.515 1.00 0.00 ATOM 536 N HIS A 66 -7.848 21.174 49.320 1.00 0.00 ATOM 537 CA HIS A 66 -7.087 22.355 48.916 1.00 0.00 ATOM 538 CB HIS A 66 -8.017 23.559 48.743 1.00 0.00 ATOM 539 CG HIS A 66 -9.072 23.362 47.700 1.00 0.00 ATOM 540 CD2 HIS A 66 -10.459 22.921 47.697 1.00 0.00 ATOM 541 ND1 HIS A 66 -8.852 23.609 46.362 1.00 0.00 ATOM 542 CE1 HIS A 66 -9.978 23.343 45.677 1.00 0.00 ATOM 543 NE2 HIS A 66 -10.946 22.930 46.471 1.00 0.00 ATOM 544 O HIS A 66 -6.376 22.946 51.135 1.00 0.00 ATOM 545 C HIS A 66 -6.039 22.692 49.970 1.00 0.00 ATOM 546 N SER A 67 -4.772 22.703 49.561 1.00 0.00 ATOM 547 CA SER A 67 -3.683 23.147 50.439 1.00 0.00 ATOM 548 CB SER A 67 -2.324 22.814 49.818 1.00 0.00 ATOM 549 OG SER A 67 -1.263 23.299 50.622 1.00 0.00 ATOM 550 O SER A 67 -3.939 25.391 49.650 1.00 0.00 ATOM 551 C SER A 67 -3.791 24.650 50.626 1.00 0.00 ATOM 552 N PHE A 68 -3.707 25.098 51.872 1.00 0.00 ATOM 553 CA PHE A 68 -3.903 26.536 52.220 1.00 0.00 ATOM 554 CB PHE A 68 -4.843 26.765 53.146 1.00 0.00 ATOM 555 CG PHE A 68 -5.752 27.607 52.282 1.00 0.00 ATOM 556 CD1 PHE A 68 -5.422 28.902 51.906 1.00 0.00 ATOM 557 CD2 PHE A 68 -6.950 27.047 51.858 1.00 0.00 ATOM 558 CE1 PHE A 68 -6.311 29.680 51.164 1.00 0.00 ATOM 559 CE2 PHE A 68 -7.863 27.791 51.098 1.00 0.00 ATOM 560 CZ PHE A 68 -7.533 29.108 50.774 1.00 0.00 ATOM 561 O PHE A 68 -2.200 26.168 53.857 1.00 0.00 ATOM 562 C PHE A 68 -2.714 26.957 53.072 1.00 0.00 ATOM 563 N THR A 69 -2.207 28.245 52.897 1.00 0.00 ATOM 564 CA THR A 69 -1.128 28.748 53.733 1.00 0.00 ATOM 565 CB THR A 69 -0.244 29.763 52.986 1.00 0.00 ATOM 566 CG2 THR A 69 0.464 29.095 51.818 1.00 0.00 ATOM 567 OG1 THR A 69 -1.057 30.833 52.485 1.00 0.00 ATOM 568 O THR A 69 -2.981 29.914 54.701 1.00 0.00 ATOM 569 C THR A 69 -1.833 29.457 54.858 1.00 0.00 ATOM 570 N LYS A 70 -1.144 29.539 56.004 1.00 0.00 ATOM 571 CA LYS A 70 -1.751 30.046 57.222 1.00 0.00 ATOM 572 CB LYS A 70 -0.376 30.468 58.154 1.00 0.00 ATOM 573 CG LYS A 70 0.960 29.859 57.760 1.00 0.00 ATOM 574 CD LYS A 70 2.083 30.381 58.657 1.00 0.00 ATOM 575 CE LYS A 70 2.195 31.901 58.611 1.00 0.00 ATOM 576 NZ LYS A 70 3.160 32.426 59.625 1.00 0.00 ATOM 577 O LYS A 70 -3.362 31.773 57.600 1.00 0.00 ATOM 578 C LYS A 70 -2.309 31.439 57.042 1.00 0.00 ATOM 579 N PHE A 71 -1.669 32.308 56.227 1.00 0.00 ATOM 580 CA PHE A 71 -2.151 33.661 55.990 1.00 0.00 ATOM 581 CB PHE A 71 -1.125 34.457 55.179 1.00 0.00 ATOM 582 CG PHE A 71 0.106 34.827 55.956 1.00 0.00 ATOM 583 CD1 PHE A 71 1.276 34.103 55.810 1.00 0.00 ATOM 584 CD2 PHE A 71 0.094 35.898 56.831 1.00 0.00 ATOM 585 CE1 PHE A 71 2.410 34.443 56.524 1.00 0.00 ATOM 586 CE2 PHE A 71 1.228 36.237 57.546 1.00 0.00 ATOM 587 CZ PHE A 71 2.382 35.516 57.395 1.00 0.00 ATOM 588 O PHE A 71 -4.174 34.809 55.487 1.00 0.00 ATOM 589 C PHE A 71 -3.535 33.771 55.339 1.00 0.00 ATOM 590 N ASN A 72 -3.840 32.757 54.598 1.00 0.00 ATOM 591 CA ASN A 72 -5.098 32.691 53.879 1.00 0.00 ATOM 592 CB ASN A 72 -4.883 32.039 52.513 1.00 0.00 ATOM 593 CG ASN A 72 -3.982 32.858 51.611 1.00 0.00 ATOM 594 ND2 ASN A 72 -3.235 32.179 50.747 1.00 0.00 ATOM 595 OD1 ASN A 72 -3.958 34.086 51.690 1.00 0.00 ATOM 596 O ASN A 72 -7.333 31.832 54.160 1.00 0.00 ATOM 597 C ASN A 72 -6.188 31.881 54.618 1.00 0.00 ATOM 598 N LYS A 73 -5.851 31.396 55.832 1.00 0.00 ATOM 599 CA LYS A 73 -6.827 30.623 56.598 1.00 0.00 ATOM 600 CB LYS A 73 -6.060 30.604 58.120 1.00 0.00 ATOM 601 CG LYS A 73 -6.321 29.493 59.118 1.00 0.00 ATOM 602 CD LYS A 73 -5.618 29.758 60.444 1.00 0.00 ATOM 603 CE LYS A 73 -4.105 29.723 60.288 1.00 0.00 ATOM 604 NZ LYS A 73 -3.410 29.781 61.604 1.00 0.00 ATOM 605 O LYS A 73 -9.190 31.011 56.925 1.00 0.00 ATOM 606 C LYS A 73 -8.028 31.411 57.000 1.00 0.00 ATOM 607 N ASN A 74 -7.816 32.713 57.467 1.00 0.00 ATOM 608 CA ASN A 74 -8.873 33.624 57.836 1.00 0.00 ATOM 609 CB ASN A 74 -8.321 34.919 58.434 1.00 0.00 ATOM 610 CG ASN A 74 -7.728 34.717 59.814 1.00 0.00 ATOM 611 ND2 ASN A 74 -6.866 35.638 60.227 1.00 0.00 ATOM 612 OD1 ASN A 74 -8.041 33.743 60.499 1.00 0.00 ATOM 613 O ASN A 74 -10.974 34.228 56.756 1.00 0.00 ATOM 614 C ASN A 74 -9.763 33.985 56.615 1.00 0.00 ATOM 615 N ILE A 75 -9.158 34.016 55.426 1.00 0.00 ATOM 616 CA ILE A 75 -9.924 34.275 54.197 1.00 0.00 ATOM 617 CB ILE A 75 -8.997 34.436 52.979 1.00 0.00 ATOM 618 CG1 ILE A 75 -8.160 35.711 53.112 1.00 0.00 ATOM 619 CG2 ILE A 75 -9.812 34.525 51.697 1.00 0.00 ATOM 620 CD1 ILE A 75 -7.042 35.814 52.097 1.00 0.00 ATOM 621 O ILE A 75 -12.046 33.338 53.599 1.00 0.00 ATOM 622 C ILE A 75 -10.867 33.133 53.902 1.00 0.00 ATOM 623 N ILE A 76 -10.364 31.918 54.060 1.00 0.00 ATOM 624 CA ILE A 76 -11.215 30.723 53.910 1.00 0.00 ATOM 625 CB ILE A 76 -10.497 29.416 54.191 1.00 0.00 ATOM 626 CG1 ILE A 76 -9.599 29.021 53.045 1.00 0.00 ATOM 627 CG2 ILE A 76 -11.483 28.267 54.339 1.00 0.00 ATOM 628 CD1 ILE A 76 -10.432 28.730 51.795 1.00 0.00 ATOM 629 O ILE A 76 -13.538 30.498 54.521 1.00 0.00 ATOM 630 C ILE A 76 -12.387 30.756 54.893 1.00 0.00 ATOM 631 N SER A 77 -12.103 31.078 56.136 1.00 0.00 ATOM 632 CA SER A 77 -13.125 31.126 57.176 1.00 0.00 ATOM 633 CB SER A 77 -12.524 31.394 58.558 1.00 0.00 ATOM 634 OG SER A 77 -11.945 32.686 58.622 1.00 0.00 ATOM 635 O SER A 77 -15.374 31.986 57.171 1.00 0.00 ATOM 636 C SER A 77 -14.153 32.192 56.939 1.00 0.00 ATOM 637 N SER A 78 -13.686 33.356 56.520 1.00 0.00 ATOM 638 CA SER A 78 -14.575 34.480 56.296 1.00 0.00 ATOM 639 CB SER A 78 -13.775 35.735 55.941 1.00 0.00 ATOM 640 OG SER A 78 -12.980 36.159 57.034 1.00 0.00 ATOM 641 O SER A 78 -16.776 34.397 55.227 1.00 0.00 ATOM 642 C SER A 78 -15.543 34.164 55.132 1.00 0.00 ATOM 643 N THR A 79 -15.021 33.601 54.043 1.00 0.00 ATOM 644 CA THR A 79 -15.888 33.219 52.865 1.00 0.00 ATOM 645 CB THR A 79 -15.044 32.681 51.695 1.00 0.00 ATOM 646 CG2 THR A 79 -15.939 32.267 50.538 1.00 0.00 ATOM 647 OG1 THR A 79 -14.144 33.700 51.243 1.00 0.00 ATOM 648 O THR A 79 -18.069 32.165 52.981 1.00 0.00 ATOM 649 C THR A 79 -16.896 32.138 53.326 1.00 0.00 ATOM 650 N ALA A 80 -16.446 31.211 54.154 1.00 0.00 ATOM 651 CA ALA A 80 -17.299 30.145 54.651 1.00 0.00 ATOM 652 CB ALA A 80 -16.511 29.217 55.562 1.00 0.00 ATOM 653 O ALA A 80 -19.648 30.325 55.304 1.00 0.00 ATOM 654 C ALA A 80 -18.485 30.699 55.479 1.00 0.00 ATOM 655 N LEU A 81 -18.183 31.669 56.329 1.00 0.00 ATOM 656 CA LEU A 81 -19.185 32.315 57.176 1.00 0.00 ATOM 657 CB LEU A 81 -18.510 33.240 58.191 1.00 0.00 ATOM 658 CG LEU A 81 -19.437 33.960 59.174 1.00 0.00 ATOM 659 CD1 LEU A 81 -20.210 32.957 60.016 1.00 0.00 ATOM 660 CD2 LEU A 81 -18.638 34.853 60.110 1.00 0.00 ATOM 661 O LEU A 81 -21.371 33.148 56.616 1.00 0.00 ATOM 662 C LEU A 81 -20.151 33.143 56.338 1.00 0.00 ATOM 663 N PHE A 82 -19.627 33.814 55.326 1.00 0.00 ATOM 664 CA PHE A 82 -20.459 34.513 54.358 1.00 0.00 ATOM 665 CB PHE A 82 -19.592 35.155 53.272 1.00 0.00 ATOM 666 CG PHE A 82 -20.381 35.865 52.209 1.00 0.00 ATOM 667 CD1 PHE A 82 -20.893 37.131 52.433 1.00 0.00 ATOM 668 CD2 PHE A 82 -20.611 35.265 50.983 1.00 0.00 ATOM 669 CE1 PHE A 82 -21.618 37.782 51.455 1.00 0.00 ATOM 670 CE2 PHE A 82 -21.337 35.917 50.004 1.00 0.00 ATOM 671 CZ PHE A 82 -21.839 37.171 50.235 1.00 0.00 ATOM 672 O PHE A 82 -22.672 33.800 53.581 1.00 0.00 ATOM 673 C PHE A 82 -21.459 33.539 53.662 1.00 0.00 ATOM 674 N LEU A 83 -20.947 32.445 53.119 1.00 0.00 ATOM 675 CA LEU A 83 -21.770 31.483 52.418 1.00 0.00 ATOM 676 CB LEU A 83 -20.907 30.364 51.833 1.00 0.00 ATOM 677 CG LEU A 83 -21.646 29.279 51.045 1.00 0.00 ATOM 678 CD1 LEU A 83 -22.353 29.876 49.839 1.00 0.00 ATOM 679 CD2 LEU A 83 -20.673 28.219 50.549 1.00 0.00 ATOM 680 O LEU A 83 -23.989 30.742 52.971 1.00 0.00 ATOM 681 C LEU A 83 -22.801 30.838 53.340 1.00 0.00 ATOM 682 N ALA A 84 -22.384 30.445 54.547 1.00 0.00 ATOM 683 CA ALA A 84 -23.302 29.849 55.491 1.00 0.00 ATOM 684 CB ALA A 84 -22.523 29.328 56.704 1.00 0.00 ATOM 685 O ALA A 84 -25.583 30.337 56.079 1.00 0.00 ATOM 686 C ALA A 84 -24.451 30.812 55.886 1.00 0.00 ATOM 687 N ALA A 85 -24.149 32.112 55.981 1.00 0.00 ATOM 688 CA ALA A 85 -25.144 33.148 56.318 1.00 0.00 ATOM 689 CB ALA A 85 -24.517 34.463 56.572 1.00 0.00 ATOM 690 O ALA A 85 -27.325 33.304 55.343 1.00 0.00 ATOM 691 C ALA A 85 -26.133 33.230 55.148 1.00 0.00 ATOM 692 N LYS A 86 -25.629 33.211 53.920 1.00 0.00 ATOM 693 CA LYS A 86 -26.545 33.105 52.764 1.00 0.00 ATOM 694 CB LYS A 86 -25.723 33.163 51.475 1.00 0.00 ATOM 695 CG LYS A 86 -26.478 33.026 50.171 1.00 0.00 ATOM 696 CD LYS A 86 -25.486 33.084 48.976 1.00 0.00 ATOM 697 CE LYS A 86 -26.181 33.118 47.519 1.00 0.00 ATOM 698 NZ LYS A 86 -25.153 33.465 46.389 1.00 0.00 ATOM 699 O LYS A 86 -28.644 31.966 52.515 1.00 0.00 ATOM 700 C LYS A 86 -27.445 31.871 52.813 1.00 0.00 ATOM 701 N VAL A 87 -26.960 30.711 53.154 1.00 0.00 ATOM 702 CA VAL A 87 -27.764 29.506 53.266 1.00 0.00 ATOM 703 CB VAL A 87 -26.893 28.246 53.615 1.00 0.00 ATOM 704 CG1 VAL A 87 -27.765 27.117 53.823 1.00 0.00 ATOM 705 CG2 VAL A 87 -25.893 27.975 52.481 1.00 0.00 ATOM 706 O VAL A 87 -30.009 29.446 54.106 1.00 0.00 ATOM 707 C VAL A 87 -28.849 29.754 54.308 1.00 0.00 ATOM 708 N GLU A 88 -28.519 30.306 55.470 1.00 0.00 ATOM 709 CA GLU A 88 -29.509 30.551 56.530 1.00 0.00 ATOM 710 CB GLU A 88 -28.887 30.212 57.885 1.00 0.00 ATOM 711 CG GLU A 88 -28.555 28.739 58.066 1.00 0.00 ATOM 712 CD GLU A 88 -29.765 27.842 57.880 1.00 0.00 ATOM 713 OE1 GLU A 88 -30.832 28.159 58.447 1.00 0.00 ATOM 714 OE2 GLU A 88 -29.646 26.825 57.167 1.00 0.00 ATOM 715 O GLU A 88 -31.205 32.174 57.034 1.00 0.00 ATOM 716 C GLU A 88 -30.033 31.976 56.733 1.00 0.00 ATOM 717 N GLU A 89 -29.145 32.951 56.654 1.00 0.00 ATOM 718 CA GLU A 89 -29.517 34.354 56.884 1.00 0.00 ATOM 719 CB GLU A 89 -28.312 35.154 57.381 1.00 0.00 ATOM 720 CG GLU A 89 -27.778 34.700 58.730 1.00 0.00 ATOM 721 CD GLU A 89 -26.627 35.556 59.218 1.00 0.00 ATOM 722 OE1 GLU A 89 -25.635 35.701 58.474 1.00 0.00 ATOM 723 OE2 GLU A 89 -26.716 36.083 60.347 1.00 0.00 ATOM 724 O GLU A 89 -29.565 34.808 54.550 1.00 0.00 ATOM 725 C GLU A 89 -30.038 35.066 55.643 1.00 0.00 ATOM 726 N GLN A 90 -30.905 36.060 55.842 1.00 0.00 ATOM 727 CA GLN A 90 -31.277 36.951 54.760 1.00 0.00 ATOM 728 CB GLN A 90 -32.434 37.841 55.081 1.00 0.00 ATOM 729 CG GLN A 90 -33.755 37.082 55.218 1.00 0.00 ATOM 730 CD GLN A 90 -33.990 36.113 54.073 1.00 0.00 ATOM 731 OE1 GLN A 90 -33.880 36.490 52.909 1.00 0.00 ATOM 732 NE2 GLN A 90 -34.289 34.855 54.405 1.00 0.00 ATOM 733 O GLN A 90 -29.742 37.948 53.228 1.00 0.00 ATOM 734 C GLN A 90 -30.085 37.829 54.400 1.00 0.00 ATOM 735 N ALA A 91 -29.127 37.518 55.757 1.00 0.00 ATOM 736 CA ALA A 91 -27.663 37.259 55.829 1.00 0.00 ATOM 737 CB ALA A 91 -27.208 36.453 54.621 1.00 0.00 ATOM 738 O ALA A 91 -27.273 39.445 54.958 1.00 0.00 ATOM 739 C ALA A 91 -26.905 38.575 55.747 1.00 0.00 ATOM 740 N ARG A 92 -25.739 38.621 56.565 1.00 0.00 ATOM 741 CA ARG A 92 -25.007 39.879 56.494 1.00 0.00 ATOM 742 CB ARG A 92 -23.807 39.773 57.438 1.00 0.00 ATOM 743 CG ARG A 92 -24.181 39.551 58.895 1.00 0.00 ATOM 744 CD ARG A 92 -24.808 40.795 59.500 1.00 0.00 ATOM 745 NE ARG A 92 -25.131 40.613 60.913 1.00 0.00 ATOM 746 CZ ARG A 92 -25.676 41.551 61.682 1.00 0.00 ATOM 747 NH1 ARG A 92 -25.934 41.296 62.957 1.00 0.00 ATOM 748 NH2 ARG A 92 -25.962 42.742 61.172 1.00 0.00 ATOM 749 O ARG A 92 -24.146 39.134 54.372 1.00 0.00 ATOM 750 C ARG A 92 -24.477 40.100 55.067 1.00 0.00 ATOM 751 N LYS A 93 -24.287 41.345 54.714 1.00 0.00 ATOM 752 CA LYS A 93 -23.725 41.697 53.424 1.00 0.00 ATOM 753 CB LYS A 93 -23.850 43.192 53.119 1.00 0.00 ATOM 754 CG LYS A 93 -25.278 43.668 52.916 1.00 0.00 ATOM 755 CD LYS A 93 -25.329 45.161 52.637 1.00 0.00 ATOM 756 CE LYS A 93 -26.751 45.624 52.363 1.00 0.00 ATOM 757 NZ LYS A 93 -26.818 47.087 52.096 1.00 0.00 ATOM 758 O LYS A 93 -21.557 41.188 54.377 1.00 0.00 ATOM 759 C LYS A 93 -22.216 41.329 53.364 1.00 0.00 ATOM 760 N LEU A 94 -21.725 41.137 52.151 1.00 0.00 ATOM 761 CA LEU A 94 -20.346 40.708 51.920 1.00 0.00 ATOM 762 CB LEU A 94 -20.047 40.651 50.420 1.00 0.00 ATOM 763 CG LEU A 94 -18.637 40.200 50.027 1.00 0.00 ATOM 764 CD1 LEU A 94 -18.371 38.784 50.516 1.00 0.00 ATOM 765 CD2 LEU A 94 -18.471 40.220 48.516 1.00 0.00 ATOM 766 O LEU A 94 -18.348 41.269 53.141 1.00 0.00 ATOM 767 C LEU A 94 -19.373 41.679 52.590 1.00 0.00 ATOM 768 N GLU A 95 -19.704 42.970 52.545 1.00 0.00 ATOM 769 CA GLU A 95 -18.850 43.978 53.165 1.00 0.00 ATOM 770 CB GLU A 95 -19.465 45.375 53.069 1.00 0.00 ATOM 771 CG GLU A 95 -19.452 45.965 51.667 1.00 0.00 ATOM 772 CD GLU A 95 -20.152 47.307 51.592 1.00 0.00 ATOM 773 OE1 GLU A 95 -20.709 47.744 52.622 1.00 0.00 ATOM 774 OE2 GLU A 95 -20.144 47.922 50.505 1.00 0.00 ATOM 775 O GLU A 95 -17.543 43.963 55.183 1.00 0.00 ATOM 776 C GLU A 95 -18.628 43.672 54.651 1.00 0.00 ATOM 777 N HIS A 96 -19.627 43.084 55.322 1.00 0.00 ATOM 778 CA HIS A 96 -19.478 42.701 56.735 1.00 0.00 ATOM 779 CB HIS A 96 -20.817 42.233 57.308 1.00 0.00 ATOM 780 CG HIS A 96 -21.817 43.333 57.483 1.00 0.00 ATOM 781 CD2 HIS A 96 -23.114 43.658 56.906 1.00 0.00 ATOM 782 ND1 HIS A 96 -21.631 44.374 58.365 1.00 0.00 ATOM 783 CE1 HIS A 96 -22.692 45.199 58.299 1.00 0.00 ATOM 784 NE2 HIS A 96 -23.586 44.775 57.426 1.00 0.00 ATOM 785 O HIS A 96 -17.670 41.586 57.827 1.00 0.00 ATOM 786 C HIS A 96 -18.484 41.582 56.893 1.00 0.00 ATOM 787 N VAL A 97 -18.556 40.606 55.984 1.00 0.00 ATOM 788 CA VAL A 97 -17.594 39.529 56.010 1.00 0.00 ATOM 789 CB VAL A 97 -17.899 38.474 54.930 1.00 0.00 ATOM 790 CG1 VAL A 97 -16.771 37.458 54.845 1.00 0.00 ATOM 791 CG2 VAL A 97 -19.188 37.734 55.257 1.00 0.00 ATOM 792 O VAL A 97 -15.230 39.593 56.539 1.00 0.00 ATOM 793 C VAL A 97 -16.155 40.049 55.850 1.00 0.00 ATOM 794 N ILE A 98 -16.046 41.006 54.943 1.00 0.00 ATOM 795 CA ILE A 98 -14.718 41.556 54.697 1.00 0.00 ATOM 796 CB ILE A 98 -14.678 42.578 53.547 1.00 0.00 ATOM 797 CG1 ILE A 98 -14.972 41.890 52.212 1.00 0.00 ATOM 798 CG2 ILE A 98 -13.306 43.231 53.461 1.00 0.00 ATOM 799 CD1 ILE A 98 -15.216 42.853 51.070 1.00 0.00 ATOM 800 O ILE A 98 -13.071 42.054 56.404 1.00 0.00 ATOM 801 C ILE A 98 -14.224 42.262 55.961 1.00 0.00 ATOM 802 N LYS A 99 -15.091 43.105 56.515 1.00 0.00 ATOM 803 CA LYS A 99 -14.783 43.872 57.740 1.00 0.00 ATOM 804 CB LYS A 99 -16.018 44.639 58.215 1.00 0.00 ATOM 805 CG LYS A 99 -15.788 45.479 59.462 1.00 0.00 ATOM 806 CD LYS A 99 -17.035 46.261 59.839 1.00 0.00 ATOM 807 CE LYS A 99 -16.819 47.062 61.112 1.00 0.00 ATOM 808 NZ LYS A 99 -18.027 47.851 61.483 1.00 0.00 ATOM 809 O LYS A 99 -13.322 43.194 59.539 1.00 0.00 ATOM 810 C LYS A 99 -14.344 42.939 58.866 1.00 0.00 ATOM 811 N VAL A 100 -15.096 41.830 59.074 1.00 0.00 ATOM 812 CA VAL A 100 -14.865 41.007 60.242 1.00 0.00 ATOM 813 CB VAL A 100 -15.968 39.945 60.411 1.00 0.00 ATOM 814 CG1 VAL A 100 -17.330 40.609 60.552 1.00 0.00 ATOM 815 CG2 VAL A 100 -16.007 39.021 59.204 1.00 0.00 ATOM 816 O VAL A 100 -12.984 39.776 61.186 1.00 0.00 ATOM 817 C VAL A 100 -13.505 40.242 60.169 1.00 0.00 ATOM 818 N ALA A 101 -12.902 40.175 58.996 1.00 0.00 ATOM 819 CA ALA A 101 -11.517 39.681 58.850 1.00 0.00 ATOM 820 CB ALA A 101 -11.303 39.104 57.460 1.00 0.00 ATOM 821 O ALA A 101 -9.253 40.445 58.808 1.00 0.00 ATOM 822 C ALA A 101 -10.425 40.741 59.042 1.00 0.00 ATOM 823 N HIS A 102 -10.813 41.966 59.406 1.00 0.00 ATOM 824 CA HIS A 102 -9.854 43.101 59.475 1.00 0.00 ATOM 825 CB HIS A 102 -8.740 42.799 60.478 1.00 0.00 ATOM 826 CG HIS A 102 -9.233 42.517 61.864 1.00 0.00 ATOM 827 CD2 HIS A 102 -9.275 41.352 62.734 1.00 0.00 ATOM 828 ND1 HIS A 102 -9.821 43.480 62.655 1.00 0.00 ATOM 829 CE1 HIS A 102 -10.159 42.931 63.835 1.00 0.00 ATOM 830 NE2 HIS A 102 -9.834 41.654 63.889 1.00 0.00 ATOM 831 O HIS A 102 -8.030 43.663 57.979 1.00 0.00 ATOM 832 C HIS A 102 -9.222 43.344 58.111 1.00 0.00 ATOM 833 N ALA A 103 -10.040 43.191 57.073 1.00 0.00 ATOM 834 CA ALA A 103 -9.600 43.399 55.703 1.00 0.00 ATOM 835 CB ALA A 103 -9.237 44.859 55.479 1.00 0.00 ATOM 836 O ALA A 103 -7.429 43.055 54.721 1.00 0.00 ATOM 837 C ALA A 103 -8.390 42.580 55.316 1.00 0.00 ATOM 838 N CYS A 104 -8.464 41.258 55.751 1.00 0.00 ATOM 839 CA CYS A 104 -7.377 40.340 55.424 1.00 0.00 ATOM 840 CB CYS A 104 -7.432 39.105 56.326 1.00 0.00 ATOM 841 SG CYS A 104 -5.969 38.046 56.233 1.00 0.00 ATOM 842 O CYS A 104 -6.598 39.754 53.226 1.00 0.00 ATOM 843 C CYS A 104 -7.556 39.946 53.951 1.00 0.00 ATOM 844 N LEU A 105 -8.809 39.840 53.543 1.00 0.00 ATOM 845 CA LEU A 105 -9.143 39.523 52.126 1.00 0.00 ATOM 846 CB LEU A 105 -10.633 39.567 51.969 1.00 0.00 ATOM 847 CG LEU A 105 -11.344 38.561 52.880 1.00 0.00 ATOM 848 CD1 LEU A 105 -12.831 38.590 52.612 1.00 0.00 ATOM 849 CD2 LEU A 105 -10.770 37.169 52.655 1.00 0.00 ATOM 850 O LEU A 105 -8.635 41.822 51.681 1.00 0.00 ATOM 851 C LEU A 105 -8.651 40.667 51.251 1.00 0.00 ATOM 852 N HIS A 106 -8.276 40.381 50.031 1.00 0.00 ATOM 853 CA HIS A 106 -7.840 41.430 49.120 1.00 0.00 ATOM 854 CB HIS A 106 -7.289 40.857 47.813 1.00 0.00 ATOM 855 CG HIS A 106 -5.972 40.161 47.964 1.00 0.00 ATOM 856 CD2 HIS A 106 -5.499 38.792 47.816 1.00 0.00 ATOM 857 ND1 HIS A 106 -4.820 40.822 48.328 1.00 0.00 ATOM 858 CE1 HIS A 106 -3.807 39.938 48.381 1.00 0.00 ATOM 859 NE2 HIS A 106 -4.207 38.719 48.076 1.00 0.00 ATOM 860 O HIS A 106 -10.173 41.753 48.738 1.00 0.00 ATOM 861 C HIS A 106 -9.054 42.269 48.788 1.00 0.00 ATOM 862 N PRO A 107 -8.859 43.557 48.523 1.00 0.00 ATOM 863 CA PRO A 107 -9.971 44.397 48.109 1.00 0.00 ATOM 864 CB PRO A 107 -9.398 45.815 48.145 1.00 0.00 ATOM 865 CG PRO A 107 -8.198 45.709 49.028 1.00 0.00 ATOM 866 CD PRO A 107 -7.646 44.328 48.816 1.00 0.00 ATOM 867 O PRO A 107 -9.773 43.443 45.910 1.00 0.00 ATOM 868 C PRO A 107 -10.492 44.046 46.709 1.00 0.00 ATOM 869 N LEU A 108 -11.760 44.386 46.435 1.00 0.00 ATOM 870 CA LEU A 108 -12.368 44.087 45.138 1.00 0.00 ATOM 871 CB LEU A 108 -13.705 45.168 45.223 1.00 0.00 ATOM 872 CG LEU A 108 -14.252 45.566 46.585 1.00 0.00 ATOM 873 CD1 LEU A 108 -15.157 46.744 46.413 1.00 0.00 ATOM 874 CD2 LEU A 108 -14.979 44.406 47.228 1.00 0.00 ATOM 875 O LEU A 108 -11.432 43.971 42.957 1.00 0.00 ATOM 876 C LEU A 108 -11.551 44.633 43.977 1.00 0.00 ATOM 877 N GLU A 109 -10.945 45.807 44.167 1.00 0.00 ATOM 878 CA GLU A 109 -10.118 46.367 43.082 1.00 0.00 ATOM 879 CB GLU A 109 -9.467 47.677 43.530 1.00 0.00 ATOM 880 CG GLU A 109 -10.437 48.840 43.659 1.00 0.00 ATOM 881 CD GLU A 109 -9.776 50.095 44.193 1.00 0.00 ATOM 882 OE1 GLU A 109 -8.573 50.035 44.528 1.00 0.00 ATOM 883 OE2 GLU A 109 -10.458 51.137 44.276 1.00 0.00 ATOM 884 O GLU A 109 -8.611 45.374 41.492 1.00 0.00 ATOM 885 C GLU A 109 -8.992 45.405 42.675 1.00 0.00 ATOM 886 N PRO A 110 -8.474 44.617 43.626 1.00 0.00 ATOM 887 CA PRO A 110 -7.432 43.627 43.311 1.00 0.00 ATOM 888 CB PRO A 110 -6.966 43.168 44.681 1.00 0.00 ATOM 889 CG PRO A 110 -7.075 44.412 45.483 1.00 0.00 ATOM 890 CD PRO A 110 -8.418 44.970 45.056 1.00 0.00 ATOM 891 O PRO A 110 -7.346 41.962 41.587 1.00 0.00 ATOM 892 C PRO A 110 -7.993 42.493 42.474 1.00 0.00 ATOM 893 N LEU A 111 -9.213 42.101 42.750 1.00 0.00 ATOM 894 CA LEU A 111 -9.830 41.063 41.960 1.00 0.00 ATOM 895 CB LEU A 111 -11.180 40.666 42.593 1.00 0.00 ATOM 896 CG LEU A 111 -12.035 39.672 41.802 1.00 0.00 ATOM 897 CD1 LEU A 111 -11.397 38.293 41.834 1.00 0.00 ATOM 898 CD2 LEU A 111 -13.432 39.608 42.405 1.00 0.00 ATOM 899 O LEU A 111 -9.747 40.776 39.577 1.00 0.00 ATOM 900 C LEU A 111 -9.999 41.532 40.515 1.00 0.00 ATOM 901 N LEU A 112 -10.387 42.794 40.354 1.00 0.00 ATOM 902 CA LEU A 112 -10.569 43.375 39.025 1.00 0.00 ATOM 903 CB LEU A 112 -11.107 44.806 39.088 1.00 0.00 ATOM 904 CG LEU A 112 -12.547 44.968 39.576 1.00 0.00 ATOM 905 CD1 LEU A 112 -12.887 46.438 39.770 1.00 0.00 ATOM 906 CD2 LEU A 112 -13.526 44.382 38.570 1.00 0.00 ATOM 907 O LEU A 112 -9.117 42.990 37.200 1.00 0.00 ATOM 908 C LEU A 112 -9.223 43.406 38.337 1.00 0.00 ATOM 909 N ASP A 113 -8.186 44.000 39.049 1.00 0.00 ATOM 910 CA ASP A 113 -6.851 44.123 38.425 1.00 0.00 ATOM 911 CB ASP A 113 -5.871 44.640 39.481 1.00 0.00 ATOM 912 CG ASP A 113 -6.061 46.114 39.782 1.00 0.00 ATOM 913 OD1 ASP A 113 -6.787 46.786 39.020 1.00 0.00 ATOM 914 OD2 ASP A 113 -5.486 46.595 40.780 1.00 0.00 ATOM 915 O ASP A 113 -5.659 42.721 36.904 1.00 0.00 ATOM 916 C ASP A 113 -6.259 42.814 37.977 1.00 0.00 ATOM 917 N THR A 114 -6.430 41.738 38.775 1.00 0.00 ATOM 918 CA THR A 114 -5.884 40.442 38.470 1.00 0.00 ATOM 919 CB THR A 114 -5.997 39.461 39.651 1.00 0.00 ATOM 920 CG2 THR A 114 -5.331 40.041 40.890 1.00 0.00 ATOM 921 OG1 THR A 114 -7.379 39.214 39.942 1.00 0.00 ATOM 922 O THR A 114 -5.936 38.850 36.625 1.00 0.00 ATOM 923 C THR A 114 -6.533 39.743 37.231 1.00 0.00 ATOM 924 N LYS A 115 -7.707 40.190 36.821 1.00 0.00 ATOM 925 CA LYS A 115 -8.303 39.763 35.538 1.00 0.00 ATOM 926 CB LYS A 115 -9.829 39.866 35.597 1.00 0.00 ATOM 927 CG LYS A 115 -10.477 38.926 36.599 1.00 0.00 ATOM 928 CD LYS A 115 -11.988 39.085 36.608 1.00 0.00 ATOM 929 CE LYS A 115 -12.633 38.184 37.648 1.00 0.00 ATOM 930 NZ LYS A 115 -14.116 38.310 37.650 1.00 0.00 ATOM 931 O LYS A 115 -8.394 40.356 33.223 1.00 0.00 ATOM 932 C LYS A 115 -7.870 40.580 34.315 1.00 0.00 ATOM 933 N CYS A 116 -6.942 41.523 34.502 1.00 0.00 ATOM 934 CA CYS A 116 -6.562 42.469 33.417 1.00 0.00 ATOM 935 CB CYS A 116 -6.014 41.706 32.209 1.00 0.00 ATOM 936 SG CYS A 116 -4.567 40.683 32.566 1.00 0.00 ATOM 937 O CYS A 116 -7.967 43.575 31.779 1.00 0.00 ATOM 938 C CYS A 116 -7.773 43.277 32.969 1.00 0.00 ATOM 939 N ASP A 117 -8.602 43.639 33.943 1.00 0.00 ATOM 940 CA ASP A 117 -9.798 44.425 33.686 1.00 0.00 ATOM 941 CB ASP A 117 -9.427 45.794 33.113 1.00 0.00 ATOM 942 CG ASP A 117 -8.641 46.643 34.094 1.00 0.00 ATOM 943 OD1 ASP A 117 -9.091 46.785 35.250 1.00 0.00 ATOM 944 OD2 ASP A 117 -7.574 47.165 33.704 1.00 0.00 ATOM 945 O ASP A 117 -11.394 44.462 31.890 1.00 0.00 ATOM 946 C ASP A 117 -10.753 43.772 32.691 1.00 0.00 ATOM 947 N ALA A 118 -10.669 42.388 32.864 1.00 0.00 ATOM 948 CA ALA A 118 -11.585 41.642 32.027 1.00 0.00 ATOM 949 CB ALA A 118 -11.338 40.149 32.171 1.00 0.00 ATOM 950 O ALA A 118 -13.923 42.017 31.608 1.00 0.00 ATOM 951 C ALA A 118 -13.034 41.946 32.437 1.00 0.00 ATOM 952 N TYR A 119 -13.250 42.128 33.740 1.00 0.00 ATOM 953 CA TYR A 119 -14.561 42.479 34.278 1.00 0.00 ATOM 954 CB TYR A 119 -15.025 43.828 33.725 1.00 0.00 ATOM 955 CG TYR A 119 -14.115 44.982 34.082 1.00 0.00 ATOM 956 CD1 TYR A 119 -13.386 44.972 35.265 1.00 0.00 ATOM 957 CD2 TYR A 119 -13.989 46.077 33.238 1.00 0.00 ATOM 958 CE1 TYR A 119 -12.553 46.022 35.601 1.00 0.00 ATOM 959 CE2 TYR A 119 -13.160 47.136 33.557 1.00 0.00 ATOM 960 CZ TYR A 119 -12.440 47.101 34.750 1.00 0.00 ATOM 961 OH TYR A 119 -11.611 48.148 35.081 1.00 0.00 ATOM 962 O TYR A 119 -16.818 41.872 33.690 1.00 0.00 ATOM 963 C TYR A 119 -15.679 41.486 33.960 1.00 0.00 ATOM 964 N LEU A 120 -15.341 40.201 33.957 1.00 0.00 ATOM 965 CA LEU A 120 -16.326 39.157 33.711 1.00 0.00 ATOM 966 CB LEU A 120 -15.633 37.838 33.367 1.00 0.00 ATOM 967 CG LEU A 120 -14.834 37.813 32.062 1.00 0.00 ATOM 968 CD1 LEU A 120 -14.117 36.482 31.896 1.00 0.00 ATOM 969 CD2 LEU A 120 -15.751 38.012 30.866 1.00 0.00 ATOM 970 O LEU A 120 -18.155 38.348 35.030 1.00 0.00 ATOM 971 C LEU A 120 -17.063 38.923 35.027 1.00 0.00 ATOM 972 N GLN A 121 -16.373 39.432 36.144 1.00 0.00 ATOM 973 CA GLN A 121 -17.003 39.248 37.453 1.00 0.00 ATOM 974 CB GLN A 121 -16.370 38.100 38.240 1.00 0.00 ATOM 975 CG GLN A 121 -16.603 36.727 37.630 1.00 0.00 ATOM 976 CD GLN A 121 -15.981 35.612 38.448 1.00 0.00 ATOM 977 OE1 GLN A 121 -15.212 35.865 39.377 1.00 0.00 ATOM 978 NE2 GLN A 121 -16.311 34.373 38.105 1.00 0.00 ATOM 979 O GLN A 121 -15.879 41.320 37.952 1.00 0.00 ATOM 980 C GLN A 121 -16.791 40.537 38.245 1.00 0.00 ATOM 981 N GLN A 122 -17.631 40.754 39.254 1.00 0.00 ATOM 982 CA GLN A 122 -17.521 41.944 40.096 1.00 0.00 ATOM 983 CB GLN A 122 -18.907 42.436 40.520 1.00 0.00 ATOM 984 CG GLN A 122 -19.814 42.813 39.359 1.00 0.00 ATOM 985 CD GLN A 122 -19.263 43.961 38.537 1.00 0.00 ATOM 986 OE1 GLN A 122 -18.980 45.035 39.067 1.00 0.00 ATOM 987 NE2 GLN A 122 -19.108 43.736 37.238 1.00 0.00 ATOM 988 O GLN A 122 -16.503 40.383 41.613 1.00 0.00 ATOM 989 C GLN A 122 -16.714 41.575 41.329 1.00 0.00 ATOM 990 N THR A 123 -16.286 42.595 42.073 1.00 0.00 ATOM 991 CA THR A 123 -15.505 42.392 43.286 1.00 0.00 ATOM 992 CB THR A 123 -15.094 43.731 43.925 1.00 0.00 ATOM 993 CG2 THR A 123 -14.236 44.539 42.962 1.00 0.00 ATOM 994 OG1 THR A 123 -16.267 44.490 44.248 1.00 0.00 ATOM 995 O THR A 123 -15.792 40.735 44.996 1.00 0.00 ATOM 996 C THR A 123 -16.321 41.612 44.302 1.00 0.00 ATOM 997 N ARG A 124 -17.615 41.921 44.389 1.00 0.00 ATOM 998 CA ARG A 124 -18.502 41.236 45.325 1.00 0.00 ATOM 999 CB ARG A 124 -19.845 42.036 45.450 1.00 0.00 ATOM 1000 CG ARG A 124 -20.643 41.489 46.653 1.00 0.00 ATOM 1001 CD ARG A 124 -22.081 41.962 46.656 1.00 0.00 ATOM 1002 NE ARG A 124 -22.755 41.639 47.919 1.00 0.00 ATOM 1003 CZ ARG A 124 -23.575 40.591 48.006 1.00 0.00 ATOM 1004 NH1 ARG A 124 -23.797 39.776 46.972 1.00 0.00 ATOM 1005 NH2 ARG A 124 -24.181 40.389 49.174 1.00 0.00 ATOM 1006 O ARG A 124 -18.783 38.931 45.876 1.00 0.00 ATOM 1007 C ARG A 124 -18.598 39.759 44.986 1.00 0.00 ATOM 1008 N GLU A 125 -13.146 39.223 44.764 1.00 0.00 ATOM 1009 CA GLU A 125 -12.527 38.051 45.330 1.00 0.00 ATOM 1010 CB GLU A 125 -11.431 38.449 46.319 1.00 0.00 ATOM 1011 CG GLU A 125 -10.680 37.272 46.919 1.00 0.00 ATOM 1012 CD GLU A 125 -9.563 37.706 47.849 1.00 0.00 ATOM 1013 OE1 GLU A 125 -9.365 38.929 48.010 1.00 0.00 ATOM 1014 OE2 GLU A 125 -8.887 36.823 48.418 1.00 0.00 ATOM 1015 O GLU A 125 -13.532 35.941 45.909 1.00 0.00 ATOM 1016 C GLU A 125 -13.541 37.180 46.072 1.00 0.00 ATOM 1017 N LEU A 126 -14.403 37.809 46.882 1.00 0.00 ATOM 1018 CA LEU A 126 -15.361 37.055 47.707 1.00 0.00 ATOM 1019 CB LEU A 126 -16.172 37.939 48.604 1.00 0.00 ATOM 1020 CG LEU A 126 -15.419 38.524 49.805 1.00 0.00 ATOM 1021 CD1 LEU A 126 -16.339 39.431 50.604 1.00 0.00 ATOM 1022 CD2 LEU A 126 -14.908 37.386 50.688 1.00 0.00 ATOM 1023 O LEU A 126 -16.623 35.155 46.948 1.00 0.00 ATOM 1024 C LEU A 126 -16.313 36.325 46.745 1.00 0.00 ATOM 1025 N VAL A 127 -16.747 36.999 45.702 1.00 0.00 ATOM 1026 CA VAL A 127 -17.665 36.395 44.720 1.00 0.00 ATOM 1027 CB VAL A 127 -18.220 37.457 43.736 1.00 0.00 ATOM 1028 CG1 VAL A 127 -17.222 37.754 42.630 1.00 0.00 ATOM 1029 CG2 VAL A 127 -19.550 36.989 43.175 1.00 0.00 ATOM 1030 O VAL A 127 -17.621 34.256 43.596 1.00 0.00 ATOM 1031 C VAL A 127 -17.006 35.289 43.886 1.00 0.00 ATOM 1032 N ILE A 128 -15.735 35.456 43.548 1.00 0.00 ATOM 1033 CA ILE A 128 -15.001 34.398 42.855 1.00 0.00 ATOM 1034 CB ILE A 128 -13.619 34.721 42.462 1.00 0.00 ATOM 1035 CG1 ILE A 128 -13.130 33.671 41.459 1.00 0.00 ATOM 1036 CG2 ILE A 128 -12.684 34.825 43.647 1.00 0.00 ATOM 1037 CD1 ILE A 128 -13.894 33.700 40.149 1.00 0.00 ATOM 1038 O ILE A 128 -14.968 32.021 43.316 1.00 0.00 ATOM 1039 C ILE A 128 -14.828 33.182 43.768 1.00 0.00 ATOM 1040 N LEU A 129 -14.524 33.437 45.040 1.00 0.00 ATOM 1041 CA LEU A 129 -14.369 32.335 46.017 1.00 0.00 ATOM 1042 CB LEU A 129 -13.894 32.878 47.365 1.00 0.00 ATOM 1043 CG LEU A 129 -12.466 33.428 47.409 1.00 0.00 ATOM 1044 CD1 LEU A 129 -12.189 34.094 48.749 1.00 0.00 ATOM 1045 CD2 LEU A 129 -11.453 32.311 47.214 1.00 0.00 ATOM 1046 O LEU A 129 -15.787 30.393 46.302 1.00 0.00 ATOM 1047 C LEU A 129 -15.719 31.632 46.203 1.00 0.00 ATOM 1048 N GLU A 130 -16.807 32.394 46.233 1.00 0.00 ATOM 1049 CA GLU A 130 -18.132 31.778 46.296 1.00 0.00 ATOM 1050 CB GLU A 130 -19.225 32.842 46.169 1.00 0.00 ATOM 1051 CG GLU A 130 -20.638 32.291 46.251 1.00 0.00 ATOM 1052 CD GLU A 130 -21.692 33.378 46.163 1.00 0.00 ATOM 1053 OE1 GLU A 130 -21.316 34.565 46.071 1.00 0.00 ATOM 1054 OE2 GLU A 130 -22.895 33.042 46.185 1.00 0.00 ATOM 1055 O GLU A 130 -18.756 29.619 45.396 1.00 0.00 ATOM 1056 C GLU A 130 -18.306 30.761 45.154 1.00 0.00 ATOM 1057 N THR A 131 -18.011 31.192 43.922 1.00 0.00 ATOM 1058 CA THR A 131 -18.080 30.337 42.738 1.00 0.00 ATOM 1059 CB THR A 131 -17.562 31.066 41.484 1.00 0.00 ATOM 1060 CG2 THR A 131 -17.623 30.150 40.271 1.00 0.00 ATOM 1061 OG1 THR A 131 -18.371 32.222 41.233 1.00 0.00 ATOM 1062 O THR A 131 -17.649 27.929 42.660 1.00 0.00 ATOM 1063 C THR A 131 -17.218 29.078 42.941 1.00 0.00 ATOM 1064 N ILE A 132 -15.987 29.278 43.432 1.00 0.00 ATOM 1065 CA ILE A 132 -15.072 28.147 43.615 1.00 0.00 ATOM 1066 CB ILE A 132 -13.619 28.579 43.970 1.00 0.00 ATOM 1067 CG1 ILE A 132 -12.643 27.427 43.729 1.00 0.00 ATOM 1068 CG2 ILE A 132 -13.501 29.141 45.352 1.00 0.00 ATOM 1069 CD1 ILE A 132 -11.168 27.794 43.913 1.00 0.00 ATOM 1070 O ILE A 132 -15.514 25.967 44.516 1.00 0.00 ATOM 1071 C ILE A 132 -15.592 27.164 44.685 1.00 0.00 ATOM 1072 N MET A 133 -16.110 27.687 45.784 1.00 0.00 ATOM 1073 CA MET A 133 -16.651 26.833 46.862 1.00 0.00 ATOM 1074 CB MET A 133 -17.119 27.690 48.040 1.00 0.00 ATOM 1075 CG MET A 133 -17.633 26.888 49.225 1.00 0.00 ATOM 1076 SD MET A 133 -16.350 25.879 49.992 1.00 0.00 ATOM 1077 CE MET A 133 -15.414 27.130 50.867 1.00 0.00 ATOM 1078 O MET A 133 -17.918 24.814 46.540 1.00 0.00 ATOM 1079 C MET A 133 -17.814 26.017 46.294 1.00 0.00 ATOM 1080 N LEU A 134 -18.715 26.669 45.519 1.00 0.00 ATOM 1081 CA LEU A 134 -19.859 25.982 44.928 1.00 0.00 ATOM 1082 CB LEU A 134 -20.697 26.944 44.082 1.00 0.00 ATOM 1083 CG LEU A 134 -21.511 27.989 44.850 1.00 0.00 ATOM 1084 CD1 LEU A 134 -22.145 28.984 43.892 1.00 0.00 ATOM 1085 CD2 LEU A 134 -22.620 27.323 45.649 1.00 0.00 ATOM 1086 O LEU A 134 -19.941 23.815 43.920 1.00 0.00 ATOM 1087 C LEU A 134 -19.382 24.896 43.973 1.00 0.00 ATOM 1088 N GLN A 135 -18.329 25.182 43.212 1.00 0.00 ATOM 1089 CA GLN A 135 -17.768 24.193 42.305 1.00 0.00 ATOM 1090 CB GLN A 135 -16.615 24.786 41.493 1.00 0.00 ATOM 1091 CG GLN A 135 -17.043 25.844 40.489 1.00 0.00 ATOM 1092 CD GLN A 135 -15.866 26.503 39.798 1.00 0.00 ATOM 1093 OE1 GLN A 135 -14.711 26.226 40.121 1.00 0.00 ATOM 1094 NE2 GLN A 135 -16.156 27.377 38.842 1.00 0.00 ATOM 1095 O GLN A 135 -17.422 21.848 42.652 1.00 0.00 ATOM 1096 C GLN A 135 -17.155 22.993 43.017 1.00 0.00 ATOM 1097 N THR A 136 -16.352 23.230 44.030 1.00 0.00 ATOM 1098 CA THR A 136 -15.739 22.126 44.753 1.00 0.00 ATOM 1099 CB THR A 136 -14.699 22.739 45.681 1.00 0.00 ATOM 1100 CG2 THR A 136 -14.060 21.664 46.554 1.00 0.00 ATOM 1101 OG1 THR A 136 -13.687 23.377 44.876 1.00 0.00 ATOM 1102 O THR A 136 -16.651 20.016 45.650 1.00 0.00 ATOM 1103 C THR A 136 -16.766 21.266 45.553 1.00 0.00 ATOM 1104 N LEU A 137 -17.793 21.916 46.096 1.00 0.00 ATOM 1105 CA LEU A 137 -18.834 21.257 46.898 1.00 0.00 ATOM 1106 CB LEU A 137 -19.540 22.269 47.802 1.00 0.00 ATOM 1107 CG LEU A 137 -18.682 22.920 48.890 1.00 0.00 ATOM 1108 CD1 LEU A 137 -19.482 23.970 49.647 1.00 0.00 ATOM 1109 CD2 LEU A 137 -18.200 21.879 49.889 1.00 0.00 ATOM 1110 O LEU A 137 -20.677 19.805 46.331 1.00 0.00 ATOM 1111 C LEU A 137 -19.843 20.639 45.941 1.00 0.00 ATOM 1112 N GLY A 138 -19.804 21.018 44.588 1.00 0.00 ATOM 1113 CA GLY A 138 -20.788 20.560 43.622 1.00 0.00 ATOM 1114 O GLY A 138 -23.108 20.522 43.421 1.00 0.00 ATOM 1115 C GLY A 138 -22.146 21.160 43.822 1.00 0.00 ATOM 1116 N PHE A 139 -22.296 22.280 44.574 1.00 0.00 ATOM 1117 CA PHE A 139 -23.538 22.829 45.040 1.00 0.00 ATOM 1118 CB PHE A 139 -24.482 23.039 43.854 1.00 0.00 ATOM 1119 CG PHE A 139 -23.887 23.860 42.745 1.00 0.00 ATOM 1120 CD1 PHE A 139 -23.450 23.258 41.578 1.00 0.00 ATOM 1121 CD2 PHE A 139 -23.768 25.233 42.869 1.00 0.00 ATOM 1122 CE1 PHE A 139 -22.903 24.013 40.559 1.00 0.00 ATOM 1123 CE2 PHE A 139 -23.221 25.988 41.849 1.00 0.00 ATOM 1124 CZ PHE A 139 -22.790 25.384 40.697 1.00 0.00 ATOM 1125 O PHE A 139 -25.500 22.306 46.334 1.00 0.00 ATOM 1126 C PHE A 139 -24.309 22.009 46.079 1.00 0.00 ATOM 1127 N GLU A 140 -23.658 21.053 46.749 1.00 0.00 ATOM 1128 CA GLU A 140 -24.296 20.188 47.693 1.00 0.00 ATOM 1129 CB GLU A 140 -23.631 18.810 47.693 1.00 0.00 ATOM 1130 CG GLU A 140 -23.693 18.091 46.355 1.00 0.00 ATOM 1131 CD GLU A 140 -22.938 16.777 46.364 1.00 0.00 ATOM 1132 OE1 GLU A 140 -22.311 16.459 47.397 1.00 0.00 ATOM 1133 OE2 GLU A 140 -22.971 16.066 45.338 1.00 0.00 ATOM 1134 O GLU A 140 -23.369 20.373 49.941 1.00 0.00 ATOM 1135 C GLU A 140 -24.190 20.791 49.108 1.00 0.00 ATOM 1136 N ILE A 141 -25.038 21.778 49.385 1.00 0.00 ATOM 1137 CA ILE A 141 -24.952 22.587 50.597 1.00 0.00 ATOM 1138 CB ILE A 141 -25.237 24.072 50.305 1.00 0.00 ATOM 1139 CG1 ILE A 141 -26.672 24.251 49.801 1.00 0.00 ATOM 1140 CG2 ILE A 141 -24.284 24.598 49.242 1.00 0.00 ATOM 1141 CD1 ILE A 141 -27.106 25.696 49.696 1.00 0.00 ATOM 1142 O ILE A 141 -25.829 22.690 52.824 1.00 0.00 ATOM 1143 C ILE A 141 -25.925 22.193 51.694 1.00 0.00 ATOM 1144 N THR A 142 -26.867 21.271 51.409 1.00 0.00 ATOM 1145 CA THR A 142 -27.869 20.908 52.386 1.00 0.00 ATOM 1146 CB THR A 142 -29.160 20.407 51.712 1.00 0.00 ATOM 1147 CG2 THR A 142 -29.866 21.550 51.000 1.00 0.00 ATOM 1148 OG1 THR A 142 -28.840 19.390 50.753 1.00 0.00 ATOM 1149 O THR A 142 -27.857 18.665 53.315 1.00 0.00 ATOM 1150 C THR A 142 -27.372 19.790 53.308 1.00 0.00 ATOM 1151 N ILE A 143 -26.289 20.085 53.990 1.00 0.00 ATOM 1152 CA ILE A 143 -25.603 19.092 54.816 1.00 0.00 ATOM 1153 CB ILE A 143 -24.124 19.464 55.036 1.00 0.00 ATOM 1154 CG1 ILE A 143 -23.354 19.389 53.717 1.00 0.00 ATOM 1155 CG2 ILE A 143 -23.478 18.511 56.029 1.00 0.00 ATOM 1156 CD1 ILE A 143 -21.977 20.014 53.778 1.00 0.00 ATOM 1157 O ILE A 143 -26.638 19.945 56.795 1.00 0.00 ATOM 1158 C ILE A 143 -26.233 18.956 56.200 1.00 0.00 ATOM 1159 N GLU A 144 -26.205 17.717 56.709 1.00 0.00 ATOM 1160 CA GLU A 144 -26.642 17.468 58.086 1.00 0.00 ATOM 1161 CB GLU A 144 -26.820 15.968 58.328 1.00 0.00 ATOM 1162 CG GLU A 144 -27.365 15.623 59.705 1.00 0.00 ATOM 1163 CD GLU A 144 -27.581 14.134 59.889 1.00 0.00 ATOM 1164 OE1 GLU A 144 -27.291 13.370 58.944 1.00 0.00 ATOM 1165 OE2 GLU A 144 -28.038 13.731 60.979 1.00 0.00 ATOM 1166 O GLU A 144 -24.385 18.035 58.745 1.00 0.00 ATOM 1167 C GLU A 144 -25.555 18.032 59.058 1.00 0.00 ATOM 1168 N HIS A 145 -26.023 18.565 60.167 1.00 0.00 ATOM 1169 CA HIS A 145 -25.171 19.126 61.219 1.00 0.00 ATOM 1170 CB HIS A 145 -25.404 20.632 61.350 1.00 0.00 ATOM 1171 CG HIS A 145 -25.067 21.407 60.113 1.00 0.00 ATOM 1172 CD2 HIS A 145 -25.821 21.971 59.004 1.00 0.00 ATOM 1173 ND1 HIS A 145 -23.775 21.759 59.786 1.00 0.00 ATOM 1174 CE1 HIS A 145 -23.788 22.442 58.627 1.00 0.00 ATOM 1175 NE2 HIS A 145 -25.012 22.573 58.153 1.00 0.00 ATOM 1176 O HIS A 145 -26.541 17.863 62.843 1.00 0.00 ATOM 1177 C HIS A 145 -25.463 18.482 62.591 1.00 0.00 ATOM 1178 N PRO A 146 -24.555 18.682 63.532 1.00 0.00 ATOM 1179 CA PRO A 146 -24.805 18.355 64.916 1.00 0.00 ATOM 1180 CB PRO A 146 -23.574 18.888 65.651 1.00 0.00 ATOM 1181 CG PRO A 146 -22.474 18.803 64.646 1.00 0.00 ATOM 1182 CD PRO A 146 -23.081 19.199 63.330 1.00 0.00 ATOM 1183 O PRO A 146 -26.875 18.422 66.159 1.00 0.00 ATOM 1184 C PRO A 146 -26.090 19.017 65.438 1.00 0.00 ATOM 1185 N HIS A 147 -26.280 20.260 65.037 1.00 0.00 ATOM 1186 CA HIS A 147 -27.442 21.044 65.473 1.00 0.00 ATOM 1187 CB HIS A 147 -27.382 22.460 64.896 1.00 0.00 ATOM 1188 CG HIS A 147 -28.523 23.333 65.316 1.00 0.00 ATOM 1189 CD2 HIS A 147 -28.808 24.189 66.458 1.00 0.00 ATOM 1190 ND1 HIS A 147 -29.664 23.482 64.558 1.00 0.00 ATOM 1191 CE1 HIS A 147 -30.502 24.323 65.192 1.00 0.00 ATOM 1192 NE2 HIS A 147 -29.995 24.751 66.332 1.00 0.00 ATOM 1193 O HIS A 147 -29.758 20.449 65.705 1.00 0.00 ATOM 1194 C HIS A 147 -28.756 20.432 64.987 1.00 0.00 ATOM 1195 N THR A 148 -28.764 19.879 63.781 1.00 0.00 ATOM 1196 CA THR A 148 -29.976 19.259 63.257 1.00 0.00 ATOM 1197 CB THR A 148 -29.799 18.821 61.791 1.00 0.00 ATOM 1198 CG2 THR A 148 -31.051 18.116 61.292 1.00 0.00 ATOM 1199 OG1 THR A 148 -29.557 19.972 60.972 1.00 0.00 ATOM 1200 O THR A 148 -31.525 17.965 64.572 1.00 0.00 ATOM 1201 C THR A 148 -30.369 18.091 64.162 1.00 0.00 ATOM 1202 N ASP A 149 -29.428 17.277 64.482 1.00 0.00 ATOM 1203 CA ASP A 149 -29.648 16.123 65.341 1.00 0.00 ATOM 1204 CB ASP A 149 -28.439 15.187 65.395 1.00 0.00 ATOM 1205 CG ASP A 149 -28.212 14.453 64.088 1.00 0.00 ATOM 1206 OD1 ASP A 149 -29.128 14.454 63.240 1.00 0.00 ATOM 1207 OD2 ASP A 149 -27.117 13.877 63.913 1.00 0.00 ATOM 1208 O ASP A 149 -30.831 15.845 67.406 1.00 0.00 ATOM 1209 C ASP A 149 -29.986 16.482 66.780 1.00 0.00 ATOM 1210 N VAL A 150 -29.298 17.497 67.285 1.00 0.00 ATOM 1211 CA VAL A 150 -29.530 17.934 68.652 1.00 0.00 ATOM 1212 CB VAL A 150 -28.614 19.044 69.143 1.00 0.00 ATOM 1213 CG1 VAL A 150 -28.952 19.556 70.522 1.00 0.00 ATOM 1214 CG2 VAL A 150 -27.157 18.562 69.056 1.00 0.00 ATOM 1215 O VAL A 150 -31.619 17.946 69.849 1.00 0.00 ATOM 1216 C VAL A 150 -31.005 18.338 68.879 1.00 0.00 ATOM 1217 N VAL A 151 -31.537 19.181 68.009 1.00 0.00 ATOM 1218 CA VAL A 151 -32.881 19.715 68.202 1.00 0.00 ATOM 1219 CB VAL A 151 -33.284 20.657 67.053 1.00 0.00 ATOM 1220 CG1 VAL A 151 -34.751 21.042 67.169 1.00 0.00 ATOM 1221 CG2 VAL A 151 -32.449 21.929 67.088 1.00 0.00 ATOM 1222 O VAL A 151 -34.766 18.567 69.140 1.00 0.00 ATOM 1223 C VAL A 151 -33.866 18.570 68.292 1.00 0.00 ATOM 1224 N LYS A 152 -33.716 17.552 67.427 1.00 0.00 ATOM 1225 CA LYS A 152 -34.587 16.381 67.436 1.00 0.00 ATOM 1226 CB LYS A 152 -34.319 15.532 66.190 1.00 0.00 ATOM 1227 CG LYS A 152 -34.708 16.208 64.886 1.00 0.00 ATOM 1228 CD LYS A 152 -34.471 15.291 63.698 1.00 0.00 ATOM 1229 CE LYS A 152 -34.842 15.973 62.390 1.00 0.00 ATOM 1230 NZ LYS A 152 -34.600 15.091 61.215 1.00 0.00 ATOM 1231 O LYS A 152 -35.307 15.076 69.343 1.00 0.00 ATOM 1232 C LYS A 152 -34.362 15.513 68.692 1.00 0.00 ATOM 1233 N CYS A 153 -33.095 15.310 69.047 1.00 0.00 ATOM 1234 CA CYS A 153 -32.746 14.540 70.207 1.00 0.00 ATOM 1235 CB CYS A 153 -31.225 14.467 70.364 1.00 0.00 ATOM 1236 SG CYS A 153 -30.381 13.554 69.050 1.00 0.00 ATOM 1237 O CYS A 153 -33.534 14.405 72.452 1.00 0.00 ATOM 1238 C CYS A 153 -33.316 15.129 71.479 1.00 0.00 ATOM 1239 N THR A 154 -33.566 16.438 71.477 1.00 0.00 ATOM 1240 CA THR A 154 -34.148 17.072 72.656 1.00 0.00 ATOM 1241 CB THR A 154 -34.233 18.601 72.490 1.00 0.00 ATOM 1242 CG2 THR A 154 -34.866 19.236 73.719 1.00 0.00 ATOM 1243 OG1 THR A 154 -32.915 19.140 72.317 1.00 0.00 ATOM 1244 O THR A 154 -35.973 16.177 73.961 1.00 0.00 ATOM 1245 C THR A 154 -35.557 16.510 72.844 1.00 0.00 ATOM 1246 N GLN A 155 -36.285 16.388 71.745 1.00 0.00 ATOM 1247 CA GLN A 155 -37.637 15.833 71.816 1.00 0.00 ATOM 1248 CB GLN A 155 -38.322 15.909 70.450 1.00 0.00 ATOM 1249 CG GLN A 155 -38.700 17.318 70.024 1.00 0.00 ATOM 1250 CD GLN A 155 -39.305 17.363 68.634 1.00 0.00 ATOM 1251 OE1 GLN A 155 -39.409 16.339 67.958 1.00 0.00 ATOM 1252 NE2 GLN A 155 -39.705 18.553 68.203 1.00 0.00 ATOM 1253 O GLN A 155 -38.455 13.890 72.976 1.00 0.00 ATOM 1254 C GLN A 155 -37.575 14.375 72.261 1.00 0.00 ATOM 1255 N LEU A 156 -36.523 13.668 71.864 1.00 0.00 ATOM 1256 CA LEU A 156 -36.393 12.273 72.274 1.00 0.00 ATOM 1257 CB LEU A 156 -35.165 11.635 71.621 1.00 0.00 ATOM 1258 CG LEU A 156 -34.926 10.155 71.926 1.00 0.00 ATOM 1259 CD1 LEU A 156 -36.099 9.311 71.452 1.00 0.00 ATOM 1260 CD2 LEU A 156 -33.671 9.658 71.226 1.00 0.00 ATOM 1261 O LEU A 156 -36.800 11.311 74.425 1.00 0.00 ATOM 1262 C LEU A 156 -36.239 12.192 73.792 1.00 0.00 ATOM 1263 N VAL A 157 -35.451 13.077 74.377 1.00 0.00 ATOM 1264 CA VAL A 157 -35.253 13.104 75.827 1.00 0.00 ATOM 1265 CB VAL A 157 -34.317 14.254 76.246 1.00 0.00 ATOM 1266 CG1 VAL A 157 -34.289 14.392 77.761 1.00 0.00 ATOM 1267 CG2 VAL A 157 -32.900 13.992 75.761 1.00 0.00 ATOM 1268 O VAL A 157 -36.892 12.624 77.528 1.00 0.00 ATOM 1269 C VAL A 157 -36.592 13.302 76.535 1.00 0.00 ATOM 1270 N ARG A 158 -37.387 14.244 76.037 1.00 0.00 ATOM 1271 CA ARG A 158 -38.693 14.518 76.613 1.00 0.00 ATOM 1272 CB ARG A 158 -39.366 13.217 77.055 1.00 0.00 ATOM 1273 CG ARG A 158 -39.657 12.250 75.919 1.00 0.00 ATOM 1274 CD ARG A 158 -40.447 11.047 76.406 1.00 0.00 ATOM 1275 NE ARG A 158 -39.703 10.264 77.389 1.00 0.00 ATOM 1276 CZ ARG A 158 -40.190 9.205 78.025 1.00 0.00 ATOM 1277 NH1 ARG A 158 -39.439 8.554 78.903 1.00 0.00 ATOM 1278 NH2 ARG A 158 -41.430 8.799 77.784 1.00 0.00 ATOM 1279 O ARG A 158 -39.768 15.746 78.346 1.00 0.00 ATOM 1280 C ARG A 158 -38.694 15.418 77.834 1.00 0.00 ATOM 1281 N ALA A 159 -37.508 15.817 78.307 1.00 0.00 ATOM 1282 CA ALA A 159 -37.412 16.711 79.468 1.00 0.00 ATOM 1283 CB ALA A 159 -35.967 16.725 79.979 1.00 0.00 ATOM 1284 O ALA A 159 -37.726 18.565 77.963 1.00 0.00 ATOM 1285 C ALA A 159 -37.925 18.090 79.092 1.00 0.00 ATOM 1286 N SER A 160 -35.790 18.717 78.485 1.00 0.00 ATOM 1287 CA SER A 160 -35.032 19.389 79.501 1.00 0.00 ATOM 1288 CB SER A 160 -34.194 18.386 80.298 1.00 0.00 ATOM 1289 OG SER A 160 -33.445 19.035 81.309 1.00 0.00 ATOM 1290 O SER A 160 -33.338 19.966 77.940 1.00 0.00 ATOM 1291 C SER A 160 -34.145 20.365 78.786 1.00 0.00 ATOM 1292 N LYS A 161 -34.344 21.650 79.088 1.00 0.00 ATOM 1293 CA LYS A 161 -33.657 22.726 78.422 1.00 0.00 ATOM 1294 CB LYS A 161 -34.108 24.077 78.981 1.00 0.00 ATOM 1295 CG LYS A 161 -35.531 24.460 78.607 1.00 0.00 ATOM 1296 CD LYS A 161 -35.911 25.810 79.191 1.00 0.00 ATOM 1297 CE LYS A 161 -37.342 26.180 78.839 1.00 0.00 ATOM 1298 NZ LYS A 161 -37.740 27.487 79.432 1.00 0.00 ATOM 1299 O LYS A 161 -31.369 22.875 77.663 1.00 0.00 ATOM 1300 C LYS A 161 -32.145 22.618 78.602 1.00 0.00 ATOM 1301 N ASP A 162 -31.715 22.249 79.821 1.00 0.00 ATOM 1302 CA ASP A 162 -30.289 22.084 80.106 1.00 0.00 ATOM 1303 CB ASP A 162 -30.114 21.765 81.593 1.00 0.00 ATOM 1304 CG ASP A 162 -30.364 22.968 82.479 1.00 0.00 ATOM 1305 OD1 ASP A 162 -30.431 24.095 81.948 1.00 0.00 ATOM 1306 OD2 ASP A 162 -30.495 22.783 83.709 1.00 0.00 ATOM 1307 O ASP A 162 -28.547 21.083 78.789 1.00 0.00 ATOM 1308 C ASP A 162 -29.653 20.962 79.322 1.00 0.00 ATOM 1309 N LEU A 163 -30.334 19.853 79.219 1.00 0.00 ATOM 1310 CA LEU A 163 -29.837 18.775 78.363 1.00 0.00 ATOM 1311 CB LEU A 163 -30.811 17.596 78.367 1.00 0.00 ATOM 1312 CG LEU A 163 -30.900 16.793 79.667 1.00 0.00 ATOM 1313 CD1 LEU A 163 -32.035 15.781 79.598 1.00 0.00 ATOM 1314 CD2 LEU A 163 -29.604 16.040 79.923 1.00 0.00 ATOM 1315 O LEU A 163 -28.621 19.008 76.306 1.00 0.00 ATOM 1316 C LEU A 163 -29.660 19.240 76.906 1.00 0.00 ATOM 1317 N ALA A 164 -30.670 19.920 76.346 1.00 0.00 ATOM 1318 CA ALA A 164 -30.576 20.391 74.975 1.00 0.00 ATOM 1319 CB ALA A 164 -31.843 21.134 74.579 1.00 0.00 ATOM 1320 O ALA A 164 -28.671 21.259 73.803 1.00 0.00 ATOM 1321 C ALA A 164 -29.432 21.377 74.767 1.00 0.00 ATOM 1322 N GLN A 165 -29.329 22.344 75.659 1.00 0.00 ATOM 1323 CA GLN A 165 -28.281 23.346 75.547 1.00 0.00 ATOM 1324 CB GLN A 165 -28.462 24.424 76.594 1.00 0.00 ATOM 1325 CG GLN A 165 -29.715 25.265 76.298 1.00 0.00 ATOM 1326 CD GLN A 165 -29.936 26.409 77.271 1.00 0.00 ATOM 1327 OE1 GLN A 165 -28.986 27.017 77.757 1.00 0.00 ATOM 1328 NE2 GLN A 165 -31.202 26.725 77.540 1.00 0.00 ATOM 1329 O GLN A 165 -25.957 23.036 74.971 1.00 0.00 ATOM 1330 C GLN A 165 -26.889 22.691 75.691 1.00 0.00 ATOM 1331 N THR A 166 -26.766 21.732 76.596 1.00 0.00 ATOM 1332 CA THR A 166 -25.471 21.037 76.840 1.00 0.00 ATOM 1333 CB THR A 166 -25.525 20.175 78.115 1.00 0.00 ATOM 1334 CG2 THR A 166 -24.204 19.451 78.325 1.00 0.00 ATOM 1335 OG1 THR A 166 -25.782 21.012 79.250 1.00 0.00 ATOM 1336 O THR A 166 -23.965 20.108 75.262 1.00 0.00 ATOM 1337 C THR A 166 -25.106 20.132 75.701 1.00 0.00 ATOM 1338 N SER A 167 -26.099 19.469 75.122 1.00 0.00 ATOM 1339 CA SER A 167 -25.842 18.694 73.913 1.00 0.00 ATOM 1340 CB SER A 167 -27.113 17.974 73.457 1.00 0.00 ATOM 1341 OG SER A 167 -27.508 16.992 74.398 1.00 0.00 ATOM 1342 O SER A 167 -24.483 19.188 71.980 1.00 0.00 ATOM 1343 C SER A 167 -25.376 19.569 72.733 1.00 0.00 ATOM 1344 N TYR A 168 -26.001 20.721 72.569 1.00 0.00 ATOM 1345 CA TYR A 168 -25.599 21.699 71.579 1.00 0.00 ATOM 1346 CB TYR A 168 -26.503 22.931 71.648 1.00 0.00 ATOM 1347 CG TYR A 168 -27.879 22.715 71.058 1.00 0.00 ATOM 1348 CD1 TYR A 168 -28.989 22.562 71.880 1.00 0.00 ATOM 1349 CD2 TYR A 168 -28.062 22.663 69.682 1.00 0.00 ATOM 1350 CE1 TYR A 168 -30.249 22.365 71.349 1.00 0.00 ATOM 1351 CE2 TYR A 168 -29.316 22.467 69.135 1.00 0.00 ATOM 1352 CZ TYR A 168 -30.413 22.317 69.981 1.00 0.00 ATOM 1353 OH TYR A 168 -31.667 22.119 69.451 1.00 0.00 ATOM 1354 O TYR A 168 -23.372 22.272 70.825 1.00 0.00 ATOM 1355 C TYR A 168 -24.156 22.183 71.782 1.00 0.00 ATOM 1356 N PHE A 169 -23.813 22.457 73.043 1.00 0.00 ATOM 1357 CA PHE A 169 -22.452 22.874 73.442 1.00 0.00 ATOM 1358 CB PHE A 169 -22.374 23.065 74.958 1.00 0.00 ATOM 1359 CG PHE A 169 -21.009 23.451 75.450 1.00 0.00 ATOM 1360 CD1 PHE A 169 -20.564 24.758 75.347 1.00 0.00 ATOM 1361 CD2 PHE A 169 -20.167 22.509 76.017 1.00 0.00 ATOM 1362 CE1 PHE A 169 -19.307 25.114 75.799 1.00 0.00 ATOM 1363 CE2 PHE A 169 -18.911 22.864 76.469 1.00 0.00 ATOM 1364 CZ PHE A 169 -18.480 24.160 76.362 1.00 0.00 ATOM 1365 O PHE A 169 -20.398 22.148 72.423 1.00 0.00 ATOM 1366 C PHE A 169 -21.405 21.832 73.052 1.00 0.00 ATOM 1367 N MET A 170 -21.649 20.596 73.415 1.00 0.00 ATOM 1368 CA MET A 170 -20.731 19.504 73.108 1.00 0.00 ATOM 1369 CB MET A 170 -21.178 18.192 73.755 1.00 0.00 ATOM 1370 CG MET A 170 -21.096 18.188 75.273 1.00 0.00 ATOM 1371 SD MET A 170 -19.418 18.448 75.880 1.00 0.00 ATOM 1372 CE MET A 170 -18.633 16.921 75.369 1.00 0.00 ATOM 1373 O MET A 170 -19.491 18.975 71.112 1.00 0.00 ATOM 1374 C MET A 170 -20.589 19.237 71.603 1.00 0.00 ATOM 1375 N ALA A 171 -21.698 19.281 70.872 1.00 0.00 ATOM 1376 CA ALA A 171 -21.668 19.111 69.417 1.00 0.00 ATOM 1377 CB ALA A 171 -23.086 19.172 68.874 1.00 0.00 ATOM 1378 O ALA A 171 -20.140 20.026 67.805 1.00 0.00 ATOM 1379 C ALA A 171 -20.863 20.233 68.768 1.00 0.00 ATOM 1380 N THR A 172 -20.975 21.417 69.340 1.00 0.00 ATOM 1381 CA THR A 172 -20.203 22.560 68.843 1.00 0.00 ATOM 1382 CB THR A 172 -20.675 23.888 69.466 1.00 0.00 ATOM 1383 CG2 THR A 172 -19.869 25.053 68.912 1.00 0.00 ATOM 1384 OG1 THR A 172 -22.059 24.096 69.161 1.00 0.00 ATOM 1385 O THR A 172 -17.889 22.730 68.281 1.00 0.00 ATOM 1386 C THR A 172 -18.710 22.418 69.121 1.00 0.00 ATOM 1387 N ASN A 173 -18.357 21.894 70.288 1.00 0.00 ATOM 1388 CA ASN A 173 -16.944 21.684 70.613 1.00 0.00 ATOM 1389 CB ASN A 173 -16.803 21.057 72.002 1.00 0.00 ATOM 1390 CG ASN A 173 -17.103 22.037 73.118 1.00 0.00 ATOM 1391 ND2 ASN A 173 -17.404 21.513 74.300 1.00 0.00 ATOM 1392 OD1 ASN A 173 -17.061 23.251 72.918 1.00 0.00 ATOM 1393 O ASN A 173 -15.097 20.894 69.288 1.00 0.00 ATOM 1394 C ASN A 173 -16.285 20.748 69.593 1.00 0.00 ATOM 1395 N SER A 174 -17.037 19.759 69.101 1.00 0.00 ATOM 1396 CA SER A 174 -16.489 18.856 68.103 1.00 0.00 ATOM 1397 CB SER A 174 -17.534 17.818 67.688 1.00 0.00 ATOM 1398 OG SER A 174 -17.872 16.973 68.774 1.00 0.00 ATOM 1399 O SER A 174 -15.146 18.980 66.151 1.00 0.00 ATOM 1400 C SER A 174 -16.028 19.514 66.823 1.00 0.00 ATOM 1401 N LEU A 175 -16.557 20.688 66.500 1.00 0.00 ATOM 1402 CA LEU A 175 -16.171 21.418 65.281 1.00 0.00 ATOM 1403 CB LEU A 175 -17.146 22.620 65.089 1.00 0.00 ATOM 1404 CG LEU A 175 -18.650 22.319 64.922 1.00 0.00 ATOM 1405 CD1 LEU A 175 -19.371 23.652 64.639 1.00 0.00 ATOM 1406 CD2 LEU A 175 -18.923 21.330 63.803 1.00 0.00 ATOM 1407 O LEU A 175 -14.041 21.954 64.290 1.00 0.00 ATOM 1408 C LEU A 175 -14.684 21.855 65.331 1.00 0.00 ATOM 1409 N HIS A 176 -14.170 22.149 66.534 1.00 0.00 ATOM 1410 CA HIS A 176 -12.846 22.737 66.672 1.00 0.00 ATOM 1411 CB HIS A 176 -12.612 23.193 68.113 1.00 0.00 ATOM 1412 CG HIS A 176 -13.426 24.384 68.511 1.00 0.00 ATOM 1413 CD2 HIS A 176 -14.491 24.641 69.471 1.00 0.00 ATOM 1414 ND1 HIS A 176 -13.264 25.623 67.931 1.00 0.00 ATOM 1415 CE1 HIS A 176 -14.132 26.486 68.490 1.00 0.00 ATOM 1416 NE2 HIS A 176 -14.871 25.904 69.415 1.00 0.00 ATOM 1417 O HIS A 176 -10.561 22.286 66.088 1.00 0.00 ATOM 1418 C HIS A 176 -11.648 21.826 66.447 1.00 0.00 ATOM 1419 N LEU A 177 -11.876 20.496 66.830 1.00 0.00 ATOM 1420 CA LEU A 177 -10.837 19.479 66.702 1.00 0.00 ATOM 1421 CB LEU A 177 -9.867 19.373 67.740 1.00 0.00 ATOM 1422 CG LEU A 177 -8.799 20.471 67.699 1.00 0.00 ATOM 1423 CD1 LEU A 177 -7.821 20.256 68.828 1.00 0.00 ATOM 1424 CD2 LEU A 177 -8.077 20.520 66.361 1.00 0.00 ATOM 1425 O LEU A 177 -11.785 17.418 65.810 1.00 0.00 ATOM 1426 C LEU A 177 -11.070 18.415 65.618 1.00 0.00 ATOM 1427 N THR A 178 -10.437 18.637 64.495 1.00 0.00 ATOM 1428 CA THR A 178 -10.547 17.709 63.382 1.00 0.00 ATOM 1429 CB THR A 178 -9.587 18.158 62.279 1.00 0.00 ATOM 1430 CG2 THR A 178 -9.688 17.204 61.069 1.00 0.00 ATOM 1431 OG1 THR A 178 -10.005 19.428 61.773 1.00 0.00 ATOM 1432 O THR A 178 -10.726 15.322 63.450 1.00 0.00 ATOM 1433 C THR A 178 -10.102 16.326 63.830 1.00 0.00 ATOM 1434 N THR A 179 -9.046 16.276 64.595 1.00 0.00 ATOM 1435 CA THR A 179 -8.616 15.000 65.205 1.00 0.00 ATOM 1436 CB THR A 179 -7.279 15.207 66.017 1.00 0.00 ATOM 1437 CG2 THR A 179 -6.973 13.955 66.820 1.00 0.00 ATOM 1438 OG1 THR A 179 -6.293 15.442 65.068 1.00 0.00 ATOM 1439 O THR A 179 -10.030 13.274 66.090 1.00 0.00 ATOM 1440 C THR A 179 -9.719 14.462 66.111 1.00 0.00 ATOM 1441 N PHE A 180 -10.317 15.341 66.908 1.00 0.00 ATOM 1442 CA PHE A 180 -11.397 14.944 67.804 1.00 0.00 ATOM 1443 CB PHE A 180 -11.778 16.029 68.784 1.00 0.00 ATOM 1444 CG PHE A 180 -10.678 16.443 69.756 1.00 0.00 ATOM 1445 CD1 PHE A 180 -10.615 17.713 70.262 1.00 0.00 ATOM 1446 CD2 PHE A 180 -9.721 15.528 70.168 1.00 0.00 ATOM 1447 CE1 PHE A 180 -9.631 18.109 71.141 1.00 0.00 ATOM 1448 CE2 PHE A 180 -8.737 15.906 71.049 1.00 0.00 ATOM 1449 CZ PHE A 180 -8.682 17.200 71.523 1.00 0.00 ATOM 1450 O PHE A 180 -13.175 13.426 67.347 1.00 0.00 ATOM 1451 C PHE A 180 -12.588 14.435 67.008 1.00 0.00 ATOM 1452 N CYS A 181 -12.992 15.188 65.955 1.00 0.00 ATOM 1453 CA CYS A 181 -14.150 14.788 65.148 1.00 0.00 ATOM 1454 CB CYS A 181 -14.411 15.873 64.100 1.00 0.00 ATOM 1455 SG CYS A 181 -15.870 15.531 63.066 1.00 0.00 ATOM 1456 O CYS A 181 -14.827 12.597 64.449 1.00 0.00 ATOM 1457 C CYS A 181 -13.946 13.429 64.474 1.00 0.00 ATOM 1458 N LEU A 182 -13.142 14.126 63.231 1.00 0.00 ATOM 1459 CA LEU A 182 -13.300 13.812 61.801 1.00 0.00 ATOM 1460 CB LEU A 182 -12.073 14.074 61.024 1.00 0.00 ATOM 1461 CG LEU A 182 -11.923 15.617 60.897 1.00 0.00 ATOM 1462 CD1 LEU A 182 -10.583 16.026 60.341 1.00 0.00 ATOM 1463 CD2 LEU A 182 -13.035 16.258 60.068 1.00 0.00 ATOM 1464 O LEU A 182 -14.229 11.916 60.665 1.00 0.00 ATOM 1465 C LEU A 182 -13.557 12.320 61.613 1.00 0.00 ATOM 1466 N GLN A 183 -13.074 11.467 62.502 1.00 0.00 ATOM 1467 CA GLN A 183 -13.254 10.021 62.426 1.00 0.00 ATOM 1468 CB GLN A 183 -12.476 9.324 63.543 1.00 0.00 ATOM 1469 CG GLN A 183 -10.966 9.408 63.393 1.00 0.00 ATOM 1470 CD GLN A 183 -10.229 8.728 64.532 1.00 0.00 ATOM 1471 OE1 GLN A 183 -10.848 8.158 65.431 1.00 0.00 ATOM 1472 NE2 GLN A 183 -8.904 8.789 64.496 1.00 0.00 ATOM 1473 O GLN A 183 -15.006 8.434 62.176 1.00 0.00 ATOM 1474 C GLN A 183 -14.706 9.578 62.553 1.00 0.00 ATOM 1475 N TYR A 184 -15.592 10.424 63.065 1.00 0.00 ATOM 1476 CA TYR A 184 -16.941 9.983 63.404 1.00 0.00 ATOM 1477 CB TYR A 184 -17.233 10.239 64.884 1.00 0.00 ATOM 1478 CG TYR A 184 -16.357 9.448 65.827 1.00 0.00 ATOM 1479 CD1 TYR A 184 -15.153 9.968 66.284 1.00 0.00 ATOM 1480 CD2 TYR A 184 -16.735 8.182 66.257 1.00 0.00 ATOM 1481 CE1 TYR A 184 -14.345 9.250 67.147 1.00 0.00 ATOM 1482 CE2 TYR A 184 -15.940 7.451 67.119 1.00 0.00 ATOM 1483 CZ TYR A 184 -14.737 7.996 67.563 1.00 0.00 ATOM 1484 OH TYR A 184 -13.934 7.282 68.422 1.00 0.00 ATOM 1485 O TYR A 184 -17.774 11.950 62.231 1.00 0.00 ATOM 1486 C TYR A 184 -17.950 10.757 62.553 1.00 0.00 ATOM 1487 N LYS A 185 -19.042 10.090 62.239 1.00 0.00 ATOM 1488 CA LYS A 185 -20.152 10.741 61.548 1.00 0.00 ATOM 1489 CB LYS A 185 -21.119 9.698 60.985 1.00 0.00 ATOM 1490 CG LYS A 185 -20.536 8.852 59.863 1.00 0.00 ATOM 1491 CD LYS A 185 -21.559 7.863 59.329 1.00 0.00 ATOM 1492 CE LYS A 185 -20.977 7.020 58.206 1.00 0.00 ATOM 1493 NZ LYS A 185 -21.971 6.052 57.666 1.00 0.00 ATOM 1494 O LYS A 185 -21.042 11.404 63.671 1.00 0.00 ATOM 1495 C LYS A 185 -20.952 11.653 62.456 1.00 0.00 ATOM 1496 N PRO A 186 -21.616 12.677 61.867 1.00 0.00 ATOM 1497 CA PRO A 186 -22.464 13.568 62.657 1.00 0.00 ATOM 1498 CB PRO A 186 -23.188 14.416 61.609 1.00 0.00 ATOM 1499 CG PRO A 186 -22.240 14.478 60.459 1.00 0.00 ATOM 1500 CD PRO A 186 -21.616 13.114 60.360 1.00 0.00 ATOM 1501 O PRO A 186 -23.677 13.204 64.726 1.00 0.00 ATOM 1502 C PRO A 186 -23.484 12.843 63.560 1.00 0.00 ATOM 1503 N THR A 187 -24.159 11.820 63.024 1.00 0.00 ATOM 1504 CA THR A 187 -25.157 11.057 63.776 1.00 0.00 ATOM 1505 CB THR A 187 -25.808 9.969 62.903 1.00 0.00 ATOM 1506 CG2 THR A 187 -26.821 9.173 63.712 1.00 0.00 ATOM 1507 OG1 THR A 187 -26.478 10.578 61.793 1.00 0.00 ATOM 1508 O THR A 187 -25.059 10.452 66.094 1.00 0.00 ATOM 1509 C THR A 187 -24.502 10.417 65.020 1.00 0.00 ATOM 1510 N VAL A 188 -23.294 9.866 64.841 1.00 0.00 ATOM 1511 CA VAL A 188 -22.602 9.228 65.976 1.00 0.00 ATOM 1512 CB VAL A 188 -21.345 8.520 65.437 1.00 0.00 ATOM 1513 CG1 VAL A 188 -20.545 7.912 66.579 1.00 0.00 ATOM 1514 CG2 VAL A 188 -21.731 7.408 64.474 1.00 0.00 ATOM 1515 O VAL A 188 -22.348 9.979 68.236 1.00 0.00 ATOM 1516 C VAL A 188 -22.172 10.228 67.037 1.00 0.00 ATOM 1517 N ILE A 189 -21.611 11.355 66.634 1.00 0.00 ATOM 1518 CA ILE A 189 -21.229 12.370 67.631 1.00 0.00 ATOM 1519 CB ILE A 189 -20.501 13.545 66.953 1.00 0.00 ATOM 1520 CG1 ILE A 189 -19.121 13.067 66.483 1.00 0.00 ATOM 1521 CG2 ILE A 189 -20.361 14.700 67.920 1.00 0.00 ATOM 1522 CD1 ILE A 189 -18.448 13.992 65.481 1.00 0.00 ATOM 1523 O ILE A 189 -22.464 13.007 69.565 1.00 0.00 ATOM 1524 C ILE A 189 -22.469 12.872 68.339 1.00 0.00 ATOM 1525 N ALA A 190 -23.554 13.111 67.594 1.00 0.00 ATOM 1526 CA ALA A 190 -24.803 13.522 68.219 1.00 0.00 ATOM 1527 CB ALA A 190 -25.898 13.663 67.174 1.00 0.00 ATOM 1528 O ALA A 190 -25.752 12.835 70.312 1.00 0.00 ATOM 1529 C ALA A 190 -25.264 12.480 69.267 1.00 0.00 ATOM 1530 N CYS A 191 -25.082 11.187 68.962 1.00 0.00 ATOM 1531 CA CYS A 191 -25.492 10.141 69.854 1.00 0.00 ATOM 1532 CB CYS A 191 -25.278 8.770 69.210 1.00 0.00 ATOM 1533 SG CYS A 191 -25.832 7.376 70.218 1.00 0.00 ATOM 1534 O CYS A 191 -25.265 10.109 72.266 1.00 0.00 ATOM 1535 C CYS A 191 -24.703 10.153 71.159 1.00 0.00 ATOM 1536 N VAL A 192 -23.390 10.228 71.005 1.00 0.00 ATOM 1537 CA VAL A 192 -22.481 10.324 72.149 1.00 0.00 ATOM 1538 CB VAL A 192 -21.013 10.415 71.695 1.00 0.00 ATOM 1539 CG1 VAL A 192 -20.108 10.724 72.878 1.00 0.00 ATOM 1540 CG2 VAL A 192 -20.564 9.098 71.079 1.00 0.00 ATOM 1541 O VAL A 192 -22.882 11.533 74.221 1.00 0.00 ATOM 1542 C VAL A 192 -22.801 11.597 72.985 1.00 0.00 ATOM 1543 N CYS A 193 -22.999 12.679 72.329 1.00 0.00 ATOM 1544 CA CYS A 193 -23.274 13.955 73.021 1.00 0.00 ATOM 1545 CB CYS A 193 -23.376 15.101 72.013 1.00 0.00 ATOM 1546 SG CYS A 193 -21.813 15.536 71.215 1.00 0.00 ATOM 1547 O CYS A 193 -24.705 14.356 74.921 1.00 0.00 ATOM 1548 C CYS A 193 -24.595 13.889 73.793 1.00 0.00 ATOM 1549 N ILE A 194 -25.614 13.315 73.176 1.00 0.00 ATOM 1550 CA ILE A 194 -26.929 13.201 73.802 1.00 0.00 ATOM 1551 CB ILE A 194 -27.950 12.548 72.852 1.00 0.00 ATOM 1552 CG1 ILE A 194 -28.187 13.437 71.630 1.00 0.00 ATOM 1553 CG2 ILE A 194 -29.281 12.341 73.563 1.00 0.00 ATOM 1554 CD1 ILE A 194 -28.754 14.800 71.966 1.00 0.00 ATOM 1555 O ILE A 194 -27.406 12.678 76.093 1.00 0.00 ATOM 1556 C ILE A 194 -26.817 12.344 75.066 1.00 0.00 ATOM 1557 N HIS A 195 -26.054 11.255 74.993 1.00 0.00 ATOM 1558 CA HIS A 195 -25.874 10.396 76.161 1.00 0.00 ATOM 1559 CB HIS A 195 -25.049 9.160 75.793 1.00 0.00 ATOM 1560 CG HIS A 195 -24.852 8.205 76.929 1.00 0.00 ATOM 1561 CD2 HIS A 195 -23.728 7.788 77.753 1.00 0.00 ATOM 1562 ND1 HIS A 195 -25.880 7.450 77.451 1.00 0.00 ATOM 1563 CE1 HIS A 195 -25.401 6.692 78.455 1.00 0.00 ATOM 1564 NE2 HIS A 195 -24.110 6.891 78.641 1.00 0.00 ATOM 1565 O HIS A 195 -25.540 11.084 78.446 1.00 0.00 ATOM 1566 C HIS A 195 -25.147 11.156 77.277 1.00 0.00 ATOM 1567 N LEU A 196 -24.083 11.873 76.907 1.00 0.00 ATOM 1568 CA LEU A 196 -23.313 12.645 77.881 1.00 0.00 ATOM 1569 CB LEU A 196 -22.159 13.376 77.193 1.00 0.00 ATOM 1570 CG LEU A 196 -21.253 14.217 78.096 1.00 0.00 ATOM 1571 CD1 LEU A 196 -20.573 13.341 79.139 1.00 0.00 ATOM 1572 CD2 LEU A 196 -20.173 14.910 77.280 1.00 0.00 ATOM 1573 O LEU A 196 -24.104 13.927 79.766 1.00 0.00 ATOM 1574 C LEU A 196 -24.224 13.690 78.564 1.00 0.00 ATOM 1575 N ALA A 197 -25.131 14.297 77.793 1.00 0.00 ATOM 1576 CA ALA A 197 -26.071 15.292 78.312 1.00 0.00 ATOM 1577 CB ALA A 197 -26.972 15.802 77.198 1.00 0.00 ATOM 1578 O ALA A 197 -27.103 15.213 80.481 1.00 0.00 ATOM 1579 C ALA A 197 -26.932 14.643 79.402 1.00 0.00 ATOM 1580 N CYS A 198 -27.474 13.458 79.116 1.00 0.00 ATOM 1581 CA CYS A 198 -28.294 12.720 80.058 1.00 0.00 ATOM 1582 CB CYS A 198 -28.679 11.356 79.481 1.00 0.00 ATOM 1583 SG CYS A 198 -29.833 11.431 78.092 1.00 0.00 ATOM 1584 O CYS A 198 -28.009 12.814 82.468 1.00 0.00 ATOM 1585 C CYS A 198 -27.524 12.504 81.363 1.00 0.00 ATOM 1586 N LYS A 199 -26.289 12.060 81.220 1.00 0.00 ATOM 1587 CA LYS A 199 -25.458 11.685 82.372 1.00 0.00 ATOM 1588 CB LYS A 199 -24.145 11.058 81.902 1.00 0.00 ATOM 1589 CG LYS A 199 -23.245 10.581 83.032 1.00 0.00 ATOM 1590 CD LYS A 199 -22.006 9.886 82.494 1.00 0.00 ATOM 1591 CE LYS A 199 -21.095 9.432 83.624 1.00 0.00 ATOM 1592 NZ LYS A 199 -19.865 8.768 83.111 1.00 0.00 ATOM 1593 O LYS A 199 -25.195 12.890 84.420 1.00 0.00 ATOM 1594 C LYS A 199 -25.146 12.926 83.197 1.00 0.00 ATOM 1595 N TRP A 200 -24.871 14.032 82.511 1.00 0.00 ATOM 1596 CA TRP A 200 -24.524 15.269 83.196 1.00 0.00 ATOM 1597 CB TRP A 200 -24.102 16.340 82.188 1.00 0.00 ATOM 1598 CG TRP A 200 -23.724 17.644 82.821 1.00 0.00 ATOM 1599 CD1 TRP A 200 -22.503 17.985 83.326 1.00 0.00 ATOM 1600 CD2 TRP A 200 -24.574 18.782 83.016 1.00 0.00 ATOM 1601 CE2 TRP A 200 -23.799 19.776 83.646 1.00 0.00 ATOM 1602 CE3 TRP A 200 -25.912 19.056 82.720 1.00 0.00 ATOM 1603 NE1 TRP A 200 -22.537 19.266 83.825 1.00 0.00 ATOM 1604 CZ2 TRP A 200 -24.319 21.024 83.985 1.00 0.00 ATOM 1605 CZ3 TRP A 200 -26.423 20.295 83.059 1.00 0.00 ATOM 1606 CH2 TRP A 200 -25.632 21.265 83.684 1.00 0.00 ATOM 1607 O TRP A 200 -25.724 16.049 85.122 1.00 0.00 ATOM 1608 C TRP A 200 -25.758 15.765 83.932 1.00 0.00 ATOM 1609 N SER A 201 -27.045 15.868 83.213 1.00 0.00 ATOM 1610 CA SER A 201 -28.230 16.516 83.716 1.00 0.00 ATOM 1611 CB SER A 201 -29.140 16.907 82.520 1.00 0.00 ATOM 1612 OG SER A 201 -30.264 17.671 82.927 1.00 0.00 ATOM 1613 O SER A 201 -29.331 16.035 85.801 1.00 0.00 ATOM 1614 C SER A 201 -29.001 15.610 84.697 1.00 0.00 ATOM 1615 N ASN A 202 -29.259 14.377 84.287 1.00 0.00 ATOM 1616 CA ASN A 202 -30.149 13.485 85.029 1.00 0.00 ATOM 1617 CB ASN A 202 -31.575 13.570 84.482 1.00 0.00 ATOM 1618 CG ASN A 202 -32.557 12.736 85.279 1.00 0.00 ATOM 1619 ND2 ASN A 202 -33.517 13.399 85.911 1.00 0.00 ATOM 1620 OD1 ASN A 202 -32.450 11.510 85.326 1.00 0.00 ATOM 1621 O ASN A 202 -29.620 11.483 83.825 1.00 0.00 ATOM 1622 C ASN A 202 -29.691 12.028 84.924 1.00 0.00 ATOM 1623 N TRP A 203 -29.379 11.411 86.060 1.00 0.00 ATOM 1624 CA TRP A 203 -28.763 10.082 86.081 1.00 0.00 ATOM 1625 CB TRP A 203 -28.434 9.665 87.516 1.00 0.00 ATOM 1626 CG TRP A 203 -27.799 8.313 87.617 1.00 0.00 ATOM 1627 CD1 TRP A 203 -28.376 7.171 88.094 1.00 0.00 ATOM 1628 CD2 TRP A 203 -26.465 7.959 87.233 1.00 0.00 ATOM 1629 CE2 TRP A 203 -26.304 6.586 87.506 1.00 0.00 ATOM 1630 CE3 TRP A 203 -25.392 8.667 86.687 1.00 0.00 ATOM 1631 NE1 TRP A 203 -27.486 6.127 88.031 1.00 0.00 ATOM 1632 CZ2 TRP A 203 -25.112 5.907 87.250 1.00 0.00 ATOM 1633 CZ3 TRP A 203 -24.213 7.991 86.434 1.00 0.00 ATOM 1634 CH2 TRP A 203 -24.079 6.627 86.714 1.00 0.00 ATOM 1635 O TRP A 203 -29.242 8.148 84.744 1.00 0.00 ATOM 1636 C TRP A 203 -29.687 9.028 85.487 1.00 0.00 ATOM 1637 N GLU A 204 -30.958 9.053 85.851 1.00 0.00 ATOM 1638 CA GLU A 204 -31.916 8.112 85.293 1.00 0.00 ATOM 1639 CB GLU A 204 -33.112 7.946 86.231 1.00 0.00 ATOM 1640 CG GLU A 204 -32.779 7.263 87.548 1.00 0.00 ATOM 1641 CD GLU A 204 -33.957 7.229 88.501 1.00 0.00 ATOM 1642 OE1 GLU A 204 -35.024 7.774 88.146 1.00 0.00 ATOM 1643 OE2 GLU A 204 -33.814 6.659 89.602 1.00 0.00 ATOM 1644 O GLU A 204 -33.184 7.667 83.315 1.00 0.00 ATOM 1645 C GLU A 204 -32.384 8.414 83.877 1.00 0.00 ATOM 1646 N ILE A 205 -31.911 9.654 83.008 1.00 0.00 ATOM 1647 CA ILE A 205 -32.281 9.993 81.641 1.00 0.00 ATOM 1648 CB ILE A 205 -31.754 11.382 81.259 1.00 0.00 ATOM 1649 CG1 ILE A 205 -32.359 12.462 82.182 1.00 0.00 ATOM 1650 CG2 ILE A 205 -32.061 11.675 79.783 1.00 0.00 ATOM 1651 CD1 ILE A 205 -33.850 12.769 81.927 1.00 0.00 ATOM 1652 O ILE A 205 -30.425 8.675 80.890 1.00 0.00 ATOM 1653 C ILE A 205 -31.619 8.932 80.760 1.00 0.00 ATOM 1654 N PRO A 206 -32.392 8.284 79.873 1.00 0.00 ATOM 1655 CA PRO A 206 -31.812 7.257 79.000 1.00 0.00 ATOM 1656 CB PRO A 206 -32.999 6.765 78.193 1.00 0.00 ATOM 1657 CG PRO A 206 -33.944 7.905 78.187 1.00 0.00 ATOM 1658 CD PRO A 206 -33.845 8.464 79.593 1.00 0.00 ATOM 1659 O PRO A 206 -30.722 8.983 77.778 1.00 0.00 ATOM 1660 C PRO A 206 -30.653 7.826 78.184 1.00 0.00 ATOM 1661 N VAL A 207 -29.501 7.808 76.476 1.00 0.00 ATOM 1662 CA VAL A 207 -29.945 7.704 75.039 1.00 0.00 ATOM 1663 CB VAL A 207 -28.854 7.069 74.156 1.00 0.00 ATOM 1664 CG1 VAL A 207 -29.361 6.885 72.734 1.00 0.00 ATOM 1665 CG2 VAL A 207 -27.618 7.954 74.116 1.00 0.00 ATOM 1666 O VAL A 207 -31.156 5.689 75.361 1.00 0.00 ATOM 1667 C VAL A 207 -31.191 6.845 74.956 1.00 0.00 ATOM 1668 N SER A 208 -32.317 7.453 74.534 1.00 0.00 ATOM 1669 CA SER A 208 -33.593 6.735 74.623 1.00 0.00 ATOM 1670 CB SER A 208 -34.764 7.701 74.434 1.00 0.00 ATOM 1671 OG SER A 208 -34.799 8.669 75.469 1.00 0.00 ATOM 1672 O SER A 208 -33.263 5.772 72.452 1.00 0.00 ATOM 1673 C SER A 208 -33.762 5.635 73.573 1.00 0.00 ATOM 1674 N THR A 209 -34.533 4.614 73.930 1.00 0.00 ATOM 1675 CA THR A 209 -34.807 3.512 73.021 1.00 0.00 ATOM 1676 CB THR A 209 -35.777 2.492 73.647 1.00 0.00 ATOM 1677 CG2 THR A 209 -36.077 1.372 72.665 1.00 0.00 ATOM 1678 OG1 THR A 209 -35.187 1.930 74.826 1.00 0.00 ATOM 1679 O THR A 209 -35.126 3.430 70.611 1.00 0.00 ATOM 1680 C THR A 209 -35.429 3.976 71.681 1.00 0.00 ATOM 1681 N ASP A 210 -36.296 5.077 71.724 1.00 0.00 ATOM 1682 CA ASP A 210 -36.929 5.567 70.490 1.00 0.00 ATOM 1683 CB ASP A 210 -37.852 6.734 70.852 1.00 0.00 ATOM 1684 CG ASP A 210 -39.094 6.284 71.597 1.00 0.00 ATOM 1685 OD1 ASP A 210 -39.359 5.063 71.629 1.00 0.00 ATOM 1686 OD2 ASP A 210 -39.803 7.151 72.149 1.00 0.00 ATOM 1687 O ASP A 210 -36.057 5.715 68.311 1.00 0.00 ATOM 1688 C ASP A 210 -35.885 6.019 69.480 1.00 0.00 ATOM 1689 N GLY A 211 -34.802 6.628 69.878 1.00 0.00 ATOM 1690 CA GLY A 211 -33.774 7.043 68.948 1.00 0.00 ATOM 1691 O GLY A 211 -32.360 6.004 67.258 1.00 0.00 ATOM 1692 C GLY A 211 -32.887 5.902 68.398 1.00 0.00 ATOM 1693 N LYS A 212 -32.730 4.825 69.149 1.00 0.00 ATOM 1694 CA LYS A 212 -32.164 3.605 68.573 1.00 0.00 ATOM 1695 CB LYS A 212 -32.096 2.496 69.624 1.00 0.00 ATOM 1696 CG LYS A 212 -31.481 1.200 69.121 1.00 0.00 ATOM 1697 CD LYS A 212 -31.379 0.169 70.234 1.00 0.00 ATOM 1698 CE LYS A 212 -30.810 -1.143 69.720 1.00 0.00 ATOM 1699 NZ LYS A 212 -30.727 -2.170 70.793 1.00 0.00 ATOM 1700 O LYS A 212 -32.587 2.882 66.315 1.00 0.00 ATOM 1701 C LYS A 212 -33.068 3.154 67.407 1.00 0.00 ATOM 1702 N HIS A 213 -34.389 3.134 67.624 1.00 0.00 ATOM 1703 CA HIS A 213 -35.336 2.766 66.559 1.00 0.00 ATOM 1704 CB HIS A 213 -36.777 2.861 67.068 1.00 0.00 ATOM 1705 CG HIS A 213 -37.804 2.499 66.042 1.00 0.00 ATOM 1706 CD2 HIS A 213 -38.785 3.228 65.252 1.00 0.00 ATOM 1707 ND1 HIS A 213 -38.012 1.202 65.621 1.00 0.00 ATOM 1708 CE1 HIS A 213 -38.993 1.192 64.702 1.00 0.00 ATOM 1709 NE2 HIS A 213 -39.462 2.403 64.475 1.00 0.00 ATOM 1710 O HIS A 213 -35.071 3.243 64.223 1.00 0.00 ATOM 1711 C HIS A 213 -35.202 3.699 65.363 1.00 0.00 ATOM 1712 N TRP A 214 -35.187 5.079 65.593 1.00 0.00 ATOM 1713 CA TRP A 214 -35.027 6.060 64.536 1.00 0.00 ATOM 1714 CB TRP A 214 -35.016 7.461 65.149 1.00 0.00 ATOM 1715 CG TRP A 214 -36.345 7.888 65.693 1.00 0.00 ATOM 1716 CD1 TRP A 214 -37.539 7.243 65.539 1.00 0.00 ATOM 1717 CD2 TRP A 214 -36.615 9.054 66.479 1.00 0.00 ATOM 1718 CE2 TRP A 214 -37.996 9.053 66.766 1.00 0.00 ATOM 1719 CE3 TRP A 214 -35.827 10.100 66.969 1.00 0.00 ATOM 1720 NE1 TRP A 214 -38.537 7.936 66.181 1.00 0.00 ATOM 1721 CZ2 TRP A 214 -38.603 10.055 67.520 1.00 0.00 ATOM 1722 CZ3 TRP A 214 -36.434 11.091 67.717 1.00 0.00 ATOM 1723 CH2 TRP A 214 -37.807 11.066 67.987 1.00 0.00 ATOM 1724 O TRP A 214 -33.741 5.928 62.500 1.00 0.00 ATOM 1725 C TRP A 214 -33.744 5.915 63.730 1.00 0.00 ATOM 1726 N TRP A 215 -32.652 5.814 64.465 1.00 0.00 ATOM 1727 CA TRP A 215 -31.303 5.902 63.902 1.00 0.00 ATOM 1728 CB TRP A 215 -30.388 6.711 64.824 1.00 0.00 ATOM 1729 CG TRP A 215 -30.826 8.131 65.006 1.00 0.00 ATOM 1730 CD1 TRP A 215 -31.588 8.632 66.022 1.00 0.00 ATOM 1731 CD2 TRP A 215 -30.528 9.238 64.145 1.00 0.00 ATOM 1732 CE2 TRP A 215 -31.141 10.377 64.704 1.00 0.00 ATOM 1733 CE3 TRP A 215 -29.802 9.377 62.958 1.00 0.00 ATOM 1734 NE1 TRP A 215 -31.783 9.980 65.850 1.00 0.00 ATOM 1735 CZ2 TRP A 215 -31.051 11.638 64.114 1.00 0.00 ATOM 1736 CZ3 TRP A 215 -29.717 10.629 62.379 1.00 0.00 ATOM 1737 CH2 TRP A 215 -30.336 11.744 62.954 1.00 0.00 ATOM 1738 O TRP A 215 -29.629 4.572 62.878 1.00 0.00 ATOM 1739 C TRP A 215 -30.586 4.600 63.664 1.00 0.00 ATOM 1740 N GLU A 216 -30.987 3.544 64.362 1.00 0.00 ATOM 1741 CA GLU A 216 -30.278 2.282 64.320 1.00 0.00 ATOM 1742 CB GLU A 216 -29.839 1.953 62.892 1.00 0.00 ATOM 1743 CG GLU A 216 -30.989 1.736 61.922 1.00 0.00 ATOM 1744 CD GLU A 216 -30.515 1.461 60.509 1.00 0.00 ATOM 1745 OE1 GLU A 216 -29.742 2.282 59.971 1.00 0.00 ATOM 1746 OE2 GLU A 216 -30.917 0.425 59.939 1.00 0.00 ATOM 1747 O GLU A 216 -28.361 1.240 65.302 1.00 0.00 ATOM 1748 C GLU A 216 -29.024 2.284 65.188 1.00 0.00 ATOM 1749 N TYR A 217 -28.699 3.418 65.807 1.00 0.00 ATOM 1750 CA TYR A 217 -27.557 3.494 66.707 1.00 0.00 ATOM 1751 CB TYR A 217 -27.079 4.947 66.988 1.00 0.00 ATOM 1752 CG TYR A 217 -26.477 5.424 65.704 1.00 0.00 ATOM 1753 CD1 TYR A 217 -27.262 6.095 64.771 1.00 0.00 ATOM 1754 CD2 TYR A 217 -25.169 5.079 65.367 1.00 0.00 ATOM 1755 CE1 TYR A 217 -26.692 6.488 63.562 1.00 0.00 ATOM 1756 CE2 TYR A 217 -24.584 5.470 64.160 1.00 0.00 ATOM 1757 CZ TYR A 217 -25.364 6.187 63.257 1.00 0.00 ATOM 1758 OH TYR A 217 -24.853 6.532 62.026 1.00 0.00 ATOM 1759 O TYR A 217 -29.052 2.908 68.484 1.00 0.00 ATOM 1760 C TYR A 217 -27.899 2.875 68.055 1.00 0.00 ATOM 1761 N VAL A 218 -26.747 2.580 68.820 1.00 0.00 ATOM 1762 CA VAL A 218 -26.862 1.961 70.138 1.00 0.00 ATOM 1763 CB VAL A 218 -26.339 0.512 70.128 1.00 0.00 ATOM 1764 CG1 VAL A 218 -27.162 -0.344 69.177 1.00 0.00 ATOM 1765 CG2 VAL A 218 -24.887 0.473 69.676 1.00 0.00 ATOM 1766 O VAL A 218 -25.837 3.852 71.200 1.00 0.00 ATOM 1767 C VAL A 218 -26.294 2.717 71.334 1.00 0.00 ATOM 1768 N ASP A 219 -25.978 2.005 72.407 1.00 0.00 ATOM 1769 CA ASP A 219 -25.458 2.678 73.586 1.00 0.00 ATOM 1770 CB ASP A 219 -26.070 1.637 74.786 1.00 0.00 ATOM 1771 CG ASP A 219 -25.245 0.374 74.813 1.00 0.00 ATOM 1772 OD1 ASP A 219 -24.057 0.426 74.435 1.00 0.00 ATOM 1773 OD2 ASP A 219 -25.749 -0.698 75.213 1.00 0.00 ATOM 1774 O ASP A 219 -23.222 3.550 73.409 1.00 0.00 ATOM 1775 C ASP A 219 -24.183 3.279 74.153 1.00 0.00 ATOM 1776 N PRO A 220 -24.203 3.442 75.578 1.00 0.00 ATOM 1777 CA PRO A 220 -22.998 4.074 76.105 1.00 0.00 ATOM 1778 CB PRO A 220 -23.152 3.958 77.623 1.00 0.00 ATOM 1779 CG PRO A 220 -24.627 3.936 77.848 1.00 0.00 ATOM 1780 CD PRO A 220 -25.207 3.128 76.721 1.00 0.00 ATOM 1781 O PRO A 220 -20.745 3.989 75.397 1.00 0.00 ATOM 1782 C PRO A 220 -21.766 3.354 75.613 1.00 0.00 ATOM 1783 N THR A 221 -21.836 2.046 75.386 1.00 0.00 ATOM 1784 CA THR A 221 -20.653 1.360 74.915 1.00 0.00 ATOM 1785 CB THR A 221 -20.892 -0.156 74.792 1.00 0.00 ATOM 1786 CG2 THR A 221 -19.648 -0.850 74.258 1.00 0.00 ATOM 1787 OG1 THR A 221 -21.211 -0.700 76.078 1.00 0.00 ATOM 1788 O THR A 221 -19.054 2.171 73.304 1.00 0.00 ATOM 1789 C THR A 221 -20.227 1.886 73.534 1.00 0.00 ATOM 1790 N VAL A 222 -21.179 2.007 72.632 1.00 0.00 ATOM 1791 CA VAL A 222 -20.870 2.501 71.297 1.00 0.00 ATOM 1792 CB VAL A 222 -22.067 2.408 70.333 1.00 0.00 ATOM 1793 CG1 VAL A 222 -21.717 3.025 68.988 1.00 0.00 ATOM 1794 CG2 VAL A 222 -22.458 0.955 70.109 1.00 0.00 ATOM 1795 O VAL A 222 -19.534 4.306 70.495 1.00 0.00 ATOM 1796 C VAL A 222 -20.382 3.956 71.285 1.00 0.00 ATOM 1797 N THR A 223 -20.931 4.761 72.280 1.00 0.00 ATOM 1798 CA THR A 223 -20.553 6.166 72.395 1.00 0.00 ATOM 1799 CB THR A 223 -21.632 6.981 73.134 1.00 0.00 ATOM 1800 CG2 THR A 223 -22.959 6.901 72.396 1.00 0.00 ATOM 1801 OG1 THR A 223 -21.806 6.459 74.457 1.00 0.00 ATOM 1802 O THR A 223 -18.723 7.492 73.219 1.00 0.00 ATOM 1803 C THR A 223 -19.232 6.363 73.173 1.00 0.00 ATOM 1804 N LEU A 224 -18.754 5.312 73.828 1.00 0.00 ATOM 1805 CA LEU A 224 -17.627 5.451 74.787 1.00 0.00 ATOM 1806 CB LEU A 224 -17.190 4.078 75.302 1.00 0.00 ATOM 1807 CG LEU A 224 -16.027 4.066 76.295 1.00 0.00 ATOM 1808 CD1 LEU A 224 -16.399 4.808 77.569 1.00 0.00 ATOM 1809 CD2 LEU A 224 -15.653 2.639 76.668 1.00 0.00 ATOM 1810 O LEU A 224 -15.726 6.845 74.900 1.00 0.00 ATOM 1811 C LEU A 224 -16.357 6.047 74.216 1.00 0.00 ATOM 1812 N GLU A 225 -15.939 5.754 72.996 1.00 0.00 ATOM 1813 CA GLU A 225 -14.699 6.339 72.478 1.00 0.00 ATOM 1814 CB GLU A 225 -14.354 5.786 71.095 1.00 0.00 ATOM 1815 CG GLU A 225 -13.823 4.361 71.111 1.00 0.00 ATOM 1816 CD GLU A 225 -13.622 3.799 69.717 1.00 0.00 ATOM 1817 OE1 GLU A 225 -13.974 4.493 68.740 1.00 0.00 ATOM 1818 OE2 GLU A 225 -13.111 2.664 69.602 1.00 0.00 ATOM 1819 O GLU A 225 -14.003 8.619 72.778 1.00 0.00 ATOM 1820 C GLU A 225 -14.860 7.850 72.327 1.00 0.00 ATOM 1821 N LEU A 226 -15.977 8.292 71.752 1.00 0.00 ATOM 1822 CA LEU A 226 -16.219 9.703 71.584 1.00 0.00 ATOM 1823 CB LEU A 226 -17.368 9.935 70.576 1.00 0.00 ATOM 1824 CG LEU A 226 -17.710 11.397 70.272 1.00 0.00 ATOM 1825 CD1 LEU A 226 -16.489 12.110 69.713 1.00 0.00 ATOM 1826 CD2 LEU A 226 -18.871 11.455 69.283 1.00 0.00 ATOM 1827 O LEU A 226 -16.032 11.517 73.205 1.00 0.00 ATOM 1828 C LEU A 226 -16.492 10.376 72.932 1.00 0.00 ATOM 1829 N LEU A 227 -17.225 9.684 73.783 1.00 0.00 ATOM 1830 CA LEU A 227 -17.588 10.225 75.075 1.00 0.00 ATOM 1831 CB LEU A 227 -18.524 9.268 75.813 1.00 0.00 ATOM 1832 CG LEU A 227 -19.005 9.719 77.194 1.00 0.00 ATOM 1833 CD1 LEU A 227 -19.797 11.013 77.091 1.00 0.00 ATOM 1834 CD2 LEU A 227 -19.900 8.663 77.824 1.00 0.00 ATOM 1835 O LEU A 227 -16.192 11.442 76.606 1.00 0.00 ATOM 1836 C LEU A 227 -16.321 10.432 75.894 1.00 0.00 ATOM 1837 N ASP A 228 -15.389 9.487 75.839 1.00 0.00 ATOM 1838 CA ASP A 228 -14.142 9.698 76.618 1.00 0.00 ATOM 1839 CB ASP A 228 -13.238 8.479 76.432 1.00 0.00 ATOM 1840 CG ASP A 228 -13.733 7.264 77.191 1.00 0.00 ATOM 1841 OD1 ASP A 228 -14.632 7.422 78.043 1.00 0.00 ATOM 1842 OD2 ASP A 228 -13.222 6.153 76.934 1.00 0.00 ATOM 1843 O ASP A 228 -12.921 11.733 76.984 1.00 0.00 ATOM 1844 C ASP A 228 -13.377 10.926 76.140 1.00 0.00 ATOM 1845 N GLU A 229 -13.316 11.128 74.827 1.00 0.00 ATOM 1846 CA GLU A 229 -12.648 12.313 74.284 1.00 0.00 ATOM 1847 CB GLU A 229 -12.626 12.261 72.756 1.00 0.00 ATOM 1848 CG GLU A 229 -11.690 11.209 72.183 1.00 0.00 ATOM 1849 CD GLU A 229 -11.795 11.094 70.675 1.00 0.00 ATOM 1850 OE1 GLU A 229 -12.659 11.777 70.086 1.00 0.00 ATOM 1851 OE2 GLU A 229 -11.016 10.318 70.083 1.00 0.00 ATOM 1852 O GLU A 229 -12.748 14.553 75.099 1.00 0.00 ATOM 1853 C GLU A 229 -13.375 13.587 74.699 1.00 0.00 ATOM 1854 N LEU A 230 -14.699 13.598 74.552 1.00 0.00 ATOM 1855 CA LEU A 230 -15.496 14.799 74.835 1.00 0.00 ATOM 1856 CB LEU A 230 -16.964 14.570 74.470 1.00 0.00 ATOM 1857 CG LEU A 230 -17.283 14.463 72.978 1.00 0.00 ATOM 1858 CD1 LEU A 230 -18.733 14.056 72.764 1.00 0.00 ATOM 1859 CD2 LEU A 230 -17.055 15.795 72.281 1.00 0.00 ATOM 1860 O LEU A 230 -15.427 16.349 76.721 1.00 0.00 ATOM 1861 C LEU A 230 -15.435 15.175 76.342 1.00 0.00 ATOM 1862 N THR A 231 -15.404 14.166 77.196 1.00 0.00 ATOM 1863 CA THR A 231 -15.278 14.396 78.616 1.00 0.00 ATOM 1864 CB THR A 231 -15.308 13.074 79.407 1.00 0.00 ATOM 1865 CG2 THR A 231 -15.136 13.339 80.894 1.00 0.00 ATOM 1866 OG1 THR A 231 -16.564 12.416 79.195 1.00 0.00 ATOM 1867 O THR A 231 -13.912 16.066 79.707 1.00 0.00 ATOM 1868 C THR A 231 -13.948 15.106 78.930 1.00 0.00 ATOM 1869 N HIS A 232 -12.875 14.634 78.316 1.00 0.00 ATOM 1870 CA HIS A 232 -11.556 15.274 78.468 1.00 0.00 ATOM 1871 CB HIS A 232 -10.485 14.476 77.724 1.00 0.00 ATOM 1872 CG HIS A 232 -9.121 15.094 77.781 1.00 0.00 ATOM 1873 CD2 HIS A 232 -8.269 15.818 76.849 1.00 0.00 ATOM 1874 ND1 HIS A 232 -8.340 15.065 78.916 1.00 0.00 ATOM 1875 CE1 HIS A 232 -7.179 15.697 78.663 1.00 0.00 ATOM 1876 NE2 HIS A 232 -7.131 16.151 77.425 1.00 0.00 ATOM 1877 O HIS A 232 -11.166 17.620 78.624 1.00 0.00 ATOM 1878 C HIS A 232 -11.620 16.704 77.964 1.00 0.00 ATOM 1879 N GLU A 233 -12.167 16.891 76.756 1.00 0.00 ATOM 1880 CA GLU A 233 -12.271 18.233 76.175 1.00 0.00 ATOM 1881 CB GLU A 233 -13.030 18.194 74.846 1.00 0.00 ATOM 1882 CG GLU A 233 -13.163 19.548 74.168 1.00 0.00 ATOM 1883 CD GLU A 233 -13.867 19.463 72.829 1.00 0.00 ATOM 1884 OE1 GLU A 233 -14.233 18.340 72.422 1.00 0.00 ATOM 1885 OE2 GLU A 233 -14.051 20.517 72.186 1.00 0.00 ATOM 1886 O GLU A 233 -12.643 20.297 77.383 1.00 0.00 ATOM 1887 C GLU A 233 -13.047 19.152 77.145 1.00 0.00 ATOM 1888 N PHE A 234 -14.130 18.637 77.732 1.00 0.00 ATOM 1889 CA PHE A 234 -14.944 19.381 78.686 1.00 0.00 ATOM 1890 CB PHE A 234 -16.130 18.535 79.152 1.00 0.00 ATOM 1891 CG PHE A 234 -16.999 19.217 80.170 1.00 0.00 ATOM 1892 CD1 PHE A 234 -17.931 20.164 79.785 1.00 0.00 ATOM 1893 CD2 PHE A 234 -16.882 18.912 81.516 1.00 0.00 ATOM 1894 CE1 PHE A 234 -18.729 20.791 80.723 1.00 0.00 ATOM 1895 CE2 PHE A 234 -17.681 19.540 82.454 1.00 0.00 ATOM 1896 CZ PHE A 234 -18.601 20.475 82.062 1.00 0.00 ATOM 1897 O PHE A 234 -14.016 20.933 80.320 1.00 0.00 ATOM 1898 C PHE A 234 -14.097 19.764 79.929 1.00 0.00 ATOM 1899 N LEU A 235 -13.380 18.799 80.462 1.00 0.00 ATOM 1900 CA LEU A 235 -12.521 19.020 81.631 1.00 0.00 ATOM 1901 CB LEU A 235 -11.785 17.732 82.006 1.00 0.00 ATOM 1902 CG LEU A 235 -12.643 16.605 82.584 1.00 0.00 ATOM 1903 CD1 LEU A 235 -11.824 15.332 82.740 1.00 0.00 ATOM 1904 CD2 LEU A 235 -13.187 16.991 83.952 1.00 0.00 ATOM 1905 O LEU A 235 -11.142 20.892 82.239 1.00 0.00 ATOM 1906 C LEU A 235 -11.474 20.091 81.365 1.00 0.00 ATOM 1907 N GLN A 236 -10.940 20.100 80.155 1.00 0.00 ATOM 1908 CA GLN A 236 -9.822 20.979 79.796 1.00 0.00 ATOM 1909 CB GLN A 236 -8.886 20.280 78.808 1.00 0.00 ATOM 1910 CG GLN A 236 -8.272 18.994 79.338 1.00 0.00 ATOM 1911 CD GLN A 236 -7.431 19.219 80.579 1.00 0.00 ATOM 1912 OE1 GLN A 236 -6.580 20.109 80.613 1.00 0.00 ATOM 1913 NE2 GLN A 236 -7.664 18.410 81.606 1.00 0.00 ATOM 1914 O GLN A 236 -9.430 23.141 78.798 1.00 0.00 ATOM 1915 C GLN A 236 -10.259 22.289 79.139 1.00 0.00 ATOM 1916 N ILE A 237 -11.564 22.483 79.016 1.00 0.00 ATOM 1917 CA ILE A 237 -12.051 23.599 78.251 1.00 0.00 ATOM 1918 CB ILE A 237 -13.561 23.748 78.264 1.00 0.00 ATOM 1919 CG1 ILE A 237 -14.002 24.713 77.138 1.00 0.00 ATOM 1920 CG2 ILE A 237 -14.113 24.209 79.604 1.00 0.00 ATOM 1921 CD1 ILE A 237 -13.674 24.279 75.702 1.00 0.00 ATOM 1922 O ILE A 237 -11.224 25.853 78.101 1.00 0.00 ATOM 1923 C ILE A 237 -11.595 24.936 78.837 1.00 0.00 ATOM 1924 N LEU A 238 -11.636 25.045 80.166 1.00 0.00 ATOM 1925 CA LEU A 238 -11.226 26.273 80.839 1.00 0.00 ATOM 1926 CB LEU A 238 -11.477 26.214 82.347 1.00 0.00 ATOM 1927 CG LEU A 238 -12.941 26.196 82.792 1.00 0.00 ATOM 1928 CD1 LEU A 238 -13.044 25.998 84.297 1.00 0.00 ATOM 1929 CD2 LEU A 238 -13.626 27.504 82.435 1.00 0.00 ATOM 1930 O LEU A 238 -9.284 27.735 80.852 1.00 0.00 ATOM 1931 C LEU A 238 -9.735 26.572 80.651 1.00 0.00 ATOM 1932 N GLU A 239 -8.944 25.553 80.323 1.00 0.00 ATOM 1933 CA GLU A 239 -7.501 25.731 80.102 1.00 0.00 ATOM 1934 CB GLU A 239 -6.756 24.505 80.643 1.00 0.00 ATOM 1935 CG GLU A 239 -7.099 24.213 82.098 1.00 0.00 ATOM 1936 CD GLU A 239 -7.018 25.456 82.984 1.00 0.00 ATOM 1937 OE1 GLU A 239 -7.818 25.564 83.962 1.00 0.00 ATOM 1938 OE2 GLU A 239 -6.164 26.330 82.711 1.00 0.00 ATOM 1939 O GLU A 239 -5.910 26.151 78.353 1.00 0.00 ATOM 1940 C GLU A 239 -7.088 25.904 78.631 1.00 0.00 ATOM 1941 N LYS A 240 -8.037 25.757 77.692 1.00 0.00 ATOM 1942 CA LYS A 240 -7.717 25.807 76.284 1.00 0.00 ATOM 1943 CB LYS A 240 -8.946 25.455 75.442 1.00 0.00 ATOM 1944 CG LYS A 240 -9.465 24.043 75.660 1.00 0.00 ATOM 1945 CD LYS A 240 -8.489 23.008 75.125 1.00 0.00 ATOM 1946 CE LYS A 240 -9.060 21.604 75.234 1.00 0.00 ATOM 1947 NZ LYS A 240 -8.085 20.571 74.786 1.00 0.00 ATOM 1948 O LYS A 240 -7.724 28.218 76.481 1.00 0.00 ATOM 1949 C LYS A 240 -7.249 27.222 75.921 1.00 0.00 ATOM 1950 N THR A 241 -6.307 27.306 74.998 1.00 0.00 ATOM 1951 CA THR A 241 -5.760 28.608 74.553 1.00 0.00 ATOM 1952 CB THR A 241 -4.724 28.431 73.428 1.00 0.00 ATOM 1953 CG2 THR A 241 -4.208 29.784 72.960 1.00 0.00 ATOM 1954 OG1 THR A 241 -3.621 27.654 73.909 1.00 0.00 ATOM 1955 O THR A 241 -6.766 30.777 74.167 1.00 0.00 ATOM 1956 C THR A 241 -6.853 29.541 74.014 1.00 0.00 ATOM 1957 N PRO A 242 -7.854 28.927 73.355 1.00 0.00 ATOM 1958 CA PRO A 242 -8.994 29.624 72.754 1.00 0.00 ATOM 1959 CB PRO A 242 -9.256 28.855 71.458 1.00 0.00 ATOM 1960 CG PRO A 242 -8.832 27.458 71.761 1.00 0.00 ATOM 1961 CD PRO A 242 -7.760 27.565 72.808 1.00 0.00 ATOM 1962 O PRO A 242 -10.400 28.547 74.378 1.00 0.00 ATOM 1963 C PRO A 242 -10.103 29.595 73.803 1.00 0.00 ATOM 1964 N ASN A 243 -10.707 30.764 74.094 1.00 0.00 ATOM 1965 CA ASN A 243 -11.783 30.893 75.069 1.00 0.00 ATOM 1966 CB ASN A 243 -11.239 31.729 76.229 1.00 0.00 ATOM 1967 CG ASN A 243 -10.888 33.144 75.812 1.00 0.00 ATOM 1968 ND2 ASN A 243 -10.324 33.910 76.740 1.00 0.00 ATOM 1969 OD1 ASN A 243 -11.122 33.542 74.672 1.00 0.00 ATOM 1970 O ASN A 243 -13.965 31.816 75.446 1.00 0.00 ATOM 1971 C ASN A 243 -13.072 31.585 74.616 1.00 0.00 ATOM 1972 N ARG A 244 -13.027 31.908 73.202 1.00 0.00 ATOM 1973 CA ARG A 244 -14.151 32.733 72.764 1.00 0.00 ATOM 1974 CB ARG A 244 -13.977 33.144 71.301 1.00 0.00 ATOM 1975 CG ARG A 244 -12.763 34.022 71.044 1.00 0.00 ATOM 1976 CD ARG A 244 -12.908 35.376 71.718 1.00 0.00 ATOM 1977 NE ARG A 244 -11.768 36.248 71.446 1.00 0.00 ATOM 1978 CZ ARG A 244 -11.578 37.431 72.023 1.00 0.00 ATOM 1979 NH1 ARG A 244 -10.511 38.155 71.713 1.00 0.00 ATOM 1980 NH2 ARG A 244 -12.453 37.885 72.908 1.00 0.00 ATOM 1981 O ARG A 244 -16.503 32.614 73.234 1.00 0.00 ATOM 1982 C ARG A 244 -15.499 32.004 72.884 1.00 0.00 ATOM 1983 N LEU A 245 -15.499 30.713 72.604 1.00 0.00 ATOM 1984 CA LEU A 245 -16.717 29.923 72.752 1.00 0.00 ATOM 1985 CB LEU A 245 -16.500 28.503 72.227 1.00 0.00 ATOM 1986 CG LEU A 245 -17.707 27.565 72.285 1.00 0.00 ATOM 1987 CD1 LEU A 245 -18.854 28.111 71.448 1.00 0.00 ATOM 1988 CD2 LEU A 245 -17.345 26.187 71.757 1.00 0.00 ATOM 1989 O LEU A 245 -18.356 30.057 74.504 1.00 0.00 ATOM 1990 C LEU A 245 -17.170 29.880 74.210 1.00 0.00 ATOM 1991 N LYS A 246 -16.232 29.635 75.149 1.00 0.00 ATOM 1992 CA LYS A 246 -16.553 29.579 76.578 1.00 0.00 ATOM 1993 CB LYS A 246 -15.318 29.445 77.423 1.00 0.00 ATOM 1994 CG LYS A 246 -15.588 29.472 78.916 1.00 0.00 ATOM 1995 CD LYS A 246 -14.293 29.447 79.720 1.00 0.00 ATOM 1996 CE LYS A 246 -13.411 30.644 79.387 1.00 0.00 ATOM 1997 NZ LYS A 246 -12.179 30.683 80.224 1.00 0.00 ATOM 1998 O LYS A 246 -18.173 30.953 77.689 1.00 0.00 ATOM 1999 C LYS A 246 -17.165 30.920 76.995 1.00 0.00 ATOM 2000 N LYS A 247 -16.556 32.012 76.561 1.00 0.00 ATOM 2001 CA LYS A 247 -17.057 33.340 76.900 1.00 0.00 ATOM 2002 CB LYS A 247 -16.172 34.447 76.325 1.00 0.00 ATOM 2003 CG LYS A 247 -16.604 35.852 76.714 1.00 0.00 ATOM 2004 CD LYS A 247 -15.643 36.896 76.170 1.00 0.00 ATOM 2005 CE LYS A 247 -16.100 38.303 76.519 1.00 0.00 ATOM 2006 NZ LYS A 247 -15.181 39.338 75.971 1.00 0.00 ATOM 2007 O LYS A 247 -19.385 33.990 77.124 1.00 0.00 ATOM 2008 C LYS A 247 -18.480 33.546 76.384 1.00 0.00 ATOM 2009 N ILE A 248 -18.665 33.193 75.112 1.00 0.00 ATOM 2010 CA ILE A 248 -19.958 33.317 74.444 1.00 0.00 ATOM 2011 CB ILE A 248 -19.926 32.696 73.036 1.00 0.00 ATOM 2012 CG1 ILE A 248 -19.022 33.515 72.111 1.00 0.00 ATOM 2013 CG2 ILE A 248 -21.324 32.663 72.436 1.00 0.00 ATOM 2014 CD1 ILE A 248 -18.716 32.833 70.796 1.00 0.00 ATOM 2015 O ILE A 248 -22.127 33.179 75.498 1.00 0.00 ATOM 2016 C ILE A 248 -21.042 32.613 75.241 1.00 0.00 ATOM 2017 N ARG A 249 -20.757 31.371 75.636 1.00 0.00 ATOM 2018 CA ARG A 249 -21.721 30.528 76.302 1.00 0.00 ATOM 2019 CB ARG A 249 -21.203 29.092 76.392 1.00 0.00 ATOM 2020 CG ARG A 249 -21.003 28.418 75.044 1.00 0.00 ATOM 2021 CD ARG A 249 -22.333 28.037 74.415 1.00 0.00 ATOM 2022 NE ARG A 249 -22.163 27.452 73.087 1.00 0.00 ATOM 2023 CZ ARG A 249 -23.167 27.144 72.273 1.00 0.00 ATOM 2024 NH1 ARG A 249 -22.917 26.617 71.082 1.00 0.00 ATOM 2025 NH2 ARG A 249 -24.420 27.363 72.650 1.00 0.00 ATOM 2026 O ARG A 249 -23.079 30.620 78.285 1.00 0.00 ATOM 2027 C ARG A 249 -22.038 30.977 77.725 1.00 0.00 ATOM 2028 N ASN A 250 -21.177 31.769 78.357 1.00 0.00 ATOM 2029 CA ASN A 250 -21.395 32.260 79.718 1.00 0.00 ATOM 2030 CB ASN A 250 -20.189 33.073 80.195 1.00 0.00 ATOM 2031 CG ASN A 250 -18.988 32.205 80.510 1.00 0.00 ATOM 2032 ND2 ASN A 250 -17.808 32.814 80.532 1.00 0.00 ATOM 2033 OD1 ASN A 250 -19.122 31.001 80.732 1.00 0.00 ATOM 2034 O ASN A 250 -23.189 33.382 80.865 1.00 0.00 ATOM 2035 C ASN A 250 -22.630 33.156 79.779 1.00 0.00 ATOM 2036 N TRP A 251 -22.966 33.777 78.542 1.00 0.00 ATOM 2037 CA TRP A 251 -24.046 34.773 78.527 1.00 0.00 ATOM 2038 CB TRP A 251 -24.511 34.924 77.158 1.00 0.00 ATOM 2039 CG TRP A 251 -23.670 36.109 76.739 1.00 0.00 ATOM 2040 CD1 TRP A 251 -22.644 36.124 75.841 1.00 0.00 ATOM 2041 CD2 TRP A 251 -23.768 37.427 77.277 1.00 0.00 ATOM 2042 CE2 TRP A 251 -22.771 38.198 76.659 1.00 0.00 ATOM 2043 CE3 TRP A 251 -24.611 38.033 78.210 1.00 0.00 ATOM 2044 NE1 TRP A 251 -22.105 37.387 75.781 1.00 0.00 ATOM 2045 CZ2 TRP A 251 -22.585 39.558 76.928 1.00 0.00 ATOM 2046 CZ3 TRP A 251 -24.412 39.374 78.498 1.00 0.00 ATOM 2047 CH2 TRP A 251 -23.414 40.115 77.854 1.00 0.00 ATOM 2048 O TRP A 251 -25.657 33.007 78.633 1.00 0.00 ATOM 2049 C TRP A 251 -25.441 34.216 78.738 1.00 0.00 ATOM 2050 N ARG A 252 -26.382 35.097 79.104 1.00 0.00 ATOM 2051 CA ARG A 252 -27.745 34.678 79.430 1.00 0.00 ATOM 2052 CB ARG A 252 -28.586 35.881 79.861 1.00 0.00 ATOM 2053 CG ARG A 252 -28.210 36.449 81.219 1.00 0.00 ATOM 2054 CD ARG A 252 -29.024 37.690 81.545 1.00 0.00 ATOM 2055 NE ARG A 252 -28.657 38.262 82.838 1.00 0.00 ATOM 2056 CZ ARG A 252 -29.137 39.406 83.312 1.00 0.00 ATOM 2057 NH1 ARG A 252 -28.746 39.848 84.500 1.00 0.00 ATOM 2058 NH2 ARG A 252 -30.008 40.107 82.598 1.00 0.00 ATOM 2059 O ARG A 252 -29.298 33.151 78.481 1.00 0.00 ATOM 2060 C ARG A 252 -28.464 34.025 78.261 1.00 0.00 ATOM 2061 N ALA A 253 -28.162 34.449 77.029 1.00 0.00 ATOM 2062 CA ALA A 253 -28.793 33.809 75.812 1.00 0.00 ATOM 2063 CB ALA A 253 -28.170 34.360 74.539 1.00 0.00 ATOM 2064 O ALA A 253 -29.481 31.542 75.384 1.00 0.00 ATOM 2065 C ALA A 253 -28.604 32.304 75.812 1.00 0.00 ATOM 2066 N ASN A 254 -27.460 31.881 76.336 1.00 0.00 ATOM 2067 CA ASN A 254 -27.106 30.471 76.441 1.00 0.00 ATOM 2068 CB ASN A 254 -25.688 30.233 75.915 1.00 0.00 ATOM 2069 CG ASN A 254 -25.565 30.510 74.429 1.00 0.00 ATOM 2070 ND2 ASN A 254 -24.815 31.549 74.082 1.00 0.00 ATOM 2071 OD1 ASN A 254 -26.137 29.796 73.605 1.00 0.00 ATOM 2072 O ASN A 254 -26.549 28.889 78.153 1.00 0.00 ATOM 2073 C ASN A 254 -27.128 29.939 77.857 1.00 0.00 ATOM 2074 N GLN A 255 -27.839 30.636 78.732 1.00 0.00 ATOM 2075 CA GLN A 255 -28.102 30.164 80.082 1.00 0.00 ATOM 2076 CB GLN A 255 -28.889 28.852 80.039 1.00 0.00 ATOM 2077 CG GLN A 255 -30.241 28.962 79.353 1.00 0.00 ATOM 2078 CD GLN A 255 -31.193 29.888 80.086 1.00 0.00 ATOM 2079 OE1 GLN A 255 -31.275 29.863 81.315 1.00 0.00 ATOM 2080 NE2 GLN A 255 -31.915 30.708 79.334 1.00 0.00 ATOM 2081 O GLN A 255 -26.872 29.115 81.781 1.00 0.00 ATOM 2082 C GLN A 255 -26.855 29.912 80.857 1.00 0.00 ATOM 2083 N ALA A 256 -25.792 30.623 80.503 1.00 0.00 ATOM 2084 CA ALA A 256 -24.509 30.446 81.192 1.00 0.00 ATOM 2085 CB ALA A 256 -24.634 30.846 82.655 1.00 0.00 ATOM 2086 O ALA A 256 -23.173 28.685 82.128 1.00 0.00 ATOM 2087 C ALA A 256 -23.941 29.041 81.209 1.00 0.00 ENDMDL EXPDTA 2ivxA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2ivxA ATOM 1 N ALA A 1 -25.011 13.116 54.001 1.00 0.00 ATOM 2 CA ALA A 1 -24.108 13.676 52.949 1.00 0.00 ATOM 3 CB ALA A 1 -22.773 14.122 53.567 1.00 0.00 ATOM 4 O ALA A 1 -24.037 11.420 52.180 1.00 0.00 ATOM 5 C ALA A 1 -23.849 12.605 51.914 1.00 0.00 ATOM 6 N SER A 2 -23.398 13.033 50.738 1.00 0.00 ATOM 7 CA SER A 2 -22.891 12.117 49.736 1.00 0.00 ATOM 8 CB SER A 2 -22.589 12.877 48.439 1.00 0.00 ATOM 9 OG SER A 2 -23.770 13.460 47.916 1.00 0.00 ATOM 10 O SER A 2 -20.870 12.041 51.073 1.00 0.00 ATOM 11 C SER A 2 -21.623 11.441 50.276 1.00 0.00 ATOM 12 N SER A 3 -21.383 10.213 49.819 1.00 0.00 ATOM 13 CA SER A 3 -20.318 9.381 50.370 1.00 0.00 ATOM 14 CB SER A 3 -20.352 7.969 49.778 1.00 0.00 ATOM 15 OG SER A 3 -19.936 7.986 48.425 1.00 0.00 ATOM 16 O SER A 3 -18.035 9.689 50.985 1.00 0.00 ATOM 17 C SER A 3 -18.929 9.994 50.194 1.00 0.00 ATOM 18 N ARG A 4 -18.742 10.868 49.197 1.00 0.00 ATOM 19 CA ARG A 4 -17.441 11.516 49.005 1.00 0.00 ATOM 20 CB ARG A 4 -17.341 12.251 47.642 1.00 0.00 ATOM 21 CG ARG A 4 -18.210 13.518 47.500 1.00 0.00 ATOM 22 CD ARG A 4 -17.838 14.410 46.270 1.00 0.00 ATOM 23 NE ARG A 4 -16.595 15.168 46.464 1.00 0.00 ATOM 24 CZ ARG A 4 -16.248 16.282 45.807 1.00 0.00 ATOM 25 NH1 ARG A 4 -17.041 16.822 44.882 1.00 0.00 ATOM 26 NH2 ARG A 4 -15.089 16.880 46.084 1.00 0.00 ATOM 27 O ARG A 4 -15.935 12.895 50.269 1.00 0.00 ATOM 28 C ARG A 4 -17.085 12.466 50.161 1.00 0.00 ATOM 29 N TRP A 5 -18.054 12.781 51.027 1.00 0.00 ATOM 30 CA TRP A 5 -17.817 13.715 52.138 1.00 0.00 ATOM 31 CB TRP A 5 -18.915 14.799 52.186 1.00 0.00 ATOM 32 CG TRP A 5 -18.847 15.661 50.954 1.00 0.00 ATOM 33 CD1 TRP A 5 -19.783 15.771 49.971 1.00 0.00 ATOM 34 CD2 TRP A 5 -17.732 16.456 50.540 1.00 0.00 ATOM 35 CE2 TRP A 5 -18.069 17.042 49.297 1.00 0.00 ATOM 36 CE3 TRP A 5 -16.484 16.744 51.107 1.00 0.00 ATOM 37 NE1 TRP A 5 -19.329 16.612 48.972 1.00 0.00 ATOM 38 CZ2 TRP A 5 -17.202 17.903 48.613 1.00 0.00 ATOM 39 CZ3 TRP A 5 -15.627 17.600 50.434 1.00 0.00 ATOM 40 CH2 TRP A 5 -15.991 18.173 49.195 1.00 0.00 ATOM 41 O TRP A 5 -17.529 13.715 54.515 1.00 0.00 ATOM 42 C TRP A 5 -17.598 13.041 53.497 1.00 0.00 ATOM 43 N PHE A 6 -17.438 11.717 53.476 1.00 0.00 ATOM 44 CA PHE A 6 -16.872 10.992 54.602 1.00 0.00 ATOM 45 CB PHE A 6 -17.842 9.935 55.118 1.00 0.00 ATOM 46 CG PHE A 6 -19.137 10.521 55.559 1.00 0.00 ATOM 47 CD1 PHE A 6 -19.195 11.297 56.711 1.00 0.00 ATOM 48 CD2 PHE A 6 -20.287 10.358 54.798 1.00 0.00 ATOM 49 CE1 PHE A 6 -20.387 11.884 57.122 1.00 0.00 ATOM 50 CE2 PHE A 6 -21.487 10.940 55.203 1.00 0.00 ATOM 51 CZ PHE A 6 -21.535 11.700 56.366 1.00 0.00 ATOM 52 O PHE A 6 -15.408 9.853 53.076 1.00 0.00 ATOM 53 C PHE A 6 -15.538 10.404 54.176 1.00 0.00 ATOM 54 N PHE A 7 -14.558 10.551 55.061 1.00 0.00 ATOM 55 CA PHE A 7 -13.179 10.252 54.771 1.00 0.00 ATOM 56 CB PHE A 7 -12.347 11.531 54.865 1.00 0.00 ATOM 57 CG PHE A 7 -12.771 12.607 53.878 1.00 0.00 ATOM 58 CD1 PHE A 7 -12.095 12.772 52.673 1.00 0.00 ATOM 59 CD2 PHE A 7 -13.857 13.426 54.145 1.00 0.00 ATOM 60 CE1 PHE A 7 -12.488 13.747 51.760 1.00 0.00 ATOM 61 CE2 PHE A 7 -14.256 14.411 53.243 1.00 0.00 ATOM 62 CZ PHE A 7 -13.569 14.564 52.042 1.00 0.00 ATOM 63 O PHE A 7 -13.056 9.077 56.887 1.00 0.00 ATOM 64 C PHE A 7 -12.645 9.173 55.720 1.00 0.00 ATOM 65 N THR A 8 -11.737 8.357 55.189 1.00 0.00 ATOM 66 CA THR A 8 -11.038 7.332 55.953 1.00 0.00 ATOM 67 CB THR A 8 -10.407 6.269 55.001 1.00 0.00 ATOM 68 CG2 THR A 8 -11.484 5.604 54.155 1.00 0.00 ATOM 69 OG1 THR A 8 -9.458 6.901 54.131 1.00 0.00 ATOM 70 O THR A 8 -9.509 9.093 56.619 1.00 0.00 ATOM 71 C THR A 8 -9.925 7.937 56.812 1.00 0.00 ATOM 72 N ARG A 9 -9.445 7.142 57.764 1.00 0.00 ATOM 73 CA ARG A 9 -8.281 7.499 58.570 1.00 0.00 ATOM 74 CB ARG A 9 -7.891 6.333 59.491 1.00 0.00 ATOM 75 O ARG A 9 -6.443 8.893 57.903 1.00 0.00 ATOM 76 C ARG A 9 -7.092 7.871 57.677 1.00 0.00 ATOM 77 N GLU A 10 -6.827 7.044 56.665 1.00 0.00 ATOM 78 CA GLU A 10 -5.745 7.281 55.707 1.00 0.00 ATOM 79 CB GLU A 10 -5.691 6.162 54.664 1.00 0.00 ATOM 80 O GLU A 10 -4.919 9.333 54.757 1.00 0.00 ATOM 81 C GLU A 10 -5.903 8.620 54.986 1.00 0.00 ATOM 82 N GLN A 11 -7.138 8.936 54.607 1.00 0.00 ATOM 83 CA GLN A 11 -7.457 10.210 53.947 1.00 0.00 ATOM 84 CB GLN A 11 -8.888 10.194 53.427 1.00 0.00 ATOM 85 CG GLN A 11 -9.056 9.493 52.097 1.00 0.00 ATOM 86 CD GLN A 11 -10.512 9.430 51.696 1.00 0.00 ATOM 87 OE1 GLN A 11 -11.353 8.975 52.468 1.00 0.00 ATOM 88 NE2 GLN A 11 -10.823 9.906 50.497 1.00 0.00 ATOM 89 O GLN A 11 -6.836 12.470 54.446 1.00 0.00 ATOM 90 C GLN A 11 -7.278 11.410 54.871 1.00 0.00 ATOM 91 N LEU A 12 -7.623 11.232 56.144 1.00 0.00 ATOM 92 CA LEU A 12 -7.479 12.299 57.125 1.00 0.00 ATOM 93 CB LEU A 12 -8.329 11.986 58.350 1.00 0.00 ATOM 94 CG LEU A 12 -9.819 12.208 58.070 1.00 0.00 ATOM 95 CD1 LEU A 12 -10.696 11.625 59.170 1.00 0.00 ATOM 96 CD2 LEU A 12 -10.078 13.682 57.925 1.00 0.00 ATOM 97 O LEU A 12 -5.645 13.591 57.981 1.00 0.00 ATOM 98 C LEU A 12 -6.012 12.526 57.503 1.00 0.00 ATOM 99 N GLU A 13 -5.175 11.522 57.265 1.00 0.00 ATOM 100 CA GLU A 13 -3.737 11.656 57.496 1.00 0.00 ATOM 101 CB GLU A 13 -3.106 10.293 57.771 1.00 0.00 ATOM 102 CG GLU A 13 -3.519 9.693 59.108 1.00 0.00 ATOM 103 O GLU A 13 -2.350 13.302 56.443 1.00 0.00 ATOM 104 C GLU A 13 -3.067 12.318 56.294 1.00 0.00 ATOM 105 N ASN A 14 -3.313 11.770 55.110 1.00 0.00 ATOM 106 CA ASN A 14 -2.668 12.223 53.880 1.00 0.00 ATOM 107 CB ASN A 14 -2.443 11.034 52.937 1.00 0.00 ATOM 108 CG ASN A 14 -1.650 11.403 51.697 1.00 0.00 ATOM 109 ND2 ASN A 14 -1.887 10.674 50.615 1.00 0.00 ATOM 110 OD1 ASN A 14 -0.824 12.320 51.711 1.00 0.00 ATOM 111 O ASN A 14 -4.067 13.099 52.112 1.00 0.00 ATOM 112 C ASN A 14 -3.484 13.309 53.190 1.00 0.00 ATOM 113 N THR A 15 -3.490 14.481 53.819 1.00 0.00 ATOM 114 CA THR A 15 -4.271 15.618 53.355 1.00 0.00 ATOM 115 CB THR A 15 -4.734 16.484 54.533 1.00 0.00 ATOM 116 CG2 THR A 15 -5.594 15.683 55.508 1.00 0.00 ATOM 117 OG1 THR A 15 -3.586 16.997 55.219 1.00 0.00 ATOM 118 O THR A 15 -2.187 16.352 52.442 1.00 0.00 ATOM 119 C THR A 15 -3.406 16.500 52.454 1.00 0.00 ATOM 120 N PRO A 16 -4.032 17.440 51.724 1.00 0.00 ATOM 121 CA PRO A 16 -3.261 18.411 50.947 1.00 0.00 ATOM 122 CB PRO A 16 -4.347 19.337 50.384 1.00 0.00 ATOM 123 CG PRO A 16 -5.520 18.427 50.225 1.00 0.00 ATOM 124 CD PRO A 16 -5.481 17.630 51.514 1.00 0.00 ATOM 125 O PRO A 16 -1.116 19.389 51.331 1.00 0.00 ATOM 126 C PRO A 16 -2.250 19.183 51.781 1.00 0.00 ATOM 127 N SER A 17 -2.653 19.577 52.988 1.00 0.00 ATOM 128 CA SER A 17 -1.767 20.297 53.899 1.00 0.00 ATOM 129 CB SER A 17 -2.551 20.793 55.116 1.00 0.00 ATOM 130 OG SER A 17 -3.540 21.759 54.757 1.00 0.00 ATOM 131 O SER A 17 0.559 19.913 54.434 1.00 0.00 ATOM 132 C SER A 17 -0.576 19.424 54.342 1.00 0.00 ATOM 133 N ARG A 18 -0.823 18.142 54.614 1.00 0.00 ATOM 134 CA ARG A 18 0.276 17.213 54.956 1.00 0.00 ATOM 135 CB ARG A 18 -0.242 15.789 55.207 1.00 0.00 ATOM 136 CG ARG A 18 0.727 14.918 56.053 1.00 0.00 ATOM 137 CD ARG A 18 0.614 15.195 57.549 1.00 0.00 ATOM 138 NE ARG A 18 -0.762 14.968 57.982 1.00 0.00 ATOM 139 CZ ARG A 18 -1.671 15.912 58.228 1.00 0.00 ATOM 140 NH1 ARG A 18 -2.899 15.548 58.563 1.00 0.00 ATOM 141 NH2 ARG A 18 -1.363 17.207 58.186 1.00 0.00 ATOM 142 O ARG A 18 2.535 17.274 54.081 1.00 0.00 ATOM 143 C ARG A 18 1.323 17.184 53.838 1.00 0.00 ATOM 144 N ARG A 19 0.850 17.079 52.605 1.00 0.00 ATOM 145 CA ARG A 19 1.741 17.032 51.449 1.00 0.00 ATOM 146 CB ARG A 19 0.955 16.590 50.220 1.00 0.00 ATOM 147 CG ARG A 19 0.513 15.135 50.310 1.00 0.00 ATOM 148 CD ARG A 19 0.060 14.614 48.966 1.00 0.00 ATOM 149 NE ARG A 19 -1.093 15.365 48.473 1.00 0.00 ATOM 150 CZ ARG A 19 -2.352 15.167 48.854 1.00 0.00 ATOM 151 NH1 ARG A 19 -2.657 14.239 49.750 1.00 0.00 ATOM 152 NH2 ARG A 19 -3.325 15.910 48.334 1.00 0.00 ATOM 153 O ARG A 19 3.470 18.356 50.419 1.00 0.00 ATOM 154 C ARG A 19 2.499 18.342 51.190 1.00 0.00 ATOM 155 N CYS A 20 2.063 19.423 51.837 1.00 0.00 ATOM 156 CA CYS A 20 2.757 20.709 51.824 1.00 0.00 ATOM 157 CB CYS A 20 1.751 21.852 51.664 1.00 0.00 ATOM 158 SG CYS A 20 0.911 21.851 50.061 1.00 0.00 ATOM 159 O CYS A 20 4.121 22.031 53.297 1.00 0.00 ATOM 160 C CYS A 20 3.612 20.931 53.083 1.00 0.00 ATOM 161 N GLY A 21 3.788 19.884 53.893 1.00 0.00 ATOM 162 CA GLY A 21 4.692 19.926 55.042 1.00 0.00 ATOM 163 O GLY A 21 4.783 20.465 57.371 1.00 0.00 ATOM 164 C GLY A 21 4.065 20.312 56.373 1.00 0.00 ATOM 165 N VAL A 22 2.740 20.459 56.405 1.00 0.00 ATOM 166 CA VAL A 22 2.028 20.808 57.637 1.00 0.00 ATOM 167 CB VAL A 22 0.633 21.443 57.361 1.00 0.00 ATOM 168 CG1 VAL A 22 -0.053 21.849 58.671 1.00 0.00 ATOM 169 CG2 VAL A 22 0.752 22.650 56.427 1.00 0.00 ATOM 170 O VAL A 22 1.246 18.575 58.025 1.00 0.00 ATOM 171 C VAL A 22 1.846 19.551 58.477 1.00 0.00 ATOM 172 N GLU A 23 2.372 19.585 59.695 1.00 0.00 ATOM 173 CA GLU A 23 2.234 18.474 60.638 1.00 0.00 ATOM 174 CB GLU A 23 3.073 18.735 61.899 1.00 0.00 ATOM 175 CG GLU A 23 4.598 18.886 61.662 1.00 0.00 ATOM 176 CD GLU A 23 5.382 17.572 61.678 1.00 0.00 ATOM 177 OE1 GLU A 23 4.782 16.492 61.871 1.00 0.00 ATOM 178 OE2 GLU A 23 6.621 17.623 61.499 1.00 0.00 ATOM 179 O GLU A 23 -0.038 19.204 60.983 1.00 0.00 ATOM 180 C GLU A 23 0.760 18.267 61.007 1.00 0.00 ATOM 181 N ALA A 24 0.396 17.032 61.329 1.00 0.00 ATOM 182 CA ALA A 24 -1.000 16.696 61.620 1.00 0.00 ATOM 183 CB ALA A 24 -1.134 15.199 61.945 1.00 0.00 ATOM 184 O ALA A 24 -2.650 18.099 62.619 1.00 0.00 ATOM 185 C ALA A 24 -1.567 17.554 62.748 1.00 0.00 ATOM 186 N ASP A 25 -0.818 17.696 63.841 1.00 0.00 ATOM 187 CA ASP A 25 -1.290 18.512 64.954 1.00 0.00 ATOM 188 CB ASP A 25 -0.387 18.329 66.173 1.00 0.00 ATOM 189 CG ASP A 25 -0.574 16.970 66.833 1.00 0.00 ATOM 190 OD1 ASP A 25 -1.655 16.359 66.668 1.00 0.00 ATOM 191 OD2 ASP A 25 0.351 16.517 67.521 1.00 0.00 ATOM 192 O ASP A 25 -2.350 20.664 65.009 1.00 0.00 ATOM 193 C ASP A 25 -1.425 19.986 64.567 1.00 0.00 ATOM 194 N LYS A 26 -0.526 20.476 63.723 1.00 0.00 ATOM 195 CA LYS A 26 -0.620 21.866 63.260 1.00 0.00 ATOM 196 CB LYS A 26 0.643 22.286 62.496 1.00 0.00 ATOM 197 CG LYS A 26 0.594 23.713 61.933 1.00 0.00 ATOM 198 CD LYS A 26 0.503 24.749 63.038 1.00 0.00 ATOM 199 CE LYS A 26 0.691 26.168 62.510 1.00 0.00 ATOM 200 NZ LYS A 26 0.708 27.161 63.632 1.00 0.00 ATOM 201 O LYS A 26 -2.521 23.087 62.496 1.00 0.00 ATOM 202 C LYS A 26 -1.844 22.063 62.388 1.00 0.00 ATOM 203 N GLU A 27 -2.123 21.102 61.508 1.00 0.00 ATOM 204 CA GLU A 27 -3.337 21.170 60.687 1.00 0.00 ATOM 205 CB GLU A 27 -3.416 20.040 59.647 1.00 0.00 ATOM 206 CG GLU A 27 -4.580 20.235 58.672 1.00 0.00 ATOM 207 CD GLU A 27 -4.692 19.167 57.597 1.00 0.00 ATOM 208 OE1 GLU A 27 -5.746 19.138 56.926 1.00 0.00 ATOM 209 OE2 GLU A 27 -3.749 18.359 57.414 1.00 0.00 ATOM 210 O GLU A 27 -5.552 21.952 61.247 1.00 0.00 ATOM 211 C GLU A 27 -4.615 21.188 61.533 1.00 0.00 ATOM 212 N LEU A 28 -4.666 20.330 62.545 1.00 0.00 ATOM 213 CA LEU A 28 -5.788 20.326 63.475 1.00 0.00 ATOM 214 CB LEU A 28 -5.618 19.221 64.522 1.00 0.00 ATOM 215 CG LEU A 28 -6.757 19.115 65.545 1.00 0.00 ATOM 216 CD1 LEU A 28 -8.129 19.101 64.828 1.00 0.00 ATOM 217 CD2 LEU A 28 -6.548 17.894 66.445 1.00 0.00 ATOM 218 O LEU A 28 -7.034 22.250 64.209 1.00 0.00 ATOM 219 C LEU A 28 -5.936 21.698 64.147 1.00 0.00 ATOM 220 N SER A 29 -4.823 22.263 64.607 1.00 0.00 ATOM 221 CA SER A 29 -4.830 23.603 65.199 1.00 0.00 ATOM 222 CB SER A 29 -3.426 23.982 65.670 1.00 0.00 ATOM 223 OG SER A 29 -3.408 25.289 66.215 1.00 0.00 ATOM 224 O SER A 29 -6.167 25.524 64.617 1.00 0.00 ATOM 225 C SER A 29 -5.374 24.664 64.225 1.00 0.00 ATOM 226 N CYS A 30 -4.959 24.602 62.954 1.00 0.00 ATOM 227 CA CYS A 30 -5.494 25.514 61.916 1.00 0.00 ATOM 228 CB CYS A 30 -4.807 25.270 60.555 1.00 0.00 ATOM 229 SG CYS A 30 -3.071 25.799 60.485 1.00 0.00 ATOM 230 O CYS A 30 -7.712 26.403 61.693 1.00 0.00 ATOM 231 C CYS A 30 -7.008 25.398 61.768 1.00 0.00 ATOM 232 N ARG A 31 -7.522 24.172 61.714 1.00 0.00 ATOM 233 CA ARG A 31 -8.969 23.967 61.650 1.00 0.00 ATOM 234 CB ARG A 31 -9.308 22.472 61.530 1.00 0.00 ATOM 235 CG ARG A 31 -8.867 21.816 60.230 1.00 0.00 ATOM 236 CD ARG A 31 -9.095 20.282 60.257 1.00 0.00 ATOM 237 NE ARG A 31 -8.561 19.658 59.040 1.00 0.00 ATOM 238 CZ ARG A 31 -9.249 19.484 57.918 1.00 0.00 ATOM 239 NH1 ARG A 31 -10.535 19.850 57.834 1.00 0.00 ATOM 240 NH2 ARG A 31 -8.655 18.953 56.854 1.00 0.00 ATOM 241 O ARG A 31 -10.739 25.241 62.701 1.00 0.00 ATOM 242 C ARG A 31 -9.695 24.582 62.861 1.00 0.00 ATOM 243 N GLN A 32 -9.134 24.368 64.054 1.00 0.00 ATOM 244 CA GLN A 32 -9.724 24.845 65.311 1.00 0.00 ATOM 245 CB GLN A 32 -8.968 24.274 66.506 1.00 0.00 ATOM 246 CG GLN A 32 -9.051 22.744 66.648 1.00 0.00 ATOM 247 CD GLN A 32 -8.186 22.202 67.789 1.00 0.00 ATOM 248 OE1 GLN A 32 -7.207 22.840 68.219 1.00 0.00 ATOM 249 NE2 GLN A 32 -8.525 20.999 68.273 1.00 0.00 ATOM 250 O GLN A 32 -10.749 27.004 65.729 1.00 0.00 ATOM 251 C GLN A 32 -9.746 26.380 65.346 1.00 0.00 ATOM 252 N GLN A 33 -8.644 26.971 64.891 1.00 0.00 ATOM 253 CA GLN A 33 -8.517 28.425 64.792 1.00 0.00 ATOM 254 CB GLN A 33 -7.075 28.808 64.412 1.00 0.00 ATOM 255 CG GLN A 33 -6.044 28.590 65.503 1.00 0.00 ATOM 256 CD GLN A 33 -4.644 28.911 65.014 1.00 0.00 ATOM 257 OE1 GLN A 33 -4.392 30.007 64.494 1.00 0.00 ATOM 258 NE2 GLN A 33 -3.725 27.974 65.188 1.00 0.00 ATOM 259 O GLN A 33 -10.109 30.073 64.041 1.00 0.00 ATOM 260 C GLN A 33 -9.519 29.011 63.792 1.00 0.00 ATOM 261 N ALA A 34 -9.719 28.326 62.664 1.00 0.00 ATOM 262 CA ALA A 34 -10.701 28.742 61.672 1.00 0.00 ATOM 263 CB ALA A 34 -10.597 27.899 60.386 1.00 0.00 ATOM 264 O ALA A 34 -12.890 29.602 62.070 1.00 0.00 ATOM 265 C ALA A 34 -12.116 28.662 62.224 1.00 0.00 ATOM 266 N ALA A 35 -12.458 27.544 62.871 1.00 0.00 ATOM 267 CA ALA A 35 -13.783 27.421 63.508 1.00 0.00 ATOM 268 CB ALA A 35 -13.934 26.060 64.174 1.00 0.00 ATOM 269 O ALA A 35 -15.118 29.143 64.544 1.00 0.00 ATOM 270 C ALA A 35 -14.042 28.533 64.522 1.00 0.00 ATOM 271 N ASN A 36 -13.037 28.786 65.351 1.00 0.00 ATOM 272 CA ASN A 36 -13.106 29.847 66.311 1.00 0.00 ATOM 273 CB ASN A 36 -11.858 29.940 67.153 1.00 0.00 ATOM 274 CG ASN A 36 -12.052 30.876 68.314 1.00 0.00 ATOM 275 ND2 ASN A 36 -11.413 32.037 68.256 1.00 0.00 ATOM 276 OD1 ASN A 36 -12.813 30.577 69.237 1.00 0.00 ATOM 277 O ASN A 36 -14.142 31.973 66.209 1.00 0.00 ATOM 278 C ASN A 36 -13.360 31.202 65.677 1.00 0.00 ATOM 279 N LEU A 37 -12.702 31.484 64.553 1.00 0.00 ATOM 280 CA LEU A 37 -12.900 32.752 63.852 1.00 0.00 ATOM 281 CB LEU A 37 -11.834 32.935 62.751 1.00 0.00 ATOM 282 CG LEU A 37 -11.989 34.123 61.821 1.00 0.00 ATOM 283 CD1 LEU A 37 -11.941 35.434 62.628 1.00 0.00 ATOM 284 CD2 LEU A 37 -10.932 34.084 60.713 1.00 0.00 ATOM 285 O LEU A 37 -14.992 33.868 63.407 1.00 0.00 ATOM 286 C LEU A 37 -14.318 32.838 63.272 1.00 0.00 ATOM 287 N ILE A 38 -14.757 31.751 62.632 1.00 0.00 ATOM 288 CA ILE A 38 -16.073 31.664 62.017 1.00 0.00 ATOM 289 CB ILE A 38 -16.292 30.282 61.282 1.00 0.00 ATOM 290 CG1 ILE A 38 -15.410 30.188 60.028 1.00 0.00 ATOM 291 CG2 ILE A 38 -17.770 30.070 60.873 1.00 0.00 ATOM 292 CD1 ILE A 38 -15.224 28.737 59.515 1.00 0.00 ATOM 293 O ILE A 38 -18.091 32.629 62.910 1.00 0.00 ATOM 294 C ILE A 38 -17.141 31.903 63.117 1.00 0.00 ATOM 295 N GLN A 39 -16.942 31.314 64.283 1.00 0.00 ATOM 296 CA GLN A 39 -17.846 31.524 65.433 1.00 0.00 ATOM 297 CB GLN A 39 -17.398 30.644 66.618 1.00 0.00 ATOM 298 CG GLN A 39 -18.339 30.624 67.832 1.00 0.00 ATOM 299 CD GLN A 39 -19.668 29.898 67.595 1.00 0.00 ATOM 300 OE1 GLN A 39 -19.695 28.739 67.163 1.00 0.00 ATOM 301 NE2 GLN A 39 -20.772 30.550 67.949 1.00 0.00 ATOM 302 O GLN A 39 -19.000 33.562 66.010 1.00 0.00 ATOM 303 C GLN A 39 -17.909 32.985 65.859 1.00 0.00 ATOM 304 N GLU A 40 -16.745 33.604 66.030 1.00 0.00 ATOM 305 CA GLU A 40 -16.693 34.991 66.479 1.00 0.00 ATOM 306 CB GLU A 40 -15.262 35.401 66.807 1.00 0.00 ATOM 307 CG GLU A 40 -14.677 34.658 68.034 1.00 0.00 ATOM 308 CD GLU A 40 -15.285 35.064 69.379 1.00 0.00 ATOM 309 OE1 GLU A 40 -15.806 36.201 69.527 1.00 0.00 ATOM 310 OE2 GLU A 40 -15.223 34.227 70.311 1.00 0.00 ATOM 311 O GLU A 40 -18.115 36.827 65.778 1.00 0.00 ATOM 312 C GLU A 40 -17.336 35.918 65.432 1.00 0.00 ATOM 313 N MET A 41 -17.005 35.684 64.159 1.00 0.00 ATOM 314 CA MET A 41 -17.558 36.475 63.072 1.00 0.00 ATOM 315 CB MET A 41 -16.914 36.078 61.733 1.00 0.00 ATOM 316 CG MET A 41 -15.447 36.474 61.606 1.00 0.00 ATOM 317 SD MET A 41 -14.755 35.996 60.004 1.00 0.00 ATOM 318 CE MET A 41 -15.922 36.781 58.898 1.00 0.00 ATOM 319 O MET A 41 -19.788 37.334 62.822 1.00 0.00 ATOM 320 C MET A 41 -19.067 36.334 62.964 1.00 0.00 ATOM 321 N GLY A 42 -19.536 35.092 63.006 1.00 0.00 ATOM 322 CA GLY A 42 -20.967 34.795 62.959 1.00 0.00 ATOM 323 O GLY A 42 -22.813 36.082 63.763 1.00 0.00 ATOM 324 C GLY A 42 -21.758 35.497 64.041 1.00 0.00 ATOM 325 N GLN A 43 -21.226 35.458 65.265 1.00 0.00 ATOM 326 CA GLN A 43 -21.799 36.158 66.403 1.00 0.00 ATOM 327 CB GLN A 43 -20.937 35.912 67.657 1.00 0.00 ATOM 328 CG GLN A 43 -21.237 34.548 68.278 1.00 0.00 ATOM 329 CD GLN A 43 -20.250 34.078 69.335 1.00 0.00 ATOM 330 OE1 GLN A 43 -20.322 32.928 69.760 1.00 0.00 ATOM 331 NE2 GLN A 43 -19.343 34.948 69.771 1.00 0.00 ATOM 332 O GLN A 43 -23.005 38.244 66.316 1.00 0.00 ATOM 333 C GLN A 43 -21.941 37.654 66.121 1.00 0.00 ATOM 334 N ARG A 44 -20.876 38.258 65.612 1.00 0.00 ATOM 335 CA ARG A 44 -20.889 39.681 65.272 1.00 0.00 ATOM 336 CB ARG A 44 -19.481 40.140 64.910 1.00 0.00 ATOM 337 CG ARG A 44 -18.568 40.277 66.108 1.00 0.00 ATOM 338 CD ARG A 44 -17.155 40.531 65.680 1.00 0.00 ATOM 339 NE ARG A 44 -16.207 40.552 66.807 1.00 0.00 ATOM 340 CZ ARG A 44 -15.680 41.636 67.366 1.00 0.00 ATOM 341 NH1 ARG A 44 -15.995 42.862 66.945 1.00 0.00 ATOM 342 NH2 ARG A 44 -14.820 41.496 68.375 1.00 0.00 ATOM 343 O ARG A 44 -22.447 41.121 64.141 1.00 0.00 ATOM 344 C ARG A 44 -21.865 40.035 64.144 1.00 0.00 ATOM 345 N LEU A 45 -22.024 39.110 63.199 1.00 0.00 ATOM 346 CA LEU A 45 -22.965 39.230 62.091 1.00 0.00 ATOM 347 CB LEU A 45 -22.535 38.310 60.945 1.00 0.00 ATOM 348 CG LEU A 45 -21.279 38.665 60.155 1.00 0.00 ATOM 349 CD1 LEU A 45 -20.796 37.439 59.375 1.00 0.00 ATOM 350 CD2 LEU A 45 -21.527 39.887 59.238 1.00 0.00 ATOM 351 O LEU A 45 -25.341 39.048 61.719 1.00 0.00 ATOM 352 C LEU A 45 -24.404 38.898 62.509 1.00 0.00 ATOM 353 N ASN A 46 -24.586 38.463 63.758 1.00 0.00 ATOM 354 CA ASN A 46 -25.892 38.063 64.274 1.00 0.00 ATOM 355 CB ASN A 46 -26.817 39.278 64.424 1.00 0.00 ATOM 356 CG ASN A 46 -27.999 38.986 65.329 1.00 0.00 ATOM 357 ND2 ASN A 46 -29.221 39.274 64.855 1.00 0.00 ATOM 358 OD1 ASN A 46 -27.817 38.497 66.442 1.00 0.00 ATOM 359 O ASN A 46 -27.769 37.006 63.197 1.00 0.00 ATOM 360 C ASN A 46 -26.569 36.973 63.425 1.00 0.00 ATOM 361 N VAL A 47 -25.793 36.011 62.951 1.00 0.00 ATOM 362 CA VAL A 47 -26.366 34.847 62.260 1.00 0.00 ATOM 363 CB VAL A 47 -25.511 34.373 61.062 1.00 0.00 ATOM 364 CG1 VAL A 47 -24.141 33.861 61.512 1.00 0.00 ATOM 365 CG2 VAL A 47 -25.367 35.517 60.037 1.00 0.00 ATOM 366 O VAL A 47 -26.030 33.749 64.381 1.00 0.00 ATOM 367 C VAL A 47 -26.597 33.733 63.285 1.00 0.00 ATOM 368 N SER A 48 -27.447 32.786 62.913 1.00 0.00 ATOM 369 CA SER A 48 -27.804 31.672 63.782 1.00 0.00 ATOM 370 CB SER A 48 -28.942 30.882 63.153 1.00 0.00 ATOM 371 OG SER A 48 -28.539 30.276 61.939 1.00 0.00 ATOM 372 O SER A 48 -25.673 30.666 63.239 1.00 0.00 ATOM 373 C SER A 48 -26.608 30.745 64.035 1.00 0.00 ATOM 374 N GLN A 49 -26.647 30.009 65.135 1.00 0.00 ATOM 375 CA GLN A 49 -25.632 28.986 65.341 1.00 0.00 ATOM 376 CB GLN A 49 -25.822 28.274 66.685 1.00 0.00 ATOM 377 CG GLN A 49 -24.669 27.347 67.038 1.00 0.00 ATOM 378 CD GLN A 49 -23.330 28.061 67.206 1.00 0.00 ATOM 379 OE1 GLN A 49 -23.257 29.123 67.826 1.00 0.00 ATOM 380 NE2 GLN A 49 -22.260 27.460 66.669 1.00 0.00 ATOM 381 O GLN A 49 -24.555 27.466 63.857 1.00 0.00 ATOM 382 C GLN A 49 -25.617 27.961 64.211 1.00 0.00 ATOM 383 N LEU A 50 -26.789 27.632 63.658 1.00 0.00 ATOM 384 CA LEU A 50 -26.872 26.778 62.463 1.00 0.00 ATOM 385 CB LEU A 50 -28.318 26.687 61.976 1.00 0.00 ATOM 386 CG LEU A 50 -28.561 26.037 60.597 1.00 0.00 ATOM 387 CD1 LEU A 50 -27.929 24.647 60.561 1.00 0.00 ATOM 388 CD2 LEU A 50 -30.031 25.964 60.271 1.00 0.00 ATOM 389 O LEU A 50 -25.248 26.502 60.713 1.00 0.00 ATOM 390 C LEU A 50 -25.979 27.275 61.320 1.00 0.00 ATOM 391 N THR A 51 -26.113 28.552 60.979 1.00 0.00 ATOM 392 CA THR A 51 -25.300 29.194 59.929 1.00 0.00 ATOM 393 CB THR A 51 -25.671 30.680 59.808 1.00 0.00 ATOM 394 CG2 THR A 51 -24.712 31.422 58.836 1.00 0.00 ATOM 395 OG1 THR A 51 -27.024 30.785 59.331 1.00 0.00 ATOM 396 O THR A 51 -23.013 28.676 59.291 1.00 0.00 ATOM 397 C THR A 51 -23.791 29.055 60.180 1.00 0.00 ATOM 398 N ILE A 52 -23.391 29.325 61.417 1.00 0.00 ATOM 399 CA ILE A 52 -22.018 29.147 61.871 1.00 0.00 ATOM 400 CB ILE A 52 -21.865 29.603 63.336 1.00 0.00 ATOM 401 CG1 ILE A 52 -22.069 31.134 63.438 1.00 0.00 ATOM 402 CG2 ILE A 52 -20.503 29.185 63.891 1.00 0.00 ATOM 403 CD1 ILE A 52 -22.197 31.678 64.858 1.00 0.00 ATOM 404 O ILE A 52 -20.483 27.449 61.138 1.00 0.00 ATOM 405 C ILE A 52 -21.557 27.693 61.700 1.00 0.00 ATOM 406 N ASN A 53 -22.375 26.750 62.155 1.00 0.00 ATOM 407 CA ASN A 53 -22.038 25.324 62.048 1.00 0.00 ATOM 408 CB ASN A 53 -23.102 24.436 62.719 1.00 0.00 ATOM 409 CG ASN A 53 -23.179 24.624 64.233 1.00 0.00 ATOM 410 ND2 ASN A 53 -24.252 24.105 64.835 1.00 0.00 ATOM 411 OD1 ASN A 53 -22.291 25.212 64.858 1.00 0.00 ATOM 412 O ASN A 53 -20.857 24.279 60.251 1.00 0.00 ATOM 413 C ASN A 53 -21.837 24.938 60.584 1.00 0.00 ATOM 414 N THR A 54 -22.753 25.377 59.712 1.00 0.00 ATOM 415 CA THR A 54 -22.655 25.097 58.273 1.00 0.00 ATOM 416 CB THR A 54 -23.911 25.657 57.523 1.00 0.00 ATOM 417 CG2 THR A 54 -23.771 25.534 56.008 1.00 0.00 ATOM 418 OG1 THR A 54 -25.067 24.941 57.944 1.00 0.00 ATOM 419 O THR A 54 -20.624 24.897 56.947 1.00 0.00 ATOM 420 C THR A 54 -21.337 25.620 57.670 1.00 0.00 ATOM 421 N ALA A 55 -20.987 26.862 58.011 1.00 0.00 ATOM 422 CA ALA A 55 -19.731 27.474 57.560 1.00 0.00 ATOM 423 CB ALA A 55 -19.672 28.906 57.997 1.00 0.00 ATOM 424 O ALA A 55 -17.549 26.457 57.335 1.00 0.00 ATOM 425 C ALA A 55 -18.504 26.675 58.073 1.00 0.00 ATOM 426 N ILE A 56 -18.563 26.189 59.306 1.00 0.00 ATOM 427 CA ILE A 56 -17.448 25.390 59.841 1.00 0.00 ATOM 428 CB ILE A 56 -17.600 25.112 61.347 1.00 0.00 ATOM 429 CG1 ILE A 56 -17.445 26.406 62.151 1.00 0.00 ATOM 430 CG2 ILE A 56 -16.548 24.035 61.818 1.00 0.00 ATOM 431 CD1 ILE A 56 -17.807 26.259 63.657 1.00 0.00 ATOM 432 O ILE A 56 -16.164 23.671 58.774 1.00 0.00 ATOM 433 C ILE A 56 -17.290 24.086 59.049 1.00 0.00 ATOM 434 N VAL A 57 -18.400 23.426 58.714 1.00 0.00 ATOM 435 CA VAL A 57 -18.342 22.205 57.855 1.00 0.00 ATOM 436 CB VAL A 57 -19.680 21.443 57.762 1.00 0.00 ATOM 437 CG1 VAL A 57 -19.572 20.243 56.804 1.00 0.00 ATOM 438 CG2 VAL A 57 -20.131 20.970 59.146 1.00 0.00 ATOM 439 O VAL A 57 -17.014 21.771 55.909 1.00 0.00 ATOM 440 C VAL A 57 -17.806 22.532 56.449 1.00 0.00 ATOM 441 N TYR A 58 -18.250 23.631 55.834 1.00 0.00 ATOM 442 CA TYR A 58 -17.662 24.051 54.548 1.00 0.00 ATOM 443 CB TYR A 58 -18.217 25.379 54.058 1.00 0.00 ATOM 444 CG TYR A 58 -19.689 25.433 53.690 1.00 0.00 ATOM 445 CD1 TYR A 58 -20.455 24.280 53.477 1.00 0.00 ATOM 446 CD2 TYR A 58 -20.295 26.665 53.471 1.00 0.00 ATOM 447 CE1 TYR A 58 -21.801 24.375 53.137 1.00 0.00 ATOM 448 CE2 TYR A 58 -21.622 26.762 53.118 1.00 0.00 ATOM 449 CZ TYR A 58 -22.376 25.617 52.961 1.00 0.00 ATOM 450 OH TYR A 58 -23.707 25.733 52.598 1.00 0.00 ATOM 451 O TYR A 58 -15.393 23.776 53.789 1.00 0.00 ATOM 452 C TYR A 58 -16.141 24.202 54.672 1.00 0.00 ATOM 453 N MET A 59 -15.687 24.821 55.757 1.00 0.00 ATOM 454 CA MET A 59 -14.251 25.007 55.991 1.00 0.00 ATOM 455 CB MET A 59 -14.027 25.841 57.267 1.00 0.00 ATOM 456 CG MET A 59 -12.548 26.078 57.654 1.00 0.00 ATOM 457 SD MET A 59 -11.758 24.690 58.521 1.00 0.00 ATOM 458 CE MET A 59 -12.709 24.542 60.038 1.00 0.00 ATOM 459 O MET A 59 -12.543 23.412 55.388 1.00 0.00 ATOM 460 C MET A 59 -13.545 23.651 56.074 1.00 0.00 ATOM 461 N HIS A 60 -14.080 22.751 56.900 1.00 0.00 ATOM 462 CA HIS A 60 -13.465 21.420 57.056 1.00 0.00 ATOM 463 CB HIS A 60 -14.238 20.546 58.060 1.00 0.00 ATOM 464 CG HIS A 60 -13.937 20.815 59.518 1.00 0.00 ATOM 465 CD2 HIS A 60 -14.764 21.116 60.544 1.00 0.00 ATOM 466 ND1 HIS A 60 -12.688 20.636 60.082 1.00 0.00 ATOM 467 CE1 HIS A 60 -12.752 20.887 61.381 1.00 0.00 ATOM 468 NE2 HIS A 60 -14.002 21.188 61.688 1.00 0.00 ATOM 469 O HIS A 60 -12.366 20.075 55.393 1.00 0.00 ATOM 470 C HIS A 60 -13.391 20.699 55.708 1.00 0.00 ATOM 471 N ARG A 61 -14.471 20.728 54.923 1.00 0.00 ATOM 472 CA ARG A 61 -14.497 20.040 53.630 1.00 0.00 ATOM 473 CB ARG A 61 -15.918 20.011 53.058 1.00 0.00 ATOM 474 CG ARG A 61 -16.843 19.090 53.858 1.00 0.00 ATOM 475 CD ARG A 61 -18.232 19.067 53.283 1.00 0.00 ATOM 476 NE ARG A 61 -19.048 18.083 54.023 1.00 0.00 ATOM 477 CZ ARG A 61 -20.308 17.800 53.713 1.00 0.00 ATOM 478 NH1 ARG A 61 -20.896 18.412 52.685 1.00 0.00 ATOM 479 NH2 ARG A 61 -20.977 16.889 54.413 1.00 0.00 ATOM 480 O ARG A 61 -12.829 19.954 51.892 1.00 0.00 ATOM 481 C ARG A 61 -13.538 20.668 52.613 1.00 0.00 ATOM 482 N PHE A 62 -13.535 21.999 52.560 1.00 0.00 ATOM 483 CA PHE A 62 -12.641 22.756 51.674 1.00 0.00 ATOM 484 CB PHE A 62 -12.739 24.257 51.936 1.00 0.00 ATOM 485 CG PHE A 62 -11.920 25.079 50.987 1.00 0.00 ATOM 486 CD1 PHE A 62 -12.454 25.517 49.786 1.00 0.00 ATOM 487 CD2 PHE A 62 -10.602 25.382 51.273 1.00 0.00 ATOM 488 CE1 PHE A 62 -11.687 26.259 48.905 1.00 0.00 ATOM 489 CE2 PHE A 62 -9.825 26.128 50.397 1.00 0.00 ATOM 490 CZ PHE A 62 -10.361 26.561 49.213 1.00 0.00 ATOM 491 O PHE A 62 -10.528 22.004 50.894 1.00 0.00 ATOM 492 C PHE A 62 -11.206 22.281 51.864 1.00 0.00 ATOM 493 N TYR A 63 -10.784 22.134 53.120 1.00 0.00 ATOM 494 CA TYR A 63 -9.406 21.738 53.432 1.00 0.00 ATOM 495 CB TYR A 63 -8.986 22.331 54.769 1.00 0.00 ATOM 496 CG TYR A 63 -8.707 23.822 54.664 1.00 0.00 ATOM 497 CD1 TYR A 63 -7.659 24.301 53.883 1.00 0.00 ATOM 498 CD2 TYR A 63 -9.504 24.761 55.335 1.00 0.00 ATOM 499 CE1 TYR A 63 -7.381 25.677 53.791 1.00 0.00 ATOM 500 CE2 TYR A 63 -9.231 26.143 55.246 1.00 0.00 ATOM 501 CZ TYR A 63 -8.180 26.588 54.481 1.00 0.00 ATOM 502 OH TYR A 63 -7.919 27.940 54.415 1.00 0.00 ATOM 503 O TYR A 63 -7.953 19.794 53.576 1.00 0.00 ATOM 504 C TYR A 63 -9.092 20.227 53.330 1.00 0.00 ATOM 505 N MET A 64 -10.067 19.435 52.899 1.00 0.00 ATOM 506 CA MET A 64 -9.773 18.090 52.412 1.00 0.00 ATOM 507 CB MET A 64 -10.985 17.168 52.592 1.00 0.00 ATOM 508 CG MET A 64 -11.350 16.892 54.024 1.00 0.00 ATOM 509 SD MET A 64 -9.950 16.337 55.032 1.00 0.00 ATOM 510 CE MET A 64 -9.548 14.742 54.315 1.00 0.00 ATOM 511 O MET A 64 -8.858 17.066 50.442 1.00 0.00 ATOM 512 C MET A 64 -9.301 18.098 50.952 1.00 0.00 ATOM 513 N HIS A 65 -9.371 19.257 50.295 1.00 0.00 ATOM 514 CA HIS A 65 -9.032 19.384 48.873 1.00 0.00 ATOM 515 CB HIS A 65 -10.314 19.610 48.079 1.00 0.00 ATOM 516 CG HIS A 65 -11.230 18.431 48.127 1.00 0.00 ATOM 517 CD2 HIS A 65 -12.293 18.158 48.918 1.00 0.00 ATOM 518 ND1 HIS A 65 -11.043 17.322 47.335 1.00 0.00 ATOM 519 CE1 HIS A 65 -11.963 16.419 47.626 1.00 0.00 ATOM 520 NE2 HIS A 65 -12.734 16.902 48.580 1.00 0.00 ATOM 521 O HIS A 65 -7.467 20.478 47.435 1.00 0.00 ATOM 522 C HIS A 65 -7.994 20.450 48.551 1.00 0.00 ATOM 523 N HIS A 66 -7.690 21.292 49.534 1.00 0.00 ATOM 524 CA HIS A 66 -6.725 22.381 49.404 1.00 0.00 ATOM 525 CB HIS A 66 -7.441 23.717 49.178 1.00 0.00 ATOM 526 CG HIS A 66 -8.401 23.717 48.031 1.00 0.00 ATOM 527 CD2 HIS A 66 -9.746 23.577 47.995 1.00 0.00 ATOM 528 ND1 HIS A 66 -8.000 23.918 46.726 1.00 0.00 ATOM 529 CE1 HIS A 66 -9.062 23.891 45.939 1.00 0.00 ATOM 530 NE2 HIS A 66 -10.133 23.688 46.689 1.00 0.00 ATOM 531 O HIS A 66 -6.373 22.097 51.775 1.00 0.00 ATOM 532 C HIS A 66 -5.910 22.483 50.697 1.00 0.00 ATOM 533 N SER A 67 -4.702 23.020 50.578 1.00 0.00 ATOM 534 CA SER A 67 -3.780 23.173 51.709 1.00 0.00 ATOM 535 CB SER A 67 -2.339 23.069 51.214 1.00 0.00 ATOM 536 OG SER A 67 -1.384 23.317 52.239 1.00 0.00 ATOM 537 O SER A 67 -4.174 25.548 51.797 1.00 0.00 ATOM 538 C SER A 67 -3.957 24.512 52.434 1.00 0.00 ATOM 539 N PHE A 68 -3.806 24.476 53.760 1.00 0.00 ATOM 540 CA PHE A 68 -3.651 25.680 54.577 1.00 0.00 ATOM 541 CB PHE A 68 -3.546 25.321 56.065 1.00 0.00 ATOM 542 CG PHE A 68 -4.861 24.947 56.690 1.00 0.00 ATOM 543 CD1 PHE A 68 -5.793 25.926 57.018 1.00 0.00 ATOM 544 CD2 PHE A 68 -5.176 23.615 56.945 1.00 0.00 ATOM 545 CE1 PHE A 68 -7.000 25.591 57.585 1.00 0.00 ATOM 546 CE2 PHE A 68 -6.391 23.268 57.508 1.00 0.00 ATOM 547 CZ PHE A 68 -7.311 24.256 57.828 1.00 0.00 ATOM 548 O PHE A 68 -2.458 27.750 54.478 1.00 0.00 ATOM 549 C PHE A 68 -2.464 26.558 54.174 1.00 0.00 ATOM 550 N THR A 69 -1.468 25.984 53.496 1.00 0.00 ATOM 551 CA THR A 69 -0.307 26.761 53.023 1.00 0.00 ATOM 552 CB THR A 69 0.918 25.861 52.685 1.00 0.00 ATOM 553 CG2 THR A 69 1.328 25.000 53.884 1.00 0.00 ATOM 554 OG1 THR A 69 0.631 25.023 51.554 1.00 0.00 ATOM 555 O THR A 69 0.051 28.598 51.519 1.00 0.00 ATOM 556 C THR A 69 -0.639 27.607 51.790 1.00 0.00 ATOM 557 N LYS A 70 -1.678 27.216 51.053 1.00 0.00 ATOM 558 CA LYS A 70 -2.074 27.889 49.810 1.00 0.00 ATOM 559 CB LYS A 70 -2.445 26.854 48.744 1.00 0.00 ATOM 560 CG LYS A 70 -2.823 27.479 47.396 1.00 0.00 ATOM 561 CD LYS A 70 -2.191 26.781 46.220 1.00 0.00 ATOM 562 CE LYS A 70 -2.559 27.468 44.908 1.00 0.00 ATOM 563 NZ LYS A 70 -1.772 26.962 43.751 1.00 0.00 ATOM 564 O LYS A 70 -3.267 29.942 49.413 1.00 0.00 ATOM 565 C LYS A 70 -3.239 28.853 50.006 1.00 0.00 ATOM 566 N PHE A 71 -4.221 28.440 50.799 1.00 0.00 ATOM 567 CA PHE A 71 -5.378 29.279 51.078 1.00 0.00 ATOM 568 CB PHE A 71 -6.692 28.588 50.700 1.00 0.00 ATOM 569 CG PHE A 71 -6.850 28.328 49.220 1.00 0.00 ATOM 570 CD1 PHE A 71 -7.435 29.273 48.388 1.00 0.00 ATOM 571 CD2 PHE A 71 -6.442 27.130 48.674 1.00 0.00 ATOM 572 CE1 PHE A 71 -7.580 29.027 47.012 1.00 0.00 ATOM 573 CE2 PHE A 71 -6.576 26.877 47.312 1.00 0.00 ATOM 574 CZ PHE A 71 -7.160 27.828 46.486 1.00 0.00 ATOM 575 O PHE A 71 -5.527 28.737 53.411 1.00 0.00 ATOM 576 C PHE A 71 -5.393 29.618 52.555 1.00 0.00 ATOM 577 N ASN A 72 -5.293 30.914 52.841 1.00 0.00 ATOM 578 CA ASN A 72 -5.287 31.407 54.218 1.00 0.00 ATOM 579 CB ASN A 72 -5.047 32.912 54.208 1.00 0.00 ATOM 580 CG ASN A 72 -4.651 33.436 55.550 1.00 0.00 ATOM 581 ND2 ASN A 72 -3.497 34.100 55.612 1.00 0.00 ATOM 582 OD1 ASN A 72 -5.370 33.257 56.526 1.00 0.00 ATOM 583 O ASN A 72 -7.677 31.396 54.419 1.00 0.00 ATOM 584 C ASN A 72 -6.605 31.083 54.927 1.00 0.00 ATOM 585 N LYS A 73 -6.525 30.459 56.095 1.00 0.00 ATOM 586 CA LYS A 73 -7.728 30.114 56.869 1.00 0.00 ATOM 587 CB LYS A 73 -7.365 29.359 58.154 1.00 0.00 ATOM 588 CG LYS A 73 -6.456 30.091 59.091 1.00 0.00 ATOM 589 CD LYS A 73 -6.311 29.339 60.398 1.00 0.00 ATOM 590 CE LYS A 73 -5.006 29.590 61.133 1.00 0.00 ATOM 591 NZ LYS A 73 -4.469 30.993 61.106 1.00 0.00 ATOM 592 O LYS A 73 -9.829 31.190 57.342 1.00 0.00 ATOM 593 C LYS A 73 -8.612 31.324 57.194 1.00 0.00 ATOM 594 N ASN A 74 -8.010 32.505 57.304 1.00 0.00 ATOM 595 CA ASN A 74 -8.782 33.716 57.592 1.00 0.00 ATOM 596 CB ASN A 74 -7.859 34.875 57.936 1.00 0.00 ATOM 597 CG ASN A 74 -7.100 34.643 59.214 1.00 0.00 ATOM 598 ND2 ASN A 74 -5.983 35.340 59.368 1.00 0.00 ATOM 599 OD1 ASN A 74 -7.505 33.832 60.054 1.00 0.00 ATOM 600 O ASN A 74 -10.896 34.440 56.691 1.00 0.00 ATOM 601 C ASN A 74 -9.728 34.097 56.452 1.00 0.00 ATOM 602 N ILE A 75 -9.227 34.041 55.218 1.00 0.00 ATOM 603 CA ILE A 75 -10.029 34.367 54.041 1.00 0.00 ATOM 604 CB ILE A 75 -9.128 34.695 52.804 1.00 0.00 ATOM 605 CG1 ILE A 75 -9.958 35.242 51.640 1.00 0.00 ATOM 606 CG2 ILE A 75 -8.328 33.491 52.343 1.00 0.00 ATOM 607 CD1 ILE A 75 -10.565 36.580 51.898 1.00 0.00 ATOM 608 O ILE A 75 -12.167 33.554 53.371 1.00 0.00 ATOM 609 C ILE A 75 -11.046 33.265 53.740 1.00 0.00 ATOM 610 N ILE A 76 -10.649 31.998 53.917 1.00 0.00 ATOM 611 CA ILE A 76 -11.604 30.885 53.734 1.00 0.00 ATOM 612 CB ILE A 76 -10.895 29.490 53.684 1.00 0.00 ATOM 613 CG1 ILE A 76 -9.930 29.431 52.504 1.00 0.00 ATOM 614 CG2 ILE A 76 -11.908 28.357 53.617 1.00 0.00 ATOM 615 CD1 ILE A 76 -10.499 29.866 51.151 1.00 0.00 ATOM 616 O ILE A 76 -13.878 30.614 54.470 1.00 0.00 ATOM 617 C ILE A 76 -12.722 30.919 54.791 1.00 0.00 ATOM 618 N SER A 77 -12.403 31.319 56.028 1.00 0.00 ATOM 619 CA SER A 77 -13.436 31.510 57.059 1.00 0.00 ATOM 620 CB SER A 77 -12.844 31.946 58.399 1.00 0.00 ATOM 621 OG SER A 77 -12.035 30.938 59.004 1.00 0.00 ATOM 622 O SER A 77 -15.689 32.318 56.678 1.00 0.00 ATOM 623 C SER A 77 -14.480 32.554 56.565 1.00 0.00 ATOM 624 N SER A 78 -14.012 33.680 56.027 1.00 0.00 ATOM 625 CA SER A 78 -14.929 34.706 55.472 1.00 0.00 ATOM 626 CB SER A 78 -14.182 35.947 54.969 1.00 0.00 ATOM 627 OG SER A 78 -13.608 36.683 56.042 1.00 0.00 ATOM 628 O SER A 78 -16.977 34.489 54.249 1.00 0.00 ATOM 629 C SER A 78 -15.789 34.174 54.337 1.00 0.00 ATOM 630 N THR A 79 -15.166 33.396 53.465 1.00 0.00 ATOM 631 CA THR A 79 -15.813 32.851 52.277 1.00 0.00 ATOM 632 CB THR A 79 -14.778 32.106 51.370 1.00 0.00 ATOM 633 CG2 THR A 79 -15.458 31.514 50.130 1.00 0.00 ATOM 634 OG1 THR A 79 -13.745 33.015 50.932 1.00 0.00 ATOM 635 O THR A 79 -18.076 32.000 52.320 1.00 0.00 ATOM 636 C THR A 79 -16.919 31.901 52.750 1.00 0.00 ATOM 637 N ALA A 80 -16.540 31.018 53.669 1.00 0.00 ATOM 638 CA ALA A 80 -17.438 29.982 54.187 1.00 0.00 ATOM 639 CB ALA A 80 -16.696 29.111 55.164 1.00 0.00 ATOM 640 O ALA A 80 -19.817 30.196 54.589 1.00 0.00 ATOM 641 C ALA A 80 -18.674 30.623 54.833 1.00 0.00 ATOM 642 N LEU A 81 -18.452 31.672 55.631 1.00 0.00 ATOM 643 CA LEU A 81 -19.562 32.380 56.298 1.00 0.00 ATOM 644 CB LEU A 81 -19.034 33.321 57.381 1.00 0.00 ATOM 645 CG LEU A 81 -19.959 33.653 58.526 1.00 0.00 ATOM 646 CD1 LEU A 81 -20.585 32.396 59.165 1.00 0.00 ATOM 647 CD2 LEU A 81 -19.205 34.473 59.549 1.00 0.00 ATOM 648 O LEU A 81 -21.655 33.136 55.444 1.00 0.00 ATOM 649 C LEU A 81 -20.444 33.157 55.330 1.00 0.00 ATOM 650 N PHE A 82 -19.833 33.836 54.369 1.00 0.00 ATOM 651 CA PHE A 82 -20.591 34.557 53.340 1.00 0.00 ATOM 652 CB PHE A 82 -19.621 35.244 52.382 1.00 0.00 ATOM 653 CG PHE A 82 -20.286 35.987 51.272 1.00 0.00 ATOM 654 CD1 PHE A 82 -21.071 37.104 51.546 1.00 0.00 ATOM 655 CD2 PHE A 82 -20.115 35.601 49.947 1.00 0.00 ATOM 656 CE1 PHE A 82 -21.677 37.824 50.537 1.00 0.00 ATOM 657 CE2 PHE A 82 -20.733 36.312 48.930 1.00 0.00 ATOM 658 CZ PHE A 82 -21.526 37.420 49.228 1.00 0.00 ATOM 659 O PHE A 82 -22.717 33.888 52.420 1.00 0.00 ATOM 660 C PHE A 82 -21.533 33.598 52.604 1.00 0.00 ATOM 661 N LEU A 83 -21.012 32.436 52.226 1.00 0.00 ATOM 662 CA LEU A 83 -21.799 31.421 51.521 1.00 0.00 ATOM 663 CB LEU A 83 -20.872 30.329 50.980 1.00 0.00 ATOM 664 CG LEU A 83 -21.529 29.170 50.223 1.00 0.00 ATOM 665 CD1 LEU A 83 -22.350 29.662 49.024 1.00 0.00 ATOM 666 CD2 LEU A 83 -20.467 28.168 49.768 1.00 0.00 ATOM 667 O LEU A 83 -24.053 30.737 52.044 1.00 0.00 ATOM 668 C LEU A 83 -22.884 30.809 52.431 1.00 0.00 ATOM 669 N ALA A 84 -22.478 30.383 53.624 1.00 0.00 ATOM 670 CA ALA A 84 -23.379 29.765 54.603 1.00 0.00 ATOM 671 CB ALA A 84 -22.623 29.447 55.883 1.00 0.00 ATOM 672 O ALA A 84 -25.716 30.183 55.031 1.00 0.00 ATOM 673 C ALA A 84 -24.583 30.650 54.926 1.00 0.00 ATOM 674 N ALA A 85 -24.322 31.935 55.110 1.00 0.00 ATOM 675 CA ALA A 85 -25.381 32.878 55.456 1.00 0.00 ATOM 676 CB ALA A 85 -24.778 34.244 55.791 1.00 0.00 ATOM 677 O ALA A 85 -27.629 33.028 54.620 1.00 0.00 ATOM 678 C ALA A 85 -26.428 32.967 54.337 1.00 0.00 ATOM 679 N LYS A 86 -26.001 32.939 53.073 1.00 0.00 ATOM 680 CA LYS A 86 -26.949 32.904 51.953 1.00 0.00 ATOM 681 CB LYS A 86 -26.246 33.168 50.617 1.00 0.00 ATOM 682 CG LYS A 86 -25.801 34.628 50.480 1.00 0.00 ATOM 683 CD LYS A 86 -25.244 34.946 49.102 1.00 0.00 ATOM 684 CE LYS A 86 -23.942 34.294 48.824 1.00 0.00 ATOM 685 NZ LYS A 86 -23.457 34.721 47.466 1.00 0.00 ATOM 686 O LYS A 86 -28.952 31.599 51.782 1.00 0.00 ATOM 687 C LYS A 86 -27.733 31.593 51.906 1.00 0.00 ATOM 688 N VAL A 87 -27.021 30.478 52.039 1.00 0.00 ATOM 689 CA VAL A 87 -27.611 29.144 52.007 1.00 0.00 ATOM 690 CB VAL A 87 -26.507 28.056 52.115 1.00 0.00 ATOM 691 CG1 VAL A 87 -27.108 26.693 52.354 1.00 0.00 ATOM 692 CG2 VAL A 87 -25.574 28.074 50.882 1.00 0.00 ATOM 693 O VAL A 87 -29.734 28.417 52.864 1.00 0.00 ATOM 694 C VAL A 87 -28.651 28.955 53.119 1.00 0.00 ATOM 695 N GLU A 88 -28.354 29.442 54.320 1.00 0.00 ATOM 696 CA GLU A 88 -29.264 29.304 55.468 1.00 0.00 ATOM 697 CB GLU A 88 -28.477 29.155 56.774 1.00 0.00 ATOM 698 CG GLU A 88 -27.474 27.979 56.827 1.00 0.00 ATOM 699 CD GLU A 88 -28.101 26.580 56.830 1.00 0.00 ATOM 700 OE1 GLU A 88 -29.345 26.440 56.698 1.00 0.00 ATOM 701 OE2 GLU A 88 -27.319 25.607 56.912 1.00 0.00 ATOM 702 O GLU A 88 -30.901 30.677 56.626 1.00 0.00 ATOM 703 C GLU A 88 -30.297 30.460 55.567 1.00 0.00 ATOM 704 N GLU A 89 -30.489 31.178 54.459 1.00 0.00 ATOM 705 CA GLU A 89 -31.521 32.228 54.329 1.00 0.00 ATOM 706 CB GLU A 89 -32.934 31.608 54.354 1.00 0.00 ATOM 707 O GLU A 89 -32.385 33.858 55.884 1.00 0.00 ATOM 708 C GLU A 89 -31.392 33.368 55.363 1.00 0.00 ATOM 709 N GLN A 90 -30.159 33.771 55.653 1.00 0.00 ATOM 710 CA GLN A 90 -29.892 34.998 56.422 1.00 0.00 ATOM 711 CB GLN A 90 -29.828 34.749 57.926 1.00 0.00 ATOM 712 CG GLN A 90 -29.125 33.504 58.395 1.00 0.00 ATOM 713 CD GLN A 90 -29.262 33.303 59.909 1.00 0.00 ATOM 714 OE1 GLN A 90 -28.447 32.626 60.521 1.00 0.00 ATOM 715 NE2 GLN A 90 -30.269 33.912 60.511 1.00 0.00 ATOM 716 O GLN A 90 -27.613 35.846 56.517 1.00 0.00 ATOM 717 C GLN A 90 -28.648 35.680 55.863 1.00 0.00 ATOM 718 N ALA A 91 -28.798 36.044 54.594 1.00 0.00 ATOM 719 CA ALA A 91 -27.727 36.605 53.807 1.00 0.00 ATOM 720 CB ALA A 91 -28.213 36.887 52.390 1.00 0.00 ATOM 721 O ALA A 91 -27.913 38.684 55.019 1.00 0.00 ATOM 722 C ALA A 91 -27.175 37.876 54.439 1.00 0.00 ATOM 723 N ARG A 92 -25.857 38.011 54.342 1.00 0.00 ATOM 724 CA ARG A 92 -25.143 39.168 54.832 1.00 0.00 ATOM 725 CB ARG A 92 -24.216 38.757 55.983 1.00 0.00 ATOM 726 CG ARG A 92 -24.950 38.276 57.252 1.00 0.00 ATOM 727 CD ARG A 92 -25.741 39.406 57.913 1.00 0.00 ATOM 728 NE ARG A 92 -26.431 38.991 59.153 1.00 0.00 ATOM 729 CZ ARG A 92 -27.678 38.518 59.214 1.00 0.00 ATOM 730 NH1 ARG A 92 -28.441 38.405 58.124 1.00 0.00 ATOM 731 NH2 ARG A 92 -28.198 38.192 60.395 1.00 0.00 ATOM 732 O ARG A 92 -23.877 38.968 52.792 1.00 0.00 ATOM 733 C ARG A 92 -24.354 39.735 53.656 1.00 0.00 ATOM 734 N LYS A 93 -24.243 41.064 53.612 1.00 0.00 ATOM 735 CA LYS A 93 -23.478 41.741 52.558 1.00 0.00 ATOM 736 CB LYS A 93 -23.686 43.255 52.616 1.00 0.00 ATOM 737 CG LYS A 93 -25.103 43.687 52.268 1.00 0.00 ATOM 738 CD LYS A 93 -25.366 45.128 52.690 1.00 0.00 ATOM 739 O LYS A 93 -21.459 41.197 53.750 1.00 0.00 ATOM 740 C LYS A 93 -21.989 41.406 52.650 1.00 0.00 ATOM 741 N LEU A 94 -21.321 41.333 51.500 1.00 0.00 ATOM 742 CA LEU A 94 -19.883 41.005 51.477 1.00 0.00 ATOM 743 CB LEU A 94 -19.367 40.906 50.034 1.00 0.00 ATOM 744 CG LEU A 94 -17.915 40.406 49.891 1.00 0.00 ATOM 745 CD1 LEU A 94 -17.476 40.471 48.435 1.00 0.00 ATOM 746 CD2 LEU A 94 -17.725 38.998 50.445 1.00 0.00 ATOM 747 O LEU A 94 -18.149 41.684 53.043 1.00 0.00 ATOM 748 C LEU A 94 -19.079 42.043 52.295 1.00 0.00 ATOM 749 N GLU A 95 -19.481 43.306 52.201 1.00 0.00 ATOM 750 CA GLU A 95 -18.846 44.387 52.969 1.00 0.00 ATOM 751 CB GLU A 95 -19.467 45.738 52.614 1.00 0.00 ATOM 752 CG GLU A 95 -18.914 46.925 53.420 1.00 0.00 ATOM 753 CD GLU A 95 -19.461 48.263 52.976 1.00 0.00 ATOM 754 OE1 GLU A 95 -19.772 48.441 51.773 1.00 0.00 ATOM 755 OE2 GLU A 95 -19.562 49.166 53.835 1.00 0.00 ATOM 756 O GLU A 95 -18.044 44.404 55.230 1.00 0.00 ATOM 757 C GLU A 95 -18.972 44.143 54.479 1.00 0.00 ATOM 758 N HIS A 96 -20.135 43.661 54.906 1.00 0.00 ATOM 759 CA HIS A 96 -20.384 43.365 56.328 1.00 0.00 ATOM 760 CB HIS A 96 -21.856 42.999 56.538 1.00 0.00 ATOM 761 CG HIS A 96 -22.303 43.034 57.969 1.00 0.00 ATOM 762 CD2 HIS A 96 -21.685 43.473 59.092 1.00 0.00 ATOM 763 ND1 HIS A 96 -23.541 42.576 58.370 1.00 0.00 ATOM 764 CE1 HIS A 96 -23.665 42.729 59.677 1.00 0.00 ATOM 765 NE2 HIS A 96 -22.556 43.278 60.140 1.00 0.00 ATOM 766 O HIS A 96 -18.805 42.336 57.834 1.00 0.00 ATOM 767 C HIS A 96 -19.465 42.230 56.801 1.00 0.00 ATOM 768 N VAL A 97 -19.419 41.147 56.035 1.00 0.00 ATOM 769 CA VAL A 97 -18.522 40.025 56.351 1.00 0.00 ATOM 770 CB VAL A 97 -18.696 38.849 55.362 1.00 0.00 ATOM 771 CG1 VAL A 97 -17.730 37.708 55.708 1.00 0.00 ATOM 772 CG2 VAL A 97 -20.184 38.359 55.363 1.00 0.00 ATOM 773 O VAL A 97 -16.327 40.071 57.346 1.00 0.00 ATOM 774 C VAL A 97 -17.051 40.449 56.419 1.00 0.00 ATOM 775 N ILE A 98 -16.612 41.246 55.453 1.00 0.00 ATOM 776 CA ILE A 98 -15.232 41.691 55.410 1.00 0.00 ATOM 777 CB ILE A 98 -14.961 42.469 54.101 1.00 0.00 ATOM 778 CG1 ILE A 98 -14.932 41.473 52.923 1.00 0.00 ATOM 779 CG2 ILE A 98 -13.668 43.218 54.187 1.00 0.00 ATOM 780 CD1 ILE A 98 -14.842 42.133 51.520 1.00 0.00 ATOM 781 O ILE A 98 -13.839 42.381 57.260 1.00 0.00 ATOM 782 C ILE A 98 -14.882 42.564 56.633 1.00 0.00 ATOM 783 N LYS A 99 -15.782 43.467 56.984 1.00 0.00 ATOM 784 CA LYS A 99 -15.552 44.372 58.103 1.00 0.00 ATOM 785 CB LYS A 99 -16.573 45.501 58.102 1.00 0.00 ATOM 786 CG LYS A 99 -16.304 46.547 57.018 1.00 0.00 ATOM 787 CD LYS A 99 -17.309 47.671 57.073 1.00 0.00 ATOM 788 CE LYS A 99 -16.915 48.792 56.145 1.00 0.00 ATOM 789 NZ LYS A 99 -17.890 49.904 56.204 1.00 0.00 ATOM 790 O LYS A 99 -14.818 43.962 60.343 1.00 0.00 ATOM 791 C LYS A 99 -15.578 43.632 59.441 1.00 0.00 ATOM 792 N VAL A 100 -16.481 42.672 59.582 1.00 0.00 ATOM 793 CA VAL A 100 -16.501 41.813 60.773 1.00 0.00 ATOM 794 CB VAL A 100 -17.793 40.938 60.806 1.00 0.00 ATOM 795 CG1 VAL A 100 -17.642 39.750 61.717 1.00 0.00 ATOM 796 CG2 VAL A 100 -18.983 41.795 61.231 1.00 0.00 ATOM 797 O VAL A 100 -14.647 40.857 62.013 1.00 0.00 ATOM 798 C VAL A 100 -15.206 40.973 60.912 1.00 0.00 ATOM 799 N ALA A 101 -14.717 40.400 59.808 1.00 0.00 ATOM 800 CA ALA A 101 -13.456 39.649 59.830 1.00 0.00 ATOM 801 CB ALA A 101 -13.127 39.044 58.437 1.00 0.00 ATOM 802 O ALA A 101 -11.488 40.176 61.159 1.00 0.00 ATOM 803 C ALA A 101 -12.319 40.576 60.307 1.00 0.00 ATOM 804 N HIS A 102 -12.293 41.805 59.770 1.00 0.00 ATOM 805 CA HIS A 102 -11.310 42.822 60.155 1.00 0.00 ATOM 806 CB HIS A 102 -11.513 44.084 59.300 1.00 0.00 ATOM 807 CG HIS A 102 -10.487 45.152 59.520 1.00 0.00 ATOM 808 CD2 HIS A 102 -10.553 46.325 60.194 1.00 0.00 ATOM 809 ND1 HIS A 102 -9.213 45.084 58.993 1.00 0.00 ATOM 810 CE1 HIS A 102 -8.542 46.173 59.330 1.00 0.00 ATOM 811 NE2 HIS A 102 -9.331 46.942 60.058 1.00 0.00 ATOM 812 O HIS A 102 -10.364 43.258 62.341 1.00 0.00 ATOM 813 C HIS A 102 -11.387 43.168 61.663 1.00 0.00 ATOM 814 N ALA A 103 -12.607 43.315 62.178 1.00 0.00 ATOM 815 CA ALA A 103 -12.844 43.591 63.613 1.00 0.00 ATOM 816 CB ALA A 103 -14.342 43.841 63.867 1.00 0.00 ATOM 817 O ALA A 103 -11.842 42.697 65.607 1.00 0.00 ATOM 818 C ALA A 103 -12.336 42.448 64.504 1.00 0.00 ATOM 819 N CYS A 104 -12.457 41.211 64.013 1.00 0.00 ATOM 820 CA CYS A 104 -12.030 40.008 64.736 1.00 0.00 ATOM 821 CB CYS A 104 -12.722 38.751 64.168 1.00 0.00 ATOM 822 SG CYS A 104 -14.470 38.592 64.548 1.00 0.00 ATOM 823 O CYS A 104 -9.917 39.469 65.746 1.00 0.00 ATOM 824 C CYS A 104 -10.513 39.800 64.715 1.00 0.00 ATOM 825 N LEU A 105 -9.896 40.017 63.548 1.00 0.00 ATOM 826 CA LEU A 105 -8.468 39.735 63.340 1.00 0.00 ATOM 827 CB LEU A 105 -8.246 39.236 61.904 1.00 0.00 ATOM 828 CG LEU A 105 -8.895 37.912 61.512 1.00 0.00 ATOM 829 CD1 LEU A 105 -8.913 37.727 59.994 1.00 0.00 ATOM 830 CD2 LEU A 105 -8.220 36.720 62.194 1.00 0.00 ATOM 831 O LEU A 105 -6.413 40.797 64.032 1.00 0.00 ATOM 832 C LEU A 105 -7.564 40.939 63.592 1.00 0.00 ATOM 833 N HIS A 106 -8.086 42.132 63.319 1.00 0.00 ATOM 834 CA HIS A 106 -7.290 43.348 63.348 1.00 0.00 ATOM 835 CB HIS A 106 -6.986 43.782 61.915 1.00 0.00 ATOM 836 CG HIS A 106 -6.356 42.710 61.084 1.00 0.00 ATOM 837 CD2 HIS A 106 -6.820 42.020 60.018 1.00 0.00 ATOM 838 ND1 HIS A 106 -5.081 42.239 61.322 1.00 0.00 ATOM 839 CE1 HIS A 106 -4.800 41.286 60.447 1.00 0.00 ATOM 840 NE2 HIS A 106 -5.833 41.145 59.638 1.00 0.00 ATOM 841 O HIS A 106 -8.136 45.590 63.607 1.00 0.00 ATOM 842 C HIS A 106 -7.989 44.476 64.121 1.00 0.00 ATOM 843 N PRO A 107 -8.393 44.192 65.374 1.00 0.00 ATOM 844 CA PRO A 107 -9.117 45.163 66.182 1.00 0.00 ATOM 845 CB PRO A 107 -9.274 44.451 67.537 1.00 0.00 ATOM 846 CG PRO A 107 -8.207 43.444 67.573 1.00 0.00 ATOM 847 CD PRO A 107 -8.160 42.953 66.139 1.00 0.00 ATOM 848 O PRO A 107 -9.009 47.507 66.513 1.00 0.00 ATOM 849 C PRO A 107 -8.369 46.471 66.363 1.00 0.00 ATOM 850 N LEU A 108 -7.031 46.437 66.370 1.00 0.00 ATOM 851 CA LEU A 108 -6.231 47.649 66.612 1.00 0.00 ATOM 852 CB LEU A 108 -5.013 47.327 67.492 1.00 0.00 ATOM 853 CG LEU A 108 -5.298 46.611 68.814 1.00 0.00 ATOM 854 CD1 LEU A 108 -4.038 46.586 69.663 1.00 0.00 ATOM 855 CD2 LEU A 108 -6.471 47.250 69.582 1.00 0.00 ATOM 856 O LEU A 108 -5.137 49.421 65.428 1.00 0.00 ATOM 857 C LEU A 108 -5.777 48.382 65.341 1.00 0.00 ATOM 858 N GLU A 109 -6.104 47.844 64.172 1.00 0.00 ATOM 859 CA GLU A 109 -5.857 48.548 62.912 1.00 0.00 ATOM 860 CB GLU A 109 -5.828 47.558 61.753 1.00 0.00 ATOM 861 CG GLU A 109 -4.641 46.614 61.785 1.00 0.00 ATOM 862 CD GLU A 109 -3.318 47.340 61.693 1.00 0.00 ATOM 863 OE1 GLU A 109 -3.241 48.374 60.993 1.00 0.00 ATOM 864 OE2 GLU A 109 -2.347 46.889 62.334 1.00 0.00 ATOM 865 O GLU A 109 -8.038 49.472 63.257 1.00 0.00 ATOM 866 C GLU A 109 -6.956 49.585 62.678 1.00 0.00 ATOM 867 N PRO A 110 -6.702 50.579 61.806 1.00 0.00 ATOM 868 CA PRO A 110 -7.793 51.521 61.541 1.00 0.00 ATOM 869 CB PRO A 110 -7.146 52.572 60.631 1.00 0.00 ATOM 870 CG PRO A 110 -5.654 52.393 60.817 1.00 0.00 ATOM 871 CD PRO A 110 -5.511 50.907 61.003 1.00 0.00 ATOM 872 O PRO A 110 -8.688 49.751 60.224 1.00 0.00 ATOM 873 C PRO A 110 -8.918 50.808 60.807 1.00 0.00 ATOM 874 N LEU A 111 -10.113 51.388 60.839 1.00 0.00 ATOM 875 CA LEU A 111 -11.265 50.832 60.135 1.00 0.00 ATOM 876 CB LEU A 111 -12.531 51.631 60.478 1.00 0.00 ATOM 877 CG LEU A 111 -12.980 51.538 61.944 1.00 0.00 ATOM 878 CD1 LEU A 111 -14.102 52.538 62.237 1.00 0.00 ATOM 879 CD2 LEU A 111 -13.397 50.125 62.306 1.00 0.00 ATOM 880 O LEU A 111 -10.244 51.701 58.144 1.00 0.00 ATOM 881 C LEU A 111 -11.002 50.854 58.632 1.00 0.00 ATOM 882 N LEU A 112 -11.629 49.930 57.909 1.00 0.00 ATOM 883 CA LEU A 112 -11.371 49.741 56.476 1.00 0.00 ATOM 884 CB LEU A 112 -11.989 48.423 55.972 1.00 0.00 ATOM 885 CG LEU A 112 -11.353 47.103 56.429 1.00 0.00 ATOM 886 CD1 LEU A 112 -12.120 45.918 55.861 1.00 0.00 ATOM 887 CD2 LEU A 112 -9.878 46.999 56.045 1.00 0.00 ATOM 888 O LEU A 112 -13.013 51.394 55.878 1.00 0.00 ATOM 889 C LEU A 112 -11.908 50.900 55.636 1.00 0.00 ATOM 890 N ASP A 113 -11.100 51.337 54.669 1.00 0.00 ATOM 891 CA ASP A 113 -11.527 52.310 53.667 1.00 0.00 ATOM 892 CB ASP A 113 -10.336 53.159 53.208 1.00 0.00 ATOM 893 CG ASP A 113 -10.744 54.341 52.333 1.00 0.00 ATOM 894 OD1 ASP A 113 -9.890 55.216 52.107 1.00 0.00 ATOM 895 OD2 ASP A 113 -11.907 54.412 51.885 1.00 0.00 ATOM 896 O ASP A 113 -11.425 50.837 51.766 1.00 0.00 ATOM 897 C ASP A 113 -12.133 51.521 52.499 1.00 0.00 ATOM 898 N THR A 114 -13.451 51.623 52.354 1.00 0.00 ATOM 899 CA THR A 114 -14.208 50.919 51.321 1.00 0.00 ATOM 900 CB THR A 114 -15.728 51.081 51.589 1.00 0.00 ATOM 901 CG2 THR A 114 -16.539 51.051 50.306 1.00 0.00 ATOM 902 OG1 THR A 114 -16.157 50.018 52.450 1.00 0.00 ATOM 903 O THR A 114 -14.030 50.571 48.940 1.00 0.00 ATOM 904 C THR A 114 -13.867 51.349 49.885 1.00 0.00 ATOM 905 N LYS A 115 -13.369 52.573 49.737 1.00 0.00 ATOM 906 CA LYS A 115 -13.093 53.148 48.423 1.00 0.00 ATOM 907 CB LYS A 115 -13.345 54.662 48.462 1.00 0.00 ATOM 908 CG LYS A 115 -14.827 55.050 48.504 1.00 0.00 ATOM 909 CD LYS A 115 -15.531 54.569 49.766 1.00 0.00 ATOM 910 O LYS A 115 -11.355 53.199 46.768 1.00 0.00 ATOM 911 C LYS A 115 -11.673 52.866 47.910 1.00 0.00 ATOM 912 N CYS A 116 -10.827 52.259 48.739 1.00 0.00 ATOM 913 CA CYS A 116 -9.419 52.066 48.389 1.00 0.00 ATOM 914 CB CYS A 116 -8.547 52.107 49.646 1.00 0.00 ATOM 915 SG CYS A 116 -8.441 50.555 50.536 1.00 0.00 ATOM 916 O CYS A 116 -9.945 49.793 47.786 1.00 0.00 ATOM 917 C CYS A 116 -9.185 50.756 47.636 1.00 0.00 ATOM 918 N ASP A 117 -8.117 50.730 46.841 1.00 0.00 ATOM 919 CA ASP A 117 -7.792 49.585 45.977 1.00 0.00 ATOM 920 CB ASP A 117 -6.544 49.908 45.137 1.00 0.00 ATOM 921 O ASP A 117 -7.956 47.191 46.230 1.00 0.00 ATOM 922 C ASP A 117 -7.592 48.260 46.735 1.00 0.00 ATOM 923 N ALA A 118 -7.020 48.332 47.938 1.00 0.00 ATOM 924 CA ALA A 118 -6.777 47.142 48.753 1.00 0.00 ATOM 925 CB ALA A 118 -5.922 47.487 49.963 1.00 0.00 ATOM 926 O ALA A 118 -8.202 45.265 49.210 1.00 0.00 ATOM 927 C ALA A 118 -8.083 46.499 49.204 1.00 0.00 ATOM 928 N TYR A 119 -9.054 47.330 49.588 1.00 0.00 ATOM 929 CA TYR A 119 -10.384 46.834 49.947 1.00 0.00 ATOM 930 CB TYR A 119 -11.251 47.929 50.600 1.00 0.00 ATOM 931 CG TYR A 119 -12.682 47.471 50.813 1.00 0.00 ATOM 932 CD1 TYR A 119 -13.073 46.836 51.994 1.00 0.00 ATOM 933 CD2 TYR A 119 -13.630 47.622 49.804 1.00 0.00 ATOM 934 CE1 TYR A 119 -14.389 46.384 52.167 1.00 0.00 ATOM 935 CE2 TYR A 119 -14.931 47.181 49.961 1.00 0.00 ATOM 936 CZ TYR A 119 -15.310 46.561 51.140 1.00 0.00 ATOM 937 OH TYR A 119 -16.613 46.132 51.270 1.00 0.00 ATOM 938 O TYR A 119 -11.675 45.190 48.761 1.00 0.00 ATOM 939 C TYR A 119 -11.086 46.266 48.708 1.00 0.00 ATOM 940 N LEU A 120 -11.028 46.992 47.597 1.00 0.00 ATOM 941 CA LEU A 120 -11.640 46.522 46.354 1.00 0.00 ATOM 942 CB LEU A 120 -11.449 47.544 45.224 1.00 0.00 ATOM 943 CG LEU A 120 -12.161 48.891 45.426 1.00 0.00 ATOM 944 CD1 LEU A 120 -11.877 49.866 44.270 1.00 0.00 ATOM 945 CD2 LEU A 120 -13.667 48.702 45.618 1.00 0.00 ATOM 946 O LEU A 120 -11.822 44.252 45.555 1.00 0.00 ATOM 947 C LEU A 120 -11.073 45.148 45.959 1.00 0.00 ATOM 948 N GLN A 121 -9.762 44.970 46.114 1.00 0.00 ATOM 949 CA GLN A 121 -9.115 43.703 45.758 1.00 0.00 ATOM 950 CB GLN A 121 -7.592 43.857 45.742 1.00 0.00 ATOM 951 O GLN A 121 -9.727 41.421 46.186 1.00 0.00 ATOM 952 C GLN A 121 -9.530 42.543 46.670 1.00 0.00 ATOM 953 N GLN A 122 -9.683 42.772 47.975 1.00 0.00 ATOM 954 CA GLN A 122 -10.166 41.670 48.820 1.00 0.00 ATOM 955 CB GLN A 122 -9.863 41.858 50.320 1.00 0.00 ATOM 956 CG GLN A 122 -10.770 42.758 51.122 1.00 0.00 ATOM 957 CD GLN A 122 -10.288 42.897 52.566 1.00 0.00 ATOM 958 OE1 GLN A 122 -9.889 43.983 52.997 1.00 0.00 ATOM 959 NE2 GLN A 122 -10.320 41.793 53.318 1.00 0.00 ATOM 960 O GLN A 122 -12.028 40.166 48.664 1.00 0.00 ATOM 961 C GLN A 122 -11.637 41.326 48.523 1.00 0.00 ATOM 962 N THR A 123 -12.429 42.296 48.060 1.00 0.00 ATOM 963 CA THR A 123 -13.798 41.978 47.625 1.00 0.00 ATOM 964 CB THR A 123 -14.711 43.217 47.408 1.00 0.00 ATOM 965 CG2 THR A 123 -14.622 44.170 48.595 1.00 0.00 ATOM 966 OG1 THR A 123 -14.369 43.908 46.200 1.00 0.00 ATOM 967 O THR A 123 -14.498 40.095 46.309 1.00 0.00 ATOM 968 C THR A 123 -13.769 41.087 46.377 1.00 0.00 ATOM 969 N ARG A 124 -12.896 41.415 45.423 1.00 0.00 ATOM 970 CA ARG A 124 -12.731 40.608 44.214 1.00 0.00 ATOM 971 CB ARG A 124 -11.853 41.337 43.190 1.00 0.00 ATOM 972 CG ARG A 124 -12.537 42.588 42.620 1.00 0.00 ATOM 973 CD ARG A 124 -11.865 43.148 41.374 1.00 0.00 ATOM 974 NE ARG A 124 -10.887 44.202 41.674 1.00 0.00 ATOM 975 CZ ARG A 124 -9.565 44.031 41.768 1.00 0.00 ATOM 976 NH1 ARG A 124 -9.004 42.833 41.599 1.00 0.00 ATOM 977 NH2 ARG A 124 -8.790 45.074 42.045 1.00 0.00 ATOM 978 O ARG A 124 -12.692 38.213 43.984 1.00 0.00 ATOM 979 C ARG A 124 -12.195 39.200 44.526 1.00 0.00 ATOM 980 N GLU A 125 -11.222 39.102 45.429 1.00 0.00 ATOM 981 CA GLU A 125 -10.695 37.795 45.856 1.00 0.00 ATOM 982 CB GLU A 125 -9.525 37.993 46.827 1.00 0.00 ATOM 983 CG GLU A 125 -8.841 36.700 47.273 1.00 0.00 ATOM 984 CD GLU A 125 -7.747 36.945 48.308 1.00 0.00 ATOM 985 OE1 GLU A 125 -8.010 37.621 49.328 1.00 0.00 ATOM 986 OE2 GLU A 125 -6.620 36.457 48.100 1.00 0.00 ATOM 987 O GLU A 125 -11.836 35.704 46.222 1.00 0.00 ATOM 988 C GLU A 125 -11.768 36.910 46.493 1.00 0.00 ATOM 989 N LEU A 126 -12.591 37.503 47.359 1.00 0.00 ATOM 990 CA LEU A 126 -13.664 36.771 48.019 1.00 0.00 ATOM 991 CB LEU A 126 -14.322 37.646 49.082 1.00 0.00 ATOM 992 CG LEU A 126 -13.495 37.717 50.369 1.00 0.00 ATOM 993 CD1 LEU A 126 -14.082 38.732 51.332 1.00 0.00 ATOM 994 CD2 LEU A 126 -13.439 36.333 51.025 1.00 0.00 ATOM 995 O LEU A 126 -15.261 35.152 47.267 1.00 0.00 ATOM 996 C LEU A 126 -14.721 36.237 47.052 1.00 0.00 ATOM 997 N VAL A 127 -15.012 36.985 45.993 1.00 0.00 ATOM 998 CA VAL A 127 -16.017 36.530 45.027 1.00 0.00 ATOM 999 CB VAL A 127 -16.480 37.677 44.115 1.00 0.00 ATOM 1000 CG1 VAL A 127 -17.161 37.164 42.863 1.00 0.00 ATOM 1001 CG2 VAL A 127 -17.425 38.596 44.907 1.00 0.00 ATOM 1002 O VAL A 127 -16.167 34.293 44.100 1.00 0.00 ATOM 1003 C VAL A 127 -15.468 35.299 44.274 1.00 0.00 ATOM 1004 N ILE A 128 -14.200 35.373 43.882 1.00 0.00 ATOM 1005 CA ILE A 128 -13.519 34.252 43.232 1.00 0.00 ATOM 1006 CB ILE A 128 -12.103 34.668 42.756 1.00 0.00 ATOM 1007 CG1 ILE A 128 -12.214 35.507 41.485 1.00 0.00 ATOM 1008 CG2 ILE A 128 -11.232 33.441 42.499 1.00 0.00 ATOM 1009 O ILE A 128 -13.613 31.894 43.704 1.00 0.00 ATOM 1010 C ILE A 128 -13.421 33.029 44.147 1.00 0.00 ATOM 1011 N LEU A 129 -13.117 33.256 45.423 1.00 0.00 ATOM 1012 CA LEU A 129 -12.996 32.158 46.365 1.00 0.00 ATOM 1013 CB LEU A 129 -12.412 32.644 47.683 1.00 0.00 ATOM 1014 CG LEU A 129 -10.923 32.975 47.631 1.00 0.00 ATOM 1015 CD1 LEU A 129 -10.529 33.728 48.890 1.00 0.00 ATOM 1016 CD2 LEU A 129 -10.100 31.705 47.484 1.00 0.00 ATOM 1017 O LEU A 129 -14.356 30.252 46.870 1.00 0.00 ATOM 1018 C LEU A 129 -14.329 31.467 46.620 1.00 0.00 ATOM 1019 N GLU A 130 -15.430 32.222 46.564 1.00 0.00 ATOM 1020 CA GLU A 130 -16.761 31.601 46.719 1.00 0.00 ATOM 1021 CB GLU A 130 -17.870 32.662 46.743 1.00 0.00 ATOM 1022 CG GLU A 130 -19.289 32.133 47.086 1.00 0.00 ATOM 1023 CD GLU A 130 -20.399 33.113 46.709 1.00 0.00 ATOM 1024 OE1 GLU A 130 -20.239 33.868 45.726 1.00 0.00 ATOM 1025 OE2 GLU A 130 -21.445 33.141 47.397 1.00 0.00 ATOM 1026 O GLU A 130 -17.508 29.508 45.764 1.00 0.00 ATOM 1027 C GLU A 130 -16.998 30.608 45.556 1.00 0.00 ATOM 1028 N THR A 131 -16.599 30.997 44.350 1.00 0.00 ATOM 1029 CA THR A 131 -16.741 30.130 43.157 1.00 0.00 ATOM 1030 CB THR A 131 -16.330 30.849 41.864 1.00 0.00 ATOM 1031 CG2 THR A 131 -16.318 29.900 40.665 1.00 0.00 ATOM 1032 OG1 THR A 131 -17.254 31.914 41.592 1.00 0.00 ATOM 1033 O THR A 131 -16.389 27.747 43.111 1.00 0.00 ATOM 1034 C THR A 131 -15.907 28.867 43.331 1.00 0.00 ATOM 1035 N ILE A 132 -14.658 29.058 43.746 1.00 0.00 ATOM 1036 CA ILE A 132 -13.747 27.949 44.014 1.00 0.00 ATOM 1037 CB ILE A 132 -12.340 28.447 44.409 1.00 0.00 ATOM 1038 CG1 ILE A 132 -11.661 29.150 43.224 1.00 0.00 ATOM 1039 CG2 ILE A 132 -11.470 27.293 44.879 1.00 0.00 ATOM 1040 CD1 ILE A 132 -10.426 29.939 43.638 1.00 0.00 ATOM 1041 O ILE A 132 -14.280 25.814 44.955 1.00 0.00 ATOM 1042 C ILE A 132 -14.309 27.036 45.108 1.00 0.00 ATOM 1043 N MET A 133 -14.811 27.623 46.201 1.00 0.00 ATOM 1044 CA MET A 133 -15.415 26.830 47.279 1.00 0.00 ATOM 1045 CB MET A 133 -15.780 27.698 48.488 1.00 0.00 ATOM 1046 CG MET A 133 -16.532 26.925 49.584 1.00 0.00 ATOM 1047 SD MET A 133 -16.747 27.927 51.070 1.00 0.00 ATOM 1048 CE MET A 133 -15.059 27.873 51.713 1.00 0.00 ATOM 1049 O MET A 133 -16.731 24.820 47.134 1.00 0.00 ATOM 1050 C MET A 133 -16.637 26.009 46.822 1.00 0.00 ATOM 1051 N LEU A 134 -17.562 26.635 46.106 1.00 0.00 ATOM 1052 CA LEU A 134 -18.739 25.922 45.570 1.00 0.00 ATOM 1053 CB LEU A 134 -19.664 26.885 44.834 1.00 0.00 ATOM 1054 CG LEU A 134 -20.482 27.833 45.718 1.00 0.00 ATOM 1055 CD1 LEU A 134 -20.995 28.977 44.887 1.00 0.00 ATOM 1056 CD2 LEU A 134 -21.638 27.060 46.374 1.00 0.00 ATOM 1057 O LEU A 134 -18.894 23.672 44.773 1.00 0.00 ATOM 1058 C LEU A 134 -18.339 24.763 44.661 1.00 0.00 ATOM 1059 N GLN A 135 -17.353 24.985 43.789 1.00 0.00 ATOM 1060 CA GLN A 135 -16.838 23.932 42.918 1.00 0.00 ATOM 1061 CB GLN A 135 -15.808 24.493 41.927 1.00 0.00 ATOM 1062 CG GLN A 135 -16.403 25.377 40.836 1.00 0.00 ATOM 1063 CD GLN A 135 -15.339 26.213 40.122 1.00 0.00 ATOM 1064 OE1 GLN A 135 -14.167 26.200 40.516 1.00 0.00 ATOM 1065 NE2 GLN A 135 -15.743 26.955 39.092 1.00 0.00 ATOM 1066 O GLN A 135 -16.491 21.622 43.522 1.00 0.00 ATOM 1067 C GLN A 135 -16.226 22.800 43.756 1.00 0.00 ATOM 1068 N THR A 136 -15.415 23.175 44.738 1.00 0.00 ATOM 1069 CA THR A 136 -14.752 22.213 45.612 1.00 0.00 ATOM 1070 CB THR A 136 -13.794 22.944 46.592 1.00 0.00 ATOM 1071 CG2 THR A 136 -13.150 21.950 47.570 1.00 0.00 ATOM 1072 OG1 THR A 136 -12.771 23.584 45.807 1.00 0.00 ATOM 1073 O THR A 136 -15.622 20.148 46.477 1.00 0.00 ATOM 1074 C THR A 136 -15.767 21.369 46.372 1.00 0.00 ATOM 1075 N LEU A 137 -16.794 22.038 46.895 1.00 0.00 ATOM 1076 CA LEU A 137 -17.869 21.370 47.624 1.00 0.00 ATOM 1077 CB LEU A 137 -18.670 22.399 48.407 1.00 0.00 ATOM 1078 CG LEU A 137 -17.935 23.104 49.544 1.00 0.00 ATOM 1079 CD1 LEU A 137 -18.860 24.158 50.145 1.00 0.00 ATOM 1080 CD2 LEU A 137 -17.413 22.109 50.604 1.00 0.00 ATOM 1081 O LEU A 137 -19.722 19.872 47.268 1.00 0.00 ATOM 1082 C LEU A 137 -18.823 20.540 46.745 1.00 0.00 ATOM 1083 N GLY A 138 -18.650 20.584 45.424 1.00 0.00 ATOM 1084 CA GLY A 138 -19.558 19.888 44.516 1.00 0.00 ATOM 1085 O GLY A 138 -21.915 19.823 44.153 1.00 0.00 ATOM 1086 C GLY A 138 -20.959 20.487 44.504 1.00 0.00 ATOM 1087 N PHE A 139 -21.068 21.745 44.930 1.00 0.00 ATOM 1088 CA PHE A 139 -22.355 22.427 45.072 1.00 0.00 ATOM 1089 CB PHE A 139 -23.021 22.621 43.708 1.00 0.00 ATOM 1090 CG PHE A 139 -22.196 23.451 42.767 1.00 0.00 ATOM 1091 CD1 PHE A 139 -21.214 22.862 41.983 1.00 0.00 ATOM 1092 CD2 PHE A 139 -22.360 24.831 42.705 1.00 0.00 ATOM 1093 CE1 PHE A 139 -20.442 23.630 41.126 1.00 0.00 ATOM 1094 CE2 PHE A 139 -21.579 25.604 41.854 1.00 0.00 ATOM 1095 CZ PHE A 139 -20.626 25.003 41.068 1.00 0.00 ATOM 1096 O PHE A 139 -24.457 22.051 46.166 1.00 0.00 ATOM 1097 C PHE A 139 -23.273 21.754 46.107 1.00 0.00 ATOM 1098 N GLU A 140 -22.689 20.917 46.961 1.00 0.00 ATOM 1099 CA GLU A 140 -23.439 20.237 48.015 1.00 0.00 ATOM 1100 CB GLU A 140 -22.888 18.832 48.296 1.00 0.00 ATOM 1101 CG GLU A 140 -23.676 18.110 49.410 1.00 0.00 ATOM 1102 CD GLU A 140 -23.505 16.595 49.455 1.00 0.00 ATOM 1103 OE1 GLU A 140 -23.165 15.957 48.440 1.00 0.00 ATOM 1104 OE2 GLU A 140 -23.774 16.023 50.535 1.00 0.00 ATOM 1105 O GLU A 140 -22.630 21.051 50.147 1.00 0.00 ATOM 1106 C GLU A 140 -23.442 21.166 49.224 1.00 0.00 ATOM 1107 N ILE A 141 -24.368 22.126 49.175 1.00 0.00 ATOM 1108 CA ILE A 141 -24.440 23.210 50.156 1.00 0.00 ATOM 1109 CB ILE A 141 -24.920 24.529 49.479 1.00 0.00 ATOM 1110 CG1 ILE A 141 -26.269 24.350 48.768 1.00 0.00 ATOM 1111 CG2 ILE A 141 -23.860 24.986 48.484 1.00 0.00 ATOM 1112 CD1 ILE A 141 -26.726 25.546 47.892 1.00 0.00 ATOM 1113 O ILE A 141 -25.204 23.527 52.412 1.00 0.00 ATOM 1114 C ILE A 141 -25.309 22.873 51.366 1.00 0.00 ATOM 1115 N THR A 142 -26.157 21.862 51.202 1.00 0.00 ATOM 1116 CA THR A 142 -27.056 21.384 52.266 1.00 0.00 ATOM 1117 CB THR A 142 -28.212 20.569 51.671 1.00 0.00 ATOM 1118 CG2 THR A 142 -29.234 20.180 52.755 1.00 0.00 ATOM 1119 OG1 THR A 142 -28.880 21.343 50.674 1.00 0.00 ATOM 1120 O THR A 142 -25.838 19.417 52.902 1.00 0.00 ATOM 1121 C THR A 142 -26.291 20.517 53.260 1.00 0.00 ATOM 1122 N ILE A 143 -26.157 21.006 54.500 1.00 0.00 ATOM 1123 CA ILE A 143 -25.439 20.304 55.567 1.00 0.00 ATOM 1124 CB ILE A 143 -24.286 21.153 56.153 1.00 0.00 ATOM 1125 CG1 ILE A 143 -23.401 21.730 55.048 1.00 0.00 ATOM 1126 CG2 ILE A 143 -23.455 20.300 57.153 1.00 0.00 ATOM 1127 CD1 ILE A 143 -22.741 20.681 54.200 1.00 0.00 ATOM 1128 O ILE A 143 -27.126 20.751 57.217 1.00 0.00 ATOM 1129 C ILE A 143 -26.357 19.917 56.736 1.00 0.00 ATOM 1130 N GLU A 144 -26.276 18.653 57.152 1.00 0.00 ATOM 1131 CA GLU A 144 -26.985 18.132 58.337 1.00 0.00 ATOM 1132 CB GLU A 144 -27.479 16.705 58.074 1.00 0.00 ATOM 1133 CG GLU A 144 -28.453 16.552 56.868 1.00 0.00 ATOM 1134 CD GLU A 144 -29.050 15.146 56.718 1.00 0.00 ATOM 1135 OE1 GLU A 144 -29.450 14.775 55.586 1.00 0.00 ATOM 1136 OE2 GLU A 144 -29.130 14.399 57.716 1.00 0.00 ATOM 1137 O GLU A 144 -24.901 17.646 59.386 1.00 0.00 ATOM 1138 C GLU A 144 -26.023 18.134 59.528 1.00 0.00 ATOM 1139 N HIS A 145 -26.455 18.653 60.690 1.00 0.00 ATOM 1140 CA HIS A 145 -25.604 18.759 61.886 1.00 0.00 ATOM 1141 CB HIS A 145 -25.543 20.198 62.394 1.00 0.00 ATOM 1142 CG HIS A 145 -25.011 21.168 61.388 1.00 0.00 ATOM 1143 CD2 HIS A 145 -25.641 22.102 60.646 1.00 0.00 ATOM 1144 ND1 HIS A 145 -23.685 21.218 61.029 1.00 0.00 ATOM 1145 CE1 HIS A 145 -23.520 22.152 60.112 1.00 0.00 ATOM 1146 NE2 HIS A 145 -24.693 22.708 59.865 1.00 0.00 ATOM 1147 O HIS A 145 -27.351 17.635 63.073 1.00 0.00 ATOM 1148 C HIS A 145 -26.144 17.904 63.030 1.00 0.00 ATOM 1149 N PRO A 146 -25.261 17.479 63.943 1.00 0.00 ATOM 1150 CA PRO A 146 -25.712 16.653 65.079 1.00 0.00 ATOM 1151 CB PRO A 146 -24.419 16.360 65.847 1.00 0.00 ATOM 1152 CG PRO A 146 -23.408 17.359 65.352 1.00 0.00 ATOM 1153 CD PRO A 146 -23.797 17.676 63.953 1.00 0.00 ATOM 1154 O PRO A 146 -27.593 16.684 66.571 1.00 0.00 ATOM 1155 C PRO A 146 -26.737 17.349 65.974 1.00 0.00 ATOM 1156 N HIS A 147 -26.669 18.670 66.034 1.00 0.00 ATOM 1157 CA HIS A 147 -27.499 19.470 66.961 1.00 0.00 ATOM 1158 CB HIS A 147 -27.231 20.967 66.743 1.00 0.00 ATOM 1159 CG HIS A 147 -25.799 21.367 66.991 1.00 0.00 ATOM 1160 CD2 HIS A 147 -25.234 22.106 67.975 1.00 0.00 ATOM 1161 ND1 HIS A 147 -24.760 20.976 66.171 1.00 0.00 ATOM 1162 CE1 HIS A 147 -23.628 21.479 66.619 1.00 0.00 ATOM 1163 NE2 HIS A 147 -23.882 22.161 67.721 1.00 0.00 ATOM 1164 O HIS A 147 -29.691 19.042 67.873 1.00 0.00 ATOM 1165 C HIS A 147 -28.997 19.159 66.859 1.00 0.00 ATOM 1166 N THR A 148 -29.510 19.015 65.643 1.00 0.00 ATOM 1167 CA THR A 148 -30.929 18.760 65.487 1.00 0.00 ATOM 1168 CB THR A 148 -31.410 18.899 64.019 1.00 0.00 ATOM 1169 CG2 THR A 148 -31.489 20.371 63.638 1.00 0.00 ATOM 1170 OG1 THR A 148 -30.483 18.246 63.155 1.00 0.00 ATOM 1171 O THR A 148 -32.358 17.300 66.714 1.00 0.00 ATOM 1172 C THR A 148 -31.319 17.405 66.084 1.00 0.00 ATOM 1173 N ASP A 149 -30.466 16.395 65.910 1.00 0.00 ATOM 1174 CA ASP A 149 -30.648 15.077 66.531 1.00 0.00 ATOM 1175 CB ASP A 149 -29.677 14.064 65.909 1.00 0.00 ATOM 1176 CG ASP A 149 -29.782 14.025 64.382 1.00 0.00 ATOM 1177 OD1 ASP A 149 -30.882 13.736 63.879 1.00 0.00 ATOM 1178 OD2 ASP A 149 -28.785 14.347 63.689 1.00 0.00 ATOM 1179 O ASP A 149 -31.192 14.453 68.799 1.00 0.00 ATOM 1180 C ASP A 149 -30.472 15.130 68.055 1.00 0.00 ATOM 1181 N VAL A 150 -29.526 15.939 68.515 1.00 0.00 ATOM 1182 CA VAL A 150 -29.310 16.126 69.955 1.00 0.00 ATOM 1183 CB VAL A 150 -28.057 17.007 70.221 1.00 0.00 ATOM 1184 CG1 VAL A 150 -27.988 17.498 71.680 1.00 0.00 ATOM 1185 CG2 VAL A 150 -26.774 16.230 69.870 1.00 0.00 ATOM 1186 O VAL A 150 -31.035 16.093 71.634 1.00 0.00 ATOM 1187 C VAL A 150 -30.553 16.670 70.647 1.00 0.00 ATOM 1188 N VAL A 151 -31.083 17.774 70.130 1.00 0.00 ATOM 1189 CA VAL A 151 -32.258 18.414 70.721 1.00 0.00 ATOM 1190 CB VAL A 151 -32.596 19.723 69.987 1.00 0.00 ATOM 1191 CG1 VAL A 151 -33.966 20.266 70.452 1.00 0.00 ATOM 1192 CG2 VAL A 151 -31.460 20.748 70.177 1.00 0.00 ATOM 1193 O VAL A 151 -34.180 17.358 71.738 1.00 0.00 ATOM 1194 C VAL A 151 -33.474 17.482 70.722 1.00 0.00 ATOM 1195 N LYS A 152 -33.712 16.818 69.589 1.00 0.00 ATOM 1196 CA LYS A 152 -34.792 15.830 69.488 1.00 0.00 ATOM 1197 CB LYS A 152 -34.789 15.174 68.099 1.00 0.00 ATOM 1198 CG LYS A 152 -35.352 16.074 67.015 1.00 0.00 ATOM 1199 CD LYS A 152 -35.062 15.525 65.613 1.00 0.00 ATOM 1200 CE LYS A 152 -35.782 16.309 64.538 1.00 0.00 ATOM 1201 NZ LYS A 152 -35.109 16.142 63.214 1.00 0.00 ATOM 1202 O LYS A 152 -35.689 14.422 71.231 1.00 0.00 ATOM 1203 C LYS A 152 -34.703 14.752 70.568 1.00 0.00 ATOM 1204 N CYS A 153 -33.509 14.203 70.744 1.00 0.00 ATOM 1205 CA CYS A 153 -33.302 13.145 71.725 1.00 0.00 ATOM 1206 CB CYS A 153 -31.940 12.491 71.497 1.00 0.00 ATOM 1207 SG CYS A 153 -31.561 11.197 72.665 1.00 0.00 ATOM 1208 O CYS A 153 -34.128 13.034 73.987 1.00 0.00 ATOM 1209 C CYS A 153 -33.431 13.658 73.164 1.00 0.00 ATOM 1210 N THR A 154 -32.785 14.783 73.477 1.00 0.00 ATOM 1211 CA THR A 154 -32.795 15.308 74.863 1.00 0.00 ATOM 1212 CB THR A 154 -31.782 16.474 75.127 1.00 0.00 ATOM 1213 CG2 THR A 154 -30.350 16.021 74.915 1.00 0.00 ATOM 1214 OG1 THR A 154 -32.056 17.602 74.296 1.00 0.00 ATOM 1215 O THR A 154 -34.559 15.455 76.464 1.00 0.00 ATOM 1216 C THR A 154 -34.203 15.679 75.312 1.00 0.00 ATOM 1217 N GLN A 155 -35.016 16.201 74.398 1.00 0.00 ATOM 1218 CA GLN A 155 -36.433 16.463 74.702 1.00 0.00 ATOM 1219 CB GLN A 155 -37.081 17.280 73.583 1.00 0.00 ATOM 1220 CG GLN A 155 -36.583 18.728 73.539 1.00 0.00 ATOM 1221 CD GLN A 155 -37.048 19.494 72.322 1.00 0.00 ATOM 1222 OE1 GLN A 155 -37.676 18.931 71.418 1.00 0.00 ATOM 1223 NE2 GLN A 155 -36.736 20.794 72.282 1.00 0.00 ATOM 1224 O GLN A 155 -37.988 15.092 75.946 1.00 0.00 ATOM 1225 C GLN A 155 -37.221 15.167 74.973 1.00 0.00 ATOM 1226 N LEU A 156 -37.033 14.152 74.133 1.00 0.00 ATOM 1227 CA LEU A 156 -37.732 12.866 74.301 1.00 0.00 ATOM 1228 CB LEU A 156 -37.592 11.990 73.048 1.00 0.00 ATOM 1229 CG LEU A 156 -38.348 12.498 71.819 1.00 0.00 ATOM 1230 CD1 LEU A 156 -37.965 11.686 70.573 1.00 0.00 ATOM 1231 CD2 LEU A 156 -39.875 12.461 72.044 1.00 0.00 ATOM 1232 O LEU A 156 -38.212 11.422 76.156 1.00 0.00 ATOM 1233 C LEU A 156 -37.340 12.062 75.542 1.00 0.00 ATOM 1234 N VAL A 157 -36.063 12.101 75.931 1.00 0.00 ATOM 1235 CA VAL A 157 -35.623 11.428 77.160 1.00 0.00 ATOM 1236 CB VAL A 157 -34.164 10.906 77.066 1.00 0.00 ATOM 1237 CG1 VAL A 157 -33.972 10.059 75.798 1.00 0.00 ATOM 1238 CG2 VAL A 157 -33.149 12.051 77.148 1.00 0.00 ATOM 1239 O VAL A 157 -35.374 11.866 79.512 1.00 0.00 ATOM 1240 C VAL A 157 -35.820 12.268 78.437 1.00 0.00 ATOM 1241 N ARG A 158 -36.485 13.423 78.318 1.00 0.00 ATOM 1242 CA ARG A 158 -36.768 14.294 79.472 1.00 0.00 ATOM 1243 CB ARG A 158 -37.767 13.653 80.453 1.00 0.00 ATOM 1244 CG ARG A 158 -39.178 13.559 79.933 1.00 0.00 ATOM 1245 CD ARG A 158 -40.120 13.063 81.034 1.00 0.00 ATOM 1246 NE ARG A 158 -41.519 13.064 80.596 1.00 0.00 ATOM 1247 CZ ARG A 158 -42.088 12.103 79.866 1.00 0.00 ATOM 1248 NH1 ARG A 158 -43.368 12.212 79.520 1.00 0.00 ATOM 1249 NH2 ARG A 158 -41.390 11.038 79.474 1.00 0.00 ATOM 1250 O ARG A 158 -35.408 14.679 81.446 1.00 0.00 ATOM 1251 C ARG A 158 -35.497 14.711 80.200 1.00 0.00 ATOM 1252 N ALA A 159 -34.508 15.120 79.408 1.00 0.00 ATOM 1253 CA ALA A 159 -33.256 15.612 79.949 1.00 0.00 ATOM 1254 CB ALA A 159 -32.272 15.920 78.813 1.00 0.00 ATOM 1255 O ALA A 159 -34.409 17.659 80.463 1.00 0.00 ATOM 1256 C ALA A 159 -33.524 16.864 80.778 1.00 0.00 ATOM 1257 N SER A 160 -32.758 17.035 81.840 1.00 0.00 ATOM 1258 CA SER A 160 -32.739 18.283 82.563 1.00 0.00 ATOM 1259 CB SER A 160 -31.833 18.183 83.790 1.00 0.00 ATOM 1260 OG SER A 160 -30.486 17.955 83.411 1.00 0.00 ATOM 1261 O SER A 160 -31.589 19.052 80.577 1.00 0.00 ATOM 1262 C SER A 160 -32.211 19.358 81.614 1.00 0.00 ATOM 1263 N LYS A 161 -32.462 20.609 81.960 1.00 0.00 ATOM 1264 CA LYS A 161 -31.964 21.710 81.133 1.00 0.00 ATOM 1265 CB LYS A 161 -32.537 23.061 81.587 1.00 0.00 ATOM 1266 CG LYS A 161 -32.117 23.528 82.973 1.00 0.00 ATOM 1267 CD LYS A 161 -33.016 24.627 83.500 1.00 0.00 ATOM 1268 CE LYS A 161 -33.029 25.845 82.599 1.00 0.00 ATOM 1269 NZ LYS A 161 -33.691 27.002 83.278 1.00 0.00 ATOM 1270 O LYS A 161 -29.854 21.941 80.034 1.00 0.00 ATOM 1271 C LYS A 161 -30.429 21.681 81.084 1.00 0.00 ATOM 1272 N ASP A 162 -29.785 21.335 82.207 1.00 0.00 ATOM 1273 CA ASP A 162 -28.325 21.219 82.249 1.00 0.00 ATOM 1274 CB ASP A 162 -27.816 20.977 83.686 1.00 0.00 ATOM 1275 CG ASP A 162 -27.835 22.238 84.558 1.00 0.00 ATOM 1276 OD1 ASP A 162 -27.560 22.107 85.772 1.00 0.00 ATOM 1277 OD2 ASP A 162 -28.123 23.353 84.061 1.00 0.00 ATOM 1278 O ASP A 162 -26.874 20.310 80.561 1.00 0.00 ATOM 1279 C ASP A 162 -27.837 20.107 81.307 1.00 0.00 ATOM 1280 N LEU A 163 -28.509 18.949 81.308 1.00 0.00 ATOM 1281 CA LEU A 163 -28.098 17.856 80.428 1.00 0.00 ATOM 1282 CB LEU A 163 -28.839 16.536 80.755 1.00 0.00 ATOM 1283 CG LEU A 163 -28.565 15.383 79.782 1.00 0.00 ATOM 1284 CD1 LEU A 163 -27.091 14.958 79.847 1.00 0.00 ATOM 1285 CD2 LEU A 163 -29.481 14.165 79.996 1.00 0.00 ATOM 1286 O LEU A 163 -27.463 17.984 78.102 1.00 0.00 ATOM 1287 C LEU A 163 -28.314 18.245 78.955 1.00 0.00 ATOM 1288 N ALA A 164 -29.449 18.886 78.660 1.00 0.00 ATOM 1289 CA ALA A 164 -29.724 19.313 77.287 1.00 0.00 ATOM 1290 CB ALA A 164 -31.145 19.930 77.198 1.00 0.00 ATOM 1291 O ALA A 164 -28.148 20.160 75.654 1.00 0.00 ATOM 1292 C ALA A 164 -28.668 20.304 76.779 1.00 0.00 ATOM 1293 N GLN A 165 -28.342 21.280 77.627 1.00 0.00 ATOM 1294 CA GLN A 165 -27.364 22.322 77.315 1.00 0.00 ATOM 1295 CB GLN A 165 -27.368 23.410 78.406 1.00 0.00 ATOM 1296 CG GLN A 165 -28.573 24.332 78.299 1.00 0.00 ATOM 1297 CD GLN A 165 -28.837 25.179 79.551 1.00 0.00 ATOM 1298 OE1 GLN A 165 -28.012 25.254 80.472 1.00 0.00 ATOM 1299 NE2 GLN A 165 -30.011 25.795 79.597 1.00 0.00 ATOM 1300 O GLN A 165 -25.243 22.090 76.243 1.00 0.00 ATOM 1301 C GLN A 165 -25.968 21.736 77.155 1.00 0.00 ATOM 1302 N THR A 166 -25.618 20.809 78.041 1.00 0.00 ATOM 1303 CA THR A 166 -24.321 20.175 77.982 1.00 0.00 ATOM 1304 CB THR A 166 -24.075 19.253 79.204 1.00 0.00 ATOM 1305 CG2 THR A 166 -22.706 18.575 79.081 1.00 0.00 ATOM 1306 OG1 THR A 166 -24.135 20.029 80.410 1.00 0.00 ATOM 1307 O THR A 166 -23.094 19.448 76.055 1.00 0.00 ATOM 1308 C THR A 166 -24.152 19.384 76.682 1.00 0.00 ATOM 1309 N SER A 167 -25.205 18.677 76.283 1.00 0.00 ATOM 1310 CA SER A 167 -25.201 17.857 75.047 1.00 0.00 ATOM 1311 CB SER A 167 -26.480 17.024 74.936 1.00 0.00 ATOM 1312 OG SER A 167 -26.575 16.126 76.017 1.00 0.00 ATOM 1313 O SER A 167 -24.214 18.488 72.955 1.00 0.00 ATOM 1314 C SER A 167 -25.037 18.754 73.827 1.00 0.00 ATOM 1315 N TYR A 168 -25.787 19.857 73.791 1.00 0.00 ATOM 1316 CA TYR A 168 -25.702 20.794 72.668 1.00 0.00 ATOM 1317 CB TYR A 168 -26.821 21.863 72.789 1.00 0.00 ATOM 1318 CG TYR A 168 -27.009 22.792 71.593 1.00 0.00 ATOM 1319 CD1 TYR A 168 -28.142 22.704 70.763 1.00 0.00 ATOM 1320 CD2 TYR A 168 -26.098 23.807 71.344 1.00 0.00 ATOM 1321 CE1 TYR A 168 -28.332 23.621 69.703 1.00 0.00 ATOM 1322 CE2 TYR A 168 -26.262 24.698 70.289 1.00 0.00 ATOM 1323 CZ TYR A 168 -27.379 24.607 69.471 1.00 0.00 ATOM 1324 OH TYR A 168 -27.490 25.529 68.430 1.00 0.00 ATOM 1325 O TYR A 168 -23.707 21.540 71.542 1.00 0.00 ATOM 1326 C TYR A 168 -24.297 21.428 72.603 1.00 0.00 ATOM 1327 N PHE A 169 -23.784 21.842 73.750 1.00 0.00 ATOM 1328 CA PHE A 169 -22.452 22.446 73.868 1.00 0.00 ATOM 1329 CB PHE A 169 -22.209 22.776 75.351 1.00 0.00 ATOM 1330 CG PHE A 169 -20.980 23.591 75.626 1.00 0.00 ATOM 1331 CD1 PHE A 169 -20.741 24.784 74.953 1.00 0.00 ATOM 1332 CD2 PHE A 169 -20.079 23.194 76.611 1.00 0.00 ATOM 1333 CE1 PHE A 169 -19.638 25.560 75.245 1.00 0.00 ATOM 1334 CE2 PHE A 169 -18.960 23.959 76.900 1.00 0.00 ATOM 1335 CZ PHE A 169 -18.728 25.133 76.213 1.00 0.00 ATOM 1336 O PHE A 169 -20.461 21.958 72.591 1.00 0.00 ATOM 1337 C PHE A 169 -21.358 21.522 73.326 1.00 0.00 ATOM 1338 N MET A 170 -21.459 20.241 73.668 1.00 0.00 ATOM 1339 CA MET A 170 -20.473 19.279 73.227 1.00 0.00 ATOM 1340 CB MET A 170 -20.581 17.978 73.997 1.00 0.00 ATOM 1341 CG MET A 170 -20.190 18.134 75.483 1.00 0.00 ATOM 1342 SD MET A 170 -18.640 19.043 75.722 1.00 0.00 ATOM 1343 CE MET A 170 -17.467 17.806 75.241 1.00 0.00 ATOM 1344 O MET A 170 -19.573 18.878 71.075 1.00 0.00 ATOM 1345 C MET A 170 -20.582 19.063 71.719 1.00 0.00 ATOM 1346 N ALA A 171 -21.795 19.157 71.170 1.00 0.00 ATOM 1347 CA ALA A 171 -21.987 19.094 69.708 1.00 0.00 ATOM 1348 CB ALA A 171 -23.489 19.058 69.344 1.00 0.00 ATOM 1349 O ALA A 171 -20.569 20.064 68.016 1.00 0.00 ATOM 1350 C ALA A 171 -21.270 20.260 69.004 1.00 0.00 ATOM 1351 N THR A 172 -21.425 21.465 69.531 1.00 0.00 ATOM 1352 CA THR A 172 -20.736 22.618 68.970 1.00 0.00 ATOM 1353 CB THR A 172 -21.180 23.955 69.638 1.00 0.00 ATOM 1354 CG2 THR A 172 -20.507 25.141 68.935 1.00 0.00 ATOM 1355 OG1 THR A 172 -22.618 24.110 69.554 1.00 0.00 ATOM 1356 O THR A 172 -18.457 22.630 68.137 1.00 0.00 ATOM 1357 C THR A 172 -19.214 22.428 69.094 1.00 0.00 ATOM 1358 N ASN A 173 -18.768 22.053 70.279 1.00 0.00 ATOM 1359 CA ASN A 173 -17.367 21.726 70.514 1.00 0.00 ATOM 1360 CB ASN A 173 -17.124 21.333 71.970 1.00 0.00 ATOM 1361 CG ASN A 173 -17.033 22.530 72.891 1.00 0.00 ATOM 1362 ND2 ASN A 173 -17.890 22.575 73.905 1.00 0.00 ATOM 1363 OD1 ASN A 173 -16.174 23.387 72.714 1.00 0.00 ATOM 1364 O ASN A 173 -15.668 20.763 69.113 1.00 0.00 ATOM 1365 C ASN A 173 -16.820 20.651 69.556 1.00 0.00 ATOM 1366 N SER A 174 -17.648 19.670 69.185 1.00 0.00 ATOM 1367 CA SER A 174 -17.200 18.624 68.263 1.00 0.00 ATOM 1368 CB SER A 174 -18.205 17.477 68.096 1.00 0.00 ATOM 1369 OG SER A 174 -19.370 17.838 67.358 1.00 0.00 ATOM 1370 O SER A 174 -15.885 18.802 66.274 1.00 0.00 ATOM 1371 C SER A 174 -16.859 19.231 66.909 1.00 0.00 ATOM 1372 N LEU A 175 -17.638 20.235 66.488 1.00 0.00 ATOM 1373 CA LEU A 175 -17.426 20.893 65.193 1.00 0.00 ATOM 1374 CB LEU A 175 -18.662 21.734 64.783 1.00 0.00 ATOM 1375 CG LEU A 175 -19.786 21.036 64.023 1.00 0.00 ATOM 1376 CD1 LEU A 175 -19.224 20.472 62.680 1.00 0.00 ATOM 1377 CD2 LEU A 175 -20.917 22.020 63.752 1.00 0.00 ATOM 1378 O LEU A 175 -15.393 21.757 64.261 1.00 0.00 ATOM 1379 C LEU A 175 -16.180 21.763 65.217 1.00 0.00 ATOM 1380 N HIS A 176 -16.019 22.529 66.297 1.00 0.00 ATOM 1381 CA HIS A 176 -14.855 23.395 66.477 1.00 0.00 ATOM 1382 CB HIS A 176 -14.983 24.217 67.769 1.00 0.00 ATOM 1383 CG HIS A 176 -15.814 25.452 67.635 1.00 0.00 ATOM 1384 CD2 HIS A 176 -17.100 25.626 67.257 1.00 0.00 ATOM 1385 ND1 HIS A 176 -15.326 26.713 67.933 1.00 0.00 ATOM 1386 CE1 HIS A 176 -16.285 27.603 67.748 1.00 0.00 ATOM 1387 NE2 HIS A 176 -17.371 26.969 67.343 1.00 0.00 ATOM 1388 O HIS A 176 -12.507 23.105 66.029 1.00 0.00 ATOM 1389 C HIS A 176 -13.529 22.655 66.580 1.00 0.00 ATOM 1390 N LEU A 177 -13.544 21.552 67.319 1.00 0.00 ATOM 1391 CA LEU A 177 -12.312 20.961 67.841 1.00 0.00 ATOM 1392 CB LEU A 177 -12.431 20.827 69.359 1.00 0.00 ATOM 1393 CG LEU A 177 -12.675 22.148 70.090 1.00 0.00 ATOM 1394 CD1 LEU A 177 -12.711 21.880 71.593 1.00 0.00 ATOM 1395 CD2 LEU A 177 -11.637 23.222 69.719 1.00 0.00 ATOM 1396 O LEU A 177 -10.769 19.159 67.478 1.00 0.00 ATOM 1397 C LEU A 177 -11.905 19.610 67.250 1.00 0.00 ATOM 1398 N THR A 178 -12.816 18.953 66.527 1.00 0.00 ATOM 1399 CA THR A 178 -12.520 17.659 65.916 1.00 0.00 ATOM 1400 CB THR A 178 -13.335 16.490 66.526 1.00 0.00 ATOM 1401 CG2 THR A 178 -13.370 16.553 68.095 1.00 0.00 ATOM 1402 OG1 THR A 178 -14.674 16.478 65.972 1.00 0.00 ATOM 1403 O THR A 178 -13.441 18.638 63.950 1.00 0.00 ATOM 1404 C THR A 178 -12.850 17.684 64.434 1.00 0.00 ATOM 1405 N THR A 179 -12.448 16.622 63.733 1.00 0.00 ATOM 1406 CA THR A 179 -12.901 16.404 62.345 1.00 0.00 ATOM 1407 CB THR A 179 -11.726 16.025 61.413 1.00 0.00 ATOM 1408 CG2 THR A 179 -10.733 17.181 61.319 1.00 0.00 ATOM 1409 OG1 THR A 179 -11.064 14.844 61.897 1.00 0.00 ATOM 1410 O THR A 179 -14.148 14.641 61.249 1.00 0.00 ATOM 1411 C THR A 179 -13.992 15.312 62.278 1.00 0.00 ATOM 1412 N PHE A 180 -14.740 15.118 63.361 1.00 0.00 ATOM 1413 CA PHE A 180 -15.825 14.129 63.345 1.00 0.00 ATOM 1414 CB PHE A 180 -16.595 14.069 64.688 1.00 0.00 ATOM 1415 CG PHE A 180 -15.843 13.443 65.840 1.00 0.00 ATOM 1416 CD1 PHE A 180 -14.717 12.653 65.664 1.00 0.00 ATOM 1417 CD2 PHE A 180 -16.322 13.627 67.140 1.00 0.00 ATOM 1418 CE1 PHE A 180 -14.068 12.074 66.762 1.00 0.00 ATOM 1419 CE2 PHE A 180 -15.677 13.057 68.236 1.00 0.00 ATOM 1420 CZ PHE A 180 -14.552 12.285 68.047 1.00 0.00 ATOM 1421 O PHE A 180 -17.385 13.359 61.697 1.00 0.00 ATOM 1422 C PHE A 180 -16.835 14.340 62.202 1.00 0.00 ATOM 1423 N CYS A 181 -17.076 15.595 61.795 1.00 0.00 ATOM 1424 CA CYS A 181 -18.048 15.907 60.739 1.00 0.00 ATOM 1425 CB CYS A 181 -18.293 17.420 60.650 1.00 0.00 ATOM 1426 SG CYS A 181 -16.956 18.379 59.988 1.00 0.00 ATOM 1427 O CYS A 181 -18.506 15.242 58.481 1.00 0.00 ATOM 1428 C CYS A 181 -17.649 15.351 59.368 1.00 0.00 ATOM 1429 N LEU A 182 -16.355 15.013 59.212 1.00 0.00 ATOM 1430 CA LEU A 182 -15.771 14.391 58.015 1.00 0.00 ATOM 1431 CB LEU A 182 -14.360 14.958 57.780 1.00 0.00 ATOM 1432 CG LEU A 182 -14.183 16.473 57.644 1.00 0.00 ATOM 1433 CD1 LEU A 182 -12.704 16.851 57.588 1.00 0.00 ATOM 1434 CD2 LEU A 182 -14.935 17.003 56.398 1.00 0.00 ATOM 1435 O LEU A 182 -15.219 12.218 57.156 1.00 0.00 ATOM 1436 C LEU A 182 -15.664 12.848 58.094 1.00 0.00 ATOM 1437 N GLN A 183 -16.056 12.266 59.225 1.00 0.00 ATOM 1438 CA GLN A 183 -15.820 10.865 59.515 1.00 0.00 ATOM 1439 CB GLN A 183 -14.895 10.732 60.722 1.00 0.00 ATOM 1440 CG GLN A 183 -13.574 11.417 60.647 1.00 0.00 ATOM 1441 CD GLN A 183 -12.824 11.331 61.982 1.00 0.00 ATOM 1442 OE1 GLN A 183 -12.544 10.220 62.471 1.00 0.00 ATOM 1443 NE2 GLN A 183 -12.492 12.500 62.576 1.00 0.00 ATOM 1444 O GLN A 183 -17.247 8.947 59.492 1.00 0.00 ATOM 1445 C GLN A 183 -17.106 10.106 59.860 1.00 0.00 ATOM 1446 N TYR A 184 -18.012 10.750 60.597 1.00 0.00 ATOM 1447 CA TYR A 184 -19.231 10.098 61.081 1.00 0.00 ATOM 1448 CB TYR A 184 -19.144 9.899 62.601 1.00 0.00 ATOM 1449 CG TYR A 184 -17.874 9.167 63.034 1.00 0.00 ATOM 1450 CD1 TYR A 184 -17.768 7.793 62.906 1.00 0.00 ATOM 1451 CD2 TYR A 184 -16.791 9.861 63.582 1.00 0.00 ATOM 1452 CE1 TYR A 184 -16.608 7.116 63.300 1.00 0.00 ATOM 1453 CE2 TYR A 184 -15.623 9.194 63.970 1.00 0.00 ATOM 1454 CZ TYR A 184 -15.540 7.822 63.815 1.00 0.00 ATOM 1455 OH TYR A 184 -14.390 7.152 64.210 1.00 0.00 ATOM 1456 O TYR A 184 -20.495 12.076 60.578 1.00 0.00 ATOM 1457 C TYR A 184 -20.506 10.861 60.720 1.00 0.00 ATOM 1458 N LYS A 185 -21.615 10.134 60.604 1.00 0.00 ATOM 1459 CA LYS A 185 -22.918 10.750 60.354 1.00 0.00 ATOM 1460 CB LYS A 185 -23.983 9.683 60.047 1.00 0.00 ATOM 1461 CG LYS A 185 -23.861 9.020 58.672 1.00 0.00 ATOM 1462 CD LYS A 185 -24.468 9.873 57.541 1.00 0.00 ATOM 1463 CE LYS A 185 -24.554 9.112 56.215 1.00 0.00 ATOM 1464 NZ LYS A 185 -25.556 7.999 56.229 1.00 0.00 ATOM 1465 O LYS A 185 -22.936 11.257 62.694 1.00 0.00 ATOM 1466 C LYS A 185 -23.324 11.577 61.574 1.00 0.00 ATOM 1467 N PRO A 186 -24.092 12.652 61.354 1.00 0.00 ATOM 1468 CA PRO A 186 -24.526 13.563 62.415 1.00 0.00 ATOM 1469 CB PRO A 186 -25.474 14.521 61.693 1.00 0.00 ATOM 1470 CG PRO A 186 -25.303 14.315 60.321 1.00 0.00 ATOM 1471 CD PRO A 186 -24.538 13.109 60.035 1.00 0.00 ATOM 1472 O PRO A 186 -25.130 13.208 64.698 1.00 0.00 ATOM 1473 C PRO A 186 -25.256 12.838 63.529 1.00 0.00 ATOM 1474 N THR A 187 -25.999 11.790 63.177 1.00 0.00 ATOM 1475 CA THR A 187 -26.695 11.000 64.205 1.00 0.00 ATOM 1476 CB THR A 187 -27.707 10.007 63.597 1.00 0.00 ATOM 1477 CG2 THR A 187 -28.930 10.758 63.073 1.00 0.00 ATOM 1478 OG1 THR A 187 -27.103 9.270 62.520 1.00 0.00 ATOM 1479 O THR A 187 -26.011 10.160 66.360 1.00 0.00 ATOM 1480 C THR A 187 -25.731 10.277 65.155 1.00 0.00 ATOM 1481 N VAL A 188 -24.599 9.800 64.635 1.00 0.00 ATOM 1482 CA VAL A 188 -23.580 9.169 65.475 1.00 0.00 ATOM 1483 CB VAL A 188 -22.437 8.549 64.641 1.00 0.00 ATOM 1484 CG1 VAL A 188 -21.317 8.001 65.564 1.00 0.00 ATOM 1485 CG2 VAL A 188 -22.962 7.470 63.720 1.00 0.00 ATOM 1486 O VAL A 188 -22.879 9.950 67.616 1.00 0.00 ATOM 1487 C VAL A 188 -22.988 10.189 66.428 1.00 0.00 ATOM 1488 N ILE A 189 -22.592 11.334 65.889 1.00 0.00 ATOM 1489 CA ILE A 189 -21.993 12.370 66.704 1.00 0.00 ATOM 1490 CB ILE A 189 -21.417 13.506 65.827 1.00 0.00 ATOM 1491 CG1 ILE A 189 -20.381 12.938 64.846 1.00 0.00 ATOM 1492 CG2 ILE A 189 -20.892 14.678 66.725 1.00 0.00 ATOM 1493 CD1 ILE A 189 -19.284 12.027 65.461 1.00 0.00 ATOM 1494 O ILE A 189 -22.604 13.160 68.876 1.00 0.00 ATOM 1495 C ILE A 189 -22.978 12.893 67.745 1.00 0.00 ATOM 1496 N ALA A 190 -24.245 13.018 67.376 1.00 0.00 ATOM 1497 CA ALA A 190 -25.274 13.365 68.367 1.00 0.00 ATOM 1498 CB ALA A 190 -26.644 13.388 67.720 1.00 0.00 ATOM 1499 O ALA A 190 -25.257 12.849 70.727 1.00 0.00 ATOM 1500 C ALA A 190 -25.230 12.412 69.573 1.00 0.00 ATOM 1501 N CYS A 191 -25.145 11.112 69.311 1.00 0.00 ATOM 1502 CA CYS A 191 -25.095 10.129 70.393 1.00 0.00 ATOM 1503 CB CYS A 191 -25.218 8.692 69.830 1.00 0.00 ATOM 1504 SG CYS A 191 -26.865 8.345 69.140 1.00 0.00 ATOM 1505 O CYS A 191 -23.886 10.217 72.451 1.00 0.00 ATOM 1506 C CYS A 191 -23.827 10.276 71.231 1.00 0.00 ATOM 1507 N VAL A 192 -22.683 10.497 70.576 1.00 0.00 ATOM 1508 CA VAL A 192 -21.415 10.710 71.288 1.00 0.00 ATOM 1509 CB VAL A 192 -20.223 10.981 70.312 1.00 0.00 ATOM 1510 CG1 VAL A 192 -18.961 11.347 71.102 1.00 0.00 ATOM 1511 CG2 VAL A 192 -19.937 9.728 69.437 1.00 0.00 ATOM 1512 O VAL A 192 -21.140 11.794 73.420 1.00 0.00 ATOM 1513 C VAL A 192 -21.548 11.879 72.268 1.00 0.00 ATOM 1514 N CYS A 193 -22.180 12.955 71.812 1.00 0.00 ATOM 1515 CA CYS A 193 -22.303 14.159 72.623 1.00 0.00 ATOM 1516 CB CYS A 193 -22.817 15.265 71.718 1.00 0.00 ATOM 1517 SG CYS A 193 -21.501 15.848 70.600 1.00 0.00 ATOM 1518 O CYS A 193 -22.890 14.405 74.962 1.00 0.00 ATOM 1519 C CYS A 193 -23.207 13.972 73.843 1.00 0.00 ATOM 1520 N ILE A 194 -24.338 13.326 73.612 1.00 0.00 ATOM 1521 CA ILE A 194 -25.272 12.991 74.681 1.00 0.00 ATOM 1522 CB ILE A 194 -26.604 12.486 74.104 1.00 0.00 ATOM 1523 CG1 ILE A 194 -27.291 13.631 73.346 1.00 0.00 ATOM 1524 CG2 ILE A 194 -27.512 11.935 75.222 1.00 0.00 ATOM 1525 CD1 ILE A 194 -28.570 13.205 72.624 1.00 0.00 ATOM 1526 O ILE A 194 -24.793 12.182 76.896 1.00 0.00 ATOM 1527 C ILE A 194 -24.649 12.005 75.679 1.00 0.00 ATOM 1528 N HIS A 195 -23.962 10.980 75.168 1.00 0.00 ATOM 1529 CA HIS A 195 -23.252 9.991 76.012 1.00 0.00 ATOM 1530 CB HIS A 195 -22.592 8.938 75.116 1.00 0.00 ATOM 1531 CG HIS A 195 -22.035 7.752 75.847 1.00 0.00 ATOM 1532 CD2 HIS A 195 -20.763 7.308 75.988 1.00 0.00 ATOM 1533 ND1 HIS A 195 -22.833 6.832 76.494 1.00 0.00 ATOM 1534 CE1 HIS A 195 -22.074 5.888 77.022 1.00 0.00 ATOM 1535 NE2 HIS A 195 -20.813 6.155 76.733 1.00 0.00 ATOM 1536 O HIS A 195 -22.254 10.441 78.160 1.00 0.00 ATOM 1537 C HIS A 195 -22.237 10.662 76.952 1.00 0.00 ATOM 1538 N LEU A 196 -21.388 11.521 76.387 1.00 0.00 ATOM 1539 CA LEU A 196 -20.413 12.283 77.148 1.00 0.00 ATOM 1540 CB LEU A 196 -19.602 13.179 76.185 1.00 0.00 ATOM 1541 CG LEU A 196 -18.328 13.798 76.724 1.00 0.00 ATOM 1542 CD1 LEU A 196 -17.463 14.259 75.559 1.00 0.00 ATOM 1543 CD2 LEU A 196 -18.627 14.938 77.674 1.00 0.00 ATOM 1544 O LEU A 196 -20.663 13.126 79.374 1.00 0.00 ATOM 1545 C LEU A 196 -21.085 13.126 78.233 1.00 0.00 ATOM 1546 N ALA A 197 -22.153 13.817 77.862 1.00 0.00 ATOM 1547 CA ALA A 197 -22.900 14.669 78.767 1.00 0.00 ATOM 1548 CB ALA A 197 -23.960 15.419 77.969 1.00 0.00 ATOM 1549 O ALA A 197 -23.491 14.311 81.081 1.00 0.00 ATOM 1550 C ALA A 197 -23.531 13.881 79.934 1.00 0.00 ATOM 1551 N CYS A 198 -24.105 12.723 79.611 1.00 0.00 ATOM 1552 CA CYS A 198 -24.645 11.811 80.607 1.00 0.00 ATOM 1553 CB CYS A 198 -25.317 10.618 79.933 1.00 0.00 ATOM 1554 SG CYS A 198 -26.941 11.027 79.224 1.00 0.00 ATOM 1555 O CYS A 198 -23.780 11.307 82.794 1.00 0.00 ATOM 1556 C CYS A 198 -23.570 11.320 81.576 1.00 0.00 ATOM 1557 N LYS A 199 -22.422 10.924 81.038 1.00 0.00 ATOM 1558 CA LYS A 199 -21.316 10.462 81.886 1.00 0.00 ATOM 1559 CB LYS A 199 -20.157 9.932 81.043 1.00 0.00 ATOM 1560 CG LYS A 199 -20.474 8.644 80.280 1.00 0.00 ATOM 1561 CD LYS A 199 -19.258 7.723 80.180 1.00 0.00 ATOM 1562 O LYS A 199 -20.634 11.339 84.018 1.00 0.00 ATOM 1563 C LYS A 199 -20.858 11.572 82.831 1.00 0.00 ATOM 1564 N TRP A 200 -20.755 12.786 82.295 1.00 0.00 ATOM 1565 CA TRP A 200 -20.325 13.945 83.070 1.00 0.00 ATOM 1566 CB TRP A 200 -20.237 15.141 82.130 1.00 0.00 ATOM 1567 CG TRP A 200 -19.381 16.262 82.581 1.00 0.00 ATOM 1568 CD1 TRP A 200 -18.715 16.409 83.767 1.00 0.00 ATOM 1569 CD2 TRP A 200 -19.126 17.432 81.820 1.00 0.00 ATOM 1570 CE2 TRP A 200 -18.283 18.260 82.587 1.00 0.00 ATOM 1571 CE3 TRP A 200 -19.531 17.860 80.552 1.00 0.00 ATOM 1572 NE1 TRP A 200 -18.052 17.621 83.779 1.00 0.00 ATOM 1573 CZ2 TRP A 200 -17.837 19.507 82.124 1.00 0.00 ATOM 1574 CZ3 TRP A 200 -19.075 19.102 80.086 1.00 0.00 ATOM 1575 CH2 TRP A 200 -18.242 19.897 80.869 1.00 0.00 ATOM 1576 O TRP A 200 -20.849 14.644 85.318 1.00 0.00 ATOM 1577 C TRP A 200 -21.282 14.269 84.224 1.00 0.00 ATOM 1578 N SER A 201 -22.584 14.127 83.979 1.00 0.00 ATOM 1579 CA SER A 201 -23.587 14.418 84.996 1.00 0.00 ATOM 1580 CB SER A 201 -24.820 15.052 84.353 1.00 0.00 ATOM 1581 OG SER A 201 -24.465 15.906 83.277 1.00 0.00 ATOM 1582 O SER A 201 -24.874 13.301 86.679 1.00 0.00 ATOM 1583 C SER A 201 -24.005 13.187 85.817 1.00 0.00 ATOM 1584 N ASN A 202 -23.382 12.028 85.573 1.00 0.00 ATOM 1585 CA ASN A 202 -23.824 10.760 86.198 1.00 0.00 ATOM 1586 CB ASN A 202 -23.418 10.686 87.682 1.00 0.00 ATOM 1587 CG ASN A 202 -21.905 10.677 87.873 1.00 0.00 ATOM 1588 O ASN A 202 -26.054 10.196 86.969 1.00 0.00 ATOM 1589 C ASN A 202 -25.335 10.555 86.021 1.00 0.00 ATOM 1590 N TRP A 203 -25.798 10.805 84.797 1.00 0.00 ATOM 1591 CA TRP A 203 -27.208 10.708 84.409 1.00 0.00 ATOM 1592 CB TRP A 203 -27.623 11.942 83.589 1.00 0.00 ATOM 1593 CG TRP A 203 -29.066 11.936 83.096 1.00 0.00 ATOM 1594 CD1 TRP A 203 -29.615 11.067 82.186 1.00 0.00 ATOM 1595 CD2 TRP A 203 -30.125 12.846 83.464 1.00 0.00 ATOM 1596 CE2 TRP A 203 -31.283 12.446 82.752 1.00 0.00 ATOM 1597 CE3 TRP A 203 -30.213 13.946 84.334 1.00 0.00 ATOM 1598 NE1 TRP A 203 -30.939 11.361 81.988 1.00 0.00 ATOM 1599 CZ2 TRP A 203 -32.516 13.112 82.875 1.00 0.00 ATOM 1600 CZ3 TRP A 203 -31.439 14.607 84.454 1.00 0.00 ATOM 1601 CH2 TRP A 203 -32.578 14.176 83.736 1.00 0.00 ATOM 1602 O TRP A 203 -26.541 9.118 82.739 1.00 0.00 ATOM 1603 C TRP A 203 -27.363 9.416 83.604 1.00 0.00 ATOM 1604 N GLU A 204 -28.392 8.625 83.922 1.00 0.00 ATOM 1605 CA GLU A 204 -28.642 7.374 83.217 1.00 0.00 ATOM 1606 CB GLU A 204 -28.633 6.204 84.214 1.00 0.00 ATOM 1607 CG GLU A 204 -27.954 4.967 83.667 1.00 0.00 ATOM 1608 O GLU A 204 -31.011 7.786 83.135 1.00 0.00 ATOM 1609 C GLU A 204 -29.997 7.470 82.502 1.00 0.00 ATOM 1610 N ILE A 205 -30.011 7.231 81.189 1.00 0.00 ATOM 1611 CA ILE A 205 -31.264 7.243 80.433 1.00 0.00 ATOM 1612 CB ILE A 205 -31.085 7.738 78.994 1.00 0.00 ATOM 1613 CG1 ILE A 205 -30.479 9.147 78.994 1.00 0.00 ATOM 1614 CG2 ILE A 205 -32.410 7.715 78.262 1.00 0.00 ATOM 1615 CD1 ILE A 205 -30.056 9.625 77.633 1.00 0.00 ATOM 1616 O ILE A 205 -31.034 4.930 79.923 1.00 0.00 ATOM 1617 C ILE A 205 -31.758 5.807 80.402 1.00 0.00 ATOM 1618 N PRO A 206 -32.957 5.553 80.948 1.00 0.00 ATOM 1619 CA PRO A 206 -33.498 4.187 80.986 1.00 0.00 ATOM 1620 CB PRO A 206 -34.912 4.375 81.567 1.00 0.00 ATOM 1621 CG PRO A 206 -34.830 5.639 82.353 1.00 0.00 ATOM 1622 CD PRO A 206 -33.866 6.521 81.596 1.00 0.00 ATOM 1623 O PRO A 206 -33.791 4.159 78.598 1.00 0.00 ATOM 1624 C PRO A 206 -33.608 3.507 79.622 1.00 0.00 ATOM 1625 N VAL A 207 -33.518 2.186 79.636 1.00 0.00 ATOM 1626 CA VAL A 207 -33.867 1.394 78.453 1.00 0.00 ATOM 1627 CB VAL A 207 -33.289 -0.050 78.538 1.00 0.00 ATOM 1628 CG1 VAL A 207 -31.796 0.015 78.739 1.00 0.00 ATOM 1629 CG2 VAL A 207 -33.946 -0.846 79.649 1.00 0.00 ATOM 1630 O VAL A 207 -36.123 1.648 79.272 1.00 0.00 ATOM 1631 C VAL A 207 -35.389 1.370 78.322 1.00 0.00 ATOM 1632 N SER A 208 -35.858 1.057 77.128 1.00 0.00 ATOM 1633 CA SER A 208 -37.280 1.020 76.836 1.00 0.00 ATOM 1634 CB SER A 208 -37.463 1.267 75.341 1.00 0.00 ATOM 1635 OG SER A 208 -36.895 0.181 74.622 1.00 0.00 ATOM 1636 O SER A 208 -37.193 -1.218 77.738 1.00 0.00 ATOM 1637 C SER A 208 -37.895 -0.330 77.252 1.00 0.00 ATOM 1638 N THR A 209 -39.199 -0.481 77.048 1.00 0.00 ATOM 1639 CA THR A 209 -39.902 -1.716 77.388 1.00 0.00 ATOM 1640 CB THR A 209 -41.413 -1.569 77.226 1.00 0.00 ATOM 1641 CG2 THR A 209 -41.937 -0.609 78.303 1.00 0.00 ATOM 1642 OG1 THR A 209 -41.704 -1.067 75.917 1.00 0.00 ATOM 1643 O THR A 209 -39.659 -4.055 77.007 1.00 0.00 ATOM 1644 C THR A 209 -39.438 -2.936 76.576 1.00 0.00 ATOM 1645 N ASP A 210 -38.816 -2.689 75.421 1.00 0.00 ATOM 1646 CA ASP A 210 -38.221 -3.749 74.577 1.00 0.00 ATOM 1647 CB ASP A 210 -38.598 -3.580 73.079 1.00 0.00 ATOM 1648 CG ASP A 210 -38.121 -2.275 72.466 1.00 0.00 ATOM 1649 OD1 ASP A 210 -37.375 -1.523 73.122 1.00 0.00 ATOM 1650 OD2 ASP A 210 -38.475 -2.009 71.289 1.00 0.00 ATOM 1651 O ASP A 210 -36.007 -4.489 73.965 1.00 0.00 ATOM 1652 C ASP A 210 -36.694 -3.827 74.744 1.00 0.00 ATOM 1653 N GLY A 211 -36.174 -3.131 75.755 1.00 0.00 ATOM 1654 CA GLY A 211 -34.754 -3.195 76.098 1.00 0.00 ATOM 1655 O GLY A 211 -32.609 -2.298 75.591 1.00 0.00 ATOM 1656 C GLY A 211 -33.811 -2.325 75.302 1.00 0.00 ATOM 1657 N LYS A 212 -34.327 -1.603 74.303 1.00 0.00 ATOM 1658 CA LYS A 212 -33.502 -0.732 73.486 1.00 0.00 ATOM 1659 CB LYS A 212 -34.319 -0.107 72.356 1.00 0.00 ATOM 1660 CG LYS A 212 -34.664 -1.065 71.235 1.00 0.00 ATOM 1661 CD LYS A 212 -35.484 -0.368 70.133 1.00 0.00 ATOM 1662 CE LYS A 212 -34.816 0.862 69.583 1.00 0.00 ATOM 1663 NZ LYS A 212 -35.417 1.331 68.263 1.00 0.00 ATOM 1664 O LYS A 212 -33.524 1.024 75.128 1.00 0.00 ATOM 1665 C LYS A 212 -32.858 0.381 74.306 1.00 0.00 ATOM 1666 N HIS A 213 -31.558 0.590 74.086 1.00 0.00 ATOM 1667 CA HIS A 213 -30.829 1.708 74.684 1.00 0.00 ATOM 1668 CB HIS A 213 -29.314 1.408 74.748 1.00 0.00 ATOM 1669 CG HIS A 213 -29.002 0.175 75.530 1.00 0.00 ATOM 1670 CD2 HIS A 213 -29.092 -1.134 75.196 1.00 0.00 ATOM 1671 ND1 HIS A 213 -28.629 0.207 76.856 1.00 0.00 ATOM 1672 CE1 HIS A 213 -28.480 -1.028 77.299 1.00 0.00 ATOM 1673 NE2 HIS A 213 -28.761 -1.861 76.313 1.00 0.00 ATOM 1674 O HIS A 213 -31.518 2.950 72.707 1.00 0.00 ATOM 1675 C HIS A 213 -31.159 2.992 73.908 1.00 0.00 ATOM 1676 N TRP A 214 -31.070 4.130 74.594 1.00 0.00 ATOM 1677 CA TRP A 214 -31.565 5.397 74.042 1.00 0.00 ATOM 1678 CB TRP A 214 -31.290 6.573 74.996 1.00 0.00 ATOM 1679 CG TRP A 214 -29.840 6.739 75.306 1.00 0.00 ATOM 1680 CD1 TRP A 214 -29.139 6.137 76.294 1.00 0.00 ATOM 1681 CD2 TRP A 214 -28.899 7.530 74.572 1.00 0.00 ATOM 1682 CE2 TRP A 214 -27.646 7.382 75.203 1.00 0.00 ATOM 1683 CE3 TRP A 214 -28.990 8.341 73.439 1.00 0.00 ATOM 1684 NE1 TRP A 214 -27.818 6.514 76.242 1.00 0.00 ATOM 1685 CZ2 TRP A 214 -26.484 8.019 74.729 1.00 0.00 ATOM 1686 CZ3 TRP A 214 -27.851 8.980 72.990 1.00 0.00 ATOM 1687 CH2 TRP A 214 -26.607 8.793 73.621 1.00 0.00 ATOM 1688 O TRP A 214 -31.634 6.154 71.759 1.00 0.00 ATOM 1689 C TRP A 214 -30.953 5.671 72.659 1.00 0.00 ATOM 1690 N TRP A 215 -29.677 5.329 72.484 1.00 0.00 ATOM 1691 CA TRP A 215 -28.970 5.672 71.223 1.00 0.00 ATOM 1692 CB TRP A 215 -27.472 5.400 71.329 1.00 0.00 ATOM 1693 CG TRP A 215 -27.103 4.004 71.675 1.00 0.00 ATOM 1694 CD1 TRP A 215 -27.064 2.933 70.832 1.00 0.00 ATOM 1695 CD2 TRP A 215 -26.694 3.526 72.951 1.00 0.00 ATOM 1696 CE2 TRP A 215 -26.434 2.149 72.813 1.00 0.00 ATOM 1697 CE3 TRP A 215 -26.549 4.120 74.210 1.00 0.00 ATOM 1698 NE1 TRP A 215 -26.654 1.827 71.503 1.00 0.00 ATOM 1699 CZ2 TRP A 215 -26.026 1.356 73.880 1.00 0.00 ATOM 1700 CZ3 TRP A 215 -26.139 3.338 75.278 1.00 0.00 ATOM 1701 CH2 TRP A 215 -25.883 1.962 75.108 1.00 0.00 ATOM 1702 O TRP A 215 -29.442 5.452 68.877 1.00 0.00 ATOM 1703 C TRP A 215 -29.543 4.958 70.003 1.00 0.00 ATOM 1704 N GLU A 216 -30.185 3.821 70.244 1.00 0.00 ATOM 1705 CA GLU A 216 -30.791 3.011 69.181 1.00 0.00 ATOM 1706 CB GLU A 216 -31.186 1.639 69.710 1.00 0.00 ATOM 1707 CG GLU A 216 -30.041 0.862 70.380 1.00 0.00 ATOM 1708 CD GLU A 216 -30.397 -0.598 70.633 1.00 0.00 ATOM 1709 OE1 GLU A 216 -30.490 -1.366 69.653 1.00 0.00 ATOM 1710 OE2 GLU A 216 -30.587 -0.973 71.814 1.00 0.00 ATOM 1711 O GLU A 216 -32.400 3.367 67.428 1.00 0.00 ATOM 1712 C GLU A 216 -31.994 3.707 68.538 1.00 0.00 ATOM 1713 N TYR A 217 -32.548 4.704 69.218 1.00 0.00 ATOM 1714 CA TYR A 217 -33.614 5.508 68.637 1.00 0.00 ATOM 1715 CB TYR A 217 -34.535 6.035 69.746 1.00 0.00 ATOM 1716 CG TYR A 217 -35.318 4.964 70.449 1.00 0.00 ATOM 1717 CD1 TYR A 217 -34.871 4.401 71.642 1.00 0.00 ATOM 1718 CD2 TYR A 217 -36.504 4.485 69.908 1.00 0.00 ATOM 1719 CE1 TYR A 217 -35.611 3.402 72.292 1.00 0.00 ATOM 1720 CE2 TYR A 217 -37.244 3.498 70.534 1.00 0.00 ATOM 1721 CZ TYR A 217 -36.808 2.958 71.728 1.00 0.00 ATOM 1722 OH TYR A 217 -37.560 1.975 72.318 1.00 0.00 ATOM 1723 O TYR A 217 -33.811 7.208 66.939 1.00 0.00 ATOM 1724 C TYR A 217 -33.074 6.654 67.758 1.00 0.00 ATOM 1725 N VAL A 218 -31.787 6.955 67.888 1.00 0.00 ATOM 1726 CA VAL A 218 -31.155 8.082 67.192 1.00 0.00 ATOM 1727 CB VAL A 218 -30.239 8.831 68.158 1.00 0.00 ATOM 1728 CG1 VAL A 218 -29.635 10.102 67.486 1.00 0.00 ATOM 1729 CG2 VAL A 218 -31.014 9.151 69.460 1.00 0.00 ATOM 1730 O VAL A 218 -30.405 8.282 64.916 1.00 0.00 ATOM 1731 C VAL A 218 -30.356 7.633 65.970 1.00 0.00 ATOM 1732 N ASP A 219 -29.603 6.545 66.124 1.00 0.00 ATOM 1733 CA ASP A 219 -28.829 5.954 65.039 1.00 0.00 ATOM 1734 CB ASP A 219 -27.377 6.430 65.105 1.00 0.00 ATOM 1735 CG ASP A 219 -26.541 5.926 63.934 1.00 0.00 ATOM 1736 OD1 ASP A 219 -26.127 4.756 63.970 1.00 0.00 ATOM 1737 OD2 ASP A 219 -26.288 6.702 62.999 1.00 0.00 ATOM 1738 O ASP A 219 -28.491 3.900 66.201 1.00 0.00 ATOM 1739 C ASP A 219 -28.859 4.426 65.164 1.00 0.00 ATOM 1740 N PRO A 220 -29.234 3.718 64.088 1.00 0.00 ATOM 1741 CA PRO A 220 -29.421 2.262 64.163 1.00 0.00 ATOM 1742 CB PRO A 220 -30.295 1.970 62.940 1.00 0.00 ATOM 1743 CG PRO A 220 -29.895 3.004 61.952 1.00 0.00 ATOM 1744 CD PRO A 220 -29.488 4.233 62.728 1.00 0.00 ATOM 1745 O PRO A 220 -28.191 0.219 64.298 1.00 0.00 ATOM 1746 C PRO A 220 -28.132 1.432 64.109 1.00 0.00 ATOM 1747 N THR A 221 -26.994 2.070 63.857 1.00 0.00 ATOM 1748 CA THR A 221 -25.698 1.388 63.758 1.00 0.00 ATOM 1749 CB THR A 221 -24.874 1.921 62.549 1.00 0.00 ATOM 1750 CG2 THR A 221 -25.729 2.071 61.294 1.00 0.00 ATOM 1751 OG1 THR A 221 -24.308 3.191 62.877 1.00 0.00 ATOM 1752 O THR A 221 -23.962 0.778 65.300 1.00 0.00 ATOM 1753 C THR A 221 -24.849 1.578 65.024 1.00 0.00 ATOM 1754 N VAL A 222 -25.105 2.652 65.772 1.00 0.00 ATOM 1755 CA VAL A 222 -24.322 2.998 66.969 1.00 0.00 ATOM 1756 CB VAL A 222 -24.905 4.269 67.645 1.00 0.00 ATOM 1757 CG1 VAL A 222 -24.360 4.448 69.078 1.00 0.00 ATOM 1758 CG2 VAL A 222 -24.605 5.464 66.800 1.00 0.00 ATOM 1759 O VAL A 222 -25.331 1.236 68.247 1.00 0.00 ATOM 1760 C VAL A 222 -24.301 1.871 67.996 1.00 0.00 ATOM 1761 N THR A 223 -23.111 1.610 68.554 1.00 0.00 ATOM 1762 CA THR A 223 -22.957 0.718 69.705 1.00 0.00 ATOM 1763 CB THR A 223 -22.045 -0.492 69.383 1.00 0.00 ATOM 1764 CG2 THR A 223 -22.584 -1.285 68.180 1.00 0.00 ATOM 1765 OG1 THR A 223 -20.704 -0.046 69.126 1.00 0.00 ATOM 1766 O THR A 223 -21.701 2.497 70.733 1.00 0.00 ATOM 1767 C THR A 223 -22.355 1.458 70.899 1.00 0.00 ATOM 1768 N LEU A 224 -22.534 0.890 72.091 1.00 0.00 ATOM 1769 CA LEU A 224 -21.913 1.447 73.303 1.00 0.00 ATOM 1770 CB LEU A 224 -22.277 0.624 74.545 1.00 0.00 ATOM 1771 CG LEU A 224 -21.538 0.958 75.854 1.00 0.00 ATOM 1772 CD1 LEU A 224 -21.784 2.400 76.295 1.00 0.00 ATOM 1773 CD2 LEU A 224 -21.936 -0.018 76.959 1.00 0.00 ATOM 1774 O LEU A 224 -19.735 2.432 73.576 1.00 0.00 ATOM 1775 C LEU A 224 -20.389 1.494 73.144 1.00 0.00 ATOM 1776 N GLU A 225 -19.837 0.448 72.535 1.00 0.00 ATOM 1777 CA GLU A 225 -18.406 0.348 72.302 1.00 0.00 ATOM 1778 CB GLU A 225 -18.079 -1.008 71.656 1.00 0.00 ATOM 1779 CG GLU A 225 -18.265 -2.227 72.596 1.00 0.00 ATOM 1780 CD GLU A 225 -19.729 -2.541 72.992 1.00 0.00 ATOM 1781 OE1 GLU A 225 -20.658 -2.365 72.165 1.00 0.00 ATOM 1782 OE2 GLU A 225 -19.947 -2.987 74.146 1.00 0.00 ATOM 1783 O GLU A 225 -16.912 2.163 71.731 1.00 0.00 ATOM 1784 C GLU A 225 -17.926 1.531 71.431 1.00 0.00 ATOM 1785 N LEU A 226 -18.677 1.856 70.380 1.00 0.00 ATOM 1786 CA LEU A 226 -18.347 3.013 69.541 1.00 0.00 ATOM 1787 CB LEU A 226 -19.218 3.081 68.282 1.00 0.00 ATOM 1788 CG LEU A 226 -18.738 4.094 67.226 1.00 0.00 ATOM 1789 CD1 LEU A 226 -17.348 3.735 66.695 1.00 0.00 ATOM 1790 CD2 LEU A 226 -19.721 4.205 66.079 1.00 0.00 ATOM 1791 O LEU A 226 -17.586 5.204 70.178 1.00 0.00 ATOM 1792 C LEU A 226 -18.458 4.334 70.316 1.00 0.00 ATOM 1793 N LEU A 227 -19.512 4.472 71.121 1.00 0.00 ATOM 1794 CA LEU A 227 -19.727 5.695 71.935 1.00 0.00 ATOM 1795 CB LEU A 227 -21.072 5.652 72.690 1.00 0.00 ATOM 1796 CG LEU A 227 -22.325 5.664 71.801 1.00 0.00 ATOM 1797 CD1 LEU A 227 -22.311 6.889 70.877 1.00 0.00 ATOM 1798 CD2 LEU A 227 -23.636 5.596 72.614 1.00 0.00 ATOM 1799 O LEU A 227 -18.091 7.023 73.099 1.00 0.00 ATOM 1800 C LEU A 227 -18.581 5.898 72.928 1.00 0.00 ATOM 1801 N ASP A 228 -18.149 4.817 73.570 1.00 0.00 ATOM 1802 CA ASP A 228 -17.033 4.906 74.531 1.00 0.00 ATOM 1803 CB ASP A 228 -16.898 3.609 75.333 1.00 0.00 ATOM 1804 CG ASP A 228 -17.960 3.474 76.427 1.00 0.00 ATOM 1805 OD1 ASP A 228 -18.514 4.506 76.868 1.00 0.00 ATOM 1806 OD2 ASP A 228 -18.243 2.334 76.844 1.00 0.00 ATOM 1807 O ASP A 228 -14.997 6.179 74.254 1.00 0.00 ATOM 1808 C ASP A 228 -15.725 5.277 73.816 1.00 0.00 ATOM 1809 N GLU A 229 -15.447 4.603 72.700 1.00 0.00 ATOM 1810 CA GLU A 229 -14.293 4.917 71.861 1.00 0.00 ATOM 1811 CB GLU A 229 -14.310 4.017 70.621 1.00 0.00 ATOM 1812 CG GLU A 229 -13.019 3.998 69.830 1.00 0.00 ATOM 1813 CD GLU A 229 -13.239 3.610 68.376 1.00 0.00 ATOM 1814 OE1 GLU A 229 -12.769 4.363 67.477 1.00 0.00 ATOM 1815 OE2 GLU A 229 -13.894 2.568 68.141 1.00 0.00 ATOM 1816 O GLU A 229 -13.221 7.070 71.603 1.00 0.00 ATOM 1817 C GLU A 229 -14.245 6.392 71.438 1.00 0.00 ATOM 1818 N LEU A 230 -15.351 6.885 70.879 1.00 0.00 ATOM 1819 CA LEU A 230 -15.390 8.237 70.331 1.00 0.00 ATOM 1820 CB LEU A 230 -16.559 8.386 69.346 1.00 0.00 ATOM 1821 CG LEU A 230 -16.447 7.592 68.035 1.00 0.00 ATOM 1822 CD1 LEU A 230 -17.613 7.962 67.095 1.00 0.00 ATOM 1823 CD2 LEU A 230 -15.100 7.859 67.342 1.00 0.00 ATOM 1824 O LEU A 230 -14.819 10.353 71.297 1.00 0.00 ATOM 1825 C LEU A 230 -15.423 9.304 71.435 1.00 0.00 ATOM 1826 N THR A 231 -16.104 9.012 72.538 1.00 0.00 ATOM 1827 CA THR A 231 -16.052 9.871 73.726 1.00 0.00 ATOM 1828 CB THR A 231 -17.000 9.321 74.851 1.00 0.00 ATOM 1829 CG2 THR A 231 -16.865 10.128 76.141 1.00 0.00 ATOM 1830 OG1 THR A 231 -18.357 9.408 74.398 1.00 0.00 ATOM 1831 O THR A 231 -14.129 11.123 74.495 1.00 0.00 ATOM 1832 C THR A 231 -14.598 10.014 74.233 1.00 0.00 ATOM 1833 N HIS A 232 -13.870 8.901 74.315 1.00 0.00 ATOM 1834 CA HIS A 232 -12.467 8.922 74.778 1.00 0.00 ATOM 1835 CB HIS A 232 -11.920 7.495 74.919 1.00 0.00 ATOM 1836 CG HIS A 232 -10.490 7.424 75.368 1.00 0.00 ATOM 1837 CD2 HIS A 232 -9.356 7.160 74.679 1.00 0.00 ATOM 1838 ND1 HIS A 232 -10.106 7.602 76.681 1.00 0.00 ATOM 1839 CE1 HIS A 232 -8.795 7.464 76.777 1.00 0.00 ATOM 1840 NE2 HIS A 232 -8.315 7.204 75.574 1.00 0.00 ATOM 1841 O HIS A 232 -10.782 10.545 74.256 1.00 0.00 ATOM 1842 C HIS A 232 -11.599 9.741 73.826 1.00 0.00 ATOM 1843 N GLU A 233 -11.788 9.539 72.530 1.00 0.00 ATOM 1844 CA GLU A 233 -11.049 10.289 71.530 1.00 0.00 ATOM 1845 CB GLU A 233 -11.401 9.808 70.124 1.00 0.00 ATOM 1846 CG GLU A 233 -10.641 10.585 69.056 1.00 0.00 ATOM 1847 CD GLU A 233 -10.838 10.054 67.644 1.00 0.00 ATOM 1848 OE1 GLU A 233 -11.662 9.130 67.447 1.00 0.00 ATOM 1849 OE2 GLU A 233 -10.153 10.580 66.734 1.00 0.00 ATOM 1850 O GLU A 233 -10.418 12.608 71.511 1.00 0.00 ATOM 1851 C GLU A 233 -11.330 11.789 71.635 1.00 0.00 ATOM 1852 N PHE A 234 -12.601 12.138 71.824 1.00 0.00 ATOM 1853 CA PHE A 234 -13.035 13.534 71.934 1.00 0.00 ATOM 1854 CB PHE A 234 -14.550 13.560 72.140 1.00 0.00 ATOM 1855 CG PHE A 234 -15.217 14.895 71.939 1.00 0.00 ATOM 1856 CD1 PHE A 234 -16.604 14.950 71.983 1.00 0.00 ATOM 1857 CD2 PHE A 234 -14.519 16.073 71.669 1.00 0.00 ATOM 1858 CE1 PHE A 234 -17.283 16.145 71.804 1.00 0.00 ATOM 1859 CE2 PHE A 234 -15.200 17.276 71.516 1.00 0.00 ATOM 1860 CZ PHE A 234 -16.573 17.312 71.568 1.00 0.00 ATOM 1861 O PHE A 234 -11.720 15.240 73.029 1.00 0.00 ATOM 1862 C PHE A 234 -12.306 14.159 73.127 1.00 0.00 ATOM 1863 N LEU A 235 -12.354 13.469 74.256 1.00 0.00 ATOM 1864 CA LEU A 235 -11.673 13.939 75.474 1.00 0.00 ATOM 1865 CB LEU A 235 -11.984 13.006 76.645 1.00 0.00 ATOM 1866 CG LEU A 235 -13.415 13.031 77.171 1.00 0.00 ATOM 1867 CD1 LEU A 235 -13.614 11.891 78.167 1.00 0.00 ATOM 1868 CD2 LEU A 235 -13.763 14.368 77.810 1.00 0.00 ATOM 1869 O LEU A 235 -9.566 15.087 75.790 1.00 0.00 ATOM 1870 C LEU A 235 -10.157 14.120 75.289 1.00 0.00 ATOM 1871 N GLN A 236 -9.514 13.191 74.586 1.00 0.00 ATOM 1872 CA GLN A 236 -8.097 13.313 74.270 1.00 0.00 ATOM 1873 CB GLN A 236 -7.629 12.093 73.482 1.00 0.00 ATOM 1874 CG GLN A 236 -7.529 10.842 74.296 1.00 0.00 ATOM 1875 CD GLN A 236 -7.014 9.686 73.465 1.00 0.00 ATOM 1876 OE1 GLN A 236 -7.467 9.468 72.331 1.00 0.00 ATOM 1877 NE2 GLN A 236 -6.073 8.943 74.013 1.00 0.00 ATOM 1878 O GLN A 236 -6.820 15.297 73.752 1.00 0.00 ATOM 1879 C GLN A 236 -7.787 14.576 73.462 1.00 0.00 ATOM 1880 N ILE A 237 -8.621 14.829 72.461 1.00 0.00 ATOM 1881 CA ILE A 237 -8.498 16.030 71.627 1.00 0.00 ATOM 1882 CB ILE A 237 -9.505 16.005 70.446 1.00 0.00 ATOM 1883 CG1 ILE A 237 -9.129 14.899 69.451 1.00 0.00 ATOM 1884 CG2 ILE A 237 -9.530 17.361 69.720 1.00 0.00 ATOM 1885 CD1 ILE A 237 -10.286 14.494 68.535 1.00 0.00 ATOM 1886 O ILE A 237 -7.828 18.216 72.365 1.00 0.00 ATOM 1887 C ILE A 237 -8.633 17.299 72.491 1.00 0.00 ATOM 1888 N LEU A 238 -9.605 17.307 73.400 1.00 0.00 ATOM 1889 CA LEU A 238 -9.848 18.435 74.313 1.00 0.00 ATOM 1890 CB LEU A 238 -11.067 18.162 75.200 1.00 0.00 ATOM 1891 CG LEU A 238 -12.439 18.017 74.509 1.00 0.00 ATOM 1892 CD1 LEU A 238 -13.548 17.857 75.534 1.00 0.00 ATOM 1893 CD2 LEU A 238 -12.757 19.168 73.564 1.00 0.00 ATOM 1894 O LEU A 238 -8.249 19.866 75.408 1.00 0.00 ATOM 1895 C LEU A 238 -8.637 18.716 75.201 1.00 0.00 ATOM 1896 N GLU A 239 -8.055 17.647 75.728 1.00 0.00 ATOM 1897 CA GLU A 239 -6.855 17.732 76.566 1.00 0.00 ATOM 1898 CB GLU A 239 -6.442 16.337 77.016 1.00 0.00 ATOM 1899 CG GLU A 239 -7.357 15.701 78.017 1.00 0.00 ATOM 1900 CD GLU A 239 -6.678 14.552 78.764 1.00 0.00 ATOM 1901 OE1 GLU A 239 -5.433 14.536 78.816 1.00 0.00 ATOM 1902 OE2 GLU A 239 -7.387 13.680 79.298 1.00 0.00 ATOM 1903 O GLU A 239 -4.850 19.061 76.457 1.00 0.00 ATOM 1904 C GLU A 239 -5.673 18.360 75.840 1.00 0.00 ATOM 1905 N LYS A 240 -5.556 18.077 74.543 1.00 0.00 ATOM 1906 CA LYS A 240 -4.453 18.604 73.743 1.00 0.00 ATOM 1907 CB LYS A 240 -4.036 17.617 72.639 1.00 0.00 ATOM 1908 CG LYS A 240 -5.047 17.430 71.549 1.00 0.00 ATOM 1909 O LYS A 240 -3.898 20.587 72.498 1.00 0.00 ATOM 1910 C LYS A 240 -4.752 20.000 73.172 1.00 0.00 ATOM 1911 N THR A 241 -5.948 20.527 73.456 1.00 0.00 ATOM 1912 CA THR A 241 -6.309 21.918 73.167 1.00 0.00 ATOM 1913 CB THR A 241 -7.667 22.005 72.419 1.00 0.00 ATOM 1914 CG2 THR A 241 -7.835 23.366 71.753 1.00 0.00 ATOM 1915 OG1 THR A 241 -7.760 20.972 71.431 1.00 0.00 ATOM 1916 O THR A 241 -7.515 23.061 74.889 1.00 0.00 ATOM 1917 C THR A 241 -6.432 22.683 74.498 1.00 0.00 ATOM 1918 N PRO A 242 -5.322 22.895 75.214 1.00 0.00 ATOM 1919 CA PRO A 242 -5.451 23.335 76.621 1.00 0.00 ATOM 1920 CB PRO A 242 -3.994 23.485 77.086 1.00 0.00 ATOM 1921 CG PRO A 242 -3.192 23.600 75.818 1.00 0.00 ATOM 1922 CD PRO A 242 -3.909 22.746 74.823 1.00 0.00 ATOM 1923 O PRO A 242 -6.944 24.614 77.962 1.00 0.00 ATOM 1924 C PRO A 242 -6.260 24.608 76.941 1.00 0.00 ATOM 1925 N ASN A 243 -6.211 25.667 76.131 1.00 0.00 ATOM 1926 CA ASN A 243 -7.023 26.857 76.484 1.00 0.00 ATOM 1927 CB ASN A 243 -6.552 28.150 75.773 1.00 0.00 ATOM 1928 CG ASN A 243 -5.728 29.080 76.693 1.00 0.00 ATOM 1929 ND2 ASN A 243 -5.071 30.078 76.088 1.00 0.00 ATOM 1930 OD1 ASN A 243 -5.692 28.910 77.922 1.00 0.00 ATOM 1931 O ASN A 243 -9.335 26.964 77.146 1.00 0.00 ATOM 1932 C ASN A 243 -8.538 26.596 76.292 1.00 0.00 ATOM 1933 N ARG A 244 -8.928 25.921 75.212 1.00 0.00 ATOM 1934 CA ARG A 244 -10.329 25.490 75.070 1.00 0.00 ATOM 1935 CB ARG A 244 -10.551 24.794 73.728 1.00 0.00 ATOM 1936 CG ARG A 244 -11.984 24.621 73.363 1.00 0.00 ATOM 1937 CD ARG A 244 -12.711 25.937 73.127 1.00 0.00 ATOM 1938 NE ARG A 244 -12.026 26.774 72.149 1.00 0.00 ATOM 1939 O ARG A 244 -11.978 24.605 76.608 1.00 0.00 ATOM 1940 C ARG A 244 -10.804 24.561 76.209 1.00 0.00 ATOM 1941 N LEU A 245 -9.920 23.702 76.705 1.00 0.00 ATOM 1942 CA LEU A 245 -10.235 22.857 77.875 1.00 0.00 ATOM 1943 CB LEU A 245 -9.106 21.865 78.176 1.00 0.00 ATOM 1944 CG LEU A 245 -9.349 20.868 79.340 1.00 0.00 ATOM 1945 CD1 LEU A 245 -10.542 19.929 79.056 1.00 0.00 ATOM 1946 CD2 LEU A 245 -8.101 20.055 79.662 1.00 0.00 ATOM 1947 O LEU A 245 -11.423 23.333 79.906 1.00 0.00 ATOM 1948 C LEU A 245 -10.514 23.663 79.135 1.00 0.00 ATOM 1949 N LYS A 246 -9.705 24.694 79.369 1.00 0.00 ATOM 1950 CA LYS A 246 -9.916 25.599 80.502 1.00 0.00 ATOM 1951 CB LYS A 246 -8.779 26.623 80.578 1.00 0.00 ATOM 1952 CG LYS A 246 -8.845 27.567 81.777 1.00 0.00 ATOM 1953 CD LYS A 246 -7.605 28.449 81.853 1.00 0.00 ATOM 1954 O LYS A 246 -11.939 26.570 81.391 1.00 0.00 ATOM 1955 C LYS A 246 -11.268 26.325 80.386 1.00 0.00 ATOM 1956 N LYS A 247 -11.612 26.691 79.154 1.00 0.00 ATOM 1957 CA LYS A 247 -12.868 27.375 78.836 1.00 0.00 ATOM 1958 CB LYS A 247 -12.890 27.806 77.358 1.00 0.00 ATOM 1959 CG LYS A 247 -11.919 28.963 77.023 1.00 0.00 ATOM 1960 CD LYS A 247 -11.812 29.237 75.504 1.00 0.00 ATOM 1961 CE LYS A 247 -10.526 29.995 75.148 1.00 0.00 ATOM 1962 NZ LYS A 247 -10.119 29.857 73.712 1.00 0.00 ATOM 1963 O LYS A 247 -15.072 26.947 79.723 1.00 0.00 ATOM 1964 C LYS A 247 -14.081 26.489 79.155 1.00 0.00 ATOM 1965 N ILE A 248 -13.978 25.216 78.793 1.00 0.00 ATOM 1966 CA ILE A 248 -15.035 24.239 79.057 1.00 0.00 ATOM 1967 CB ILE A 248 -14.764 22.910 78.297 1.00 0.00 ATOM 1968 CG1 ILE A 248 -15.063 23.095 76.806 1.00 0.00 ATOM 1969 CG2 ILE A 248 -15.583 21.783 78.902 1.00 0.00 ATOM 1970 CD1 ILE A 248 -14.436 22.058 75.887 1.00 0.00 ATOM 1971 O ILE A 248 -16.301 23.937 81.088 1.00 0.00 ATOM 1972 C ILE A 248 -15.189 24.013 80.569 1.00 0.00 ATOM 1973 N ARG A 249 -14.075 23.932 81.290 1.00 0.00 ATOM 1974 CA ARG A 249 -14.161 23.775 82.721 1.00 0.00 ATOM 1975 CB ARG A 249 -12.802 23.355 83.319 1.00 0.00 ATOM 1976 CG ARG A 249 -12.661 21.838 83.221 1.00 0.00 ATOM 1977 CD ARG A 249 -11.334 21.295 82.731 1.00 0.00 ATOM 1978 NE ARG A 249 -10.157 21.913 83.318 1.00 0.00 ATOM 1979 CZ ARG A 249 -8.956 21.335 83.403 1.00 0.00 ATOM 1980 NH1 ARG A 249 -8.748 20.079 83.001 1.00 0.00 ATOM 1981 NH2 ARG A 249 -7.956 22.018 83.924 1.00 0.00 ATOM 1982 O ARG A 249 -15.587 24.853 84.300 1.00 0.00 ATOM 1983 C ARG A 249 -14.767 24.998 83.402 1.00 0.00 ATOM 1984 N ASN A 250 -14.413 26.189 82.921 1.00 0.00 ATOM 1985 CA ASN A 250 -14.970 27.444 83.440 1.00 0.00 ATOM 1986 CB ASN A 250 -14.242 28.641 82.810 1.00 0.00 ATOM 1987 CG ASN A 250 -12.787 28.815 83.325 1.00 0.00 ATOM 1988 ND2 ASN A 250 -12.051 29.733 82.701 1.00 0.00 ATOM 1989 OD1 ASN A 250 -12.344 28.141 84.269 1.00 0.00 ATOM 1990 O ASN A 250 -17.274 27.962 83.961 1.00 0.00 ATOM 1991 C ASN A 250 -16.479 27.509 83.138 1.00 0.00 ATOM 1992 N TRP A 251 -16.854 27.049 81.944 1.00 0.00 ATOM 1993 CA TRP A 251 -18.264 26.964 81.540 1.00 0.00 ATOM 1994 CB TRP A 251 -18.369 26.517 80.068 1.00 0.00 ATOM 1995 CG TRP A 251 -19.773 26.205 79.607 1.00 0.00 ATOM 1996 CD1 TRP A 251 -20.656 27.064 79.024 1.00 0.00 ATOM 1997 CD2 TRP A 251 -20.447 24.950 79.715 1.00 0.00 ATOM 1998 CE2 TRP A 251 -21.735 25.121 79.166 1.00 0.00 ATOM 1999 CE3 TRP A 251 -20.081 23.690 80.203 1.00 0.00 ATOM 2000 NE1 TRP A 251 -21.832 26.419 78.748 1.00 0.00 ATOM 2001 CZ2 TRP A 251 -22.664 24.088 79.115 1.00 0.00 ATOM 2002 CZ3 TRP A 251 -21.011 22.658 80.158 1.00 0.00 ATOM 2003 CH2 TRP A 251 -22.282 22.864 79.611 1.00 0.00 ATOM 2004 O TRP A 251 -20.163 26.449 82.908 1.00 0.00 ATOM 2005 C TRP A 251 -19.089 26.051 82.475 1.00 0.00 ATOM 2006 N ARG A 252 -18.599 24.848 82.790 1.00 0.00 ATOM 2007 CA ARG A 252 -19.358 23.923 83.681 1.00 0.00 ATOM 2008 CB ARG A 252 -18.821 22.481 83.683 1.00 0.00 ATOM 2009 CG ARG A 252 -19.279 21.653 84.941 1.00 0.00 ATOM 2010 CD ARG A 252 -19.834 20.243 84.700 1.00 0.00 ATOM 2011 NE ARG A 252 -20.989 20.234 83.806 1.00 0.00 ATOM 2012 CZ ARG A 252 -21.861 19.231 83.648 1.00 0.00 ATOM 2013 NH1 ARG A 252 -21.786 18.087 84.332 1.00 0.00 ATOM 2014 NH2 ARG A 252 -22.846 19.390 82.784 1.00 0.00 ATOM 2015 O ARG A 252 -20.389 24.326 85.804 1.00 0.00 ATOM 2016 C ARG A 252 -19.379 24.443 85.109 1.00 0.00 ATOM 2017 N ALA A 253 -18.252 24.984 85.551 1.00 0.00 ATOM 2018 CA ALA A 253 -18.170 25.624 86.854 1.00 0.00 ATOM 2019 CB ALA A 253 -16.789 26.239 87.052 1.00 0.00 ATOM 2020 O ALA A 253 -19.961 26.760 88.003 1.00 0.00 ATOM 2021 C ALA A 253 -19.266 26.690 86.983 1.00 0.00 ATOM 2022 N ASN A 254 -19.425 27.492 85.932 1.00 0.00 ATOM 2023 CA ASN A 254 -20.457 28.531 85.875 1.00 0.00 ATOM 2024 CB ASN A 254 -20.217 29.445 84.656 1.00 0.00 ATOM 2025 CG ASN A 254 -21.448 30.262 84.252 1.00 0.00 ATOM 2026 ND2 ASN A 254 -21.302 31.580 84.245 1.00 0.00 ATOM 2027 OD1 ASN A 254 -22.498 29.709 83.904 1.00 0.00 ATOM 2028 O ASN A 254 -22.751 28.398 86.591 1.00 0.00 ATOM 2029 C ASN A 254 -21.863 27.920 85.876 1.00 0.00 ATOM 2030 N GLN A 255 -22.052 26.854 85.100 1.00 0.00 ATOM 2031 CA GLN A 255 -23.328 26.147 85.051 1.00 0.00 ATOM 2032 CB GLN A 255 -23.235 25.016 84.034 1.00 0.00 ATOM 2033 CG GLN A 255 -24.557 24.431 83.627 1.00 0.00 ATOM 2034 CD GLN A 255 -24.372 23.220 82.767 1.00 0.00 ATOM 2035 OE1 GLN A 255 -23.689 22.276 83.158 1.00 0.00 ATOM 2036 NE2 GLN A 255 -24.980 23.229 81.591 1.00 0.00 ATOM 2037 O GLN A 255 -24.794 25.765 86.934 1.00 0.00 ATOM 2038 C GLN A 255 -23.681 25.582 86.432 1.00 0.00 ATOM 2039 N ALA A 256 -22.712 24.897 87.041 1.00 0.00 ATOM 2040 CA ALA A 256 -22.861 24.309 88.373 1.00 0.00 ATOM 2041 CB ALA A 256 -21.586 23.576 88.765 1.00 0.00 ATOM 2042 O ALA A 256 -22.617 26.437 89.474 1.00 0.00 ATOM 2043 C ALA A 256 -23.209 25.356 89.430 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 T0338.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0338)E89.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)A103.N only 0.000 apart, marking (T0338)Q90.N as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)Q90.CA as missing WARNING: atoms too close: (T0338)Y119.C and (T0338)Q121.C only 0.000 apart, marking (T0338)Q121.C as missing WARNING: atoms too close: (T0338)L120.N and (T0338)Q122.N only 0.000 apart, marking (T0338)L120.N as missing WARNING: atoms too close: (T0338)L120.CA and (T0338)Q122.CA only 0.000 apart, marking (T0338)L120.CA as missing WARNING: atoms too close: (T0338)E204.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)I205.N and (T0338)P206.N only 0.000 apart, marking (T0338)I205.N as missing WARNING: atoms too close: (T0338)I205.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)E216.C and (T0338)T221.C only 0.000 apart, marking (T0338)T221.C as missing WARNING: atoms too close: (T0338)Y217.N and (T0338)V222.N only 0.000 apart, marking (T0338)Y217.N as missing WARNING: atoms too close: (T0338)Y217.CA and (T0338)V222.CA only 0.000 apart, marking (T0338)Y217.CA as missing # WARNING: incomplete conformation T0338 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 = 0.898 # GDT_score = -49.805 # GDT_score(maxd=8.000,maxw=2.900)= -51.303 # GDT_score(maxd=8.000,maxw=3.200)= -48.566 # GDT_score(maxd=8.000,maxw=3.500)= -46.104 # GDT_score(maxd=10.000,maxw=3.800)= -48.768 # GDT_score(maxd=10.000,maxw=4.000)= -47.243 # GDT_score(maxd=10.000,maxw=4.200)= -45.822 # GDT_score(maxd=12.000,maxw=4.300)= -48.974 # GDT_score(maxd=12.000,maxw=4.500)= -47.564 # GDT_score(maxd=12.000,maxw=4.700)= -46.211 # GDT_score(maxd=14.000,maxw=5.200)= -46.106 # GDT_score(maxd=14.000,maxw=5.500)= -44.224 # command:# ReadConformPDB reading from PDB file T0338.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0338)E89.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)A103.N only 0.000 apart, marking (T0338)Q90.N as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)Q90.CA as missing WARNING: atoms too close: (T0338)Y119.C and (T0338)Q121.C only 0.000 apart, marking (T0338)Q121.C as missing WARNING: atoms too close: (T0338)L120.N and (T0338)Q122.N only 0.000 apart, marking (T0338)L120.N as missing WARNING: atoms too close: (T0338)L120.CA and (T0338)Q122.CA only 0.000 apart, marking (T0338)L120.CA as missing WARNING: atoms too close: (T0338)S167.C and (T0338)Y168.C only 0.000 apart, marking (T0338)Y168.C as missing WARNING: atoms too close: (T0338)Y168.N and (T0338)F169.N only 0.000 apart, marking (T0338)Y168.N as missing WARNING: atoms too close: (T0338)Y168.CA and (T0338)F169.CA only 0.000 apart, marking (T0338)Y168.CA as missing WARNING: atoms too close: (T0338)H176.C and (T0338)L177.C only 0.000 apart, marking (T0338)L177.C as missing WARNING: atoms too close: (T0338)L177.N and (T0338)T178.N only 0.000 apart, marking (T0338)L177.N as missing WARNING: atoms too close: (T0338)L177.CA and (T0338)T178.CA only 0.000 apart, marking (T0338)L177.CA as missing WARNING: atoms too close: (T0338)L196.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)A197.N and (T0338)P206.N only 0.000 apart, marking (T0338)A197.N as missing WARNING: atoms too close: (T0338)A197.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)A197.CA as missing WARNING: atoms too close: (T0338)E216.C and (T0338)T221.C only 0.000 apart, marking (T0338)T221.C as missing WARNING: atoms too close: (T0338)Y217.N and (T0338)V222.N only 0.000 apart, marking (T0338)Y217.N as missing WARNING: atoms too close: (T0338)Y217.CA and (T0338)V222.CA only 0.000 apart, marking (T0338)Y217.CA as missing WARNING: atoms too close: (T0338)K240.C and (T0338)I248.C only 0.000 apart, marking (T0338)I248.C as missing WARNING: atoms too close: (T0338)T241.N and (T0338)R249.N only 0.000 apart, marking (T0338)T241.N as missing WARNING: atoms too close: (T0338)T241.CA and (T0338)R249.CA only 0.000 apart, marking (T0338)T241.CA as missing # WARNING: incomplete conformation T0338 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 = 0.797 # GDT_score = -42.969 # GDT_score(maxd=8.000,maxw=2.900)= -44.327 # GDT_score(maxd=8.000,maxw=3.200)= -42.103 # GDT_score(maxd=8.000,maxw=3.500)= -40.002 # GDT_score(maxd=10.000,maxw=3.800)= -42.137 # GDT_score(maxd=10.000,maxw=4.000)= -40.833 # GDT_score(maxd=10.000,maxw=4.200)= -39.588 # GDT_score(maxd=12.000,maxw=4.300)= -42.254 # GDT_score(maxd=12.000,maxw=4.500)= -41.008 # GDT_score(maxd=12.000,maxw=4.700)= -39.767 # GDT_score(maxd=14.000,maxw=5.200)= -39.522 # GDT_score(maxd=14.000,maxw=5.500)= -37.733 # command:# ReadConformPDB reading from PDB file T0338.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0338)E89.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)A103.N only 0.000 apart, marking (T0338)Q90.N as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)Q90.CA as missing WARNING: atoms too close: (T0338)Y119.C and (T0338)Q121.C only 0.000 apart, marking (T0338)Q121.C as missing WARNING: atoms too close: (T0338)L120.N and (T0338)Q122.N only 0.000 apart, marking (T0338)L120.N as missing WARNING: atoms too close: (T0338)L120.CA and (T0338)Q122.CA only 0.000 apart, marking (T0338)L120.CA as missing WARNING: atoms too close: (T0338)E204.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)I205.N and (T0338)P206.N only 0.000 apart, marking (T0338)I205.N as missing WARNING: atoms too close: (T0338)I205.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)E216.C and (T0338)T221.C only 0.000 apart, marking (T0338)T221.C as missing WARNING: atoms too close: (T0338)Y217.N and (T0338)V222.N only 0.000 apart, marking (T0338)Y217.N as missing WARNING: atoms too close: (T0338)Y217.CA and (T0338)V222.CA only 0.000 apart, marking (T0338)Y217.CA as missing # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0338.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0338)I98.C and (T0338)E109.C only 0.000 apart, marking (T0338)E109.C as missing WARNING: atoms too close: (T0338)K99.N and (T0338)P110.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)P110.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)H176.C and (T0338)L177.C only 0.000 apart, marking (T0338)L177.C as missing WARNING: atoms too close: (T0338)L177.N and (T0338)T178.N only 0.000 apart, marking (T0338)L177.N as missing WARNING: atoms too close: (T0338)L177.CA and (T0338)T178.CA only 0.000 apart, marking (T0338)L177.CA as missing WARNING: atoms too close: (T0338)P220.C and (T0338)V222.C only 0.000 apart, marking (T0338)V222.C as missing WARNING: atoms too close: (T0338)T221.N and (T0338)T223.N only 0.000 apart, marking (T0338)T221.N as missing WARNING: atoms too close: (T0338)T221.CA and (T0338)T223.CA only 0.000 apart, marking (T0338)T221.CA as missing # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0338.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0338)E89.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)A103.N only 0.000 apart, marking (T0338)Q90.N as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)Q90.CA as missing WARNING: atoms too close: (T0338)Y119.C and (T0338)Q121.C only 0.000 apart, marking (T0338)Q121.C as missing WARNING: atoms too close: (T0338)L120.N and (T0338)Q122.N only 0.000 apart, marking (T0338)L120.N as missing WARNING: atoms too close: (T0338)L120.CA and (T0338)Q122.CA only 0.000 apart, marking (T0338)L120.CA as missing WARNING: atoms too close: (T0338)H176.C and (T0338)L177.C only 0.000 apart, marking (T0338)L177.C as missing WARNING: atoms too close: (T0338)L177.N and (T0338)T178.N only 0.000 apart, marking (T0338)L177.N as missing WARNING: atoms too close: (T0338)L177.CA and (T0338)T178.CA only 0.000 apart, marking (T0338)L177.CA as missing WARNING: atoms too close: (T0338)V218.C and (T0338)P220.C only 0.000 apart, marking (T0338)P220.C as missing WARNING: atoms too close: (T0338)D219.N and (T0338)T221.N only 0.000 apart, marking (T0338)D219.N as missing WARNING: atoms too close: (T0338)D219.CA and (T0338)T221.CA only 0.000 apart, marking (T0338)D219.CA as missing # WARNING: incomplete conformation T0338 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 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 243 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 243 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0338.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try1-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try1-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try1-opt2.unpack.gromacs0.repack-nonPC.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try13-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try13-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try13-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try13-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0338.try13-opt2.repack-nonPC.pdb.gz failed. # naming current conformation dimer//try13-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try13-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try13-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try14-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try14-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try14-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try14-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try14-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0338.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz failed. # naming current conformation dimer//try14-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try14-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try15-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try15-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try15-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try15-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try15-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try15-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try15-opt2.unpack.gromacs0.repack-nonPC.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0.repack-nonPC.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try15-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try16-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try16-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try16-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try16-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try16-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try16-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try16-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try17-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try17-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try17-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try17-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try17-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try17-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try17-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try6-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try7-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0338.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1jkw-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1jkw-try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1jkw-try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1jkw-try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1kxu-try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1kxu-try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1kxu-try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1kxu-try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1kxu-try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1kxu-try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1kxu-try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1kxu-try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1kxu-try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1kxu-try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1kxu-try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1kxu-try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1zp2-try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1zp2-try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1zp2-try3-proto.renum.pdb.gz looking for chain 'A' model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1zp2-try3-proto.renum # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1659436322.pdb -s /var/tmp/to_scwrl_1659436322.seq -o /var/tmp/from_scwrl_1659436322.pdb > /var/tmp/scwrl_1659436322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1659436322.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1645387881.pdb -s /var/tmp/to_scwrl_1645387881.seq -o /var/tmp/from_scwrl_1645387881.pdb > /var/tmp/scwrl_1645387881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645387881.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1387502669.pdb -s /var/tmp/to_scwrl_1387502669.seq -o /var/tmp/from_scwrl_1387502669.pdb > /var/tmp/scwrl_1387502669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1387502669.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_134641246.pdb -s /var/tmp/to_scwrl_134641246.seq -o /var/tmp/from_scwrl_134641246.pdb > /var/tmp/scwrl_134641246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134641246.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1177803625.pdb -s /var/tmp/to_scwrl_1177803625.seq -o /var/tmp/from_scwrl_1177803625.pdb > /var/tmp/scwrl_1177803625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177803625.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_831907956.pdb -s /var/tmp/to_scwrl_831907956.seq -o /var/tmp/from_scwrl_831907956.pdb > /var/tmp/scwrl_831907956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_831907956.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1046070623.pdb -s /var/tmp/to_scwrl_1046070623.seq -o /var/tmp/from_scwrl_1046070623.pdb > /var/tmp/scwrl_1046070623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1046070623.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1634033894.pdb -s /var/tmp/to_scwrl_1634033894.seq -o /var/tmp/from_scwrl_1634033894.pdb > /var/tmp/scwrl_1634033894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1634033894.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1498672721.pdb -s /var/tmp/to_scwrl_1498672721.seq -o /var/tmp/from_scwrl_1498672721.pdb > /var/tmp/scwrl_1498672721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1498672721.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_838029322.pdb -s /var/tmp/to_scwrl_838029322.seq -o /var/tmp/from_scwrl_838029322.pdb > /var/tmp/scwrl_838029322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838029322.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1945750938.pdb -s /var/tmp/to_scwrl_1945750938.seq -o /var/tmp/from_scwrl_1945750938.pdb > /var/tmp/scwrl_1945750938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1945750938.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_300684808.pdb -s /var/tmp/to_scwrl_300684808.seq -o /var/tmp/from_scwrl_300684808.pdb > /var/tmp/scwrl_300684808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300684808.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_709530855.pdb -s /var/tmp/to_scwrl_709530855.seq -o /var/tmp/from_scwrl_709530855.pdb > /var/tmp/scwrl_709530855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709530855.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_977853544.pdb -s /var/tmp/to_scwrl_977853544.seq -o /var/tmp/from_scwrl_977853544.pdb > /var/tmp/scwrl_977853544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_977853544.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 T0338 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1871024485.pdb -s /var/tmp/to_scwrl_1871024485.seq -o /var/tmp/from_scwrl_1871024485.pdb > /var/tmp/scwrl_1871024485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1871024485.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 210 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2128139877.pdb -s /var/tmp/to_scwrl_2128139877.seq -o /var/tmp/from_scwrl_2128139877.pdb > /var/tmp/scwrl_2128139877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128139877.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 5 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_370270149.pdb -s /var/tmp/to_scwrl_370270149.seq -o /var/tmp/from_scwrl_370270149.pdb > /var/tmp/scwrl_370270149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_370270149.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 180 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_83578351.pdb -s /var/tmp/to_scwrl_83578351.seq -o /var/tmp/from_scwrl_83578351.pdb > /var/tmp/scwrl_83578351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_83578351.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 # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1926965076.pdb -s /var/tmp/to_scwrl_1926965076.seq -o /var/tmp/from_scwrl_1926965076.pdb > /var/tmp/scwrl_1926965076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1926965076.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 181 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1543219338.pdb -s /var/tmp/to_scwrl_1543219338.seq -o /var/tmp/from_scwrl_1543219338.pdb > /var/tmp/scwrl_1543219338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543219338.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 220 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1611337304.pdb -s /var/tmp/to_scwrl_1611337304.seq -o /var/tmp/from_scwrl_1611337304.pdb > /var/tmp/scwrl_1611337304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611337304.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 190 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_727050345.pdb -s /var/tmp/to_scwrl_727050345.seq -o /var/tmp/from_scwrl_727050345.pdb > /var/tmp/scwrl_727050345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_727050345.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 231 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_997727268.pdb -s /var/tmp/to_scwrl_997727268.seq -o /var/tmp/from_scwrl_997727268.pdb > /var/tmp/scwrl_997727268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_997727268.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 226 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_969132200.pdb -s /var/tmp/to_scwrl_969132200.seq -o /var/tmp/from_scwrl_969132200.pdb > /var/tmp/scwrl_969132200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_969132200.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 248 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_701154786.pdb -s /var/tmp/to_scwrl_701154786.seq -o /var/tmp/from_scwrl_701154786.pdb > /var/tmp/scwrl_701154786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701154786.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 118 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_247065057.pdb -s /var/tmp/to_scwrl_247065057.seq -o /var/tmp/from_scwrl_247065057.pdb > /var/tmp/scwrl_247065057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_247065057.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 219 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_669701535.pdb -s /var/tmp/to_scwrl_669701535.seq -o /var/tmp/from_scwrl_669701535.pdb > /var/tmp/scwrl_669701535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669701535.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 220 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_90784772.pdb -s /var/tmp/to_scwrl_90784772.seq -o /var/tmp/from_scwrl_90784772.pdb > /var/tmp/scwrl_90784772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_90784772.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 246 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_211022141.pdb -s /var/tmp/to_scwrl_211022141.seq -o /var/tmp/from_scwrl_211022141.pdb > /var/tmp/scwrl_211022141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211022141.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 246 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1843094437.pdb -s /var/tmp/to_scwrl_1843094437.seq -o /var/tmp/from_scwrl_1843094437.pdb > /var/tmp/scwrl_1843094437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1843094437.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 213 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_458422052.pdb -s /var/tmp/to_scwrl_458422052.seq -o /var/tmp/from_scwrl_458422052.pdb > /var/tmp/scwrl_458422052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_458422052.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 246 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1870458463.pdb -s /var/tmp/to_scwrl_1870458463.seq -o /var/tmp/from_scwrl_1870458463.pdb > /var/tmp/scwrl_1870458463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1870458463.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1340998671.pdb -s /var/tmp/to_scwrl_1340998671.seq -o /var/tmp/from_scwrl_1340998671.pdb > /var/tmp/scwrl_1340998671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340998671.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1845924721.pdb -s /var/tmp/to_scwrl_1845924721.seq -o /var/tmp/from_scwrl_1845924721.pdb > /var/tmp/scwrl_1845924721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845924721.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2005099710.pdb -s /var/tmp/to_scwrl_2005099710.seq -o /var/tmp/from_scwrl_2005099710.pdb > /var/tmp/scwrl_2005099710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005099710.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_371318650.pdb -s /var/tmp/to_scwrl_371318650.seq -o /var/tmp/from_scwrl_371318650.pdb > /var/tmp/scwrl_371318650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_371318650.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_530349031.pdb -s /var/tmp/to_scwrl_530349031.seq -o /var/tmp/from_scwrl_530349031.pdb > /var/tmp/scwrl_530349031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530349031.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_903686686.pdb -s /var/tmp/to_scwrl_903686686.seq -o /var/tmp/from_scwrl_903686686.pdb > /var/tmp/scwrl_903686686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903686686.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 T0338 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2005352545.pdb -s /var/tmp/to_scwrl_2005352545.seq -o /var/tmp/from_scwrl_2005352545.pdb > /var/tmp/scwrl_2005352545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005352545.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 T0338 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2029021752.pdb -s /var/tmp/to_scwrl_2029021752.seq -o /var/tmp/from_scwrl_2029021752.pdb > /var/tmp/scwrl_2029021752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029021752.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 T0338 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1741716007.pdb -s /var/tmp/to_scwrl_1741716007.seq -o /var/tmp/from_scwrl_1741716007.pdb > /var/tmp/scwrl_1741716007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741716007.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 T0338 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1803619836.pdb -s /var/tmp/to_scwrl_1803619836.seq -o /var/tmp/from_scwrl_1803619836.pdb > /var/tmp/scwrl_1803619836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803619836.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 T0338 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_182222914.pdb -s /var/tmp/to_scwrl_182222914.seq -o /var/tmp/from_scwrl_182222914.pdb > /var/tmp/scwrl_182222914.log Error: Couldn't open file /var/tmp/from_scwrl_182222914.pdb or /var/tmp/from_scwrl_182222914.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_182222914_b.pdb or decoys//var/tmp/from_scwrl_182222914_b.pdb.gz for input Trying /var/tmp/from_scwrl_182222914_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_182222914_b.pdb or /var/tmp/from_scwrl_182222914_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_182222914_a.pdb or decoys//var/tmp/from_scwrl_182222914_a.pdb.gz for input Trying /var/tmp/from_scwrl_182222914_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_182222914_a.pdb or /var/tmp/from_scwrl_182222914_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_182222914.pdb or /var/tmp/from_scwrl_182222914_b.pdb or /var/tmp/from_scwrl_182222914_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 T0338 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_303763215.pdb -s /var/tmp/to_scwrl_303763215.seq -o /var/tmp/from_scwrl_303763215.pdb > /var/tmp/scwrl_303763215.log Error: Couldn't open file /var/tmp/from_scwrl_303763215.pdb or /var/tmp/from_scwrl_303763215.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_303763215_b.pdb or decoys//var/tmp/from_scwrl_303763215_b.pdb.gz for input Trying /var/tmp/from_scwrl_303763215_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_303763215_b.pdb or /var/tmp/from_scwrl_303763215_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_303763215_a.pdb or decoys//var/tmp/from_scwrl_303763215_a.pdb.gz for input Trying /var/tmp/from_scwrl_303763215_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_303763215_a.pdb or /var/tmp/from_scwrl_303763215_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_303763215.pdb or /var/tmp/from_scwrl_303763215_b.pdb or /var/tmp/from_scwrl_303763215_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 T0338 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_633989733.pdb -s /var/tmp/to_scwrl_633989733.seq -o /var/tmp/from_scwrl_633989733.pdb > /var/tmp/scwrl_633989733.log Error: Couldn't open file /var/tmp/from_scwrl_633989733.pdb or /var/tmp/from_scwrl_633989733.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_633989733_b.pdb or decoys//var/tmp/from_scwrl_633989733_b.pdb.gz for input Trying /var/tmp/from_scwrl_633989733_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_633989733_b.pdb or /var/tmp/from_scwrl_633989733_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_633989733_a.pdb or decoys//var/tmp/from_scwrl_633989733_a.pdb.gz for input Trying /var/tmp/from_scwrl_633989733_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_633989733_a.pdb or /var/tmp/from_scwrl_633989733_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_633989733.pdb or /var/tmp/from_scwrl_633989733_b.pdb or /var/tmp/from_scwrl_633989733_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 T0338 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2053247399.pdb -s /var/tmp/to_scwrl_2053247399.seq -o /var/tmp/from_scwrl_2053247399.pdb > /var/tmp/scwrl_2053247399.log Error: Couldn't open file /var/tmp/from_scwrl_2053247399.pdb or /var/tmp/from_scwrl_2053247399.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2053247399_b.pdb or decoys//var/tmp/from_scwrl_2053247399_b.pdb.gz for input Trying /var/tmp/from_scwrl_2053247399_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2053247399_b.pdb or /var/tmp/from_scwrl_2053247399_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2053247399_a.pdb or decoys//var/tmp/from_scwrl_2053247399_a.pdb.gz for input Trying /var/tmp/from_scwrl_2053247399_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2053247399_a.pdb or /var/tmp/from_scwrl_2053247399_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2053247399.pdb or /var/tmp/from_scwrl_2053247399_b.pdb or /var/tmp/from_scwrl_2053247399_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 T0338 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_284419445.pdb -s /var/tmp/to_scwrl_284419445.seq -o /var/tmp/from_scwrl_284419445.pdb > /var/tmp/scwrl_284419445.log Error: Couldn't open file /var/tmp/from_scwrl_284419445.pdb or /var/tmp/from_scwrl_284419445.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_284419445_b.pdb or decoys//var/tmp/from_scwrl_284419445_b.pdb.gz for input Trying /var/tmp/from_scwrl_284419445_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_284419445_b.pdb or /var/tmp/from_scwrl_284419445_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_284419445_a.pdb or decoys//var/tmp/from_scwrl_284419445_a.pdb.gz for input Trying /var/tmp/from_scwrl_284419445_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_284419445_a.pdb or /var/tmp/from_scwrl_284419445_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_284419445.pdb or /var/tmp/from_scwrl_284419445_b.pdb or /var/tmp/from_scwrl_284419445_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1004259882.pdb -s /var/tmp/to_scwrl_1004259882.seq -o /var/tmp/from_scwrl_1004259882.pdb > /var/tmp/scwrl_1004259882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1004259882.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 T0338 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2136825750.pdb -s /var/tmp/to_scwrl_2136825750.seq -o /var/tmp/from_scwrl_2136825750.pdb > /var/tmp/scwrl_2136825750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2136825750.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_63900875.pdb -s /var/tmp/to_scwrl_63900875.seq -o /var/tmp/from_scwrl_63900875.pdb > /var/tmp/scwrl_63900875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_63900875.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 T0338 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_399995574.pdb -s /var/tmp/to_scwrl_399995574.seq -o /var/tmp/from_scwrl_399995574.pdb > /var/tmp/scwrl_399995574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399995574.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 T0338 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1600679408.pdb -s /var/tmp/to_scwrl_1600679408.seq -o /var/tmp/from_scwrl_1600679408.pdb > /var/tmp/scwrl_1600679408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1600679408.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 245 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_790951220.pdb -s /var/tmp/to_scwrl_790951220.seq -o /var/tmp/from_scwrl_790951220.pdb > /var/tmp/scwrl_790951220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790951220.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1397722841.pdb -s /var/tmp/to_scwrl_1397722841.seq -o /var/tmp/from_scwrl_1397722841.pdb > /var/tmp/scwrl_1397722841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1397722841.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 T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_422327961.pdb -s /var/tmp/to_scwrl_422327961.seq -o /var/tmp/from_scwrl_422327961.pdb > /var/tmp/scwrl_422327961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422327961.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 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1492106005.pdb -s /var/tmp/to_scwrl_1492106005.seq -o /var/tmp/from_scwrl_1492106005.pdb > /var/tmp/scwrl_1492106005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1492106005.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1644787898.pdb -s /var/tmp/to_scwrl_1644787898.seq -o /var/tmp/from_scwrl_1644787898.pdb > /var/tmp/scwrl_1644787898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1644787898.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 119 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1092029495.pdb -s /var/tmp/to_scwrl_1092029495.seq -o /var/tmp/from_scwrl_1092029495.pdb > /var/tmp/scwrl_1092029495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092029495.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1582890777.pdb -s /var/tmp/to_scwrl_1582890777.seq -o /var/tmp/from_scwrl_1582890777.pdb > /var/tmp/scwrl_1582890777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1582890777.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1855810039.pdb -s /var/tmp/to_scwrl_1855810039.seq -o /var/tmp/from_scwrl_1855810039.pdb > /var/tmp/scwrl_1855810039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1855810039.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 # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_787640286.pdb -s /var/tmp/to_scwrl_787640286.seq -o /var/tmp/from_scwrl_787640286.pdb > /var/tmp/scwrl_787640286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_787640286.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 178 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2041312829.pdb -s /var/tmp/to_scwrl_2041312829.seq -o /var/tmp/from_scwrl_2041312829.pdb > /var/tmp/scwrl_2041312829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2041312829.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 T0338 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1578784856.pdb -s /var/tmp/to_scwrl_1578784856.seq -o /var/tmp/from_scwrl_1578784856.pdb > /var/tmp/scwrl_1578784856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1578784856.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2128638958.pdb -s /var/tmp/to_scwrl_2128638958.seq -o /var/tmp/from_scwrl_2128638958.pdb > /var/tmp/scwrl_2128638958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128638958.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 T0338 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1739753904.pdb -s /var/tmp/to_scwrl_1739753904.seq -o /var/tmp/from_scwrl_1739753904.pdb > /var/tmp/scwrl_1739753904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1739753904.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 T0338 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1436400919.pdb -s /var/tmp/to_scwrl_1436400919.seq -o /var/tmp/from_scwrl_1436400919.pdb > /var/tmp/scwrl_1436400919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1436400919.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_352473961.pdb -s /var/tmp/to_scwrl_352473961.seq -o /var/tmp/from_scwrl_352473961.pdb > /var/tmp/scwrl_352473961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352473961.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 T0338 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_122619288.pdb -s /var/tmp/to_scwrl_122619288.seq -o /var/tmp/from_scwrl_122619288.pdb > /var/tmp/scwrl_122619288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122619288.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 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_192603958.pdb -s /var/tmp/to_scwrl_192603958.seq -o /var/tmp/from_scwrl_192603958.pdb > /var/tmp/scwrl_192603958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192603958.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_210342859.pdb -s /var/tmp/to_scwrl_210342859.seq -o /var/tmp/from_scwrl_210342859.pdb > /var/tmp/scwrl_210342859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_210342859.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 T0338 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_4157393.pdb -s /var/tmp/to_scwrl_4157393.seq -o /var/tmp/from_scwrl_4157393.pdb > /var/tmp/scwrl_4157393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4157393.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 T0338 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1934319966.pdb -s /var/tmp/to_scwrl_1934319966.seq -o /var/tmp/from_scwrl_1934319966.pdb > /var/tmp/scwrl_1934319966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934319966.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 253 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2013962696.pdb -s /var/tmp/to_scwrl_2013962696.seq -o /var/tmp/from_scwrl_2013962696.pdb > /var/tmp/scwrl_2013962696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013962696.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_186380307.pdb -s /var/tmp/to_scwrl_186380307.seq -o /var/tmp/from_scwrl_186380307.pdb > /var/tmp/scwrl_186380307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_186380307.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 244 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_90599534.pdb -s /var/tmp/to_scwrl_90599534.seq -o /var/tmp/from_scwrl_90599534.pdb > /var/tmp/scwrl_90599534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_90599534.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 218 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_500468782.pdb -s /var/tmp/to_scwrl_500468782.seq -o /var/tmp/from_scwrl_500468782.pdb > /var/tmp/scwrl_500468782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_500468782.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 255 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_92144059.pdb -s /var/tmp/to_scwrl_92144059.seq -o /var/tmp/from_scwrl_92144059.pdb > /var/tmp/scwrl_92144059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92144059.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_375018980.pdb -s /var/tmp/to_scwrl_375018980.seq -o /var/tmp/from_scwrl_375018980.pdb > /var/tmp/scwrl_375018980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_375018980.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1504728664.pdb -s /var/tmp/to_scwrl_1504728664.seq -o /var/tmp/from_scwrl_1504728664.pdb > /var/tmp/scwrl_1504728664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504728664.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_81486163.pdb -s /var/tmp/to_scwrl_81486163.seq -o /var/tmp/from_scwrl_81486163.pdb > /var/tmp/scwrl_81486163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_81486163.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_438919855.pdb -s /var/tmp/to_scwrl_438919855.seq -o /var/tmp/from_scwrl_438919855.pdb > /var/tmp/scwrl_438919855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_438919855.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 112 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1904724238.pdb -s /var/tmp/to_scwrl_1904724238.seq -o /var/tmp/from_scwrl_1904724238.pdb > /var/tmp/scwrl_1904724238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1904724238.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 T0338 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1682165571.pdb -s /var/tmp/to_scwrl_1682165571.seq -o /var/tmp/from_scwrl_1682165571.pdb > /var/tmp/scwrl_1682165571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1682165571.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 T0338 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1229871074.pdb -s /var/tmp/to_scwrl_1229871074.seq -o /var/tmp/from_scwrl_1229871074.pdb > /var/tmp/scwrl_1229871074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229871074.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 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1154963432.pdb -s /var/tmp/to_scwrl_1154963432.seq -o /var/tmp/from_scwrl_1154963432.pdb > /var/tmp/scwrl_1154963432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154963432.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 T0338 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2104493532.pdb -s /var/tmp/to_scwrl_2104493532.seq -o /var/tmp/from_scwrl_2104493532.pdb > /var/tmp/scwrl_2104493532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2104493532.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 T0338 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_574493433.pdb -s /var/tmp/to_scwrl_574493433.seq -o /var/tmp/from_scwrl_574493433.pdb > /var/tmp/scwrl_574493433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574493433.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 246 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_652267685.pdb -s /var/tmp/to_scwrl_652267685.seq -o /var/tmp/from_scwrl_652267685.pdb > /var/tmp/scwrl_652267685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652267685.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 245 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1049039381.pdb -s /var/tmp/to_scwrl_1049039381.seq -o /var/tmp/from_scwrl_1049039381.pdb > /var/tmp/scwrl_1049039381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049039381.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 241 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_9900564.pdb -s /var/tmp/to_scwrl_9900564.seq -o /var/tmp/from_scwrl_9900564.pdb > /var/tmp/scwrl_9900564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_9900564.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 251 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_360594077.pdb -s /var/tmp/to_scwrl_360594077.seq -o /var/tmp/from_scwrl_360594077.pdb > /var/tmp/scwrl_360594077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_360594077.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 238 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1836679667.pdb -s /var/tmp/to_scwrl_1836679667.seq -o /var/tmp/from_scwrl_1836679667.pdb > /var/tmp/scwrl_1836679667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1836679667.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 234 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2051213393.pdb -s /var/tmp/to_scwrl_2051213393.seq -o /var/tmp/from_scwrl_2051213393.pdb > /var/tmp/scwrl_2051213393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051213393.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1939378933.pdb -s /var/tmp/to_scwrl_1939378933.seq -o /var/tmp/from_scwrl_1939378933.pdb > /var/tmp/scwrl_1939378933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939378933.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1817834978.pdb -s /var/tmp/to_scwrl_1817834978.seq -o /var/tmp/from_scwrl_1817834978.pdb > /var/tmp/scwrl_1817834978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1817834978.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 179 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1643483650.pdb -s /var/tmp/to_scwrl_1643483650.seq -o /var/tmp/from_scwrl_1643483650.pdb > /var/tmp/scwrl_1643483650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643483650.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1228296205.pdb -s /var/tmp/to_scwrl_1228296205.seq -o /var/tmp/from_scwrl_1228296205.pdb > /var/tmp/scwrl_1228296205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228296205.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_22825292.pdb -s /var/tmp/to_scwrl_22825292.seq -o /var/tmp/from_scwrl_22825292.pdb > /var/tmp/scwrl_22825292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_22825292.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 216 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1766102938.pdb -s /var/tmp/to_scwrl_1766102938.seq -o /var/tmp/from_scwrl_1766102938.pdb > /var/tmp/scwrl_1766102938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1766102938.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 231 ; scwrl3 -i /var/tmp/to_scwrl_1420900164.pdb -s /var/tmp/to_scwrl_1420900164.seq -o /var/tmp/from_scwrl_1420900164.pdb > /var/tmp/scwrl_1420900164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1420900164.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 67 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_233168152.pdb -s /var/tmp/to_scwrl_233168152.seq -o /var/tmp/from_scwrl_233168152.pdb > /var/tmp/scwrl_233168152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_233168152.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 222 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1770260332.pdb -s /var/tmp/to_scwrl_1770260332.seq -o /var/tmp/from_scwrl_1770260332.pdb > /var/tmp/scwrl_1770260332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1770260332.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 T0338 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1207736483.pdb -s /var/tmp/to_scwrl_1207736483.seq -o /var/tmp/from_scwrl_1207736483.pdb > /var/tmp/scwrl_1207736483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1207736483.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 T0338 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_99647201.pdb -s /var/tmp/to_scwrl_99647201.seq -o /var/tmp/from_scwrl_99647201.pdb > /var/tmp/scwrl_99647201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_99647201.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 T0338 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1956640639.pdb -s /var/tmp/to_scwrl_1956640639.seq -o /var/tmp/from_scwrl_1956640639.pdb > /var/tmp/scwrl_1956640639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956640639.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 T0338 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1298336017.pdb -s /var/tmp/to_scwrl_1298336017.seq -o /var/tmp/from_scwrl_1298336017.pdb > /var/tmp/scwrl_1298336017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1298336017.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 T0338 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_600115983.pdb -s /var/tmp/to_scwrl_600115983.seq -o /var/tmp/from_scwrl_600115983.pdb > /var/tmp/scwrl_600115983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_600115983.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 T0338 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2048784699.pdb -s /var/tmp/to_scwrl_2048784699.seq -o /var/tmp/from_scwrl_2048784699.pdb > /var/tmp/scwrl_2048784699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048784699.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 T0338 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1673354997.pdb -s /var/tmp/to_scwrl_1673354997.seq -o /var/tmp/from_scwrl_1673354997.pdb > /var/tmp/scwrl_1673354997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1673354997.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 T0338 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2104844647.pdb -s /var/tmp/to_scwrl_2104844647.seq -o /var/tmp/from_scwrl_2104844647.pdb > /var/tmp/scwrl_2104844647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2104844647.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 T0338 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2130270862.pdb -s /var/tmp/to_scwrl_2130270862.seq -o /var/tmp/from_scwrl_2130270862.pdb > /var/tmp/scwrl_2130270862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2130270862.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 T0338 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2112274852.pdb -s /var/tmp/to_scwrl_2112274852.seq -o /var/tmp/from_scwrl_2112274852.pdb > /var/tmp/scwrl_2112274852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2112274852.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 T0338 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1862085238.pdb -s /var/tmp/to_scwrl_1862085238.seq -o /var/tmp/from_scwrl_1862085238.pdb > /var/tmp/scwrl_1862085238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1862085238.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1664952786.pdb -s /var/tmp/to_scwrl_1664952786.seq -o /var/tmp/from_scwrl_1664952786.pdb > /var/tmp/scwrl_1664952786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1664952786.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1194662279.pdb -s /var/tmp/to_scwrl_1194662279.seq -o /var/tmp/from_scwrl_1194662279.pdb > /var/tmp/scwrl_1194662279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1194662279.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_869565025.pdb -s /var/tmp/to_scwrl_869565025.seq -o /var/tmp/from_scwrl_869565025.pdb > /var/tmp/scwrl_869565025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_869565025.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1621962671.pdb -s /var/tmp/to_scwrl_1621962671.seq -o /var/tmp/from_scwrl_1621962671.pdb > /var/tmp/scwrl_1621962671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621962671.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1769155713.pdb -s /var/tmp/to_scwrl_1769155713.seq -o /var/tmp/from_scwrl_1769155713.pdb > /var/tmp/scwrl_1769155713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769155713.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1521832709.pdb -s /var/tmp/to_scwrl_1521832709.seq -o /var/tmp/from_scwrl_1521832709.pdb > /var/tmp/scwrl_1521832709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521832709.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 183 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_523518405.pdb -s /var/tmp/to_scwrl_523518405.seq -o /var/tmp/from_scwrl_523518405.pdb > /var/tmp/scwrl_523518405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523518405.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 24 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1779056277.pdb -s /var/tmp/to_scwrl_1779056277.seq -o /var/tmp/from_scwrl_1779056277.pdb > /var/tmp/scwrl_1779056277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779056277.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 179 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1882426786.pdb -s /var/tmp/to_scwrl_1882426786.seq -o /var/tmp/from_scwrl_1882426786.pdb > /var/tmp/scwrl_1882426786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882426786.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 182 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_212714425.pdb -s /var/tmp/to_scwrl_212714425.seq -o /var/tmp/from_scwrl_212714425.pdb > /var/tmp/scwrl_212714425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_212714425.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 246 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1682786023.pdb -s /var/tmp/to_scwrl_1682786023.seq -o /var/tmp/from_scwrl_1682786023.pdb > /var/tmp/scwrl_1682786023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1682786023.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 254 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1674322073.pdb -s /var/tmp/to_scwrl_1674322073.seq -o /var/tmp/from_scwrl_1674322073.pdb > /var/tmp/scwrl_1674322073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1674322073.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 241 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2030549403.pdb -s /var/tmp/to_scwrl_2030549403.seq -o /var/tmp/from_scwrl_2030549403.pdb > /var/tmp/scwrl_2030549403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030549403.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 220 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1178786027.pdb -s /var/tmp/to_scwrl_1178786027.seq -o /var/tmp/from_scwrl_1178786027.pdb > /var/tmp/scwrl_1178786027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178786027.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 243 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_755134632.pdb -s /var/tmp/to_scwrl_755134632.seq -o /var/tmp/from_scwrl_755134632.pdb > /var/tmp/scwrl_755134632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755134632.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 T0338 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2053374696.pdb -s /var/tmp/to_scwrl_2053374696.seq -o /var/tmp/from_scwrl_2053374696.pdb > /var/tmp/scwrl_2053374696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2053374696.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_797405319.pdb -s /var/tmp/to_scwrl_797405319.seq -o /var/tmp/from_scwrl_797405319.pdb > /var/tmp/scwrl_797405319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_797405319.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_28551149.pdb -s /var/tmp/to_scwrl_28551149.seq -o /var/tmp/from_scwrl_28551149.pdb > /var/tmp/scwrl_28551149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_28551149.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_139059201.pdb -s /var/tmp/to_scwrl_139059201.seq -o /var/tmp/from_scwrl_139059201.pdb > /var/tmp/scwrl_139059201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_139059201.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_420182004.pdb -s /var/tmp/to_scwrl_420182004.seq -o /var/tmp/from_scwrl_420182004.pdb > /var/tmp/scwrl_420182004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420182004.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1236287632.pdb -s /var/tmp/to_scwrl_1236287632.seq -o /var/tmp/from_scwrl_1236287632.pdb > /var/tmp/scwrl_1236287632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1236287632.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_238706402.pdb -s /var/tmp/to_scwrl_238706402.seq -o /var/tmp/from_scwrl_238706402.pdb > /var/tmp/scwrl_238706402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_238706402.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_229338997.pdb -s /var/tmp/to_scwrl_229338997.seq -o /var/tmp/from_scwrl_229338997.pdb > /var/tmp/scwrl_229338997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_229338997.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 231 ; scwrl3 -i /var/tmp/to_scwrl_387140004.pdb -s /var/tmp/to_scwrl_387140004.seq -o /var/tmp/from_scwrl_387140004.pdb > /var/tmp/scwrl_387140004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_387140004.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 231 ; scwrl3 -i /var/tmp/to_scwrl_838822385.pdb -s /var/tmp/to_scwrl_838822385.seq -o /var/tmp/from_scwrl_838822385.pdb > /var/tmp/scwrl_838822385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838822385.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 231 ; scwrl3 -i /var/tmp/to_scwrl_130640049.pdb -s /var/tmp/to_scwrl_130640049.seq -o /var/tmp/from_scwrl_130640049.pdb > /var/tmp/scwrl_130640049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_130640049.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2060495001.pdb -s /var/tmp/to_scwrl_2060495001.seq -o /var/tmp/from_scwrl_2060495001.pdb > /var/tmp/scwrl_2060495001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2060495001.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_796183386.pdb -s /var/tmp/to_scwrl_796183386.seq -o /var/tmp/from_scwrl_796183386.pdb > /var/tmp/scwrl_796183386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_796183386.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_113427264.pdb -s /var/tmp/to_scwrl_113427264.seq -o /var/tmp/from_scwrl_113427264.pdb > /var/tmp/scwrl_113427264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113427264.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2025286207.pdb -s /var/tmp/to_scwrl_2025286207.seq -o /var/tmp/from_scwrl_2025286207.pdb > /var/tmp/scwrl_2025286207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2025286207.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_510784977.pdb -s /var/tmp/to_scwrl_510784977.seq -o /var/tmp/from_scwrl_510784977.pdb > /var/tmp/scwrl_510784977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510784977.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 T0338 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1778380050.pdb -s /var/tmp/to_scwrl_1778380050.seq -o /var/tmp/from_scwrl_1778380050.pdb > /var/tmp/scwrl_1778380050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1778380050.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1072464840.pdb -s /var/tmp/to_scwrl_1072464840.seq -o /var/tmp/from_scwrl_1072464840.pdb > /var/tmp/scwrl_1072464840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072464840.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 240 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1380350001.pdb -s /var/tmp/to_scwrl_1380350001.seq -o /var/tmp/from_scwrl_1380350001.pdb > /var/tmp/scwrl_1380350001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1380350001.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1252859074.pdb -s /var/tmp/to_scwrl_1252859074.seq -o /var/tmp/from_scwrl_1252859074.pdb > /var/tmp/scwrl_1252859074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1252859074.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_694136906.pdb -s /var/tmp/to_scwrl_694136906.seq -o /var/tmp/from_scwrl_694136906.pdb > /var/tmp/scwrl_694136906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694136906.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 T0338 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_754699064.pdb -s /var/tmp/to_scwrl_754699064.seq -o /var/tmp/from_scwrl_754699064.pdb > /var/tmp/scwrl_754699064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754699064.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 T0338 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1776377479.pdb -s /var/tmp/to_scwrl_1776377479.seq -o /var/tmp/from_scwrl_1776377479.pdb > /var/tmp/scwrl_1776377479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1776377479.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 T0338 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_325709536.pdb -s /var/tmp/to_scwrl_325709536.seq -o /var/tmp/from_scwrl_325709536.pdb > /var/tmp/scwrl_325709536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_325709536.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 T0338 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_489642204.pdb -s /var/tmp/to_scwrl_489642204.seq -o /var/tmp/from_scwrl_489642204.pdb > /var/tmp/scwrl_489642204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_489642204.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 T0338 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 231 ; scwrl3 -i /var/tmp/to_scwrl_1989091905.pdb -s /var/tmp/to_scwrl_1989091905.seq -o /var/tmp/from_scwrl_1989091905.pdb > /var/tmp/scwrl_1989091905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1989091905.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 T0338 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 231 ; scwrl3 -i /var/tmp/to_scwrl_2008495560.pdb -s /var/tmp/to_scwrl_2008495560.seq -o /var/tmp/from_scwrl_2008495560.pdb > /var/tmp/scwrl_2008495560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2008495560.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_16480630.pdb -s /var/tmp/to_scwrl_16480630.seq -o /var/tmp/from_scwrl_16480630.pdb > /var/tmp/scwrl_16480630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16480630.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1872157661.pdb -s /var/tmp/to_scwrl_1872157661.seq -o /var/tmp/from_scwrl_1872157661.pdb > /var/tmp/scwrl_1872157661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1872157661.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 242 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1039797941.pdb -s /var/tmp/to_scwrl_1039797941.seq -o /var/tmp/from_scwrl_1039797941.pdb > /var/tmp/scwrl_1039797941.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1039797941.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 245 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_771615262.pdb -s /var/tmp/to_scwrl_771615262.seq -o /var/tmp/from_scwrl_771615262.pdb > /var/tmp/scwrl_771615262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771615262.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1778048710.pdb -s /var/tmp/to_scwrl_1778048710.seq -o /var/tmp/from_scwrl_1778048710.pdb > /var/tmp/scwrl_1778048710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1778048710.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 88 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1837203259.pdb -s /var/tmp/to_scwrl_1837203259.seq -o /var/tmp/from_scwrl_1837203259.pdb > /var/tmp/scwrl_1837203259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1837203259.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_800166412.pdb -s /var/tmp/to_scwrl_800166412.seq -o /var/tmp/from_scwrl_800166412.pdb > /var/tmp/scwrl_800166412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_800166412.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 220 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1917107911.pdb -s /var/tmp/to_scwrl_1917107911.seq -o /var/tmp/from_scwrl_1917107911.pdb > /var/tmp/scwrl_1917107911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1917107911.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 179 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_109901617.pdb -s /var/tmp/to_scwrl_109901617.seq -o /var/tmp/from_scwrl_109901617.pdb > /var/tmp/scwrl_109901617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_109901617.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 179 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2036454044.pdb -s /var/tmp/to_scwrl_2036454044.seq -o /var/tmp/from_scwrl_2036454044.pdb > /var/tmp/scwrl_2036454044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2036454044.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 219 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_8330666.pdb -s /var/tmp/to_scwrl_8330666.seq -o /var/tmp/from_scwrl_8330666.pdb > /var/tmp/scwrl_8330666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_8330666.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_339240614.pdb -s /var/tmp/to_scwrl_339240614.seq -o /var/tmp/from_scwrl_339240614.pdb > /var/tmp/scwrl_339240614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_339240614.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 219 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_276110401.pdb -s /var/tmp/to_scwrl_276110401.seq -o /var/tmp/from_scwrl_276110401.pdb > /var/tmp/scwrl_276110401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_276110401.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 254 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_847153052.pdb -s /var/tmp/to_scwrl_847153052.seq -o /var/tmp/from_scwrl_847153052.pdb > /var/tmp/scwrl_847153052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847153052.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 253 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_469880663.pdb -s /var/tmp/to_scwrl_469880663.seq -o /var/tmp/from_scwrl_469880663.pdb > /var/tmp/scwrl_469880663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_469880663.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 177 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_189121756.pdb -s /var/tmp/to_scwrl_189121756.seq -o /var/tmp/from_scwrl_189121756.pdb > /var/tmp/scwrl_189121756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_189121756.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1643336437.pdb -s /var/tmp/to_scwrl_1643336437.seq -o /var/tmp/from_scwrl_1643336437.pdb > /var/tmp/scwrl_1643336437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643336437.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_583307927.pdb -s /var/tmp/to_scwrl_583307927.seq -o /var/tmp/from_scwrl_583307927.pdb > /var/tmp/scwrl_583307927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_583307927.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 # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_66924316.pdb -s /var/tmp/to_scwrl_66924316.seq -o /var/tmp/from_scwrl_66924316.pdb > /var/tmp/scwrl_66924316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_66924316.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 141 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_6637767.pdb -s /var/tmp/to_scwrl_6637767.seq -o /var/tmp/from_scwrl_6637767.pdb > /var/tmp/scwrl_6637767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6637767.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_214204330.pdb -s /var/tmp/to_scwrl_214204330.seq -o /var/tmp/from_scwrl_214204330.pdb > /var/tmp/scwrl_214204330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214204330.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 241 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1139389155.pdb -s /var/tmp/to_scwrl_1139389155.seq -o /var/tmp/from_scwrl_1139389155.pdb > /var/tmp/scwrl_1139389155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139389155.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1386987769.pdb -s /var/tmp/to_scwrl_1386987769.seq -o /var/tmp/from_scwrl_1386987769.pdb > /var/tmp/scwrl_1386987769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386987769.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 179 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1467063404.pdb -s /var/tmp/to_scwrl_1467063404.seq -o /var/tmp/from_scwrl_1467063404.pdb > /var/tmp/scwrl_1467063404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1467063404.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1833526062.pdb -s /var/tmp/to_scwrl_1833526062.seq -o /var/tmp/from_scwrl_1833526062.pdb > /var/tmp/scwrl_1833526062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1833526062.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2141686833.pdb -s /var/tmp/to_scwrl_2141686833.seq -o /var/tmp/from_scwrl_2141686833.pdb > /var/tmp/scwrl_2141686833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2141686833.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1095957236.pdb -s /var/tmp/to_scwrl_1095957236.seq -o /var/tmp/from_scwrl_1095957236.pdb > /var/tmp/scwrl_1095957236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1095957236.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_11751951.pdb -s /var/tmp/to_scwrl_11751951.seq -o /var/tmp/from_scwrl_11751951.pdb > /var/tmp/scwrl_11751951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_11751951.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_483845390.pdb -s /var/tmp/to_scwrl_483845390.seq -o /var/tmp/from_scwrl_483845390.pdb > /var/tmp/scwrl_483845390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_483845390.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_937565495.pdb -s /var/tmp/to_scwrl_937565495.seq -o /var/tmp/from_scwrl_937565495.pdb > /var/tmp/scwrl_937565495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_937565495.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 45, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 46, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 47, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 48, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 265, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 267, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 585, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 586, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 587, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 588, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 605, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 606, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 607, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 608, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 621, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 622, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 623, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 624, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 681, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 682, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 683, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 684, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 713, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 714, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 715, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 716, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 777, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 779, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 865, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 867, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2020247511.pdb -s /var/tmp/to_scwrl_2020247511.seq -o /var/tmp/from_scwrl_2020247511.pdb > /var/tmp/scwrl_2020247511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020247511.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 T0338 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_500326020.pdb -s /var/tmp/to_scwrl_500326020.seq -o /var/tmp/from_scwrl_500326020.pdb > /var/tmp/scwrl_500326020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_500326020.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 T0338 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_662239510.pdb -s /var/tmp/to_scwrl_662239510.seq -o /var/tmp/from_scwrl_662239510.pdb > /var/tmp/scwrl_662239510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662239510.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 T0338 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_912561805.pdb -s /var/tmp/to_scwrl_912561805.seq -o /var/tmp/from_scwrl_912561805.pdb > /var/tmp/scwrl_912561805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912561805.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 T0338 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1271941282.pdb -s /var/tmp/to_scwrl_1271941282.seq -o /var/tmp/from_scwrl_1271941282.pdb > /var/tmp/scwrl_1271941282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1271941282.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_292804573.pdb -s /var/tmp/to_scwrl_292804573.seq -o /var/tmp/from_scwrl_292804573.pdb > /var/tmp/scwrl_292804573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_292804573.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_602281418.pdb -s /var/tmp/to_scwrl_602281418.seq -o /var/tmp/from_scwrl_602281418.pdb > /var/tmp/scwrl_602281418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_602281418.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2072107694.pdb -s /var/tmp/to_scwrl_2072107694.seq -o /var/tmp/from_scwrl_2072107694.pdb > /var/tmp/scwrl_2072107694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072107694.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_62428838.pdb -s /var/tmp/to_scwrl_62428838.seq -o /var/tmp/from_scwrl_62428838.pdb > /var/tmp/scwrl_62428838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_62428838.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_712183035.pdb -s /var/tmp/to_scwrl_712183035.seq -o /var/tmp/from_scwrl_712183035.pdb > /var/tmp/scwrl_712183035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712183035.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 237 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1961078091.pdb -s /var/tmp/to_scwrl_1961078091.seq -o /var/tmp/from_scwrl_1961078091.pdb > /var/tmp/scwrl_1961078091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961078091.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 T0338 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_70759504.pdb -s /var/tmp/to_scwrl_70759504.seq -o /var/tmp/from_scwrl_70759504.pdb > /var/tmp/scwrl_70759504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_70759504.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 T0338 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1051423649.pdb -s /var/tmp/to_scwrl_1051423649.seq -o /var/tmp/from_scwrl_1051423649.pdb > /var/tmp/scwrl_1051423649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1051423649.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 T0338 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_89704846.pdb -s /var/tmp/to_scwrl_89704846.seq -o /var/tmp/from_scwrl_89704846.pdb > /var/tmp/scwrl_89704846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89704846.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 T0338 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_917912556.pdb -s /var/tmp/to_scwrl_917912556.seq -o /var/tmp/from_scwrl_917912556.pdb > /var/tmp/scwrl_917912556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917912556.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1521304311.pdb -s /var/tmp/to_scwrl_1521304311.seq -o /var/tmp/from_scwrl_1521304311.pdb > /var/tmp/scwrl_1521304311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521304311.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 175 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_278826602.pdb -s /var/tmp/to_scwrl_278826602.seq -o /var/tmp/from_scwrl_278826602.pdb > /var/tmp/scwrl_278826602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_278826602.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 71 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_413765346.pdb -s /var/tmp/to_scwrl_413765346.seq -o /var/tmp/from_scwrl_413765346.pdb > /var/tmp/scwrl_413765346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_413765346.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 95 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2104612238.pdb -s /var/tmp/to_scwrl_2104612238.seq -o /var/tmp/from_scwrl_2104612238.pdb > /var/tmp/scwrl_2104612238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2104612238.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 179 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_345750918.pdb -s /var/tmp/to_scwrl_345750918.seq -o /var/tmp/from_scwrl_345750918.pdb > /var/tmp/scwrl_345750918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_345750918.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 175 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_420403114.pdb -s /var/tmp/to_scwrl_420403114.seq -o /var/tmp/from_scwrl_420403114.pdb > /var/tmp/scwrl_420403114.log sh: line 1: 9475 Killed scwrl3 -i /var/tmp/to_scwrl_420403114.pdb -s /var/tmp/to_scwrl_420403114.seq -o /var/tmp/from_scwrl_420403114.pdb >/var/tmp/scwrl_420403114.log Error: Couldn't open file /var/tmp/from_scwrl_420403114.pdb or /var/tmp/from_scwrl_420403114.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_420403114_b.pdb or decoys//var/tmp/from_scwrl_420403114_b.pdb.gz for input Trying /var/tmp/from_scwrl_420403114_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_420403114_b.pdb or /var/tmp/from_scwrl_420403114_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_420403114_a.pdb or decoys//var/tmp/from_scwrl_420403114_a.pdb.gz for input Trying /var/tmp/from_scwrl_420403114_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_420403114_a.pdb or /var/tmp/from_scwrl_420403114_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_420403114.pdb or /var/tmp/from_scwrl_420403114_b.pdb or /var/tmp/from_scwrl_420403114_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_171332921.pdb -s /var/tmp/to_scwrl_171332921.seq -o /var/tmp/from_scwrl_171332921.pdb > /var/tmp/scwrl_171332921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171332921.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 179 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1485140073.pdb -s /var/tmp/to_scwrl_1485140073.seq -o /var/tmp/from_scwrl_1485140073.pdb > /var/tmp/scwrl_1485140073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485140073.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 177 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1807390883.pdb -s /var/tmp/to_scwrl_1807390883.seq -o /var/tmp/from_scwrl_1807390883.pdb > /var/tmp/scwrl_1807390883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1807390883.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 219 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1638396325.pdb -s /var/tmp/to_scwrl_1638396325.seq -o /var/tmp/from_scwrl_1638396325.pdb > /var/tmp/scwrl_1638396325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1638396325.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 176 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1171182488.pdb -s /var/tmp/to_scwrl_1171182488.seq -o /var/tmp/from_scwrl_1171182488.pdb > /var/tmp/scwrl_1171182488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171182488.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 177 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1801594069.pdb -s /var/tmp/to_scwrl_1801594069.seq -o /var/tmp/from_scwrl_1801594069.pdb > /var/tmp/scwrl_1801594069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1801594069.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 218 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_586869915.pdb -s /var/tmp/to_scwrl_586869915.seq -o /var/tmp/from_scwrl_586869915.pdb > /var/tmp/scwrl_586869915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_586869915.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 182 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1182934440.pdb -s /var/tmp/to_scwrl_1182934440.seq -o /var/tmp/from_scwrl_1182934440.pdb > /var/tmp/scwrl_1182934440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1182934440.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_137955813.pdb -s /var/tmp/to_scwrl_137955813.seq -o /var/tmp/from_scwrl_137955813.pdb > /var/tmp/scwrl_137955813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_137955813.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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1524435410.pdb -s /var/tmp/to_scwrl_1524435410.seq -o /var/tmp/from_scwrl_1524435410.pdb > /var/tmp/scwrl_1524435410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524435410.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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1055698305.pdb -s /var/tmp/to_scwrl_1055698305.seq -o /var/tmp/from_scwrl_1055698305.pdb > /var/tmp/scwrl_1055698305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1055698305.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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_638281833.pdb -s /var/tmp/to_scwrl_638281833.seq -o /var/tmp/from_scwrl_638281833.pdb > /var/tmp/scwrl_638281833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_638281833.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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_39191273.pdb -s /var/tmp/to_scwrl_39191273.seq -o /var/tmp/from_scwrl_39191273.pdb > /var/tmp/scwrl_39191273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_39191273.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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1968260110.pdb -s /var/tmp/to_scwrl_1968260110.seq -o /var/tmp/from_scwrl_1968260110.pdb > /var/tmp/scwrl_1968260110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1968260110.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: atoms too close: (T0338)P110.CA and (T0338)L120.CA only 0.000 apart, marking (T0338)L120.CA as missing # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1910223115.pdb -s /var/tmp/to_scwrl_1910223115.seq -o /var/tmp/from_scwrl_1910223115.pdb > /var/tmp/scwrl_1910223115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910223115.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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_331995846.pdb -s /var/tmp/to_scwrl_331995846.seq -o /var/tmp/from_scwrl_331995846.pdb > /var/tmp/scwrl_331995846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331995846.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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_423057881.pdb -s /var/tmp/to_scwrl_423057881.seq -o /var/tmp/from_scwrl_423057881.pdb > /var/tmp/scwrl_423057881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423057881.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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1834847162.pdb -s /var/tmp/to_scwrl_1834847162.seq -o /var/tmp/from_scwrl_1834847162.pdb > /var/tmp/scwrl_1834847162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1834847162.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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_394424684.pdb -s /var/tmp/to_scwrl_394424684.seq -o /var/tmp/from_scwrl_394424684.pdb > /var/tmp/scwrl_394424684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394424684.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 T0338 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1135240915.pdb -s /var/tmp/to_scwrl_1135240915.seq -o /var/tmp/from_scwrl_1135240915.pdb > /var/tmp/scwrl_1135240915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1135240915.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 183 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1648441607.pdb -s /var/tmp/to_scwrl_1648441607.seq -o /var/tmp/from_scwrl_1648441607.pdb > /var/tmp/scwrl_1648441607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1648441607.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 221 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_465184189.pdb -s /var/tmp/to_scwrl_465184189.seq -o /var/tmp/from_scwrl_465184189.pdb > /var/tmp/scwrl_465184189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465184189.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 208 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_39180917.pdb -s /var/tmp/to_scwrl_39180917.seq -o /var/tmp/from_scwrl_39180917.pdb > /var/tmp/scwrl_39180917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_39180917.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 222 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1738146453.pdb -s /var/tmp/to_scwrl_1738146453.seq -o /var/tmp/from_scwrl_1738146453.pdb > /var/tmp/scwrl_1738146453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1738146453.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 115 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1383096744.pdb -s /var/tmp/to_scwrl_1383096744.seq -o /var/tmp/from_scwrl_1383096744.pdb > /var/tmp/scwrl_1383096744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1383096744.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 254 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1560485228.pdb -s /var/tmp/to_scwrl_1560485228.seq -o /var/tmp/from_scwrl_1560485228.pdb > /var/tmp/scwrl_1560485228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1560485228.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2016973055.pdb -s /var/tmp/to_scwrl_2016973055.seq -o /var/tmp/from_scwrl_2016973055.pdb > /var/tmp/scwrl_2016973055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2016973055.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 T0338 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1796862091.pdb -s /var/tmp/to_scwrl_1796862091.seq -o /var/tmp/from_scwrl_1796862091.pdb > /var/tmp/scwrl_1796862091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796862091.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 T0338 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1517613819.pdb -s /var/tmp/to_scwrl_1517613819.seq -o /var/tmp/from_scwrl_1517613819.pdb > /var/tmp/scwrl_1517613819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1517613819.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 T0338 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_215240326.pdb -s /var/tmp/to_scwrl_215240326.seq -o /var/tmp/from_scwrl_215240326.pdb > /var/tmp/scwrl_215240326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215240326.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_69781558.pdb -s /var/tmp/to_scwrl_69781558.seq -o /var/tmp/from_scwrl_69781558.pdb > /var/tmp/scwrl_69781558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_69781558.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 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1688946740.pdb -s /var/tmp/to_scwrl_1688946740.seq -o /var/tmp/from_scwrl_1688946740.pdb > /var/tmp/scwrl_1688946740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1688946740.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1700380399.pdb -s /var/tmp/to_scwrl_1700380399.seq -o /var/tmp/from_scwrl_1700380399.pdb > /var/tmp/scwrl_1700380399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700380399.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1877172441.pdb -s /var/tmp/to_scwrl_1877172441.seq -o /var/tmp/from_scwrl_1877172441.pdb > /var/tmp/scwrl_1877172441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877172441.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1179859418.pdb -s /var/tmp/to_scwrl_1179859418.seq -o /var/tmp/from_scwrl_1179859418.pdb > /var/tmp/scwrl_1179859418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1179859418.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_724079242.pdb -s /var/tmp/to_scwrl_724079242.seq -o /var/tmp/from_scwrl_724079242.pdb > /var/tmp/scwrl_724079242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_724079242.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1531282863.pdb -s /var/tmp/to_scwrl_1531282863.seq -o /var/tmp/from_scwrl_1531282863.pdb > /var/tmp/scwrl_1531282863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1531282863.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 220 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1766729333.pdb -s /var/tmp/to_scwrl_1766729333.seq -o /var/tmp/from_scwrl_1766729333.pdb > /var/tmp/scwrl_1766729333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1766729333.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 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1907013682.pdb -s /var/tmp/to_scwrl_1907013682.seq -o /var/tmp/from_scwrl_1907013682.pdb > /var/tmp/scwrl_1907013682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907013682.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1669238676.pdb -s /var/tmp/to_scwrl_1669238676.seq -o /var/tmp/from_scwrl_1669238676.pdb > /var/tmp/scwrl_1669238676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669238676.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 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1143681096.pdb -s /var/tmp/to_scwrl_1143681096.seq -o /var/tmp/from_scwrl_1143681096.pdb > /var/tmp/scwrl_1143681096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1143681096.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 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_815228340.pdb -s /var/tmp/to_scwrl_815228340.seq -o /var/tmp/from_scwrl_815228340.pdb > /var/tmp/scwrl_815228340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_815228340.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0338)E204.O and (T0338)I205.N only 0.000 apart, marking (T0338)I205.N as missing # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_160036863.pdb -s /var/tmp/to_scwrl_160036863.seq -o /var/tmp/from_scwrl_160036863.pdb > /var/tmp/scwrl_160036863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_160036863.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1182872369.pdb -s /var/tmp/to_scwrl_1182872369.seq -o /var/tmp/from_scwrl_1182872369.pdb > /var/tmp/scwrl_1182872369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1182872369.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 255 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_636004803.pdb -s /var/tmp/to_scwrl_636004803.seq -o /var/tmp/from_scwrl_636004803.pdb > /var/tmp/scwrl_636004803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_636004803.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 250 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_2070259978.pdb -s /var/tmp/to_scwrl_2070259978.seq -o /var/tmp/from_scwrl_2070259978.pdb > /var/tmp/scwrl_2070259978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2070259978.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1514868216.pdb -s /var/tmp/to_scwrl_1514868216.seq -o /var/tmp/from_scwrl_1514868216.pdb > /var/tmp/scwrl_1514868216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1514868216.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1059062684.pdb -s /var/tmp/to_scwrl_1059062684.seq -o /var/tmp/from_scwrl_1059062684.pdb > /var/tmp/scwrl_1059062684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059062684.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1757623494.pdb -s /var/tmp/to_scwrl_1757623494.seq -o /var/tmp/from_scwrl_1757623494.pdb > /var/tmp/scwrl_1757623494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757623494.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1909292900.pdb -s /var/tmp/to_scwrl_1909292900.seq -o /var/tmp/from_scwrl_1909292900.pdb > /var/tmp/scwrl_1909292900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1909292900.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_46819952.pdb -s /var/tmp/to_scwrl_46819952.seq -o /var/tmp/from_scwrl_46819952.pdb > /var/tmp/scwrl_46819952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_46819952.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1258581454.pdb -s /var/tmp/to_scwrl_1258581454.seq -o /var/tmp/from_scwrl_1258581454.pdb > /var/tmp/scwrl_1258581454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258581454.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_226993442.pdb -s /var/tmp/to_scwrl_226993442.seq -o /var/tmp/from_scwrl_226993442.pdb > /var/tmp/scwrl_226993442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_226993442.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_86000869.pdb -s /var/tmp/to_scwrl_86000869.seq -o /var/tmp/from_scwrl_86000869.pdb > /var/tmp/scwrl_86000869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86000869.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_849244261.pdb -s /var/tmp/to_scwrl_849244261.seq -o /var/tmp/from_scwrl_849244261.pdb > /var/tmp/scwrl_849244261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_849244261.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1610090187.pdb -s /var/tmp/to_scwrl_1610090187.seq -o /var/tmp/from_scwrl_1610090187.pdb > /var/tmp/scwrl_1610090187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1610090187.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 T0338 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1646486097.pdb -s /var/tmp/to_scwrl_1646486097.seq -o /var/tmp/from_scwrl_1646486097.pdb > /var/tmp/scwrl_1646486097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1646486097.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 T0338 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_718733669.pdb -s /var/tmp/to_scwrl_718733669.seq -o /var/tmp/from_scwrl_718733669.pdb > /var/tmp/scwrl_718733669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_718733669.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 T0338 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1259468631.pdb -s /var/tmp/to_scwrl_1259468631.seq -o /var/tmp/from_scwrl_1259468631.pdb > /var/tmp/scwrl_1259468631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1259468631.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 T0338 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1016616270.pdb -s /var/tmp/to_scwrl_1016616270.seq -o /var/tmp/from_scwrl_1016616270.pdb > /var/tmp/scwrl_1016616270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016616270.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 T0338 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_933973995.pdb -s /var/tmp/to_scwrl_933973995.seq -o /var/tmp/from_scwrl_933973995.pdb > /var/tmp/scwrl_933973995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933973995.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 T0338 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_1329250189.pdb -s /var/tmp/to_scwrl_1329250189.seq -o /var/tmp/from_scwrl_1329250189.pdb > /var/tmp/scwrl_1329250189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329250189.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0338)Q90.N and (T0338)A91.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A91.CA only 0.000 apart, marking (T0338)A91.CA as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)A91.CB only 0.000 apart, marking (T0338)A91.CB as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)A91.O only 0.000 apart, marking (T0338)A91.O as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)A91.C only 0.000 apart, marking (T0338)A91.C as missing WARNING: atoms too close: (T0338)A91.N and (T0338)R92.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)R92.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)R92.CA only 0.000 apart, marking (T0338)R92.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)R92.CA only 0.000 apart, marking (T0338)R92.CA as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)R92.CB only 0.000 apart, marking (T0338)R92.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)R92.CB only 0.000 apart, marking (T0338)R92.CB as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)R92.CG only 0.000 apart, marking (T0338)R92.CG as missing WARNING: atoms too close: (T0338)A91.O and (T0338)R92.O only 0.000 apart, marking (T0338)R92.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)R92.O only 0.000 apart, marking (T0338)R92.O as missing WARNING: atoms too close: (T0338)A91.C and (T0338)R92.C only 0.000 apart, marking (T0338)R92.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)R92.C only 0.000 apart, marking (T0338)R92.C as missing WARNING: atoms too close: (T0338)R92.N and (T0338)K93.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)K93.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)K93.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)K93.CA only 0.000 apart, marking (T0338)K93.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)K93.CA only 0.000 apart, marking (T0338)K93.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)K93.CA only 0.000 apart, marking (T0338)K93.CA as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)K93.CB only 0.000 apart, marking (T0338)K93.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)K93.CB only 0.000 apart, marking (T0338)K93.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)K93.CB only 0.000 apart, marking (T0338)K93.CB as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)K93.CG only 0.000 apart, marking (T0338)K93.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)K93.CG only 0.000 apart, marking (T0338)K93.CG as missing WARNING: atoms too close: (T0338)R92.O and (T0338)K93.O only 0.000 apart, marking (T0338)K93.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)K93.O only 0.000 apart, marking (T0338)K93.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)K93.O only 0.000 apart, marking (T0338)K93.O as missing WARNING: atoms too close: (T0338)R92.C and (T0338)K93.C only 0.000 apart, marking (T0338)K93.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)K93.C only 0.000 apart, marking (T0338)K93.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)K93.C only 0.000 apart, marking (T0338)K93.C as missing WARNING: atoms too close: (T0338)K93.N and (T0338)L94.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)L94.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)L94.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)L94.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)L94.CA only 0.000 apart, marking (T0338)L94.CA as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)L94.CB only 0.000 apart, marking (T0338)L94.CB as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)L94.CG only 0.000 apart, marking (T0338)L94.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)L94.CG only 0.000 apart, marking (T0338)L94.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)L94.CG only 0.000 apart, marking (T0338)L94.CG as missing WARNING: atoms too close: (T0338)K93.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)L94.O only 0.000 apart, marking (T0338)L94.O as missing WARNING: atoms too close: (T0338)K93.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)L94.C only 0.000 apart, marking (T0338)L94.C as missing WARNING: atoms too close: (T0338)L94.N and (T0338)E95.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)E95.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)E95.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)E95.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)E95.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)E95.CA only 0.000 apart, marking (T0338)E95.CA as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)E95.CB only 0.000 apart, marking (T0338)E95.CB as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)E95.CG only 0.000 apart, marking (T0338)E95.CG as missing WARNING: atoms too close: (T0338)L94.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)E95.O only 0.000 apart, marking (T0338)E95.O as missing WARNING: atoms too close: (T0338)L94.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)E95.C only 0.000 apart, marking (T0338)E95.C as missing WARNING: atoms too close: (T0338)E95.N and (T0338)H96.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)H96.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)H96.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)H96.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)H96.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)H96.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)H96.CA only 0.000 apart, marking (T0338)H96.CA as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)H96.CB only 0.000 apart, marking (T0338)H96.CB as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)H96.CG only 0.000 apart, marking (T0338)H96.CG as missing WARNING: atoms too close: (T0338)E95.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)H96.O only 0.000 apart, marking (T0338)H96.O as missing WARNING: atoms too close: (T0338)E95.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)H96.C only 0.000 apart, marking (T0338)H96.C as missing WARNING: atoms too close: (T0338)H96.N and (T0338)V97.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)V97.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)V97.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)V97.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)V97.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)V97.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)V97.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)V97.CA only 0.000 apart, marking (T0338)V97.CA as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)V97.CB only 0.000 apart, marking (T0338)V97.CB as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)V97.CG1 only 0.000 apart, marking (T0338)V97.CG1 as missing WARNING: atoms too close: (T0338)H96.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)V97.O only 0.000 apart, marking (T0338)V97.O as missing WARNING: atoms too close: (T0338)H96.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)V97.C only 0.000 apart, marking (T0338)V97.C as missing WARNING: atoms too close: (T0338)V97.N and (T0338)I98.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)I98.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)I98.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)I98.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)I98.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)I98.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)I98.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)I98.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)I98.CA only 0.000 apart, marking (T0338)I98.CA as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)I98.CB only 0.000 apart, marking (T0338)I98.CB as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)I98.CG1 only 0.000 apart, marking (T0338)I98.CG1 as missing WARNING: atoms too close: (T0338)V97.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)I98.O only 0.000 apart, marking (T0338)I98.O as missing WARNING: atoms too close: (T0338)V97.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)I98.C only 0.000 apart, marking (T0338)I98.C as missing WARNING: atoms too close: (T0338)I98.N and (T0338)K99.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)K99.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)K99.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)K99.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)K99.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)K99.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)K99.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)K99.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)K99.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)K99.CA only 0.000 apart, marking (T0338)K99.CA as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)K99.CB only 0.000 apart, marking (T0338)K99.CB as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)K99.CG only 0.000 apart, marking (T0338)K99.CG as missing WARNING: atoms too close: (T0338)I98.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)K99.O only 0.000 apart, marking (T0338)K99.O as missing WARNING: atoms too close: (T0338)I98.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)K99.C only 0.000 apart, marking (T0338)K99.C as missing WARNING: atoms too close: (T0338)K99.N and (T0338)V100.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)V100.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)V100.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)V100.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)V100.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)V100.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)V100.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)V100.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)V100.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)V100.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)V100.CA only 0.000 apart, marking (T0338)V100.CA as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)V100.CB only 0.000 apart, marking (T0338)V100.CB as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)V100.CG1 only 0.000 apart, marking (T0338)V100.CG1 as missing WARNING: atoms too close: (T0338)K99.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)V100.O only 0.000 apart, marking (T0338)V100.O as missing WARNING: atoms too close: (T0338)K99.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)V100.C only 0.000 apart, marking (T0338)V100.C as missing WARNING: atoms too close: (T0338)V100.N and (T0338)A101.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)A101.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)A101.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)A101.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)A101.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)A101.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)A101.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)A101.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)A101.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)A101.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)A101.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A101.CA only 0.000 apart, marking (T0338)A101.CA as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)A101.CB only 0.000 apart, marking (T0338)A101.CB as missing WARNING: atoms too close: (T0338)V100.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)A101.O only 0.000 apart, marking (T0338)A101.O as missing WARNING: atoms too close: (T0338)V100.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)A101.C only 0.000 apart, marking (T0338)A101.C as missing WARNING: atoms too close: (T0338)A101.N and (T0338)H102.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)H102.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)H102.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)H102.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)H102.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)H102.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)H102.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)H102.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)H102.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)H102.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)H102.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)H102.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)H102.CA only 0.000 apart, marking (T0338)H102.CA as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)H102.CB only 0.000 apart, marking (T0338)H102.CB as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)H102.CG only 0.000 apart, marking (T0338)H102.CG as missing WARNING: atoms too close: (T0338)A101.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)H102.O only 0.000 apart, marking (T0338)H102.O as missing WARNING: atoms too close: (T0338)A101.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)H102.C only 0.000 apart, marking (T0338)H102.C as missing WARNING: atoms too close: (T0338)H102.N and (T0338)A103.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)A103.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)A103.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)A103.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)A103.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)A103.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)A103.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)A103.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)A103.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)A103.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)A103.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)A103.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)A103.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)A103.CA only 0.000 apart, marking (T0338)A103.CA as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)A103.CB only 0.000 apart, marking (T0338)A103.CB as missing WARNING: atoms too close: (T0338)H102.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)A103.O only 0.000 apart, marking (T0338)A103.O as missing WARNING: atoms too close: (T0338)H102.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)A103.C only 0.000 apart, marking (T0338)A103.C as missing WARNING: atoms too close: (T0338)A103.N and (T0338)C104.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)C104.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)C104.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)C104.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)C104.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)C104.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)C104.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)C104.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)C104.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)C104.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)C104.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)C104.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)C104.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)C104.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)C104.CA only 0.000 apart, marking (T0338)C104.CA as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)C104.CB only 0.000 apart, marking (T0338)C104.CB as missing WARNING: atoms too close: (T0338)A103.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)C104.O only 0.000 apart, marking (T0338)C104.O as missing WARNING: atoms too close: (T0338)A103.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)C104.C only 0.000 apart, marking (T0338)C104.C as missing WARNING: atoms too close: (T0338)C104.N and (T0338)W200.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)W200.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)W200.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)W200.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)W200.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)W200.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)W200.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)W200.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)W200.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)W200.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)W200.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)W200.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)W200.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)W200.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)W200.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)W200.CA only 0.000 apart, marking (T0338)W200.CA as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)W200.CB only 0.000 apart, marking (T0338)W200.CB as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)W200.CG only 0.000 apart, marking (T0338)W200.CG as missing WARNING: atoms too close: (T0338)C104.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)W200.O only 0.000 apart, marking (T0338)W200.O as missing WARNING: atoms too close: (T0338)C104.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)W200.C only 0.000 apart, marking (T0338)W200.C as missing WARNING: atoms too close: (T0338)W200.N and (T0338)S201.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)S201.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)S201.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)S201.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)S201.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)S201.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)S201.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)S201.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)S201.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)S201.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)S201.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)S201.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)S201.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)S201.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)S201.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)S201.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)S201.CA only 0.000 apart, marking (T0338)S201.CA as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)S201.CB only 0.000 apart, marking (T0338)S201.CB as missing WARNING: atoms too close: (T0338)W200.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)S201.O only 0.000 apart, marking (T0338)S201.O as missing WARNING: atoms too close: (T0338)W200.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)S201.C only 0.000 apart, marking (T0338)S201.C as missing WARNING: atoms too close: (T0338)S201.N and (T0338)N202.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)N202.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)N202.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)N202.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)N202.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)N202.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)N202.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)N202.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)N202.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)N202.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)N202.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)N202.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)N202.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)N202.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)N202.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)N202.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)N202.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)N202.CA only 0.000 apart, marking (T0338)N202.CA as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)N202.CB only 0.000 apart, marking (T0338)N202.CB as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)N202.CG only 0.000 apart, marking (T0338)N202.CG as missing WARNING: atoms too close: (T0338)S201.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)N202.O only 0.000 apart, marking (T0338)N202.O as missing WARNING: atoms too close: (T0338)S201.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)N202.C only 0.000 apart, marking (T0338)N202.C as missing WARNING: atoms too close: (T0338)N202.N and (T0338)W203.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)W203.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)W203.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)W203.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)W203.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)W203.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)W203.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)W203.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)W203.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)W203.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)W203.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)W203.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)W203.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)W203.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)W203.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)W203.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)W203.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)W203.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)W203.CA only 0.000 apart, marking (T0338)W203.CA as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)W203.CB only 0.000 apart, marking (T0338)W203.CB as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)W203.CG only 0.000 apart, marking (T0338)W203.CG as missing WARNING: atoms too close: (T0338)N202.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)W203.O only 0.000 apart, marking (T0338)W203.O as missing WARNING: atoms too close: (T0338)N202.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)W203.C only 0.000 apart, marking (T0338)W203.C as missing WARNING: atoms too close: (T0338)W203.N and (T0338)E204.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)E204.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)E204.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)E204.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)E204.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)E204.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)E204.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)E204.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)E204.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)E204.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)E204.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)E204.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)E204.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)E204.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)E204.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)E204.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)E204.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)E204.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)E204.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)E204.CA only 0.000 apart, marking (T0338)E204.CA as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)E204.CB only 0.000 apart, marking (T0338)E204.CB as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)E204.CG only 0.000 apart, marking (T0338)E204.CG as missing WARNING: atoms too close: (T0338)W203.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)E204.O only 0.000 apart, marking (T0338)E204.O as missing WARNING: atoms too close: (T0338)W203.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)E204.C only 0.000 apart, marking (T0338)E204.C as missing WARNING: atoms too close: (T0338)E204.N and (T0338)I205.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.N and (T0338)I205.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)I205.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)I205.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)I205.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)I205.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)I205.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)I205.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)I205.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)I205.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)I205.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)I205.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)I205.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)I205.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)I205.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)I205.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)I205.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)I205.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)I205.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)I205.N only 0.000 apart, marking (T0338)I205.N as missing WARNING: atoms too close: (T0338)E204.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)I205.CA only 0.000 apart, marking (T0338)I205.CA as missing WARNING: atoms too close: (T0338)E204.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)I205.CB only 0.000 apart, marking (T0338)I205.CB as missing WARNING: atoms too close: (T0338)E204.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)I205.CG1 only 0.000 apart, marking (T0338)I205.CG1 as missing WARNING: atoms too close: (T0338)E204.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)W203.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)I205.O only 0.000 apart, marking (T0338)I205.O as missing WARNING: atoms too close: (T0338)E204.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)W203.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)I205.C only 0.000 apart, marking (T0338)I205.C as missing WARNING: atoms too close: (T0338)I205.N and (T0338)P206.N only 0.000 apart, marking (T0338)I205.N as missing WARNING: atoms too close: (T0338)E204.N and (T0338)P206.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.N and (T0338)P206.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)P206.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)P206.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)P206.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)P206.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)P206.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)P206.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)P206.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)P206.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)P206.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)P206.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)P206.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)P206.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)P206.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)P206.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)P206.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)P206.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)P206.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)P206.N only 0.000 apart, marking (T0338)P206.N as missing WARNING: atoms too close: (T0338)I205.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)E204.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)P206.CA only 0.000 apart, marking (T0338)P206.CA as missing WARNING: atoms too close: (T0338)I205.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)E204.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)P206.CB only 0.000 apart, marking (T0338)P206.CB as missing WARNING: atoms too close: (T0338)I205.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)E204.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)P206.CG only 0.000 apart, marking (T0338)P206.CG as missing WARNING: atoms too close: (T0338)I205.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)E204.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)W203.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)P206.O only 0.000 apart, marking (T0338)P206.O as missing WARNING: atoms too close: (T0338)I205.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)E204.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)W203.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)P206.C only 0.000 apart, marking (T0338)P206.C as missing WARNING: atoms too close: (T0338)P206.N and (T0338)V207.N only 0.000 apart, marking (T0338)P206.N as missing WARNING: atoms too close: (T0338)I205.N and (T0338)V207.N only 0.000 apart, marking (T0338)I205.N as missing WARNING: atoms too close: (T0338)E204.N and (T0338)V207.N only 0.000 apart, marking (T0338)E204.N as missing WARNING: atoms too close: (T0338)W203.N and (T0338)V207.N only 0.000 apart, marking (T0338)W203.N as missing WARNING: atoms too close: (T0338)N202.N and (T0338)V207.N only 0.000 apart, marking (T0338)N202.N as missing WARNING: atoms too close: (T0338)S201.N and (T0338)V207.N only 0.000 apart, marking (T0338)S201.N as missing WARNING: atoms too close: (T0338)W200.N and (T0338)V207.N only 0.000 apart, marking (T0338)W200.N as missing WARNING: atoms too close: (T0338)C104.N and (T0338)V207.N only 0.000 apart, marking (T0338)C104.N as missing WARNING: atoms too close: (T0338)A103.N and (T0338)V207.N only 0.000 apart, marking (T0338)A103.N as missing WARNING: atoms too close: (T0338)H102.N and (T0338)V207.N only 0.000 apart, marking (T0338)H102.N as missing WARNING: atoms too close: (T0338)A101.N and (T0338)V207.N only 0.000 apart, marking (T0338)A101.N as missing WARNING: atoms too close: (T0338)V100.N and (T0338)V207.N only 0.000 apart, marking (T0338)V100.N as missing WARNING: atoms too close: (T0338)K99.N and (T0338)V207.N only 0.000 apart, marking (T0338)K99.N as missing WARNING: atoms too close: (T0338)I98.N and (T0338)V207.N only 0.000 apart, marking (T0338)I98.N as missing WARNING: atoms too close: (T0338)V97.N and (T0338)V207.N only 0.000 apart, marking (T0338)V97.N as missing WARNING: atoms too close: (T0338)H96.N and (T0338)V207.N only 0.000 apart, marking (T0338)H96.N as missing WARNING: atoms too close: (T0338)E95.N and (T0338)V207.N only 0.000 apart, marking (T0338)E95.N as missing WARNING: atoms too close: (T0338)L94.N and (T0338)V207.N only 0.000 apart, marking (T0338)L94.N as missing WARNING: atoms too close: (T0338)K93.N and (T0338)V207.N only 0.000 apart, marking (T0338)K93.N as missing WARNING: atoms too close: (T0338)R92.N and (T0338)V207.N only 0.000 apart, marking (T0338)R92.N as missing WARNING: atoms too close: (T0338)A91.N and (T0338)V207.N only 0.000 apart, marking (T0338)A91.N as missing WARNING: atoms too close: (T0338)Q90.N and (T0338)V207.N only 0.000 apart, marking (T0338)V207.N as missing WARNING: atoms too close: (T0338)P206.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)I205.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)E204.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)W203.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)N202.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)S201.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)W200.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)C104.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)A103.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)H102.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)A101.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)V100.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)K99.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)I98.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)V97.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)H96.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)E95.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)L94.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)K93.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)R92.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)A91.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)Q90.CA and (T0338)V207.CA only 0.000 apart, marking (T0338)V207.CA as missing WARNING: atoms too close: (T0338)P206.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)I205.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)E204.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)W203.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)N202.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)S201.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)W200.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)C104.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)A103.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)H102.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)A101.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)V100.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)K99.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)I98.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)V97.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)H96.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)E95.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)L94.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)K93.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)R92.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)A91.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)Q90.CB and (T0338)V207.CB only 0.000 apart, marking (T0338)V207.CB as missing WARNING: atoms too close: (T0338)P206.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)I205.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)E204.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)W203.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)N202.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)W200.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)H102.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)V100.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)K99.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)I98.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)V97.CG1 and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)H96.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)E95.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)L94.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)K93.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)R92.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)Q90.CG and (T0338)V207.CG1 only 0.000 apart, marking (T0338)V207.CG1 as missing WARNING: atoms too close: (T0338)P206.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)I205.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)E204.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)W203.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)N202.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)S201.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)W200.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)C104.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)A103.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)H102.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)A101.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)V100.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)K99.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)I98.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)V97.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)H96.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)E95.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)L94.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)K93.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)R92.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)A91.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)Q90.O and (T0338)V207.O only 0.000 apart, marking (T0338)V207.O as missing WARNING: atoms too close: (T0338)P206.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)I205.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)E204.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)W203.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)N202.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)S201.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)W200.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)C104.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)A103.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)H102.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)A101.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)V100.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)K99.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)I98.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)V97.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)H96.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)E95.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)L94.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)K93.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)R92.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)A91.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing WARNING: atoms too close: (T0338)Q90.C and (T0338)V207.C only 0.000 apart, marking (T0338)V207.C as missing # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_558079363.pdb -s /var/tmp/to_scwrl_558079363.seq -o /var/tmp/from_scwrl_558079363.pdb > /var/tmp/scwrl_558079363.log Error: Couldn't open file /var/tmp/from_scwrl_558079363.pdb or /var/tmp/from_scwrl_558079363.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_558079363_b.pdb or decoys//var/tmp/from_scwrl_558079363_b.pdb.gz for input Trying /var/tmp/from_scwrl_558079363_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_558079363_b.pdb or /var/tmp/from_scwrl_558079363_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_558079363_a.pdb or decoys//var/tmp/from_scwrl_558079363_a.pdb.gz for input Trying /var/tmp/from_scwrl_558079363_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_558079363_a.pdb or /var/tmp/from_scwrl_558079363_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_558079363.pdb or /var/tmp/from_scwrl_558079363_b.pdb or /var/tmp/from_scwrl_558079363_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0338 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 231 ; scwrl3 -i /var/tmp/to_scwrl_486870747.pdb -s /var/tmp/to_scwrl_486870747.seq -o /var/tmp/from_scwrl_486870747.pdb > /var/tmp/scwrl_486870747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_486870747.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 73.238 sec, elapsed time= 1075.886 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 58.957 real_cost = 17.138 shub_TS1 costs 58.958 real_cost = 22.584 panther2_TS1-scwrl costs 69.688 real_cost = 97.058 nFOLD_TS5-scwrl costs 58.318 real_cost = 107.274 nFOLD_TS5 costs 58.408 real_cost = 235.532 nFOLD_TS4-scwrl costs 62.685 real_cost = 119.101 nFOLD_TS4 costs 62.741 real_cost = 237.324 nFOLD_TS3-scwrl costs 60.877 real_cost = 54.593 nFOLD_TS3 costs 60.850 real_cost = 175.186 nFOLD_TS2-scwrl costs 53.544 real_cost = 48.763 nFOLD_TS2 costs 53.587 real_cost = 183.954 nFOLD_TS1-scwrl costs 53.208 real_cost = 37.681 nFOLD_TS1 costs 53.219 real_cost = 181.068 mGen-3D_TS1-scwrl costs 52.135 real_cost = 34.537 mGen-3D_TS1 costs 52.139 real_cost = 178.168 keasar-server_TS5-scwrl costs 58.028 real_cost = 23.420 keasar-server_TS5 costs 58.028 real_cost = 34.107 keasar-server_TS4-scwrl costs 64.613 real_cost = 88.017 keasar-server_TS4 costs 64.613 real_cost = 104.697 keasar-server_TS3-scwrl costs 59.299 real_cost = 20.484 keasar-server_TS3 costs 59.299 real_cost = 27.837 keasar-server_TS2-scwrl costs 57.855 real_cost = -3.521 keasar-server_TS2 costs 57.855 real_cost = 13.401 keasar-server_TS1-scwrl costs 62.365 real_cost = -9.112 keasar-server_TS1 costs 62.365 real_cost = -1.531 karypis.srv_TS5-scwrl costs 64.886 real_cost = 186.934 karypis.srv_TS5 costs 64.904 real_cost = 180.549 karypis.srv_TS4-scwrl costs 56.713 real_cost = 182.181 karypis.srv_TS4 costs 56.717 real_cost = 180.522 karypis.srv_TS3-scwrl costs 53.342 real_cost = 69.635 karypis.srv_TS3 costs 53.351 real_cost = 63.829 karypis.srv_TS2-scwrl costs 50.578 real_cost = 167.462 karypis.srv_TS2 costs 50.570 real_cost = 162.661 karypis.srv_TS1-scwrl costs 59.018 real_cost = 44.670 karypis.srv_TS1 costs 59.013 real_cost = 34.297 karypis.srv.4_TS5-scwrl costs 120.050 real_cost = 294.624 karypis.srv.4_TS5 costs 120.050 real_cost = 294.624 karypis.srv.4_TS4-scwrl costs 131.490 real_cost = 302.485 karypis.srv.4_TS4 costs 131.490 real_cost = 302.483 karypis.srv.4_TS3-scwrl costs 160.973 real_cost = 337.451 karypis.srv.4_TS3 costs 160.973 real_cost = 339.598 karypis.srv.4_TS1-scwrl costs 159.270 real_cost = 333.269 karypis.srv.4_TS1 costs 159.270 real_cost = 332.244 karypis.srv.2_TS5-scwrl costs 89.361 real_cost = 205.419 karypis.srv.2_TS5 costs 89.361 real_cost = 205.419 karypis.srv.2_TS4-scwrl costs 92.247 real_cost = 185.510 karypis.srv.2_TS4 costs 92.247 real_cost = 185.512 karypis.srv.2_TS3-scwrl costs 95.919 real_cost = 211.942 karypis.srv.2_TS3 costs 95.919 real_cost = 211.942 karypis.srv.2_TS2-scwrl costs 93.838 real_cost = 207.235 karypis.srv.2_TS2 costs 93.838 real_cost = 207.235 karypis.srv.2_TS1-scwrl costs 93.550 real_cost = 194.066 karypis.srv.2_TS1 costs 93.550 real_cost = 194.066 gtg_AL5-scwrl costs 58.943 real_cost = 56.075 gtg_AL5 costs 58.906 real_cost = 231.810 gtg_AL4-scwrl costs 57.197 real_cost = 106.672 gtg_AL4 costs 57.244 real_cost = 279.628 gtg_AL3-scwrl costs 57.010 real_cost = 113.935 gtg_AL3 costs 57.066 real_cost = 267.693 gtg_AL2-scwrl costs 53.058 real_cost = 44.878 gtg_AL2 costs 53.149 real_cost = 221.801 gtg_AL1-scwrl costs 59.847 real_cost = 64.229 gtg_AL1 costs 59.962 real_cost = 234.571 forecast-s_AL5-scwrl costs 90.024 real_cost = 351.272 forecast-s_AL5 costs 90.033 real_cost = 440.356 forecast-s_AL4-scwrl costs 90.625 real_cost = 344.908 forecast-s_AL4 costs 90.622 real_cost = 432.706 forecast-s_AL3-scwrl costs 85.713 real_cost = 336.020 forecast-s_AL3 costs 85.697 real_cost = 430.743 forecast-s_AL2-scwrl costs 90.112 real_cost = 349.444 forecast-s_AL2 costs 90.111 real_cost = 435.873 forecast-s_AL1-scwrl costs 90.285 real_cost = 281.446 forecast-s_AL1 costs 90.254 real_cost = 367.821 beautshotbase_TS1-scwrl costs 59.551 real_cost = -3.892 beautshotbase_TS1 costs 59.542 real_cost = -4.954 beautshot_TS1-scwrl costs 79.743 real_cost = 28.799 beautshot_TS1 costs 79.743 real_cost = 27.945 Zhang-Server_TS5-scwrl costs 40.889 real_cost = -83.126 Zhang-Server_TS5 costs 40.889 real_cost = -83.126 Zhang-Server_TS4-scwrl costs 48.520 real_cost = -76.188 Zhang-Server_TS4 costs 48.520 real_cost = -76.241 Zhang-Server_TS3-scwrl costs 42.574 real_cost = -61.424 Zhang-Server_TS3 costs 42.574 real_cost = -61.661 Zhang-Server_TS2-scwrl costs 40.278 real_cost = -92.467 Zhang-Server_TS2 costs 40.278 real_cost = -92.467 Zhang-Server_TS1-scwrl costs 37.441 real_cost = -95.496 Zhang-Server_TS1 costs 37.441 real_cost = -95.760 UNI-EID_sfst_AL5-scwrl costs 54.247 real_cost = 41.637 UNI-EID_sfst_AL5 costs 54.274 real_cost = 205.314 UNI-EID_sfst_AL4-scwrl costs 50.759 real_cost = 40.287 UNI-EID_sfst_AL4 costs 50.786 real_cost = 207.705 UNI-EID_sfst_AL3-scwrl costs 60.540 real_cost = 101.349 UNI-EID_sfst_AL3 costs 60.633 real_cost = 246.511 UNI-EID_sfst_AL2-scwrl costs 61.524 real_cost = 46.636 UNI-EID_sfst_AL2 costs 61.539 real_cost = 205.308 UNI-EID_sfst_AL1-scwrl costs 53.925 real_cost = 1.498 UNI-EID_sfst_AL1 costs 53.880 real_cost = 169.376 UNI-EID_expm_TS1-scwrl costs 81.358 real_cost = -5.046 UNI-EID_expm_TS1 costs 81.358 real_cost = 143.660 UNI-EID_bnmx_TS5-scwrl costs 58.366 real_cost = 55.961 UNI-EID_bnmx_TS5 costs 58.350 real_cost = 223.565 UNI-EID_bnmx_TS4-scwrl costs 47.984 real_cost = 27.681 UNI-EID_bnmx_TS4 costs 48.023 real_cost = 208.408 UNI-EID_bnmx_TS3-scwrl costs 55.701 real_cost = 95.328 UNI-EID_bnmx_TS3 costs 55.777 real_cost = 247.796 UNI-EID_bnmx_TS2-scwrl costs 60.879 real_cost = 32.534 UNI-EID_bnmx_TS2 costs 60.849 real_cost = 200.059 UNI-EID_bnmx_TS1-scwrl costs 52.307 real_cost = 8.106 UNI-EID_bnmx_TS1 costs 52.224 real_cost = 183.343 SPARKS2_TS5-scwrl costs 57.645 real_cost = 44.212 SPARKS2_TS5 costs 57.645 real_cost = 47.143 SPARKS2_TS4-scwrl costs 56.749 real_cost = 70.066 SPARKS2_TS4 costs 56.749 real_cost = 80.878 SPARKS2_TS3-scwrl costs 48.110 real_cost = 11.262 SPARKS2_TS3 costs 48.110 real_cost = 17.265 SPARKS2_TS2-scwrl costs 52.946 real_cost = -27.258 SPARKS2_TS2 costs 52.946 real_cost = -22.187 SPARKS2_TS1-scwrl costs 43.328 real_cost = -30.733 SPARKS2_TS1 costs 43.328 real_cost = -24.140 SP4_TS5-scwrl costs 51.532 real_cost = 17.526 SP4_TS5 costs 51.532 real_cost = 26.770 SP4_TS4-scwrl costs 56.070 real_cost = 69.268 SP4_TS4 costs 56.070 real_cost = 78.676 SP4_TS3-scwrl costs 55.710 real_cost = 58.131 SP4_TS3 costs 55.710 real_cost = 66.996 SP4_TS2-scwrl costs 53.410 real_cost = -20.814 SP4_TS2 costs 53.410 real_cost = -17.328 SP4_TS1-scwrl costs 46.944 real_cost = -39.319 SP3_TS5-scwrl costs 53.787 real_cost = 74.924 SP3_TS5 costs 53.787 real_cost = 84.489 SP3_TS4-scwrl costs 51.316 real_cost = 14.384 SP3_TS4 costs 51.316 real_cost = 26.537 SP3_TS3-scwrl costs 61.476 real_cost = 74.300 SP3_TS3 costs 61.476 real_cost = 81.555 SP3_TS2-scwrl costs 50.701 real_cost = -15.000 SP3_TS2 costs 50.701 real_cost = -12.158 SP3_TS1-scwrl costs 46.414 real_cost = -53.361 SP3_TS1 costs 46.414 real_cost = -45.681 SAM_T06_server_TS5-scwrl costs 72.720 real_cost = 230.778 SAM_T06_server_TS5 costs 72.629 real_cost = 171.186 SAM_T06_server_TS4-scwrl costs 58.124 real_cost = 33.698 SAM_T06_server_TS4 costs 58.106 real_cost = 12.891 SAM_T06_server_TS3-scwrl costs 50.810 real_cost = 71.751 SAM_T06_server_TS3 costs 50.836 real_cost = 50.635 SAM_T06_server_TS2-scwrl costs 55.206 real_cost = 98.736 SAM_T06_server_TS2 costs 55.189 real_cost = 71.023 SAM_T06_server_TS1-scwrl costs 59.385 real_cost = 5.006 SAM_T06_server_TS1 costs 59.385 real_cost = 10.308 SAM-T99_AL5-scwrl costs 48.766 real_cost = 54.251 SAM-T99_AL5 costs 48.701 real_cost = 231.220 SAM-T99_AL4-scwrl costs 51.189 real_cost = 51.518 SAM-T99_AL4 costs 51.122 real_cost = 223.320 SAM-T99_AL3-scwrl costs 49.127 real_cost = 41.549 SAM-T99_AL3 costs 49.061 real_cost = 219.521 SAM-T99_AL2-scwrl costs 48.173 real_cost = 51.955 SAM-T99_AL2 costs 48.139 real_cost = 226.232 SAM-T99_AL1-scwrl costs 49.753 real_cost = 44.708 SAM-T99_AL1 costs 49.719 real_cost = 221.040 SAM-T02_AL5-scwrl costs 46.809 real_cost = 27.712 SAM-T02_AL5 costs 46.786 real_cost = 208.719 SAM-T02_AL4-scwrl costs 48.782 real_cost = 32.264 SAM-T02_AL4 costs 48.759 real_cost = 210.870 SAM-T02_AL3-scwrl costs 57.150 real_cost = 23.755 SAM-T02_AL3 costs 57.145 real_cost = 178.827 SAM-T02_AL2-scwrl costs 48.158 real_cost = 35.708 SAM-T02_AL2 costs 48.140 real_cost = 217.901 SAM-T02_AL1-scwrl costs 48.990 real_cost = 31.712 SAM-T02_AL1 costs 48.974 real_cost = 209.101 ROKKY_TS5-scwrl costs 55.636 real_cost = 23.120 ROKKY_TS5 costs 55.636 real_cost = 29.964 ROKKY_TS4-scwrl costs 55.582 real_cost = 21.370 ROKKY_TS4 costs 55.582 real_cost = 34.207 ROKKY_TS3-scwrl costs 55.136 real_cost = 24.239 ROKKY_TS3 costs 55.136 real_cost = 27.046 ROKKY_TS2-scwrl costs 54.067 real_cost = 28.384 ROKKY_TS2 costs 54.067 real_cost = 35.286 ROKKY_TS1-scwrl costs 53.820 real_cost = 31.108 ROKKY_TS1 costs 53.820 real_cost = 38.531 ROBETTA_TS5-scwrl costs 43.794 real_cost = -16.364 ROBETTA_TS5 costs 43.794 real_cost = -14.380 ROBETTA_TS4-scwrl costs 43.469 real_cost = -2.764 ROBETTA_TS4 costs 43.469 real_cost = 0.585 ROBETTA_TS3-scwrl costs 39.973 real_cost = -31.078 ROBETTA_TS3 costs 39.973 real_cost = -23.197 ROBETTA_TS2-scwrl costs 44.352 real_cost = -15.768 ROBETTA_TS2 costs 44.352 real_cost = -12.233 ROBETTA_TS1-scwrl costs 41.251 real_cost = -27.445 ROBETTA_TS1 costs 41.251 real_cost = -28.887 RAPTOR_TS5-scwrl costs 53.870 real_cost = 104.822 RAPTOR_TS5 costs 53.870 real_cost = 110.059 RAPTOR_TS4-scwrl costs 55.098 real_cost = 31.158 RAPTOR_TS4 costs 55.098 real_cost = 36.815 RAPTOR_TS3-scwrl costs 51.612 real_cost = 36.569 RAPTOR_TS3 costs 51.612 real_cost = 39.787 RAPTOR_TS2-scwrl costs 58.390 real_cost = -10.739 RAPTOR_TS2 costs 58.390 real_cost = -2.877 RAPTOR_TS1-scwrl costs 53.391 real_cost = -41.223 RAPTOR_TS1 costs 53.391 real_cost = -32.923 RAPTORESS_TS5-scwrl costs 59.215 real_cost = 116.588 RAPTORESS_TS5 costs 59.215 real_cost = 127.312 RAPTORESS_TS4-scwrl costs 62.524 real_cost = 42.564 RAPTORESS_TS4 costs 62.524 real_cost = 47.556 RAPTORESS_TS3-scwrl costs 60.534 real_cost = 49.465 RAPTORESS_TS3 costs 60.534 real_cost = 54.597 RAPTORESS_TS2-scwrl costs 62.892 real_cost = -3.552 RAPTORESS_TS2 costs 62.892 real_cost = 2.831 RAPTORESS_TS1-scwrl costs 58.247 real_cost = -23.542 RAPTORESS_TS1 costs 58.247 real_cost = -16.604 RAPTOR-ACE_TS5-scwrl costs 45.570 real_cost = -15.450 RAPTOR-ACE_TS5 costs 45.570 real_cost = -10.498 RAPTOR-ACE_TS4-scwrl costs 45.933 real_cost = -16.697 RAPTOR-ACE_TS4 costs 45.933 real_cost = -9.401 RAPTOR-ACE_TS3-scwrl costs 49.231 real_cost = -9.365 RAPTOR-ACE_TS3 costs 49.231 real_cost = 3.624 RAPTOR-ACE_TS2-scwrl costs 46.126 real_cost = -12.261 RAPTOR-ACE_TS2 costs 46.126 real_cost = -0.522 RAPTOR-ACE_TS1-scwrl costs 48.793 real_cost = -26.363 RAPTOR-ACE_TS1 costs 48.793 real_cost = -15.964 Pmodeller6_TS5-scwrl costs 43.416 real_cost = 8.827 Pmodeller6_TS5 costs 43.410 real_cost = 14.326 Pmodeller6_TS4-scwrl costs 41.251 real_cost = -27.445 Pmodeller6_TS4 costs 41.251 real_cost = -28.887 Pmodeller6_TS3-scwrl costs 39.973 real_cost = -31.078 Pmodeller6_TS3 costs 39.973 real_cost = -23.197 Pmodeller6_TS2-scwrl costs 48.513 real_cost = 12.468 Pmodeller6_TS2 costs 48.499 real_cost = 9.856 Pmodeller6_TS1-scwrl costs 43.794 real_cost = -16.364 Pmodeller6_TS1 costs 43.794 real_cost = -14.380 Phyre-2_TS5-scwrl costs 67.708 real_cost = 73.411 Phyre-2_TS5 costs 67.708 real_cost = 75.323 Phyre-2_TS4-scwrl costs 69.550 real_cost = 80.059 Phyre-2_TS4 costs 69.550 real_cost = 81.669 Phyre-2_TS3-scwrl costs 72.200 real_cost = 83.227 Phyre-2_TS3 costs 72.250 real_cost = 79.017 Phyre-2_TS2-scwrl costs 72.351 real_cost = 85.073 Phyre-2_TS2 costs 72.401 real_cost = 80.414 Phyre-2_TS1-scwrl costs 72.200 real_cost = 83.227 Phyre-2_TS1 costs 72.250 real_cost = 79.017 Phyre-1_TS1-scwrl costs 58.013 real_cost = 25.302 Phyre-1_TS1 costs 58.037 real_cost = 20.287 Pcons6_TS5-scwrl costs 56.666 real_cost = -31.895 Pcons6_TS5 costs 56.670 real_cost = -35.682 Pcons6_TS4-scwrl costs 53.045 real_cost = -18.108 Pcons6_TS4 costs 53.044 real_cost = -18.632 Pcons6_TS3-scwrl costs 40.036 real_cost = -26.069 Pcons6_TS3 costs 40.036 real_cost = -26.629 Pcons6_TS2-scwrl costs 47.166 real_cost = -20.956 Pcons6_TS2 costs 47.165 real_cost = -20.605 Pcons6_TS1-scwrl costs 38.273 real_cost = -57.690 Pcons6_TS1 costs 38.272 real_cost = -56.932 PROTINFO_TS5-scwrl costs 52.743 real_cost = -30.736 PROTINFO_TS5 costs 52.743 real_cost = -31.488 PROTINFO_TS4-scwrl costs 62.888 real_cost = -7.056 PROTINFO_TS4 costs 62.888 real_cost = -8.290 PROTINFO_TS3-scwrl costs 49.147 real_cost = -16.295 PROTINFO_TS3 costs 49.147 real_cost = -14.071 PROTINFO_TS2-scwrl costs 55.024 real_cost = -22.290 PROTINFO_TS2 costs 55.024 real_cost = -19.195 PROTINFO_TS1-scwrl costs 58.796 real_cost = -12.476 PROTINFO_TS1 costs 58.796 real_cost = -13.954 PROTINFO-AB_TS5-scwrl costs 51.508 real_cost = -35.641 PROTINFO-AB_TS5 costs 51.508 real_cost = -36.065 PROTINFO-AB_TS4-scwrl costs 51.670 real_cost = -27.814 PROTINFO-AB_TS4 costs 51.670 real_cost = -28.492 PROTINFO-AB_TS3-scwrl costs 56.354 real_cost = -10.358 PROTINFO-AB_TS3 costs 56.354 real_cost = -9.032 PROTINFO-AB_TS2-scwrl costs 48.433 real_cost = -4.950 PROTINFO-AB_TS2 costs 48.433 real_cost = -5.905 PROTINFO-AB_TS1-scwrl costs 49.001 real_cost = -5.239 PROTINFO-AB_TS1 costs 49.001 real_cost = -5.234 POMYSL_TS5-scwrl costs 131.640 real_cost = 607.826 POMYSL_TS5 costs 131.634 real_cost = 610.491 POMYSL_TS4-scwrl costs 126.456 real_cost = 566.749 POMYSL_TS4 costs 126.470 real_cost = 572.053 POMYSL_TS3-scwrl costs 129.412 real_cost = 553.613 POMYSL_TS3 costs 129.441 real_cost = 575.160 POMYSL_TS2-scwrl costs 131.450 real_cost = 554.884 POMYSL_TS2 costs 131.435 real_cost = 586.545 POMYSL_TS1-scwrl costs 132.703 real_cost = 554.355 POMYSL_TS1 costs 132.696 real_cost = 565.240 NN_PUT_lab_TS1-scwrl costs 55.129 real_cost = -1.683 NN_PUT_lab_TS1 costs 55.124 real_cost = 2.857 MetaTasser_TS5-scwrl costs 84.607 real_cost = 22.680 MetaTasser_TS5 costs 84.607 real_cost = 18.349 MetaTasser_TS4-scwrl costs 61.262 real_cost = -25.481 MetaTasser_TS4 costs 61.262 real_cost = -17.280 MetaTasser_TS3-scwrl costs 75.594 real_cost = -9.636 MetaTasser_TS3 costs 75.594 real_cost = -7.820 MetaTasser_TS2-scwrl costs 54.616 real_cost = -22.725 MetaTasser_TS2 costs 54.616 real_cost = -23.310 MetaTasser_TS1-scwrl costs 60.277 real_cost = -8.417 MetaTasser_TS1 costs 60.277 real_cost = -10.022 Ma-OPUS-server_TS5-scwrl costs 58.480 real_cost = 207.524 Ma-OPUS-server_TS5 costs 58.480 real_cost = 215.617 Ma-OPUS-server_TS4-scwrl costs 50.511 real_cost = -0.551 Ma-OPUS-server_TS4 costs 50.511 real_cost = 4.845 Ma-OPUS-server_TS3-scwrl costs 57.250 real_cost = -8.075 Ma-OPUS-server_TS3 costs 57.250 real_cost = 2.345 Ma-OPUS-server_TS2-scwrl costs 61.047 real_cost = -16.546 Ma-OPUS-server_TS2 costs 61.047 real_cost = -16.243 Ma-OPUS-server_TS1-scwrl costs 60.645 real_cost = -15.464 Ma-OPUS-server_TS1 costs 60.645 real_cost = -2.942 Ma-OPUS-server2_TS5-scwrl costs 57.181 real_cost = 200.032 Ma-OPUS-server2_TS5 costs 57.181 real_cost = 204.843 Ma-OPUS-server2_TS4-scwrl costs 53.256 real_cost = -2.226 Ma-OPUS-server2_TS4 costs 53.256 real_cost = 6.018 Ma-OPUS-server2_TS3-scwrl costs 57.250 real_cost = -8.075 Ma-OPUS-server2_TS3 costs 57.250 real_cost = 2.345 Ma-OPUS-server2_TS2-scwrl costs 48.801 real_cost = 8.440 Ma-OPUS-server2_TS2 costs 48.801 real_cost = 13.521 Ma-OPUS-server2_TS1-scwrl costs 62.627 real_cost = -9.614 Ma-OPUS-server2_TS1 costs 62.627 real_cost = -7.855 MIG_FROST_AL1-scwrl costs 84.771 real_cost = 218.216 MIG_FROST_AL1 costs 84.747 real_cost = 378.988 LOOPP_TS5-scwrl costs 52.915 real_cost = 65.317 LOOPP_TS5 costs 52.911 real_cost = 62.458 LOOPP_TS4-scwrl costs 51.670 real_cost = 24.990 LOOPP_TS4 costs 51.660 real_cost = 28.243 LOOPP_TS3-scwrl costs 59.727 real_cost = -2.785 LOOPP_TS3 costs 59.725 real_cost = -6.922 LOOPP_TS2-scwrl costs 53.082 real_cost = -7.988 LOOPP_TS2 costs 53.070 real_cost = -10.364 LOOPP_TS1-scwrl costs 55.129 real_cost = -1.683 LOOPP_TS1 costs 55.124 real_cost = 2.857 Huber-Torda-Server_TS5-scwrl costs 131.557 real_cost = 417.016 Huber-Torda-Server_TS5 costs 131.552 real_cost = 518.455 Huber-Torda-Server_TS4-scwrl costs 93.417 real_cost = 296.779 Huber-Torda-Server_TS4 costs 93.349 real_cost = 359.754 Huber-Torda-Server_TS3-scwrl costs 120.165 real_cost = 446.773 Huber-Torda-Server_TS3 costs 120.092 real_cost = 493.958 Huber-Torda-Server_TS2-scwrl costs 72.624 real_cost = 119.784 Huber-Torda-Server_TS2 costs 72.624 real_cost = 206.369 Huber-Torda-Server_TS1-scwrl costs 120.628 real_cost = 417.393 Huber-Torda-Server_TS1 costs 120.628 real_cost = 508.226 HHpred3_TS1-scwrl costs 54.021 real_cost = -31.838 HHpred3_TS1 costs 54.021 real_cost = -20.978 HHpred2_TS1-scwrl costs 62.635 real_cost = -30.698 HHpred2_TS1 costs 62.635 real_cost = -23.669 HHpred1_TS1-scwrl costs 47.772 real_cost = -34.270 HHpred1_TS1 costs 47.772 real_cost = -27.209 GeneSilicoMetaServer_TS5-scwrl costs 61.994 real_cost = 53.543 GeneSilicoMetaServer_TS5 costs 61.994 real_cost = 59.827 GeneSilicoMetaServer_TS4-scwrl costs 56.392 real_cost = 51.750 GeneSilicoMetaServer_TS4 costs 56.397 real_cost = 53.617 GeneSilicoMetaServer_TS3-scwrl costs 55.184 real_cost = 71.753 GeneSilicoMetaServer_TS3 costs 55.187 real_cost = 76.628 GeneSilicoMetaServer_TS2-scwrl costs 49.245 real_cost = 12.696 GeneSilicoMetaServer_TS2 costs 49.245 real_cost = 16.551 GeneSilicoMetaServer_TS1-scwrl costs 46.766 real_cost = 6.049 GeneSilicoMetaServer_TS1 costs 46.766 real_cost = 18.744 Frankenstein_TS2-scwrl costs 75.778 real_cost = 192.031 Frankenstein_TS2 costs 75.778 real_cost = 194.334 Frankenstein_TS1-scwrl costs 65.186 real_cost = 76.011 Frankenstein_TS1 costs 65.186 real_cost = 83.404 FUNCTION_TS5-scwrl costs 62.130 real_cost = 33.917 FUNCTION_TS5 costs 62.130 real_cost = 31.409 FUNCTION_TS4-scwrl costs 62.647 real_cost = 37.216 FUNCTION_TS4 costs 62.647 real_cost = 47.561 FUNCTION_TS3-scwrl costs 56.910 real_cost = 50.841 FUNCTION_TS3 costs 56.910 real_cost = 53.613 FUNCTION_TS2-scwrl costs 70.046 real_cost = 32.156 FUNCTION_TS2 costs 70.046 real_cost = 36.496 FUNCTION_TS1-scwrl costs 62.813 real_cost = 39.789 FUNCTION_TS1 costs 62.813 real_cost = 49.243 FUGUE_AL5-scwrl costs 115.852 real_cost = 306.137 FUGUE_AL5 costs 115.852 real_cost = 510.041 FUGUE_AL4-scwrl costs 59.948 real_cost = 113.154 FUGUE_AL4 costs 59.898 real_cost = 289.664 FUGUE_AL3-scwrl costs 54.769 real_cost = 109.592 FUGUE_AL3 costs 54.777 real_cost = 290.661 FUGUE_AL2-scwrl costs 57.211 real_cost = 227.522 FUGUE_AL2 costs 57.240 real_cost = 377.629 FUGUE_AL1-scwrl costs 54.686 real_cost = 76.136 FUGUE_AL1 costs 54.660 real_cost = 214.350 FUGMOD_TS5-scwrl costs 112.975 real_cost = 304.216 FUGMOD_TS5 costs 112.975 real_cost = 301.974 FUGMOD_TS4-scwrl costs 57.081 real_cost = 58.207 FUGMOD_TS4 costs 57.081 real_cost = 69.760 FUGMOD_TS3-scwrl costs 51.580 real_cost = 80.477 FUGMOD_TS3 costs 51.576 real_cost = 82.985 FUGMOD_TS2-scwrl costs 50.016 real_cost = 156.412 FUGMOD_TS2 costs 50.011 real_cost = 164.891 FUGMOD_TS1-scwrl costs 59.405 real_cost = -7.125 FUGMOD_TS1 costs 59.405 real_cost = 1.464 FPSOLVER-SERVER_TS5-scwrl costs 147.345 real_cost = 329.729 FPSOLVER-SERVER_TS5 costs 147.345 real_cost = 334.807 FPSOLVER-SERVER_TS4-scwrl costs 142.513 real_cost = 321.360 FPSOLVER-SERVER_TS4 costs 142.513 real_cost = 328.559 FPSOLVER-SERVER_TS3-scwrl costs 142.509 real_cost = 329.369 FPSOLVER-SERVER_TS3 costs 142.509 real_cost = 333.281 FPSOLVER-SERVER_TS2-scwrl costs 147.905 real_cost = 303.099 FPSOLVER-SERVER_TS2 costs 147.905 real_cost = 304.011 FPSOLVER-SERVER_TS1-scwrl costs 157.736 real_cost = 320.820 FPSOLVER-SERVER_TS1 costs 157.736 real_cost = 323.898 FORTE2_AL5-scwrl costs 64.218 real_cost = 119.119 FORTE2_AL5 costs 64.212 real_cost = 289.581 FORTE2_AL4-scwrl costs 60.635 real_cost = 96.477 FORTE2_AL4 costs 60.626 real_cost = 264.420 FORTE2_AL3-scwrl costs 64.075 real_cost = 64.088 FORTE2_AL3 costs 64.081 real_cost = 220.326 FORTE2_AL2-scwrl costs 55.935 real_cost = 110.576 FORTE2_AL2 costs 55.975 real_cost = 290.033 FORTE2_AL1-scwrl costs 53.674 real_cost = 44.070 FORTE2_AL1 costs 53.678 real_cost = 228.554 FORTE1_AL5-scwrl costs 64.218 real_cost = 119.119 FORTE1_AL5 costs 64.212 real_cost = 289.581 FORTE1_AL4-scwrl costs 60.635 real_cost = 96.477 FORTE1_AL4 costs 60.626 real_cost = 264.420 FORTE1_AL3-scwrl costs 64.075 real_cost = 64.088 FORTE1_AL3 costs 64.081 real_cost = 220.326 FORTE1_AL2-scwrl costs 55.935 real_cost = 110.576 FORTE1_AL2 costs 55.975 real_cost = 290.033 FORTE1_AL1-scwrl costs 53.674 real_cost = 44.070 FORTE1_AL1 costs 53.678 real_cost = 228.554 FOLDpro_TS5-scwrl costs 53.311 real_cost = 60.551 FOLDpro_TS5 costs 53.311 real_cost = 60.945 FOLDpro_TS4-scwrl costs 45.870 real_cost = 13.380 FOLDpro_TS4 costs 45.870 real_cost = 21.702 FOLDpro_TS3-scwrl costs 53.552 real_cost = 35.853 FOLDpro_TS3 costs 53.552 real_cost = 42.894 FOLDpro_TS2-scwrl costs 51.486 real_cost = 27.367 FOLDpro_TS2 costs 51.486 real_cost = 31.916 FOLDpro_TS1-scwrl costs 46.383 real_cost = 19.385 FOLDpro_TS1 costs 46.383 real_cost = 28.178 FAMS_TS5-scwrl costs 69.128 real_cost = 197.742 FAMS_TS5 costs 69.122 real_cost = 202.062 FAMS_TS4-scwrl costs 55.711 real_cost = -26.372 FAMS_TS4 costs 55.709 real_cost = -14.769 FAMS_TS3-scwrl costs 60.690 real_cost = 40.101 FAMS_TS3 costs 60.686 real_cost = 38.994 FAMS_TS2-scwrl costs 60.690 real_cost = 40.101 FAMS_TS2 costs 60.686 real_cost = 38.994 FAMS_TS1-scwrl costs 54.098 real_cost = -25.760 FAMS_TS1 costs 54.098 real_cost = -22.698 FAMSD_TS5-scwrl costs 59.075 real_cost = 9.748 FAMSD_TS5 costs 59.086 real_cost = 16.544 FAMSD_TS4-scwrl costs 60.690 real_cost = 40.101 FAMSD_TS4 costs 60.686 real_cost = 38.994 FAMSD_TS3-scwrl costs 62.545 real_cost = 2.644 FAMSD_TS3 costs 62.539 real_cost = 6.415 FAMSD_TS2-scwrl costs 53.198 real_cost = 43.924 FAMSD_TS2 costs 53.187 real_cost = 50.576 FAMSD_TS1-scwrl costs 66.202 real_cost = -2.615 FAMSD_TS1 costs 66.202 real_cost = 5.066 Distill_TS5-scwrl costs 243.314 real_cost = 583.147 Distill_TS4-scwrl costs 243.057 real_cost = 586.779 Distill_TS3-scwrl costs 242.464 real_cost = 581.665 Distill_TS2-scwrl costs 242.891 real_cost = 578.319 Distill_TS1-scwrl costs 242.617 real_cost = 576.888 CaspIta-FOX_TS5-scwrl costs 60.030 real_cost = 92.167 CaspIta-FOX_TS5 costs 59.999 real_cost = 86.791 CaspIta-FOX_TS4-scwrl costs 55.865 real_cost = 33.555 CaspIta-FOX_TS4 costs 55.872 real_cost = 32.393 CaspIta-FOX_TS3-scwrl costs 60.145 real_cost = 19.956 CaspIta-FOX_TS3 costs 60.150 real_cost = 13.766 CaspIta-FOX_TS2-scwrl costs 54.434 real_cost = 36.879 CaspIta-FOX_TS2 costs 54.441 real_cost = 33.514 CaspIta-FOX_TS1-scwrl costs 53.935 real_cost = 29.751 CaspIta-FOX_TS1 costs 53.942 real_cost = 26.251 CPHmodels_TS1-scwrl costs 95.841 real_cost = 185.761 CPHmodels_TS1 costs 95.830 real_cost = 187.473 CIRCLE_TS5-scwrl costs 69.889 real_cost = 204.507 CIRCLE_TS5 costs 69.872 real_cost = 203.390 CIRCLE_TS4-scwrl costs 69.128 real_cost = 197.742 CIRCLE_TS4 costs 69.122 real_cost = 202.062 CIRCLE_TS3-scwrl costs 60.690 real_cost = 40.101 CIRCLE_TS3 costs 60.686 real_cost = 38.994 CIRCLE_TS2-scwrl costs 55.711 real_cost = -26.372 CIRCLE_TS2 costs 55.709 real_cost = -14.769 CIRCLE_TS1-scwrl costs 50.597 real_cost = -41.747 CIRCLE_TS1 costs 50.597 real_cost = -40.701 Bilab-ENABLE_TS5-scwrl costs 50.437 real_cost = 21.209 Bilab-ENABLE_TS5 costs 50.437 real_cost = 21.209 Bilab-ENABLE_TS4-scwrl costs 50.109 real_cost = 24.900 Bilab-ENABLE_TS4 costs 50.109 real_cost = 24.318 Bilab-ENABLE_TS3-scwrl costs 50.390 real_cost = 28.649 Bilab-ENABLE_TS3 costs 50.390 real_cost = 28.651 Bilab-ENABLE_TS2-scwrl costs 55.865 real_cost = 24.413 Bilab-ENABLE_TS2 costs 55.865 real_cost = 24.413 Bilab-ENABLE_TS1-scwrl costs 64.501 real_cost = 16.423 Bilab-ENABLE_TS1 costs 64.501 real_cost = 16.423 BayesHH_TS1-scwrl costs 52.474 real_cost = -38.432 BayesHH_TS1 costs 52.474 real_cost = -25.449 ABIpro_TS5-scwrl costs 56.000 real_cost = 233.263 ABIpro_TS5 costs 56.000 real_cost = 234.182 ABIpro_TS4-scwrl costs 54.474 real_cost = 204.148 ABIpro_TS4 costs 54.474 real_cost = 204.148 ABIpro_TS3-scwrl costs 60.614 real_cost = 223.158 ABIpro_TS3 costs 60.614 real_cost = 223.079 ABIpro_TS2-scwrl costs 51.904 real_cost = 192.495 ABIpro_TS2 costs 51.904 real_cost = 193.020 ABIpro_TS1-scwrl costs 57.123 real_cost = 203.509 ABIpro_TS1 costs 57.123 real_cost = 203.505 3Dpro_TS5-scwrl costs 48.461 real_cost = 68.320 3Dpro_TS5 costs 48.461 real_cost = 73.886 3Dpro_TS4-scwrl costs 45.870 real_cost = 13.380 3Dpro_TS4 costs 45.870 real_cost = 21.702 3Dpro_TS3-scwrl costs 56.116 real_cost = 72.541 3Dpro_TS3 costs 56.116 real_cost = 78.723 3Dpro_TS2-scwrl costs 51.937 real_cost = 17.901 3Dpro_TS2 costs 51.937 real_cost = 23.053 3Dpro_TS1-scwrl costs 45.566 real_cost = 24.318 3Dpro_TS1 costs 45.566 real_cost = 29.644 3D-JIGSAW_TS5-scwrl costs 62.779 real_cost = 76.232 3D-JIGSAW_TS5 costs 62.770 real_cost = 81.904 3D-JIGSAW_TS4-scwrl costs 69.882 real_cost = 93.639 3D-JIGSAW_TS4 costs 69.873 real_cost = 99.639 3D-JIGSAW_TS3-scwrl costs 66.494 real_cost = 88.781 3D-JIGSAW_TS3 costs 66.486 real_cost = 86.682 3D-JIGSAW_TS2-scwrl costs 65.278 real_cost = 76.796 3D-JIGSAW_TS2 costs 65.269 real_cost = 74.967 3D-JIGSAW_TS1-scwrl costs 66.459 real_cost = 74.359 3D-JIGSAW_TS1 costs 66.450 real_cost = 77.127 3D-JIGSAW_RECOM_TS5-scwrl costs 61.247 real_cost = 78.679 3D-JIGSAW_RECOM_TS5 costs 61.238 real_cost = 83.065 3D-JIGSAW_RECOM_TS4-scwrl costs 66.115 real_cost = 75.044 3D-JIGSAW_RECOM_TS4 costs 66.106 real_cost = 79.524 3D-JIGSAW_RECOM_TS3-scwrl costs 60.703 real_cost = 75.929 3D-JIGSAW_RECOM_TS3 costs 60.695 real_cost = 78.319 3D-JIGSAW_RECOM_TS2-scwrl costs 66.444 real_cost = 73.626 3D-JIGSAW_RECOM_TS2 costs 66.435 real_cost = 74.537 3D-JIGSAW_RECOM_TS1-scwrl costs 60.258 real_cost = 76.076 3D-JIGSAW_RECOM_TS1 costs 60.249 real_cost = 75.255 3D-JIGSAW_POPULUS_TS5-scwrl costs 63.055 real_cost = 95.104 3D-JIGSAW_POPULUS_TS5 costs 63.046 real_cost = 92.225 3D-JIGSAW_POPULUS_TS4-scwrl costs 56.412 real_cost = 73.918 3D-JIGSAW_POPULUS_TS4 costs 56.403 real_cost = 71.770 3D-JIGSAW_POPULUS_TS3-scwrl costs 56.839 real_cost = 69.983 3D-JIGSAW_POPULUS_TS3 costs 56.830 real_cost = 67.351 3D-JIGSAW_POPULUS_TS2-scwrl costs 59.447 real_cost = 77.382 3D-JIGSAW_POPULUS_TS2 costs 59.438 real_cost = 74.709 3D-JIGSAW_POPULUS_TS1-scwrl costs 60.550 real_cost = 74.765 3D-JIGSAW_POPULUS_TS1 costs 60.541 real_cost = 72.210 dimer//dimer-1zp2-try3-proto.renum costs 63.810 real_cost = 48.414 dimer//dimer-1zp2-try3-opt2 costs 63.796 real_cost = 50.238 dimer//dimer-1kxu-try6-opt2 costs 61.715 real_cost = 5.793 dimer//dimer-1kxu-try5-opt2 costs 53.101 real_cost = 53.201 dimer//dimer-1kxu-try4-opt2 costs 52.257 real_cost = -16.838 dimer//dimer-1kxu-try3-opt2.unpack costs 63.796 real_cost = 50.105 dimer//dimer-1kxu-try3-opt2 costs 63.796 real_cost = 50.105 dimer//dimer-1kxu-try1-opt2 costs 61.303 real_cost = 12.166 dimer//dimer-1jkw-try4-opt2.unpack costs 52.257 real_cost = -17.497 dimer//dimer-1jkw-try4-opt2 costs 52.257 real_cost = -17.497 dimer//try9-opt2.unpack costs 60.756 real_cost = 50.944 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 50.183 real_cost = 50.171 dimer//try9-opt2.unpack.gromacs0 costs 50.183 real_cost = 52.396 dimer//try9-opt2.repack-nonPC costs 60.756 real_cost = 47.856 dimer//try9-opt2 costs 60.756 real_cost = 50.944 dimer//try9-opt1 costs 60.756 real_cost = 50.855 dimer//try9-opt1-scwrl costs 60.756 real_cost = 46.853 dimer//try8-opt2.unpack costs 61.293 real_cost = 50.672 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 50.645 real_cost = 48.596 dimer//try8-opt2.unpack.gromacs0 costs 50.645 real_cost = 52.030 dimer//try8-opt2.repack-nonPC costs 61.293 real_cost = 47.951 dimer//try8-opt2 costs 61.293 real_cost = 50.672 dimer//try8-opt1 costs 62.027 real_cost = 50.587 dimer//try8-opt1-scwrl costs 62.027 real_cost = 47.021 dimer//try7-opt2.unpack costs 63.539 real_cost = 48.436 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 50.560 real_cost = 50.226 dimer//try7-opt2.unpack.gromacs0 costs 50.560 real_cost = 51.971 dimer//try7-opt2.repack-nonPC costs 63.539 real_cost = 47.789 dimer//try7-opt2 costs 63.539 real_cost = 48.436 dimer//try7-opt1 costs 63.578 real_cost = 48.459 dimer//try7-opt1-scwrl costs 63.578 real_cost = 47.514 dimer//try6-opt2.unpack costs 51.149 real_cost = -17.848 dimer//try6-opt2.unpack.gromacs0.repack-nonPC costs 41.868 real_cost = -14.665 dimer//try6-opt2.unpack.gromacs0 costs 41.868 real_cost = -18.454 dimer//try6-opt2.repack-nonPC costs 51.149 real_cost = -17.457 dimer//try6-opt2 costs 51.149 real_cost = -17.848 dimer//try6-opt1 costs 51.110 real_cost = -18.522 dimer//try6-opt1-scwrl costs 51.110 real_cost = -21.280 dimer//try5-opt2.unpack costs 63.567 real_cost = 48.609 dimer//try5-opt2.unpack.gromacs0.repack-nonPC costs 50.726 real_cost = 49.815 dimer//try5-opt2.unpack.gromacs0 costs 50.726 real_cost = 52.515 dimer//try5-opt2.repack-nonPC costs 63.567 real_cost = 47.278 dimer//try5-opt2 costs 63.567 real_cost = 48.609 dimer//try5-opt1 costs 63.567 real_cost = 48.377 dimer//try5-opt1-scwrl costs 63.567 real_cost = 47.452 dimer//try4-opt2.unpack costs 51.486 real_cost = -18.102 dimer//try4-opt2.unpack.gromacs0.repack-nonPC costs 42.427 real_cost = -17.665 dimer//try4-opt2.unpack.gromacs0 costs 42.427 real_cost = -18.986 dimer//try4-opt2.repack-nonPC costs 51.486 real_cost = -16.528 dimer//try4-opt2 costs 51.486 real_cost = -18.102 dimer//try4-opt1 costs 51.486 real_cost = -18.324 dimer//try4-opt1-scwrl costs 51.486 real_cost = -19.320 dimer//try3-opt2.repack-nonPC costs 52.070 real_cost = -16.781 dimer//try3-opt2 costs 52.070 real_cost = -16.189 dimer//try3-opt2.gromacs0.repack-nonPC costs 47.033 real_cost = -1.462 dimer//try3-opt2.gromacs0 costs 47.033 real_cost = -2.333 dimer//try3-opt1 costs 51.924 real_cost = -16.532 dimer//try3-opt1-scwrl costs 51.924 real_cost = -18.779 dimer//try17-opt2.unpack costs 62.474 real_cost = 48.025 dimer//try17-opt2.unpack.gromacs0.repack-nonPC costs 50.259 real_cost = 47.624 dimer//try17-opt2.unpack.gromacs0 costs 50.259 real_cost = 49.859 dimer//try17-opt2.repack-nonPC costs 62.474 real_cost = 45.672 dimer//try17-opt2 costs 62.474 real_cost = 48.025 dimer//try17-opt1 costs 62.474 real_cost = 48.716 dimer//try17-opt1-scwrl costs 62.474 real_cost = 47.216 dimer//try16-opt2.unpack costs 63.028 real_cost = 50.277 dimer//try16-opt2.unpack.gromacs0.repack-nonPC costs 49.207 real_cost = 50.400 dimer//try16-opt2.unpack.gromacs0 costs 49.207 real_cost = 53.326 dimer//try16-opt2.repack-nonPC costs 63.028 real_cost = 47.348 dimer//try16-opt2 costs 63.028 real_cost = 50.277 dimer//try16-opt1 costs 61.545 real_cost = 50.609 dimer//try16-opt1-scwrl costs 61.545 real_cost = 47.264 dimer//try15-opt2.unpack costs 63.117 real_cost = 58.072 dimer//try15-opt2.unpack.gromacs0.repack-nonPC.unpack costs 47.317 real_cost = 54.810 dimer//try15-opt2.unpack.gromacs0.repack-nonPC costs 47.317 real_cost = 54.810 dimer//try15-opt2.unpack.gromacs0 costs 47.317 real_cost = 59.813 dimer//try15-opt2.repack-nonPC costs 63.117 real_cost = 55.523 dimer//try15-opt2 costs 63.117 real_cost = 58.072 dimer//try15-opt1 costs 63.117 real_cost = 56.690 dimer//try15-opt1-scwrl costs 63.117 real_cost = 53.556 dimer//try14-opt2.unpack costs 61.740 real_cost = 50.015 dimer//try14-opt2.unpack.gromacs0.repack-nonPC costs 50.123 real_cost = 52.669 dimer//try14-opt2.repack-nonPC costs 59.499 real_cost = 47.993 dimer//try14-opt2 costs 61.740 real_cost = 50.015 dimer//try14-opt1 costs 61.740 real_cost = 50.094 dimer//try14-opt1-scwrl costs 61.740 real_cost = 48.059 dimer//try13-opt2.unpack costs 59.499 real_cost = 51.432 dimer//try13-opt2.unpack.gromacs0 costs 50.480 real_cost = 52.829 dimer//try13-opt2.repack-nonPC costs 59.499 real_cost = 51.432 dimer//try13-opt1 costs 59.499 real_cost = 51.397 dimer//try13-opt1-scwrl costs 59.499 real_cost = 48.372 dimer//try12-opt2.unpack costs 60.649 real_cost = 55.453 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 53.340 real_cost = 56.476 dimer//try12-opt2.unpack.gromacs0 costs 53.340 real_cost = 59.645 dimer//try12-opt2.repack-nonPC costs 60.649 real_cost = 57.834 dimer//try12-opt2 costs 60.649 real_cost = 55.453 dimer//try12-opt1 costs 61.001 real_cost = 55.466 dimer//try12-opt1-scwrl costs 61.001 real_cost = 56.960 dimer//try11-opt2.unpack costs 61.952 real_cost = 56.053 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 49.505 real_cost = 58.612 dimer//try11-opt2.unpack.gromacs0 costs 49.505 real_cost = 58.005 dimer//try11-opt2.repack-nonPC costs 61.952 real_cost = 54.646 dimer//try11-opt2 costs 61.952 real_cost = 56.053 dimer//try11-opt1 costs 61.896 real_cost = 52.624 dimer//try11-opt1-scwrl costs 61.896 real_cost = 48.333 dimer//try10-opt2.unpack costs 63.567 real_cost = 48.137 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 50.671 real_cost = 51.784 dimer//try10-opt2.unpack.gromacs0 costs 50.671 real_cost = 52.080 dimer//try10-opt2.repack-nonPC costs 63.567 real_cost = 49.593 dimer//try10-opt2 costs 63.567 real_cost = 48.137 dimer//try10-opt1 costs 63.567 real_cost = 48.565 dimer//try10-opt1-scwrl costs 63.567 real_cost = 47.250 dimer//try1-opt2.unpack costs 64.069 real_cost = 49.591 dimer//try1-opt2.unpack.gromacs0.repack-nonPC.unpack costs 50.078 real_cost = 49.530 dimer//try1-opt2.unpack.gromacs0.repack-nonPC costs 50.078 real_cost = 49.530 dimer//try1-opt2.unpack.gromacs0 costs 50.078 real_cost = 50.830 dimer//try1-opt2.repack-nonPC costs 64.069 real_cost = 47.335 dimer//try1-opt2 costs 64.069 real_cost = 49.591 dimer//try1-opt1 costs 64.069 real_cost = 49.472 dimer//try1-opt1-scwrl costs 64.069 real_cost = 48.418 T0338.try6-opt2.repack-nonPC.pdb.gz costs 61.733 real_cost = 4.124 T0338.try6-opt2.pdb.gz costs 61.733 real_cost = 5.690 T0338.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.534 real_cost = 5.210 T0338.try6-opt2.gromacs0.pdb.gz costs 49.534 real_cost = 5.614 T0338.try6-opt1.pdb.gz costs 55.327 real_cost = 8.294 T0338.try6-opt1-scwrl.pdb.gz costs 55.327 real_cost = 8.299 T0338.try5-opt2.repack-nonPC.pdb.gz costs 53.517 real_cost = 52.775 T0338.try5-opt2.pdb.gz costs 53.517 real_cost = 53.216 T0338.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 43.931 real_cost = 52.170 T0338.try5-opt2.gromacs0.pdb.gz costs 43.931 real_cost = 57.279 T0338.try5-opt1.pdb.gz costs 49.013 real_cost = 53.392 T0338.try5-opt1-scwrl.pdb.gz costs 49.013 real_cost = 52.148 T0338.try4-opt2.repack-nonPC.pdb.gz costs 52.403 real_cost = -19.055 T0338.try4-opt2.pdb.gz costs 52.403 real_cost = -17.346 T0338.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 41.910 real_cost = -20.139 T0338.try4-opt2.gromacs0.pdb.gz costs 41.910 real_cost = -20.162 T0338.try4-opt1.pdb.gz costs 47.350 real_cost = -16.840 T0338.try4-opt1-scwrl.pdb.gz costs 47.350 real_cost = -16.381 T0338.try3-opt2.repack-nonPC.pdb.gz costs 63.796 real_cost = 46.254 T0338.try3-opt2.pdb.gz costs 63.796 real_cost = 50.232 T0338.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.715 real_cost = 51.058 T0338.try3-opt2.gromacs0.pdb.gz costs 50.715 real_cost = 53.223 T0338.try3-opt1.pdb.gz costs 62.826 real_cost = 50.253 T0338.try3-opt1-scwrl.pdb.gz costs 62.826 real_cost = 51.422 T0338.try2-opt2.repack-nonPC.pdb.gz costs 45.702 real_cost = 45.378 T0338.try2-opt2.pdb.gz costs 45.702 real_cost = 40.864 T0338.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.666 real_cost = 40.039 T0338.try2-opt2.gromacs0.pdb.gz costs 39.666 real_cost = 38.812 T0338.try2-opt1.pdb.gz costs 45.341 real_cost = 29.866 T0338.try2-opt1-scwrl.pdb.gz costs 45.341 real_cost = 30.928 T0338.try1-opt2.repack-nonPC.pdb.gz costs 61.387 real_cost = 8.413 T0338.try1-opt2.pdb.gz costs 61.387 real_cost = 12.298 T0338.try1-opt2.gromacs0.pdb.gz costs 44.972 real_cost = 12.982 T0338.try1-opt1.pdb.gz costs 57.186 real_cost = 11.374 T0338.try1-opt1-scwrl.pdb.gz costs 57.186 real_cost = 11.440 ../model5.ts-submitted costs 43.931 real_cost = 52.166 ../model4.ts-submitted costs 61.387 real_cost = 12.223 ../model3.ts-submitted costs 42.427 real_cost = -17.776 ../model2.ts-submitted costs 49.207 real_cost = 50.058 ../model1.ts-submitted costs 47.317 real_cost = 54.869 align5 costs 63.251 real_cost = 119.047 align4 costs 60.078 real_cost = 17.666 align3 costs 51.010 real_cost = 49.017 align2 costs 67.766 real_cost = 162.486 align1 costs 56.464 real_cost = 75.507 T0338.try1-opt2.pdb costs 61.387 real_cost = 12.298 model5-scwrl costs 43.931 real_cost = 51.233 model5.ts-submitted costs 43.931 real_cost = 52.166 model4-scwrl costs 61.387 real_cost = 11.526 model4.ts-submitted costs 61.387 real_cost = 12.223 model3-scwrl costs 42.427 real_cost = -24.518 model3.ts-submitted costs 42.427 real_cost = -17.776 model2-scwrl costs 49.207 real_cost = 48.046 model2.ts-submitted costs 49.207 real_cost = 50.058 model1-scwrl costs 47.317 real_cost = 54.689 model1.ts-submitted costs 47.317 real_cost = 54.869 2ivxA costs 30.476 real_cost = -886.200 # command:CPU_time= 2139.055 sec, elapsed time= 3160.223 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/T0338'