make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0385' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0385.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/T0385.} ;\ 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/T0385/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2ib0A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182803910 # 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= 20.964 sec, elapsed time= 21.431 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= 21.216 sec, elapsed time= 21.755 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0385 numbered 1 through 162 Created new target T0385 from T0385.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2ib0A expands to /projects/compbio/data/pdb/2ib0.pdb.gz 2ib0A: Read 142 residues and 1048 atoms. # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 29.312 sec, elapsed time= 30.036 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 160 # 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 = -74.648 # GDT_score(maxd=8.000,maxw=2.900)= -77.590 # GDT_score(maxd=8.000,maxw=3.200)= -74.143 # GDT_score(maxd=8.000,maxw=3.500)= -70.974 # GDT_score(maxd=10.000,maxw=3.800)= -73.431 # GDT_score(maxd=10.000,maxw=4.000)= -71.506 # GDT_score(maxd=10.000,maxw=4.200)= -69.549 # GDT_score(maxd=12.000,maxw=4.300)= -72.804 # GDT_score(maxd=12.000,maxw=4.500)= -70.884 # GDT_score(maxd=12.000,maxw=4.700)= -68.959 # GDT_score(maxd=14.000,maxw=5.200)= -67.760 # GDT_score(maxd=14.000,maxw=5.500)= -65.003 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0385.model1-real.pdb for output Error: Couldn't open file T0385.model1-real.pdb for output superimposing iter= 0 total_weight= 1616 rmsd (weighted)= 4.40617 (unweighted)= 31.8783 superimposing iter= 1 total_weight= 4912.41 rmsd (weighted)= 1.76272 (unweighted)= 31.6246 superimposing iter= 2 total_weight= 1834.99 rmsd (weighted)= 1.27272 (unweighted)= 31.5181 superimposing iter= 3 total_weight= 1475.66 rmsd (weighted)= 1.04332 (unweighted)= 31.4532 superimposing iter= 4 total_weight= 1390.27 rmsd (weighted)= 0.888838 (unweighted)= 31.4173 superimposing iter= 5 total_weight= 1290.77 rmsd (weighted)= 0.790404 (unweighted)= 31.4003 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 23.194 28.402 44.514 1.00 0.00 ATOM 2 CA MET A 1 22.143 27.673 45.227 1.00 0.00 ATOM 3 CB MET A 1 21.540 26.574 44.443 1.00 0.00 ATOM 4 CG MET A 1 20.640 27.111 43.344 1.00 0.00 ATOM 5 SD MET A 1 20.077 25.914 42.087 1.00 0.00 ATOM 6 CE MET A 1 18.891 24.890 43.065 1.00 0.00 ATOM 7 O MET A 1 22.320 27.186 47.569 1.00 0.00 ATOM 8 C MET A 1 22.780 26.998 46.440 1.00 0.00 ATOM 9 N THR A 2 23.963 26.291 46.285 1.00 0.00 ATOM 10 CA THR A 2 24.630 25.618 47.394 1.00 0.00 ATOM 11 CB THR A 2 25.780 24.741 46.947 1.00 0.00 ATOM 12 CG2 THR A 2 25.266 23.651 46.019 1.00 0.00 ATOM 13 OG1 THR A 2 26.755 25.506 46.231 1.00 0.00 ATOM 14 O THR A 2 25.026 26.308 49.667 1.00 0.00 ATOM 15 C THR A 2 25.155 26.596 48.464 1.00 0.00 ATOM 16 N SER A 3 25.705 27.740 48.022 1.00 0.00 ATOM 17 CA SER A 3 26.185 28.720 48.970 1.00 0.00 ATOM 18 CB SER A 3 26.699 29.957 48.229 1.00 0.00 ATOM 19 OG SER A 3 27.904 29.672 47.537 1.00 0.00 ATOM 20 O SER A 3 25.203 29.424 51.080 1.00 0.00 ATOM 21 C SER A 3 25.017 29.192 49.872 1.00 0.00 ATOM 22 N SER A 4 23.840 29.460 49.322 1.00 0.00 ATOM 23 CA SER A 4 22.746 29.953 50.128 1.00 0.00 ATOM 24 CB SER A 4 21.628 30.500 49.240 1.00 0.00 ATOM 25 OG SER A 4 21.004 29.463 48.505 1.00 0.00 ATOM 26 O SER A 4 22.149 27.694 50.637 1.00 0.00 ATOM 27 C SER A 4 22.069 28.877 50.963 1.00 0.00 ATOM 28 N GLU A 5 21.376 29.282 52.104 1.00 0.00 ATOM 29 CA GLU A 5 20.698 28.315 52.955 1.00 0.00 ATOM 30 CB GLU A 5 20.046 29.036 54.137 1.00 0.00 ATOM 31 CG GLU A 5 21.031 29.524 55.186 1.00 0.00 ATOM 32 CD GLU A 5 20.363 30.339 56.277 1.00 0.00 ATOM 33 OE1 GLU A 5 19.143 30.586 56.172 1.00 0.00 ATOM 34 OE2 GLU A 5 21.059 30.731 57.237 1.00 0.00 ATOM 35 O GLU A 5 19.387 26.407 52.354 1.00 0.00 ATOM 36 C GLU A 5 19.615 27.619 52.160 1.00 0.00 ATOM 37 N PRO A 6 18.900 28.341 51.278 1.00 0.00 ATOM 38 CA PRO A 6 17.846 27.698 50.496 1.00 0.00 ATOM 39 CB PRO A 6 17.083 28.777 49.846 1.00 0.00 ATOM 40 CG PRO A 6 18.083 29.867 49.672 1.00 0.00 ATOM 41 CD PRO A 6 18.821 29.850 50.997 1.00 0.00 ATOM 42 O PRO A 6 17.683 25.615 49.397 1.00 0.00 ATOM 43 C PRO A 6 18.396 26.589 49.607 1.00 0.00 ATOM 44 N ALA A 7 19.581 26.775 49.033 1.00 0.00 ATOM 45 CA ALA A 7 20.181 25.756 48.192 1.00 0.00 ATOM 46 CB ALA A 7 21.471 26.103 47.618 1.00 0.00 ATOM 47 O ALA A 7 20.170 23.408 48.530 1.00 0.00 ATOM 48 C ALA A 7 20.452 24.492 48.996 1.00 0.00 ATOM 49 N HIS A 8 20.982 24.635 50.208 1.00 0.00 ATOM 50 CA HIS A 8 21.260 23.468 51.033 1.00 0.00 ATOM 51 CB HIS A 8 22.010 23.872 52.303 1.00 0.00 ATOM 52 CG HIS A 8 23.421 24.310 52.057 1.00 0.00 ATOM 53 CD2 HIS A 8 24.163 25.554 52.210 1.00 0.00 ATOM 54 ND1 HIS A 8 24.391 23.459 51.572 1.00 0.00 ATOM 55 CE1 HIS A 8 25.549 24.136 51.457 1.00 0.00 ATOM 56 NE2 HIS A 8 25.420 25.394 51.838 1.00 0.00 ATOM 57 O HIS A 8 19.805 21.532 51.253 1.00 0.00 ATOM 58 C HIS A 8 19.964 22.756 51.347 1.00 0.00 ATOM 59 N GLY A 9 18.897 23.574 51.719 1.00 0.00 ATOM 60 CA GLY A 9 17.589 23.023 52.048 1.00 0.00 ATOM 61 O GLY A 9 16.518 21.148 51.025 1.00 0.00 ATOM 62 C GLY A 9 17.036 22.254 50.846 1.00 0.00 ATOM 63 N ALA A 10 17.133 22.849 49.656 1.00 0.00 ATOM 64 CA ALA A 10 16.624 22.181 48.425 1.00 0.00 ATOM 65 CB ALA A 10 16.890 23.077 47.224 1.00 0.00 ATOM 66 O ALA A 10 16.743 19.842 47.890 1.00 0.00 ATOM 67 C ALA A 10 17.346 20.851 48.260 1.00 0.00 ATOM 68 N THR A 11 18.702 20.859 48.579 1.00 0.00 ATOM 69 CA THR A 11 19.524 19.672 48.454 1.00 0.00 ATOM 70 CB THR A 11 21.021 19.897 48.735 1.00 0.00 ATOM 71 CG2 THR A 11 21.792 18.593 48.592 1.00 0.00 ATOM 72 OG1 THR A 11 21.547 20.850 47.804 1.00 0.00 ATOM 73 O THR A 11 18.943 17.420 48.993 1.00 0.00 ATOM 74 C THR A 11 19.058 18.594 49.374 1.00 0.00 ATOM 75 N PRO A 12 18.918 18.947 50.673 1.00 0.00 ATOM 76 CA PRO A 12 18.483 17.949 51.649 1.00 0.00 ATOM 77 CB PRO A 12 18.246 18.711 52.915 1.00 0.00 ATOM 78 CG PRO A 12 19.302 19.739 52.916 1.00 0.00 ATOM 79 CD PRO A 12 19.493 20.144 51.447 1.00 0.00 ATOM 80 O PRO A 12 17.030 16.063 51.324 1.00 0.00 ATOM 81 C PRO A 12 17.167 17.286 51.253 1.00 0.00 ATOM 82 N LYS A 13 16.200 18.096 50.836 1.00 0.00 ATOM 83 CA LYS A 13 14.885 17.584 50.468 1.00 0.00 ATOM 84 CB LYS A 13 14.011 18.737 50.006 1.00 0.00 ATOM 85 CG LYS A 13 12.569 18.358 49.702 1.00 0.00 ATOM 86 CD LYS A 13 11.817 19.599 49.185 1.00 0.00 ATOM 87 CE LYS A 13 10.319 19.307 49.043 1.00 0.00 ATOM 88 NZ LYS A 13 9.613 20.475 48.428 1.00 0.00 ATOM 89 O LYS A 13 14.479 15.462 49.425 1.00 0.00 ATOM 90 C LYS A 13 15.032 16.560 49.351 1.00 0.00 ATOM 91 N ARG A 14 15.752 16.928 48.296 1.00 0.00 ATOM 92 CA ARG A 14 15.901 16.025 47.165 1.00 0.00 ATOM 93 CB ARG A 14 16.483 16.837 45.945 1.00 0.00 ATOM 94 CG ARG A 14 16.901 15.909 44.800 1.00 0.00 ATOM 95 CD ARG A 14 15.660 15.211 44.175 1.00 0.00 ATOM 96 NE ARG A 14 16.008 14.343 43.035 1.00 0.00 ATOM 97 CZ ARG A 14 16.039 13.023 43.171 1.00 0.00 ATOM 98 NH1 ARG A 14 15.708 12.509 44.306 1.00 0.00 ATOM 99 NH2 ARG A 14 16.328 12.249 42.133 1.00 0.00 ATOM 100 O ARG A 14 16.487 13.711 47.005 1.00 0.00 ATOM 101 C ARG A 14 16.730 14.799 47.520 1.00 0.00 ATOM 102 N SER A 15 17.712 14.941 48.402 1.00 0.00 ATOM 103 CA SER A 15 18.567 13.831 48.782 1.00 0.00 ATOM 104 CB SER A 15 19.641 13.578 47.715 1.00 0.00 ATOM 105 OG SER A 15 20.432 12.471 48.093 1.00 0.00 ATOM 106 O SER A 15 19.578 15.266 50.370 1.00 0.00 ATOM 107 C SER A 15 19.262 14.128 50.098 1.00 0.00 ATOM 108 N PRO A 16 19.516 13.090 50.907 1.00 0.00 ATOM 109 CA PRO A 16 20.445 13.293 52.040 1.00 0.00 ATOM 110 CB PRO A 16 20.567 11.911 52.631 1.00 0.00 ATOM 111 CG PRO A 16 19.273 11.224 52.307 1.00 0.00 ATOM 112 CD PRO A 16 18.987 11.721 50.876 1.00 0.00 ATOM 113 O PRO A 16 22.486 14.503 52.407 1.00 0.00 ATOM 114 C PRO A 16 21.795 13.838 51.604 1.00 0.00 ATOM 115 N SER A 17 22.191 13.567 50.361 1.00 0.00 ATOM 116 CA SER A 17 23.456 14.006 49.809 1.00 0.00 ATOM 117 CB SER A 17 24.202 12.795 49.250 1.00 0.00 ATOM 118 OG SER A 17 25.288 13.201 48.390 1.00 0.00 ATOM 119 O SER A 17 22.690 14.709 47.637 1.00 0.00 ATOM 120 C SER A 17 23.246 15.032 48.695 1.00 0.00 ATOM 121 N GLU A 18 23.704 16.258 48.944 1.00 0.00 ATOM 122 CA GLU A 18 23.671 17.296 47.894 1.00 0.00 ATOM 123 CB GLU A 18 24.795 18.400 48.495 1.00 0.00 ATOM 124 CG GLU A 18 24.677 18.882 49.922 1.00 0.00 ATOM 125 CD GLU A 18 25.464 20.164 50.124 1.00 0.00 ATOM 126 OE1 GLU A 18 26.500 20.361 49.437 1.00 0.00 ATOM 127 OE2 GLU A 18 25.022 20.978 50.968 1.00 0.00 ATOM 128 O GLU A 18 23.998 17.147 45.536 1.00 0.00 ATOM 129 C GLU A 18 24.454 16.874 46.675 1.00 0.00 ATOM 130 N GLY A 19 25.608 16.125 46.912 1.00 0.00 ATOM 131 CA GLY A 19 26.430 15.648 45.815 1.00 0.00 ATOM 132 O GLY A 19 26.184 14.371 43.806 1.00 0.00 ATOM 133 C GLY A 19 25.756 14.582 44.958 1.00 0.00 ATOM 134 N SER A 20 24.712 13.934 45.483 1.00 0.00 ATOM 135 CA SER A 20 24.038 12.891 44.706 1.00 0.00 ATOM 136 CB SER A 20 22.947 12.277 45.562 1.00 0.00 ATOM 137 OG SER A 20 23.456 11.512 46.618 1.00 0.00 ATOM 138 O SER A 20 23.490 12.783 42.371 1.00 0.00 ATOM 139 C SER A 20 23.412 13.419 43.420 1.00 0.00 ATOM 140 N ALA A 21 22.784 14.581 43.495 1.00 0.00 ATOM 141 CA ALA A 21 22.146 15.178 42.330 1.00 0.00 ATOM 142 CB ALA A 21 21.377 16.473 42.748 1.00 0.00 ATOM 143 O ALA A 21 22.964 15.064 40.069 1.00 0.00 ATOM 144 C ALA A 21 23.181 15.425 41.227 1.00 0.00 ATOM 145 N ASP A 22 24.292 16.033 41.583 1.00 0.00 ATOM 146 CA ASP A 22 25.328 16.307 40.588 1.00 0.00 ATOM 147 CB ASP A 22 26.525 17.008 41.192 1.00 0.00 ATOM 148 CG ASP A 22 26.260 18.483 41.447 1.00 0.00 ATOM 149 OD1 ASP A 22 25.278 19.024 40.894 1.00 0.00 ATOM 150 OD2 ASP A 22 26.972 19.182 42.196 1.00 0.00 ATOM 151 O ASP A 22 26.164 14.961 38.800 1.00 0.00 ATOM 152 C ASP A 22 25.915 15.040 40.010 1.00 0.00 ATOM 153 N ASN A 23 26.053 14.012 40.845 1.00 0.00 ATOM 154 CA ASN A 23 26.537 12.723 40.376 1.00 0.00 ATOM 155 CB ASN A 23 26.621 11.692 41.473 1.00 0.00 ATOM 156 CG ASN A 23 27.695 12.098 42.448 1.00 0.00 ATOM 157 ND2 ASN A 23 27.557 11.572 43.661 1.00 0.00 ATOM 158 OD1 ASN A 23 28.647 12.822 42.159 1.00 0.00 ATOM 159 O ASN A 23 26.146 11.628 38.262 1.00 0.00 ATOM 160 C ASN A 23 25.656 12.119 39.301 1.00 0.00 ATOM 161 N ALA A 24 24.356 12.092 39.581 1.00 0.00 ATOM 162 CA ALA A 24 23.368 11.540 38.659 1.00 0.00 ATOM 163 CB ALA A 24 21.969 11.533 39.268 1.00 0.00 ATOM 164 O ALA A 24 23.212 11.690 36.265 1.00 0.00 ATOM 165 C ALA A 24 23.290 12.292 37.337 1.00 0.00 ATOM 166 N ALA A 25 23.330 13.591 37.439 1.00 0.00 ATOM 167 CA ALA A 25 23.267 14.442 36.272 1.00 0.00 ATOM 168 CB ALA A 25 23.141 15.925 36.651 1.00 0.00 ATOM 169 O ALA A 25 24.410 14.117 34.186 1.00 0.00 ATOM 170 C ALA A 25 24.507 14.226 35.407 1.00 0.00 ATOM 171 N LEU A 26 25.688 14.155 36.034 1.00 0.00 ATOM 172 CA LEU A 26 26.925 13.941 35.286 1.00 0.00 ATOM 173 CB LEU A 26 28.145 14.105 36.193 1.00 0.00 ATOM 174 CG LEU A 26 28.423 15.522 36.704 1.00 0.00 ATOM 175 CD1 LEU A 26 29.548 15.511 37.728 1.00 0.00 ATOM 176 CD2 LEU A 26 28.830 16.436 35.563 1.00 0.00 ATOM 177 O LEU A 26 27.309 12.480 33.424 1.00 0.00 ATOM 178 C LEU A 26 26.934 12.580 34.591 1.00 0.00 ATOM 179 N CYS A 27 26.468 11.502 35.270 1.00 0.00 ATOM 180 CA CYS A 27 26.400 10.165 34.683 1.00 0.00 ATOM 181 CB CYS A 27 26.140 9.131 35.794 1.00 0.00 ATOM 182 SG CYS A 27 26.311 7.424 35.218 1.00 0.00 ATOM 183 O CYS A 27 25.465 9.465 32.569 1.00 0.00 ATOM 184 C CYS A 27 25.344 10.117 33.587 1.00 0.00 ATOM 185 N ASP A 28 24.210 10.829 33.854 1.00 0.00 ATOM 186 CA ASP A 28 23.152 10.824 32.849 1.00 0.00 ATOM 187 CB ASP A 28 21.954 11.643 33.335 1.00 0.00 ATOM 188 CG ASP A 28 21.165 10.936 34.418 1.00 0.00 ATOM 189 OD1 ASP A 28 21.394 9.723 34.623 1.00 0.00 ATOM 190 OD2 ASP A 28 20.317 11.590 35.061 1.00 0.00 ATOM 191 O ASP A 28 23.482 10.789 30.474 1.00 0.00 ATOM 192 C ASP A 28 23.684 11.382 31.535 1.00 0.00 ATOM 193 N ALA A 29 24.394 12.531 31.583 1.00 0.00 ATOM 194 CA ALA A 29 24.962 13.164 30.393 1.00 0.00 ATOM 195 CB ALA A 29 25.445 14.606 30.816 1.00 0.00 ATOM 196 O ALA A 29 26.242 12.212 28.589 1.00 0.00 ATOM 197 C ALA A 29 26.081 12.305 29.809 1.00 0.00 ATOM 198 N LEU A 30 26.856 11.648 30.689 1.00 0.00 ATOM 199 CA LEU A 30 27.954 10.785 30.251 1.00 0.00 ATOM 200 CB LEU A 30 28.604 10.093 31.451 1.00 0.00 ATOM 201 CG LEU A 30 29.761 9.142 31.137 1.00 0.00 ATOM 202 CD1 LEU A 30 30.944 9.906 30.563 1.00 0.00 ATOM 203 CD2 LEU A 30 30.226 8.426 32.396 1.00 0.00 ATOM 204 O LEU A 30 27.867 9.476 28.223 1.00 0.00 ATOM 205 C LEU A 30 27.396 9.667 29.353 1.00 0.00 ATOM 206 N ALA A 31 26.412 8.928 29.852 1.00 0.00 ATOM 207 CA ALA A 31 25.829 7.840 29.076 1.00 0.00 ATOM 208 CB ALA A 31 24.889 6.977 29.902 1.00 0.00 ATOM 209 O ALA A 31 25.066 7.690 26.753 1.00 0.00 ATOM 210 C ALA A 31 25.016 8.304 27.824 1.00 0.00 ATOM 211 N VAL A 32 24.302 9.410 27.968 1.00 0.00 ATOM 212 CA VAL A 32 23.583 10.054 26.855 1.00 0.00 ATOM 213 CB VAL A 32 22.794 11.288 27.333 1.00 0.00 ATOM 214 CG1 VAL A 32 22.224 12.048 26.143 1.00 0.00 ATOM 215 CG2 VAL A 32 21.642 10.868 28.231 1.00 0.00 ATOM 216 O VAL A 32 24.255 10.284 24.567 1.00 0.00 ATOM 217 C VAL A 32 24.564 10.468 25.754 1.00 0.00 ATOM 218 N GLU A 33 25.703 11.061 26.119 1.00 0.00 ATOM 219 CA GLU A 33 26.705 11.457 25.134 1.00 0.00 ATOM 220 CB GLU A 33 27.817 12.263 25.809 1.00 0.00 ATOM 221 CG GLU A 33 27.374 13.626 26.317 1.00 0.00 ATOM 222 CD GLU A 33 26.810 14.504 25.218 1.00 0.00 ATOM 223 OE1 GLU A 33 27.490 14.673 24.184 1.00 0.00 ATOM 224 OE2 GLU A 33 25.687 15.023 25.390 1.00 0.00 ATOM 225 O GLU A 33 27.612 10.245 23.201 1.00 0.00 ATOM 226 C GLU A 33 27.331 10.240 24.420 1.00 0.00 ATOM 227 N HIS A 34 27.552 9.172 25.174 1.00 0.00 ATOM 228 CA HIS A 34 28.047 7.934 24.558 1.00 0.00 ATOM 229 CB HIS A 34 27.948 6.773 25.457 1.00 0.00 ATOM 230 CG HIS A 34 29.060 6.770 26.459 1.00 0.00 ATOM 231 CD2 HIS A 34 30.361 7.132 26.339 1.00 0.00 ATOM 232 ND1 HIS A 34 28.900 6.337 27.756 1.00 0.00 ATOM 233 CE1 HIS A 34 30.057 6.431 28.395 1.00 0.00 ATOM 234 NE2 HIS A 34 30.956 6.910 27.558 1.00 0.00 ATOM 235 O HIS A 34 27.440 7.173 22.359 1.00 0.00 ATOM 236 C HIS A 34 27.055 7.487 23.487 1.00 0.00 ATOM 237 N ALA A 35 25.784 7.421 23.853 1.00 0.00 ATOM 238 CA ALA A 35 24.745 7.024 22.917 1.00 0.00 ATOM 239 CB ALA A 35 23.409 6.942 23.668 1.00 0.00 ATOM 240 O ALA A 35 24.466 7.516 20.602 1.00 0.00 ATOM 241 C ALA A 35 24.674 7.978 21.715 1.00 0.00 ATOM 242 N THR A 36 24.843 9.283 21.924 1.00 0.00 ATOM 243 CA THR A 36 24.889 10.244 20.803 1.00 0.00 ATOM 244 CB THR A 36 25.131 11.674 21.305 1.00 0.00 ATOM 245 CG2 THR A 36 24.972 12.665 20.154 1.00 0.00 ATOM 246 OG1 THR A 36 24.177 11.987 22.328 1.00 0.00 ATOM 247 O THR A 36 25.854 9.939 18.621 1.00 0.00 ATOM 248 C THR A 36 26.023 9.914 19.841 1.00 0.00 ATOM 249 N ILE A 37 27.185 9.585 20.396 1.00 0.00 ATOM 250 CA ILE A 37 28.329 9.236 19.570 1.00 0.00 ATOM 251 CB ILE A 37 29.578 9.039 20.413 1.00 0.00 ATOM 252 CG1 ILE A 37 30.156 10.337 21.036 1.00 0.00 ATOM 253 CG2 ILE A 37 30.712 8.391 19.640 1.00 0.00 ATOM 254 CD1 ILE A 37 31.063 10.102 22.251 1.00 0.00 ATOM 255 O ILE A 37 28.202 7.978 17.553 1.00 0.00 ATOM 256 C ILE A 37 27.969 8.006 18.744 1.00 0.00 ATOM 257 N TYR A 38 27.373 7.002 19.379 1.00 0.00 ATOM 258 CA TYR A 38 27.011 5.754 18.690 1.00 0.00 ATOM 259 CB TYR A 38 26.647 4.656 19.746 1.00 0.00 ATOM 260 CG TYR A 38 26.433 3.299 19.098 1.00 0.00 ATOM 261 CD1 TYR A 38 27.538 2.597 18.639 1.00 0.00 ATOM 262 CD2 TYR A 38 25.157 2.773 18.924 1.00 0.00 ATOM 263 CE1 TYR A 38 27.395 1.366 18.013 1.00 0.00 ATOM 264 CE2 TYR A 38 25.004 1.522 18.337 1.00 0.00 ATOM 265 CZ TYR A 38 26.113 0.846 17.883 1.00 0.00 ATOM 266 OH TYR A 38 25.971 -0.379 17.264 1.00 0.00 ATOM 267 O TYR A 38 25.932 5.289 16.595 1.00 0.00 ATOM 268 C TYR A 38 25.937 5.963 17.646 1.00 0.00 ATOM 269 N GLY A 39 24.994 6.859 17.914 1.00 0.00 ATOM 270 CA GLY A 39 23.938 7.180 16.962 1.00 0.00 ATOM 271 O GLY A 39 24.147 7.433 14.583 1.00 0.00 ATOM 272 C GLY A 39 24.534 7.804 15.700 1.00 0.00 ATOM 273 N TYR A 40 25.471 8.737 15.859 1.00 0.00 ATOM 274 CA TYR A 40 26.100 9.399 14.713 1.00 0.00 ATOM 275 CB TYR A 40 27.014 10.534 15.183 1.00 0.00 ATOM 276 CG TYR A 40 26.273 11.707 15.785 1.00 0.00 ATOM 277 CD1 TYR A 40 24.905 11.860 15.589 1.00 0.00 ATOM 278 CD2 TYR A 40 26.942 12.657 16.543 1.00 0.00 ATOM 279 CE1 TYR A 40 24.220 12.928 16.132 1.00 0.00 ATOM 280 CE2 TYR A 40 26.273 13.733 17.096 1.00 0.00 ATOM 281 CZ TYR A 40 24.901 13.863 16.883 1.00 0.00 ATOM 282 OH TYR A 40 24.221 14.930 17.426 1.00 0.00 ATOM 283 O TYR A 40 26.777 8.236 12.732 1.00 0.00 ATOM 284 C TYR A 40 26.873 8.304 13.941 1.00 0.00 ATOM 285 N GLY A 41 27.632 7.460 14.639 1.00 0.00 ATOM 286 CA GLY A 41 28.321 6.363 13.986 1.00 0.00 ATOM 287 O GLY A 41 27.534 5.195 12.056 1.00 0.00 ATOM 288 C GLY A 41 27.328 5.505 13.231 1.00 0.00 ATOM 289 N ILE A 42 26.267 5.102 13.928 1.00 0.00 ATOM 290 CA ILE A 42 25.194 4.332 13.294 1.00 0.00 ATOM 291 CB ILE A 42 24.134 4.069 14.303 1.00 0.00 ATOM 292 CG1 ILE A 42 23.839 2.636 14.295 1.00 0.00 ATOM 293 CG2 ILE A 42 22.961 4.978 14.418 1.00 0.00 ATOM 294 CD1 ILE A 42 24.936 1.960 14.961 1.00 0.00 ATOM 295 O ILE A 42 24.257 4.685 11.079 1.00 0.00 ATOM 296 C ILE A 42 24.535 5.164 12.194 1.00 0.00 ATOM 297 N VAL A 43 24.330 6.439 12.481 1.00 0.00 ATOM 298 CA VAL A 43 23.752 7.361 11.520 1.00 0.00 ATOM 299 CB VAL A 43 23.401 8.791 11.971 1.00 0.00 ATOM 300 CG1 VAL A 43 22.861 9.601 10.801 1.00 0.00 ATOM 301 CG2 VAL A 43 22.343 8.760 13.064 1.00 0.00 ATOM 302 O VAL A 43 24.128 7.425 9.154 1.00 0.00 ATOM 303 C VAL A 43 24.626 7.483 10.277 1.00 0.00 ATOM 304 N SER A 44 25.921 7.675 10.473 1.00 0.00 ATOM 305 CA SER A 44 26.859 7.798 9.362 1.00 0.00 ATOM 306 CB SER A 44 28.217 8.158 9.780 1.00 0.00 ATOM 307 OG SER A 44 28.803 7.113 10.517 1.00 0.00 ATOM 308 O SER A 44 26.890 6.536 7.326 1.00 0.00 ATOM 309 C SER A 44 26.843 6.506 8.554 1.00 0.00 ATOM 310 N ALA A 45 26.765 5.325 9.230 1.00 0.00 ATOM 311 CA ALA A 45 26.771 4.039 8.512 1.00 0.00 ATOM 312 CB ALA A 45 26.759 2.850 9.460 1.00 0.00 ATOM 313 O ALA A 45 25.605 3.412 6.485 1.00 0.00 ATOM 314 C ALA A 45 25.542 3.945 7.631 1.00 0.00 ATOM 315 N LEU A 46 24.424 4.445 8.170 1.00 0.00 ATOM 316 CA LEU A 46 23.179 4.502 7.393 1.00 0.00 ATOM 317 CB LEU A 46 22.102 3.608 8.206 1.00 0.00 ATOM 318 CG LEU A 46 22.480 2.126 8.394 1.00 0.00 ATOM 319 CD1 LEU A 46 21.435 1.406 9.212 1.00 0.00 ATOM 320 CD2 LEU A 46 22.683 1.429 7.078 1.00 0.00 ATOM 321 O LEU A 46 22.074 6.032 5.963 1.00 0.00 ATOM 322 C LEU A 46 23.082 5.816 6.646 1.00 0.00 ATOM 323 N SER A 47 24.076 6.868 6.734 1.00 0.00 ATOM 324 CA SER A 47 23.970 8.174 6.096 1.00 0.00 ATOM 325 CB SER A 47 24.238 9.303 7.136 1.00 0.00 ATOM 326 OG SER A 47 25.617 9.311 7.469 1.00 0.00 ATOM 327 O SER A 47 25.813 7.525 4.724 1.00 0.00 ATOM 328 C SER A 47 24.927 8.340 4.932 1.00 0.00 ATOM 329 N PRO A 48 24.655 9.323 4.076 1.00 0.00 ATOM 330 CA PRO A 48 25.516 9.533 2.926 1.00 0.00 ATOM 331 CB PRO A 48 24.835 10.664 2.152 1.00 0.00 ATOM 332 CG PRO A 48 24.012 11.373 3.174 1.00 0.00 ATOM 333 CD PRO A 48 23.540 10.316 4.135 1.00 0.00 ATOM 334 O PRO A 48 27.196 10.421 4.389 1.00 0.00 ATOM 335 C PRO A 48 26.940 9.933 3.285 1.00 0.00 ATOM 336 N PRO A 49 27.911 9.690 2.335 1.00 0.00 ATOM 337 CA PRO A 49 29.311 10.041 2.579 1.00 0.00 ATOM 338 CB PRO A 49 30.056 9.204 1.546 1.00 0.00 ATOM 339 CG PRO A 49 29.093 9.188 0.392 1.00 0.00 ATOM 340 CD PRO A 49 27.774 8.913 1.089 1.00 0.00 ATOM 341 O PRO A 49 30.666 11.898 3.232 1.00 0.00 ATOM 342 C PRO A 49 29.693 11.518 2.581 1.00 0.00 ATOM 343 N GLY A 50 31.535 13.343 2.143 1.00 0.00 ATOM 344 CA GLY A 50 31.590 14.597 2.843 1.00 0.00 ATOM 345 O GLY A 50 31.177 14.946 5.174 1.00 0.00 ATOM 346 C GLY A 50 30.729 14.591 4.085 1.00 0.00 ATOM 347 N VAL A 51 29.482 14.202 3.920 1.00 0.00 ATOM 348 CA VAL A 51 28.569 14.071 5.051 1.00 0.00 ATOM 349 CB VAL A 51 27.174 13.601 4.597 1.00 0.00 ATOM 350 CG1 VAL A 51 26.301 13.282 5.801 1.00 0.00 ATOM 351 CG2 VAL A 51 26.487 14.685 3.778 1.00 0.00 ATOM 352 O VAL A 51 29.034 13.212 7.259 1.00 0.00 ATOM 353 C VAL A 51 29.137 13.040 6.036 1.00 0.00 ATOM 354 N ASN A 52 29.688 11.947 5.505 1.00 0.00 ATOM 355 CA ASN A 52 30.242 10.876 6.350 1.00 0.00 ATOM 356 CB ASN A 52 30.744 9.716 5.486 1.00 0.00 ATOM 357 CG ASN A 52 31.245 8.548 6.312 1.00 0.00 ATOM 358 ND2 ASN A 52 32.533 8.249 6.195 1.00 0.00 ATOM 359 OD1 ASN A 52 30.481 7.923 7.046 1.00 0.00 ATOM 360 O ASN A 52 31.574 11.186 8.338 1.00 0.00 ATOM 361 C ASN A 52 31.420 11.457 7.145 1.00 0.00 ATOM 362 N PHE A 53 32.252 12.279 6.479 1.00 0.00 ATOM 363 CA PHE A 53 33.397 12.934 7.107 1.00 0.00 ATOM 364 CB PHE A 53 34.138 13.764 6.044 1.00 0.00 ATOM 365 CG PHE A 53 35.377 14.443 6.567 1.00 0.00 ATOM 366 CD1 PHE A 53 36.514 13.701 6.874 1.00 0.00 ATOM 367 CD2 PHE A 53 35.394 15.819 6.775 1.00 0.00 ATOM 368 CE1 PHE A 53 37.654 14.317 7.384 1.00 0.00 ATOM 369 CE2 PHE A 53 36.533 16.452 7.286 1.00 0.00 ATOM 370 CZ PHE A 53 37.663 15.695 7.588 1.00 0.00 ATOM 371 O PHE A 53 33.504 13.798 9.338 1.00 0.00 ATOM 372 C PHE A 53 32.934 13.824 8.258 1.00 0.00 ATOM 373 N LEU A 54 31.911 14.623 8.006 1.00 0.00 ATOM 374 CA LEU A 54 31.368 15.524 9.019 1.00 0.00 ATOM 375 CB LEU A 54 30.158 16.279 8.469 1.00 0.00 ATOM 376 CG LEU A 54 30.442 17.320 7.384 1.00 0.00 ATOM 377 CD1 LEU A 54 29.144 17.861 6.803 1.00 0.00 ATOM 378 CD2 LEU A 54 31.232 18.489 7.954 1.00 0.00 ATOM 379 O LEU A 54 31.253 15.152 11.401 1.00 0.00 ATOM 380 C LEU A 54 30.954 14.744 10.272 1.00 0.00 ATOM 381 N VAL A 55 30.270 13.616 10.059 1.00 0.00 ATOM 382 CA VAL A 55 29.802 12.753 11.140 1.00 0.00 ATOM 383 CB VAL A 55 28.878 11.632 10.627 1.00 0.00 ATOM 384 CG1 VAL A 55 28.563 10.648 11.745 1.00 0.00 ATOM 385 CG2 VAL A 55 27.567 12.213 10.116 1.00 0.00 ATOM 386 O VAL A 55 30.928 11.999 13.125 1.00 0.00 ATOM 387 C VAL A 55 30.978 12.119 11.897 1.00 0.00 ATOM 388 N ALA A 56 32.030 11.738 11.198 1.00 0.00 ATOM 389 CA ALA A 56 33.186 11.160 11.871 1.00 0.00 ATOM 390 CB ALA A 56 34.225 10.674 10.920 1.00 0.00 ATOM 391 O ALA A 56 34.128 11.905 13.957 1.00 0.00 ATOM 392 C ALA A 56 33.807 12.207 12.806 1.00 0.00 ATOM 393 N ASP A 57 33.985 13.449 12.315 1.00 0.00 ATOM 394 CA ASP A 57 34.539 14.531 13.132 1.00 0.00 ATOM 395 CB ASP A 57 34.658 15.817 12.314 1.00 0.00 ATOM 396 CG ASP A 57 35.806 15.773 11.324 1.00 0.00 ATOM 397 OD1 ASP A 57 36.647 14.856 11.431 1.00 0.00 ATOM 398 OD2 ASP A 57 35.863 16.656 10.442 1.00 0.00 ATOM 399 O ASP A 57 34.088 15.031 15.433 1.00 0.00 ATOM 400 C ASP A 57 33.624 14.799 14.319 1.00 0.00 ATOM 401 N ALA A 58 32.298 14.777 14.080 1.00 0.00 ATOM 402 CA ALA A 58 31.327 15.014 15.140 1.00 0.00 ATOM 403 CB ALA A 58 29.907 15.032 14.546 1.00 0.00 ATOM 404 O ALA A 58 31.282 14.230 17.406 1.00 0.00 ATOM 405 C ALA A 58 31.425 13.927 16.224 1.00 0.00 ATOM 406 N LEU A 59 31.692 12.693 15.821 1.00 0.00 ATOM 407 CA LEU A 59 31.855 11.577 16.771 1.00 0.00 ATOM 408 CB LEU A 59 32.047 10.252 16.068 1.00 0.00 ATOM 409 CG LEU A 59 30.760 9.757 15.386 1.00 0.00 ATOM 410 CD1 LEU A 59 31.038 8.567 14.517 1.00 0.00 ATOM 411 CD2 LEU A 59 29.665 9.424 16.410 1.00 0.00 ATOM 412 O LEU A 59 32.980 11.588 18.917 1.00 0.00 ATOM 413 C LEU A 59 33.055 11.793 17.685 1.00 0.00 ATOM 414 N LYS A 60 34.184 12.247 17.127 1.00 0.00 ATOM 415 CA LYS A 60 35.383 12.547 17.905 1.00 0.00 ATOM 416 CB LYS A 60 36.558 12.949 17.008 1.00 0.00 ATOM 417 CG LYS A 60 37.858 13.183 17.758 1.00 0.00 ATOM 418 CD LYS A 60 38.994 13.510 16.803 1.00 0.00 ATOM 419 CE LYS A 60 40.285 13.790 17.555 1.00 0.00 ATOM 420 NZ LYS A 60 41.402 14.136 16.632 1.00 0.00 ATOM 421 O LYS A 60 35.556 13.580 20.063 1.00 0.00 ATOM 422 C LYS A 60 35.162 13.680 18.899 1.00 0.00 ATOM 423 N GLN A 61 34.524 14.759 18.452 1.00 0.00 ATOM 424 CA GLN A 61 34.253 15.894 19.327 1.00 0.00 ATOM 425 CB GLN A 61 33.519 16.975 18.613 1.00 0.00 ATOM 426 CG GLN A 61 34.355 17.584 17.499 1.00 0.00 ATOM 427 CD GLN A 61 35.720 18.057 17.966 1.00 0.00 ATOM 428 OE1 GLN A 61 36.733 17.787 17.310 1.00 0.00 ATOM 429 NE2 GLN A 61 35.763 18.776 19.090 1.00 0.00 ATOM 430 O GLN A 61 33.512 15.962 21.610 1.00 0.00 ATOM 431 C GLN A 61 33.336 15.508 20.483 1.00 0.00 ATOM 432 N HIS A 62 32.337 14.636 20.220 1.00 0.00 ATOM 433 CA HIS A 62 31.419 14.182 21.248 1.00 0.00 ATOM 434 CB HIS A 62 30.217 13.437 20.489 1.00 0.00 ATOM 435 CG HIS A 62 29.060 14.298 20.076 1.00 0.00 ATOM 436 CD2 HIS A 62 27.807 14.333 20.589 1.00 0.00 ATOM 437 ND1 HIS A 62 29.072 15.191 19.030 1.00 0.00 ATOM 438 CE1 HIS A 62 27.877 15.762 18.925 1.00 0.00 ATOM 439 NE2 HIS A 62 27.081 15.272 19.854 1.00 0.00 ATOM 440 O HIS A 62 31.792 13.479 23.490 1.00 0.00 ATOM 441 C HIS A 62 32.152 13.390 22.311 1.00 0.00 ATOM 442 N ARG A 63 33.164 12.611 21.907 1.00 0.00 ATOM 443 CA ARG A 63 33.985 11.879 22.894 1.00 0.00 ATOM 444 CB ARG A 63 35.015 10.998 22.184 1.00 0.00 ATOM 445 CG ARG A 63 35.879 10.172 23.121 1.00 0.00 ATOM 446 CD ARG A 63 36.798 9.240 22.350 1.00 0.00 ATOM 447 NE ARG A 63 37.665 8.468 23.235 1.00 0.00 ATOM 448 CZ ARG A 63 38.597 7.619 22.816 1.00 0.00 ATOM 449 NH1 ARG A 63 39.338 6.959 23.697 1.00 0.00 ATOM 450 NH2 ARG A 63 38.784 7.427 21.517 1.00 0.00 ATOM 451 O ARG A 63 34.884 12.527 25.014 1.00 0.00 ATOM 452 C ARG A 63 34.726 12.826 23.822 1.00 0.00 ATOM 453 N HIS A 64 35.192 13.951 23.297 1.00 0.00 ATOM 454 CA HIS A 64 35.822 14.946 24.164 1.00 0.00 ATOM 455 CB HIS A 64 36.342 16.125 23.338 1.00 0.00 ATOM 456 CG HIS A 64 37.018 17.184 24.153 1.00 0.00 ATOM 457 CD2 HIS A 64 36.688 18.538 24.575 1.00 0.00 ATOM 458 ND1 HIS A 64 38.257 17.005 24.726 1.00 0.00 ATOM 459 CE1 HIS A 64 38.599 18.121 25.394 1.00 0.00 ATOM 460 NE2 HIS A 64 37.661 19.047 25.306 1.00 0.00 ATOM 461 O HIS A 64 35.216 15.500 26.426 1.00 0.00 ATOM 462 C HIS A 64 34.844 15.383 25.256 1.00 0.00 ATOM 463 N ARG A 65 33.577 15.617 24.831 1.00 0.00 ATOM 464 CA ARG A 65 32.525 15.991 25.774 1.00 0.00 ATOM 465 CB ARG A 65 31.183 16.177 25.063 1.00 0.00 ATOM 466 CG ARG A 65 31.099 17.435 24.214 1.00 0.00 ATOM 467 CD ARG A 65 29.771 17.519 23.481 1.00 0.00 ATOM 468 NE ARG A 65 29.686 18.711 22.637 1.00 0.00 ATOM 469 CZ ARG A 65 28.664 18.986 21.836 1.00 0.00 ATOM 470 NH1 ARG A 65 28.672 20.093 21.105 1.00 0.00 ATOM 471 NH2 ARG A 65 27.631 18.154 21.768 1.00 0.00 ATOM 472 O ARG A 65 32.197 15.151 27.996 1.00 0.00 ATOM 473 C ARG A 65 32.349 14.880 26.804 1.00 0.00 ATOM 474 N ARG A 66 32.368 13.633 26.342 1.00 0.00 ATOM 475 CA ARG A 66 32.221 12.511 27.260 1.00 0.00 ATOM 476 CB ARG A 66 32.947 11.199 26.581 1.00 0.00 ATOM 477 CG ARG A 66 32.426 9.807 26.958 1.00 0.00 ATOM 478 CD ARG A 66 33.195 8.651 26.344 1.00 0.00 ATOM 479 NE ARG A 66 34.457 8.417 27.036 1.00 0.00 ATOM 480 CZ ARG A 66 35.253 7.374 26.843 1.00 0.00 ATOM 481 NH1 ARG A 66 34.958 6.439 25.957 1.00 0.00 ATOM 482 NH2 ARG A 66 36.363 7.256 27.541 1.00 0.00 ATOM 483 O ARG A 66 33.139 12.262 29.462 1.00 0.00 ATOM 484 C ARG A 66 33.357 12.513 28.275 1.00 0.00 ATOM 485 N ASP A 67 34.548 12.792 27.801 1.00 0.00 ATOM 486 CA ASP A 67 35.694 12.825 28.700 1.00 0.00 ATOM 487 CB ASP A 67 37.007 12.940 27.925 1.00 0.00 ATOM 488 CG ASP A 67 37.314 11.695 27.106 1.00 0.00 ATOM 489 OD1 ASP A 67 36.816 10.605 27.455 1.00 0.00 ATOM 490 OD2 ASP A 67 38.079 11.812 26.121 1.00 0.00 ATOM 491 O ASP A 67 36.023 13.815 30.860 1.00 0.00 ATOM 492 C ASP A 67 35.590 13.956 29.715 1.00 0.00 ATOM 493 N ASP A 68 35.004 15.078 29.317 1.00 0.00 ATOM 494 CA ASP A 68 34.864 16.213 30.223 1.00 0.00 ATOM 495 CB ASP A 68 34.324 17.454 29.493 1.00 0.00 ATOM 496 CG ASP A 68 35.355 18.112 28.591 1.00 0.00 ATOM 497 OD1 ASP A 68 36.570 17.912 28.806 1.00 0.00 ATOM 498 OD2 ASP A 68 34.944 18.850 27.674 1.00 0.00 ATOM 499 O ASP A 68 34.240 16.160 32.537 1.00 0.00 ATOM 500 C ASP A 68 33.962 15.813 31.393 1.00 0.00 ATOM 501 N VAL A 69 32.867 15.091 31.112 1.00 0.00 ATOM 502 CA VAL A 69 32.040 14.543 32.209 1.00 0.00 ATOM 503 CB VAL A 69 30.824 13.770 31.668 1.00 0.00 ATOM 504 CG1 VAL A 69 30.102 13.052 32.797 1.00 0.00 ATOM 505 CG2 VAL A 69 29.844 14.721 30.998 1.00 0.00 ATOM 506 O VAL A 69 32.765 13.603 34.306 1.00 0.00 ATOM 507 C VAL A 69 32.841 13.586 33.081 1.00 0.00 ATOM 508 N ILE A 70 33.626 12.720 32.440 1.00 0.00 ATOM 509 CA ILE A 70 34.444 11.772 33.198 1.00 0.00 ATOM 510 CB ILE A 70 35.366 10.954 32.273 1.00 0.00 ATOM 511 CG1 ILE A 70 34.538 10.032 31.375 1.00 0.00 ATOM 512 CG2 ILE A 70 36.321 10.101 33.095 1.00 0.00 ATOM 513 CD1 ILE A 70 35.334 9.395 30.258 1.00 0.00 ATOM 514 O ILE A 70 35.292 12.112 35.374 1.00 0.00 ATOM 515 C ILE A 70 35.352 12.453 34.205 1.00 0.00 ATOM 516 N VAL A 71 36.119 13.433 33.777 1.00 0.00 ATOM 517 CA VAL A 71 37.054 14.124 34.677 1.00 0.00 ATOM 518 CB VAL A 71 38.016 15.064 33.927 1.00 0.00 ATOM 519 CG1 VAL A 71 38.900 15.817 34.909 1.00 0.00 ATOM 520 CG2 VAL A 71 38.912 14.270 32.989 1.00 0.00 ATOM 521 O VAL A 71 36.835 14.983 36.912 1.00 0.00 ATOM 522 C VAL A 71 36.379 14.959 35.788 1.00 0.00 ATOM 523 N MET A 72 35.252 15.590 35.486 1.00 0.00 ATOM 524 CA MET A 72 34.540 16.349 36.490 1.00 0.00 ATOM 525 CB MET A 72 33.342 17.069 35.867 1.00 0.00 ATOM 526 CG MET A 72 33.718 18.196 34.921 1.00 0.00 ATOM 527 SD MET A 72 34.660 19.500 35.732 1.00 0.00 ATOM 528 CE MET A 72 33.413 20.197 36.811 1.00 0.00 ATOM 529 O MET A 72 33.937 15.810 38.767 1.00 0.00 ATOM 530 C MET A 72 33.954 15.465 37.572 1.00 0.00 ATOM 531 N LEU A 73 33.457 14.405 37.109 1.00 0.00 ATOM 532 CA LEU A 73 32.876 13.510 38.098 1.00 0.00 ATOM 533 CB LEU A 73 32.296 12.290 37.538 1.00 0.00 ATOM 534 CG LEU A 73 30.864 12.513 37.070 1.00 0.00 ATOM 535 CD1 LEU A 73 30.515 11.556 35.922 1.00 0.00 ATOM 536 CD2 LEU A 73 29.880 12.400 38.197 1.00 0.00 ATOM 537 O LEU A 73 33.757 13.136 40.347 1.00 0.00 ATOM 538 C LEU A 73 33.957 13.076 39.095 1.00 0.00 ATOM 539 N SER A 74 35.108 12.650 38.575 1.00 0.00 ATOM 540 CA SER A 74 36.227 12.244 39.459 1.00 0.00 ATOM 541 CB SER A 74 37.364 11.633 38.638 1.00 0.00 ATOM 542 OG SER A 74 37.955 12.598 37.785 1.00 0.00 ATOM 543 O SER A 74 37.164 13.321 41.431 1.00 0.00 ATOM 544 C SER A 74 36.804 13.444 40.238 1.00 0.00 ATOM 545 N ALA A 75 36.806 14.618 39.615 1.00 0.00 ATOM 546 CA ALA A 75 37.291 15.832 40.281 1.00 0.00 ATOM 547 CB ALA A 75 37.203 17.025 39.341 1.00 0.00 ATOM 548 O ALA A 75 36.954 16.886 42.409 1.00 0.00 ATOM 549 C ALA A 75 36.466 16.193 41.517 1.00 0.00 ATOM 550 N ARG A 76 35.198 15.750 41.568 1.00 0.00 ATOM 551 CA ARG A 76 34.309 16.027 42.695 1.00 0.00 ATOM 552 CB ARG A 76 32.981 16.573 42.182 1.00 0.00 ATOM 553 CG ARG A 76 33.081 18.024 41.700 1.00 0.00 ATOM 554 CD ARG A 76 33.018 19.061 42.833 1.00 0.00 ATOM 555 NE ARG A 76 32.012 18.678 43.818 1.00 0.00 ATOM 556 CZ ARG A 76 30.711 18.919 43.694 1.00 0.00 ATOM 557 NH1 ARG A 76 30.249 19.584 42.643 1.00 0.00 ATOM 558 NH2 ARG A 76 29.872 18.507 44.630 1.00 0.00 ATOM 559 O ARG A 76 33.269 14.798 44.502 1.00 0.00 ATOM 560 C ARG A 76 34.103 14.778 43.590 1.00 0.00 ATOM 561 N GLY A 77 34.874 13.726 43.322 1.00 0.00 ATOM 562 CA GLY A 77 35.026 12.585 44.229 1.00 0.00 ATOM 563 O GLY A 77 33.912 10.529 44.671 1.00 0.00 ATOM 564 C GLY A 77 34.055 11.472 43.889 1.00 0.00 ATOM 565 N VAL A 78 33.411 11.581 42.758 1.00 0.00 ATOM 566 CA VAL A 78 32.443 10.562 42.336 1.00 0.00 ATOM 567 CB VAL A 78 30.999 11.126 42.335 1.00 0.00 ATOM 568 CG1 VAL A 78 30.040 10.124 41.712 1.00 0.00 ATOM 569 CG2 VAL A 78 30.565 11.450 43.758 1.00 0.00 ATOM 570 O VAL A 78 32.732 10.845 39.972 1.00 0.00 ATOM 571 C VAL A 78 32.794 10.071 40.936 1.00 0.00 ATOM 572 N THR A 79 33.127 8.794 40.812 1.00 0.00 ATOM 573 CA THR A 79 33.418 8.216 39.500 1.00 0.00 ATOM 574 CB THR A 79 34.618 7.264 39.661 1.00 0.00 ATOM 575 CG2 THR A 79 34.990 6.662 38.311 1.00 0.00 ATOM 576 OG1 THR A 79 35.734 8.019 40.143 1.00 0.00 ATOM 577 O THR A 79 31.693 6.539 39.509 1.00 0.00 ATOM 578 C THR A 79 32.188 7.521 38.946 1.00 0.00 ATOM 579 N ALA A 80 31.627 7.975 37.832 1.00 0.00 ATOM 580 CA ALA A 80 30.394 7.439 37.266 1.00 0.00 ATOM 581 CB ALA A 80 29.770 8.469 36.371 1.00 0.00 ATOM 582 O ALA A 80 31.574 5.992 35.763 1.00 0.00 ATOM 583 C ALA A 80 30.549 6.189 36.403 1.00 0.00 ATOM 584 N PRO A 81 29.565 5.320 36.376 1.00 0.00 ATOM 585 CA PRO A 81 29.677 4.110 35.561 1.00 0.00 ATOM 586 CB PRO A 81 28.630 3.179 36.164 1.00 0.00 ATOM 587 CG PRO A 81 27.600 4.088 36.703 1.00 0.00 ATOM 588 CD PRO A 81 28.296 5.368 37.120 1.00 0.00 ATOM 589 O PRO A 81 29.237 5.500 33.638 1.00 0.00 ATOM 590 C PRO A 81 29.493 4.364 34.063 1.00 0.00 ATOM 591 N ILE A 82 29.361 3.157 33.377 1.00 0.00 ATOM 592 CA ILE A 82 28.960 3.197 31.979 1.00 0.00 ATOM 593 CB ILE A 82 30.118 2.751 31.066 1.00 0.00 ATOM 594 CG1 ILE A 82 31.251 3.772 31.048 1.00 0.00 ATOM 595 CG2 ILE A 82 29.577 2.418 29.687 1.00 0.00 ATOM 596 CD1 ILE A 82 32.451 3.321 30.218 1.00 0.00 ATOM 597 O ILE A 82 27.918 1.067 32.251 1.00 0.00 ATOM 598 C ILE A 82 27.832 2.221 31.758 1.00 0.00 ATOM 599 N ALA A 83 26.827 2.580 30.992 1.00 0.00 ATOM 600 CA ALA A 83 25.668 1.770 30.635 1.00 0.00 ATOM 601 CB ALA A 83 24.399 2.592 30.786 1.00 0.00 ATOM 602 O ALA A 83 26.524 1.721 28.407 1.00 0.00 ATOM 603 C ALA A 83 25.769 1.236 29.236 1.00 0.00 ATOM 604 N ALA A 84 24.841 0.271 28.871 1.00 0.00 ATOM 605 CA ALA A 84 24.716 -0.182 27.515 1.00 0.00 ATOM 606 CB ALA A 84 23.635 -1.243 27.372 1.00 0.00 ATOM 607 O ALA A 84 24.574 0.842 25.335 1.00 0.00 ATOM 608 C ALA A 84 24.321 0.941 26.550 1.00 0.00 ATOM 609 N ALA A 85 23.596 1.965 27.074 1.00 0.00 ATOM 610 CA ALA A 85 23.356 3.145 26.238 1.00 0.00 ATOM 611 CB ALA A 85 22.431 4.107 26.902 1.00 0.00 ATOM 612 O ALA A 85 24.843 4.572 24.996 1.00 0.00 ATOM 613 C ALA A 85 24.709 3.786 25.929 1.00 0.00 ATOM 614 N GLY A 86 25.684 3.413 26.758 1.00 0.00 ATOM 615 CA GLY A 86 27.024 3.948 26.581 1.00 0.00 ATOM 616 O GLY A 86 28.620 4.051 24.797 1.00 0.00 ATOM 617 C GLY A 86 27.723 3.404 25.343 1.00 0.00 ATOM 618 N TYR A 87 27.232 2.374 24.811 1.00 0.00 ATOM 619 CA TYR A 87 27.822 1.726 23.636 1.00 0.00 ATOM 620 CB TYR A 87 28.726 0.537 24.092 1.00 0.00 ATOM 621 CG TYR A 87 28.029 -0.630 24.727 1.00 0.00 ATOM 622 CD1 TYR A 87 27.237 -1.482 23.943 1.00 0.00 ATOM 623 CD2 TYR A 87 28.145 -0.900 26.072 1.00 0.00 ATOM 624 CE1 TYR A 87 26.574 -2.547 24.534 1.00 0.00 ATOM 625 CE2 TYR A 87 27.500 -1.978 26.676 1.00 0.00 ATOM 626 CZ TYR A 87 26.706 -2.784 25.864 1.00 0.00 ATOM 627 OH TYR A 87 26.045 -3.845 26.437 1.00 0.00 ATOM 628 O TYR A 87 27.360 1.019 21.481 1.00 0.00 ATOM 629 C TYR A 87 26.874 1.305 22.556 1.00 0.00 ATOM 630 N GLN A 88 25.542 1.255 22.752 1.00 0.00 ATOM 631 CA GLN A 88 24.629 0.887 21.652 1.00 0.00 ATOM 632 CB GLN A 88 24.276 -0.600 21.723 1.00 0.00 ATOM 633 CG GLN A 88 23.378 -1.080 20.593 1.00 0.00 ATOM 634 CD GLN A 88 23.083 -2.564 20.675 1.00 0.00 ATOM 635 OE1 GLN A 88 23.611 -3.266 21.535 1.00 0.00 ATOM 636 NE2 GLN A 88 22.231 -3.044 19.776 1.00 0.00 ATOM 637 O GLN A 88 22.848 1.810 22.904 1.00 0.00 ATOM 638 C GLN A 88 23.344 1.642 21.780 1.00 0.00 ATOM 639 N LEU A 89 22.833 2.134 20.660 1.00 0.00 ATOM 640 CA LEU A 89 21.623 2.921 20.587 1.00 0.00 ATOM 641 CB LEU A 89 21.943 4.358 20.204 1.00 0.00 ATOM 642 CG LEU A 89 20.743 5.307 20.150 1.00 0.00 ATOM 643 CD1 LEU A 89 20.057 5.462 21.531 1.00 0.00 ATOM 644 CD2 LEU A 89 21.187 6.705 19.576 1.00 0.00 ATOM 645 O LEU A 89 21.530 2.096 18.332 1.00 0.00 ATOM 646 C LEU A 89 20.896 2.494 19.315 1.00 0.00 ATOM 647 N PRO A 90 19.561 2.586 19.309 1.00 0.00 ATOM 648 CA PRO A 90 18.764 2.196 18.140 1.00 0.00 ATOM 649 CB PRO A 90 17.421 2.359 18.460 1.00 0.00 ATOM 650 CG PRO A 90 17.283 3.075 19.816 1.00 0.00 ATOM 651 CD PRO A 90 18.503 2.530 20.590 1.00 0.00 ATOM 652 O PRO A 90 19.105 4.186 16.836 1.00 0.00 ATOM 653 C PRO A 90 19.110 2.952 16.865 1.00 0.00 ATOM 654 N MET A 91 19.411 2.175 15.814 1.00 0.00 ATOM 655 CA MET A 91 19.728 2.767 14.523 1.00 0.00 ATOM 656 CB MET A 91 20.852 2.030 13.800 1.00 0.00 ATOM 657 CG MET A 91 20.589 0.619 13.474 1.00 0.00 ATOM 658 SD MET A 91 21.892 0.022 12.411 1.00 0.00 ATOM 659 CE MET A 91 23.055 -0.597 13.555 1.00 0.00 ATOM 660 O MET A 91 18.462 3.250 12.538 1.00 0.00 ATOM 661 C MET A 91 18.455 2.839 13.690 1.00 0.00 ATOM 662 N GLN A 92 19.869 3.575 11.071 1.00 0.00 ATOM 663 CA GLN A 92 19.197 3.788 9.774 1.00 0.00 ATOM 664 CB GLN A 92 18.321 2.585 9.421 1.00 0.00 ATOM 665 CG GLN A 92 17.672 2.673 8.049 1.00 0.00 ATOM 666 CD GLN A 92 16.914 1.411 7.684 1.00 0.00 ATOM 667 OE1 GLN A 92 16.825 0.477 8.476 1.00 0.00 ATOM 668 NE2 GLN A 92 16.365 1.384 6.474 1.00 0.00 ATOM 669 O GLN A 92 17.632 5.216 10.943 1.00 0.00 ATOM 670 C GLN A 92 18.334 5.054 9.921 1.00 0.00 ATOM 671 N VAL A 93 18.437 5.946 8.934 1.00 0.00 ATOM 672 CA VAL A 93 17.567 7.110 8.756 1.00 0.00 ATOM 673 CB VAL A 93 18.364 8.426 8.816 1.00 0.00 ATOM 674 CG1 VAL A 93 19.026 8.585 10.176 1.00 0.00 ATOM 675 CG2 VAL A 93 19.445 8.443 7.749 1.00 0.00 ATOM 676 O VAL A 93 17.344 6.298 6.495 1.00 0.00 ATOM 677 C VAL A 93 16.880 7.008 7.392 1.00 0.00 ATOM 678 N SER A 94 15.773 7.707 7.213 1.00 0.00 ATOM 679 CA SER A 94 15.051 7.638 5.926 1.00 0.00 ATOM 680 CB SER A 94 13.713 8.376 6.020 1.00 0.00 ATOM 681 OG SER A 94 13.910 9.766 6.211 1.00 0.00 ATOM 682 O SER A 94 15.777 7.837 3.655 1.00 0.00 ATOM 683 C SER A 94 15.859 8.262 4.806 1.00 0.00 ATOM 684 N SER A 95 16.663 9.251 5.157 1.00 0.00 ATOM 685 CA SER A 95 17.488 9.929 4.175 1.00 0.00 ATOM 686 CB SER A 95 16.609 10.630 3.138 1.00 0.00 ATOM 687 OG SER A 95 15.926 11.731 3.708 1.00 0.00 ATOM 688 O SER A 95 18.491 10.937 6.149 1.00 0.00 ATOM 689 C SER A 95 18.477 10.864 4.889 1.00 0.00 ATOM 690 N ALA A 96 19.238 11.628 4.102 1.00 0.00 ATOM 691 CA ALA A 96 20.256 12.482 4.629 1.00 0.00 ATOM 692 CB ALA A 96 21.107 13.059 3.538 1.00 0.00 ATOM 693 O ALA A 96 20.180 13.807 6.661 1.00 0.00 ATOM 694 C ALA A 96 19.653 13.542 5.568 1.00 0.00 ATOM 695 N ALA A 97 18.557 14.150 5.127 1.00 0.00 ATOM 696 CA ALA A 97 17.881 15.145 5.927 1.00 0.00 ATOM 697 CB ALA A 97 16.677 15.710 5.175 1.00 0.00 ATOM 698 O ALA A 97 17.503 15.163 8.299 1.00 0.00 ATOM 699 C ALA A 97 17.407 14.530 7.251 1.00 0.00 ATOM 700 N ASP A 98 16.930 13.290 7.192 1.00 0.00 ATOM 701 CA ASP A 98 16.487 12.611 8.425 1.00 0.00 ATOM 702 CB ASP A 98 15.866 11.259 8.062 1.00 0.00 ATOM 703 CG ASP A 98 15.286 10.543 9.263 1.00 0.00 ATOM 704 OD1 ASP A 98 14.348 11.087 9.885 1.00 0.00 ATOM 705 OD2 ASP A 98 15.767 9.436 9.585 1.00 0.00 ATOM 706 O ASP A 98 17.482 12.486 10.600 1.00 0.00 ATOM 707 C ASP A 98 17.645 12.373 9.384 1.00 0.00 ATOM 708 N ALA A 99 18.804 11.998 8.841 1.00 0.00 ATOM 709 CA ALA A 99 19.979 11.758 9.673 1.00 0.00 ATOM 710 CB ALA A 99 21.158 11.306 8.824 1.00 0.00 ATOM 711 O ALA A 99 20.594 13.046 11.617 1.00 0.00 ATOM 712 C ALA A 99 20.369 13.053 10.398 1.00 0.00 ATOM 713 N ALA A 100 20.405 14.181 9.668 1.00 0.00 ATOM 714 CA ALA A 100 20.744 15.476 10.254 1.00 0.00 ATOM 715 CB ALA A 100 20.908 16.524 9.163 1.00 0.00 ATOM 716 O ALA A 100 19.998 16.473 12.292 1.00 0.00 ATOM 717 C ALA A 100 19.675 15.903 11.253 1.00 0.00 ATOM 718 N ARG A 101 18.397 15.661 10.937 1.00 0.00 ATOM 719 CA ARG A 101 17.295 15.946 11.856 1.00 0.00 ATOM 720 CB ARG A 101 15.938 15.578 11.146 1.00 0.00 ATOM 721 CG ARG A 101 14.675 16.223 11.741 1.00 0.00 ATOM 722 CD ARG A 101 13.380 15.592 11.153 1.00 0.00 ATOM 723 NE ARG A 101 13.370 15.519 9.684 1.00 0.00 ATOM 724 CZ ARG A 101 13.201 16.565 8.872 1.00 0.00 ATOM 725 NH1 ARG A 101 13.017 17.783 9.379 1.00 0.00 ATOM 726 NH2 ARG A 101 13.247 16.408 7.545 1.00 0.00 ATOM 727 O ARG A 101 17.334 15.761 14.230 1.00 0.00 ATOM 728 C ARG A 101 17.532 15.191 13.152 1.00 0.00 ATOM 729 N LEU A 102 17.936 13.917 13.052 1.00 0.00 ATOM 730 CA LEU A 102 18.219 13.106 14.255 1.00 0.00 ATOM 731 CB LEU A 102 18.495 11.669 13.876 1.00 0.00 ATOM 732 CG LEU A 102 17.268 10.873 13.494 1.00 0.00 ATOM 733 CD1 LEU A 102 17.726 9.549 12.861 1.00 0.00 ATOM 734 CD2 LEU A 102 16.446 10.607 14.687 1.00 0.00 ATOM 735 O LEU A 102 19.379 13.707 16.258 1.00 0.00 ATOM 736 C LEU A 102 19.378 13.713 15.028 1.00 0.00 ATOM 737 N ALA A 103 20.382 14.218 14.305 1.00 0.00 ATOM 738 CA ALA A 103 21.508 14.873 14.984 1.00 0.00 ATOM 739 CB ALA A 103 22.549 15.296 13.952 1.00 0.00 ATOM 740 O ALA A 103 21.529 16.350 16.889 1.00 0.00 ATOM 741 C ALA A 103 21.061 16.108 15.771 1.00 0.00 ATOM 742 N VAL A 104 20.143 16.876 15.183 1.00 0.00 ATOM 743 CA VAL A 104 19.628 18.065 15.856 1.00 0.00 ATOM 744 CB VAL A 104 18.635 18.834 14.961 1.00 0.00 ATOM 745 CG1 VAL A 104 17.958 19.943 15.748 1.00 0.00 ATOM 746 CG2 VAL A 104 19.360 19.456 13.777 1.00 0.00 ATOM 747 O VAL A 104 19.028 18.233 18.178 1.00 0.00 ATOM 748 C VAL A 104 18.855 17.653 17.102 1.00 0.00 ATOM 749 N ARG A 105 18.006 16.639 16.959 1.00 0.00 ATOM 750 CA ARG A 105 17.230 16.167 18.093 1.00 0.00 ATOM 751 CB ARG A 105 16.351 14.998 17.644 1.00 0.00 ATOM 752 CG ARG A 105 15.173 15.406 16.772 1.00 0.00 ATOM 753 CD ARG A 105 14.388 14.193 16.303 1.00 0.00 ATOM 754 NE ARG A 105 13.271 14.566 15.439 1.00 0.00 ATOM 755 CZ ARG A 105 12.468 13.693 14.836 1.00 0.00 ATOM 756 NH1 ARG A 105 11.477 14.125 14.068 1.00 0.00 ATOM 757 NH2 ARG A 105 12.661 12.391 15.002 1.00 0.00 ATOM 758 O ARG A 105 17.949 15.917 20.382 1.00 0.00 ATOM 759 C ARG A 105 18.161 15.660 19.189 1.00 0.00 ATOM 760 N MET A 106 19.253 14.971 18.799 1.00 0.00 ATOM 761 CA MET A 106 20.184 14.476 19.817 1.00 0.00 ATOM 762 CB MET A 106 21.254 13.615 19.145 1.00 0.00 ATOM 763 CG MET A 106 20.750 12.270 18.649 1.00 0.00 ATOM 764 SD MET A 106 20.119 11.231 19.981 1.00 0.00 ATOM 765 CE MET A 106 21.631 10.854 20.862 1.00 0.00 ATOM 766 O MET A 106 21.072 15.567 21.767 1.00 0.00 ATOM 767 C MET A 106 20.908 15.605 20.547 1.00 0.00 ATOM 768 N GLU A 107 21.352 16.598 19.805 1.00 0.00 ATOM 769 CA GLU A 107 22.050 17.716 20.421 1.00 0.00 ATOM 770 CB GLU A 107 22.582 18.630 19.256 1.00 0.00 ATOM 771 CG GLU A 107 24.061 18.966 19.324 1.00 0.00 ATOM 772 CD GLU A 107 24.428 19.741 20.573 1.00 0.00 ATOM 773 OE1 GLU A 107 23.910 20.864 20.749 1.00 0.00 ATOM 774 OE2 GLU A 107 25.234 19.228 21.380 1.00 0.00 ATOM 775 O GLU A 107 21.529 18.841 22.461 1.00 0.00 ATOM 776 C GLU A 107 21.118 18.469 21.356 1.00 0.00 ATOM 777 N ASN A 108 19.863 18.681 21.003 1.00 0.00 ATOM 778 CA ASN A 108 18.953 19.325 21.948 1.00 0.00 ATOM 779 CB ASN A 108 17.632 19.613 21.157 1.00 0.00 ATOM 780 CG ASN A 108 16.591 20.236 22.049 1.00 0.00 ATOM 781 ND2 ASN A 108 15.582 19.511 22.405 1.00 0.00 ATOM 782 OD1 ASN A 108 16.728 21.425 22.405 1.00 0.00 ATOM 783 O ASN A 108 18.821 19.039 24.328 1.00 0.00 ATOM 784 C ASN A 108 18.797 18.509 23.235 1.00 0.00 ATOM 785 N ASP A 109 18.682 17.195 23.066 1.00 0.00 ATOM 786 CA ASP A 109 18.641 16.313 24.230 1.00 0.00 ATOM 787 CB ASP A 109 18.408 14.864 23.798 1.00 0.00 ATOM 788 CG ASP A 109 16.999 14.629 23.288 1.00 0.00 ATOM 789 OD1 ASP A 109 16.138 15.506 23.497 1.00 0.00 ATOM 790 OD2 ASP A 109 16.759 13.563 22.681 1.00 0.00 ATOM 791 O ASP A 109 19.900 16.469 26.244 1.00 0.00 ATOM 792 C ASP A 109 19.943 16.388 25.046 1.00 0.00 ATOM 793 N GLY A 110 21.096 16.355 24.381 1.00 0.00 ATOM 794 CA GLY A 110 22.383 16.506 25.070 1.00 0.00 ATOM 795 O GLY A 110 22.926 17.968 26.946 1.00 0.00 ATOM 796 C GLY A 110 22.473 17.869 25.782 1.00 0.00 ATOM 797 N ALA A 111 22.048 18.916 25.088 1.00 0.00 ATOM 798 CA ALA A 111 22.027 20.246 25.670 1.00 0.00 ATOM 799 CB ALA A 111 21.373 21.232 24.715 1.00 0.00 ATOM 800 O ALA A 111 21.768 20.743 28.022 1.00 0.00 ATOM 801 C ALA A 111 21.252 20.281 26.974 1.00 0.00 ATOM 802 N THR A 112 20.056 19.697 26.943 1.00 0.00 ATOM 803 CA THR A 112 19.227 19.620 28.145 1.00 0.00 ATOM 804 CB THR A 112 17.856 18.992 27.842 1.00 0.00 ATOM 805 CG2 THR A 112 17.026 18.883 29.113 1.00 0.00 ATOM 806 OG1 THR A 112 17.150 19.806 26.898 1.00 0.00 ATOM 807 O THR A 112 19.866 19.150 30.416 1.00 0.00 ATOM 808 C THR A 112 19.936 18.817 29.233 1.00 0.00 ATOM 809 N ALA A 113 20.638 17.756 28.842 1.00 0.00 ATOM 810 CA ALA A 113 21.366 16.934 29.793 1.00 0.00 ATOM 811 CB ALA A 113 22.057 15.807 29.043 1.00 0.00 ATOM 812 O ALA A 113 22.591 17.656 31.723 1.00 0.00 ATOM 813 C ALA A 113 22.451 17.740 30.497 1.00 0.00 ATOM 814 N TRP A 114 23.167 18.567 29.730 1.00 0.00 ATOM 815 CA TRP A 114 24.143 19.499 30.255 1.00 0.00 ATOM 816 CB TRP A 114 24.813 20.273 29.115 1.00 0.00 ATOM 817 CG TRP A 114 25.801 19.457 28.339 1.00 0.00 ATOM 818 CD1 TRP A 114 25.656 18.992 27.065 1.00 0.00 ATOM 819 CD2 TRP A 114 27.088 19.015 28.787 1.00 0.00 ATOM 820 CE2 TRP A 114 27.669 18.284 27.730 1.00 0.00 ATOM 821 CE3 TRP A 114 27.807 19.163 29.978 1.00 0.00 ATOM 822 NE1 TRP A 114 26.773 18.286 26.689 1.00 0.00 ATOM 823 CZ2 TRP A 114 28.932 17.703 27.829 1.00 0.00 ATOM 824 CZ3 TRP A 114 29.059 18.585 30.071 1.00 0.00 ATOM 825 CH2 TRP A 114 29.611 17.865 29.005 1.00 0.00 ATOM 826 O TRP A 114 24.041 20.875 32.285 1.00 0.00 ATOM 827 C TRP A 114 23.486 20.539 31.194 1.00 0.00 ATOM 828 N ARG A 115 22.321 21.036 30.803 1.00 0.00 ATOM 829 CA ARG A 115 21.592 22.023 31.633 1.00 0.00 ATOM 830 CB ARG A 115 20.220 22.299 31.050 1.00 0.00 ATOM 831 CG ARG A 115 20.266 23.098 29.755 1.00 0.00 ATOM 832 CD ARG A 115 18.867 23.438 29.255 1.00 0.00 ATOM 833 NE ARG A 115 18.911 24.130 27.971 1.00 0.00 ATOM 834 CZ ARG A 115 19.496 25.303 27.778 1.00 0.00 ATOM 835 NH1 ARG A 115 20.086 25.921 28.789 1.00 0.00 ATOM 836 NH2 ARG A 115 19.504 25.855 26.571 1.00 0.00 ATOM 837 O ARG A 115 21.315 22.084 34.014 1.00 0.00 ATOM 838 C ARG A 115 21.230 21.415 32.984 1.00 0.00 ATOM 839 N ALA A 116 20.810 20.141 32.981 1.00 0.00 ATOM 840 CA ALA A 116 20.445 19.461 34.219 1.00 0.00 ATOM 841 CB ALA A 116 19.956 18.054 33.919 1.00 0.00 ATOM 842 O ALA A 116 21.493 19.686 36.372 1.00 0.00 ATOM 843 C ALA A 116 21.631 19.418 35.178 1.00 0.00 ATOM 844 N VAL A 117 22.785 19.043 34.663 1.00 0.00 ATOM 845 CA VAL A 117 23.996 19.000 35.480 1.00 0.00 ATOM 846 CB VAL A 117 25.209 18.506 34.669 1.00 0.00 ATOM 847 CG1 VAL A 117 26.475 18.578 35.507 1.00 0.00 ATOM 848 CG2 VAL A 117 25.005 17.064 34.229 1.00 0.00 ATOM 849 O VAL A 117 24.789 20.512 37.167 1.00 0.00 ATOM 850 C VAL A 117 24.370 20.377 36.018 1.00 0.00 ATOM 851 N VAL A 118 24.238 21.384 35.187 1.00 0.00 ATOM 852 CA VAL A 118 24.561 22.743 35.602 1.00 0.00 ATOM 853 CB VAL A 118 24.416 23.744 34.463 1.00 0.00 ATOM 854 CG1 VAL A 118 24.640 25.168 34.943 1.00 0.00 ATOM 855 CG2 VAL A 118 25.425 23.388 33.375 1.00 0.00 ATOM 856 O VAL A 118 24.155 23.758 37.735 1.00 0.00 ATOM 857 C VAL A 118 23.674 23.174 36.764 1.00 0.00 ATOM 858 N GLU A 119 22.400 22.879 36.663 1.00 0.00 ATOM 859 CA GLU A 119 21.474 23.249 37.725 1.00 0.00 ATOM 860 CB GLU A 119 20.045 22.972 37.253 1.00 0.00 ATOM 861 CG GLU A 119 19.559 23.910 36.162 1.00 0.00 ATOM 862 CD GLU A 119 18.189 23.531 35.633 1.00 0.00 ATOM 863 OE1 GLU A 119 17.653 22.492 36.070 1.00 0.00 ATOM 864 OE2 GLU A 119 17.654 24.272 34.782 1.00 0.00 ATOM 865 O GLU A 119 21.669 23.018 40.102 1.00 0.00 ATOM 866 C GLU A 119 21.765 22.472 38.997 1.00 0.00 ATOM 867 N HIS A 120 22.131 21.191 38.858 1.00 0.00 ATOM 868 CA HIS A 120 22.449 20.366 40.018 1.00 0.00 ATOM 869 CB HIS A 120 22.615 18.947 39.741 1.00 0.00 ATOM 870 CG HIS A 120 21.317 18.289 39.384 1.00 0.00 ATOM 871 CD2 HIS A 120 21.042 17.039 38.942 1.00 0.00 ATOM 872 ND1 HIS A 120 20.102 18.933 39.487 1.00 0.00 ATOM 873 CE1 HIS A 120 19.134 18.107 39.128 1.00 0.00 ATOM 874 NE2 HIS A 120 19.678 16.951 38.793 1.00 0.00 ATOM 875 O HIS A 120 23.714 21.019 41.955 1.00 0.00 ATOM 876 C HIS A 120 23.682 20.929 40.728 1.00 0.00 ATOM 877 N ALA A 121 24.693 21.314 39.958 1.00 0.00 ATOM 878 CA ALA A 121 25.920 21.859 40.525 1.00 0.00 ATOM 879 CB ALA A 121 26.937 22.244 39.554 1.00 0.00 ATOM 880 O ALA A 121 25.978 23.355 42.410 1.00 0.00 ATOM 881 C ALA A 121 25.648 23.206 41.216 1.00 0.00 ATOM 882 N GLU A 122 24.923 24.123 40.558 1.00 0.00 ATOM 883 CA GLU A 122 24.601 25.400 41.196 1.00 0.00 ATOM 884 CB GLU A 122 23.733 26.251 40.213 1.00 0.00 ATOM 885 CG GLU A 122 23.302 27.572 40.768 1.00 0.00 ATOM 886 CD GLU A 122 22.347 28.294 39.840 1.00 0.00 ATOM 887 OE1 GLU A 122 21.735 27.837 38.794 1.00 0.00 ATOM 888 OE2 GLU A 122 22.145 29.440 40.252 1.00 0.00 ATOM 889 O GLU A 122 24.063 25.931 43.473 1.00 0.00 ATOM 890 C GLU A 122 23.817 25.234 42.500 1.00 0.00 ATOM 891 N THR A 123 26.976 25.671 43.127 1.00 0.00 ATOM 892 CA THR A 123 28.240 25.073 42.768 1.00 0.00 ATOM 893 CB THR A 123 28.577 23.778 43.334 1.00 0.00 ATOM 894 CG2 THR A 123 29.628 23.056 42.564 1.00 0.00 ATOM 895 OG1 THR A 123 29.081 24.040 44.644 1.00 0.00 ATOM 896 O THR A 123 28.693 25.344 40.436 1.00 0.00 ATOM 897 C THR A 123 28.776 25.829 41.554 1.00 0.00 ATOM 898 N ALA A 124 29.304 27.038 41.778 1.00 0.00 ATOM 899 CA ALA A 124 29.694 27.943 40.654 1.00 0.00 ATOM 900 CB ALA A 124 30.163 29.286 41.192 1.00 0.00 ATOM 901 O ALA A 124 30.893 27.615 38.602 1.00 0.00 ATOM 902 C ALA A 124 30.814 27.344 39.804 1.00 0.00 ATOM 903 N ASP A 125 31.603 26.493 40.424 1.00 0.00 ATOM 904 CA ASP A 125 32.680 25.830 39.684 1.00 0.00 ATOM 905 CB ASP A 125 33.522 24.977 40.634 1.00 0.00 ATOM 906 CG ASP A 125 34.401 25.813 41.546 1.00 0.00 ATOM 907 OD1 ASP A 125 34.537 27.027 41.288 1.00 0.00 ATOM 908 OD2 ASP A 125 34.952 25.252 42.516 1.00 0.00 ATOM 909 O ASP A 125 32.590 25.018 37.432 1.00 0.00 ATOM 910 C ASP A 125 32.157 24.917 38.582 1.00 0.00 ATOM 911 N ASP A 126 31.204 24.046 38.914 1.00 0.00 ATOM 912 CA ASP A 126 30.650 23.129 37.927 1.00 0.00 ATOM 913 CB ASP A 126 29.751 22.130 38.654 1.00 0.00 ATOM 914 CG ASP A 126 30.609 21.216 39.514 1.00 0.00 ATOM 915 OD1 ASP A 126 31.832 21.315 39.411 1.00 0.00 ATOM 916 OD2 ASP A 126 30.055 20.427 40.272 1.00 0.00 ATOM 917 O ASP A 126 29.822 23.494 35.693 1.00 0.00 ATOM 918 C ASP A 126 29.828 23.875 36.866 1.00 0.00 ATOM 919 N ARG A 127 29.107 24.908 37.283 1.00 0.00 ATOM 920 CA ARG A 127 28.369 25.764 36.353 1.00 0.00 ATOM 921 CB ARG A 127 27.670 26.905 37.077 1.00 0.00 ATOM 922 CG ARG A 127 27.035 27.954 36.132 1.00 0.00 ATOM 923 CD ARG A 127 26.254 29.006 36.919 1.00 0.00 ATOM 924 NE ARG A 127 27.064 29.620 37.971 1.00 0.00 ATOM 925 CZ ARG A 127 28.016 30.528 37.758 1.00 0.00 ATOM 926 NH1 ARG A 127 28.288 30.943 36.527 1.00 0.00 ATOM 927 NH2 ARG A 127 28.708 31.016 38.781 1.00 0.00 ATOM 928 O ARG A 127 29.051 26.353 34.134 1.00 0.00 ATOM 929 C ARG A 127 29.295 26.417 35.355 1.00 0.00 ATOM 930 N VAL A 128 30.411 27.064 35.829 1.00 0.00 ATOM 931 CA VAL A 128 31.415 27.665 34.893 1.00 0.00 ATOM 932 CB VAL A 128 32.540 28.310 35.723 1.00 0.00 ATOM 933 CG1 VAL A 128 33.665 28.784 34.817 1.00 0.00 ATOM 934 CG2 VAL A 128 32.010 29.507 36.498 1.00 0.00 ATOM 935 O VAL A 128 32.100 26.826 32.736 1.00 0.00 ATOM 936 C VAL A 128 32.018 26.612 33.954 1.00 0.00 ATOM 937 N PHE A 129 32.394 25.417 34.508 1.00 0.00 ATOM 938 CA PHE A 129 32.915 24.369 33.640 1.00 0.00 ATOM 939 CB PHE A 129 33.095 23.058 34.410 1.00 0.00 ATOM 940 CG PHE A 129 33.531 21.905 33.551 1.00 0.00 ATOM 941 CD1 PHE A 129 34.862 21.747 33.206 1.00 0.00 ATOM 942 CD2 PHE A 129 32.610 20.981 33.089 1.00 0.00 ATOM 943 CE1 PHE A 129 35.262 20.686 32.415 1.00 0.00 ATOM 944 CE2 PHE A 129 33.013 19.921 32.299 1.00 0.00 ATOM 945 CZ PHE A 129 34.332 19.770 31.962 1.00 0.00 ATOM 946 O PHE A 129 32.351 23.907 31.341 1.00 0.00 ATOM 947 C PHE A 129 31.956 23.965 32.513 1.00 0.00 ATOM 948 N ALA A 130 30.695 23.680 32.857 1.00 0.00 ATOM 949 CA ALA A 130 29.701 23.261 31.869 1.00 0.00 ATOM 950 CB ALA A 130 28.351 22.882 32.464 1.00 0.00 ATOM 951 O ALA A 130 28.820 24.118 29.803 1.00 0.00 ATOM 952 C ALA A 130 29.428 24.360 30.848 1.00 0.00 ATOM 953 N SER A 131 29.803 25.591 31.164 1.00 0.00 ATOM 954 CA SER A 131 29.542 26.700 30.266 1.00 0.00 ATOM 955 CB SER A 131 30.108 28.000 30.841 1.00 0.00 ATOM 956 OG SER A 131 29.435 28.368 32.031 1.00 0.00 ATOM 957 O SER A 131 29.586 26.791 27.897 1.00 0.00 ATOM 958 C SER A 131 30.183 26.468 28.927 1.00 0.00 ATOM 959 N THR A 132 31.388 25.894 28.925 1.00 0.00 ATOM 960 CA THR A 132 32.078 25.605 27.680 1.00 0.00 ATOM 961 CB THR A 132 33.480 25.022 27.932 1.00 0.00 ATOM 962 CG2 THR A 132 34.161 24.678 26.617 1.00 0.00 ATOM 963 OG1 THR A 132 34.282 25.983 28.633 1.00 0.00 ATOM 964 O THR A 132 31.103 24.802 25.658 1.00 0.00 ATOM 965 C THR A 132 31.283 24.606 26.860 1.00 0.00 ATOM 966 N ALA A 133 30.769 23.574 27.497 1.00 0.00 ATOM 967 CA ALA A 133 30.034 22.517 26.799 1.00 0.00 ATOM 968 CB ALA A 133 29.791 21.329 27.708 1.00 0.00 ATOM 969 O ALA A 133 28.394 22.727 25.047 1.00 0.00 ATOM 970 C ALA A 133 28.703 23.010 26.204 1.00 0.00 ATOM 971 N LEU A 134 27.929 23.744 26.989 1.00 0.00 ATOM 972 CA LEU A 134 26.637 24.266 26.502 1.00 0.00 ATOM 973 CB LEU A 134 25.879 24.958 27.634 1.00 0.00 ATOM 974 CG LEU A 134 25.346 24.054 28.748 1.00 0.00 ATOM 975 CD1 LEU A 134 24.775 24.882 29.889 1.00 0.00 ATOM 976 CD2 LEU A 134 24.244 23.146 28.221 1.00 0.00 ATOM 977 O LEU A 134 26.071 25.209 24.398 1.00 0.00 ATOM 978 C LEU A 134 26.832 25.219 25.352 1.00 0.00 ATOM 979 N THR A 135 27.815 26.077 25.514 1.00 0.00 ATOM 980 CA THR A 135 28.126 27.072 24.504 1.00 0.00 ATOM 981 CB THR A 135 29.257 28.035 24.915 1.00 0.00 ATOM 982 CG2 THR A 135 29.551 29.021 23.795 1.00 0.00 ATOM 983 OG1 THR A 135 28.864 28.765 26.084 1.00 0.00 ATOM 984 O THR A 135 28.033 26.705 22.144 1.00 0.00 ATOM 985 C THR A 135 28.543 26.374 23.209 1.00 0.00 ATOM 986 N GLU A 136 29.375 25.336 23.316 1.00 0.00 ATOM 987 CA GLU A 136 29.706 24.528 22.130 1.00 0.00 ATOM 988 CB GLU A 136 30.769 23.484 22.473 1.00 0.00 ATOM 989 CG GLU A 136 32.145 24.067 22.752 1.00 0.00 ATOM 990 CD GLU A 136 33.149 23.013 23.175 1.00 0.00 ATOM 991 OE1 GLU A 136 32.754 21.838 23.313 1.00 0.00 ATOM 992 OE2 GLU A 136 34.332 23.366 23.372 1.00 0.00 ATOM 993 O GLU A 136 28.263 23.623 20.375 1.00 0.00 ATOM 994 C GLU A 136 28.442 23.793 21.591 1.00 0.00 ATOM 995 N SER A 137 27.568 23.364 22.491 1.00 0.00 ATOM 996 CA SER A 137 26.353 22.658 22.077 1.00 0.00 ATOM 997 CB SER A 137 25.593 22.135 23.297 1.00 0.00 ATOM 998 OG SER A 137 26.340 21.140 23.974 1.00 0.00 ATOM 999 O SER A 137 24.889 23.144 20.250 1.00 0.00 ATOM 1000 C SER A 137 25.454 23.576 21.252 1.00 0.00 ATOM 1001 N ALA A 138 25.350 24.836 21.663 1.00 0.00 ATOM 1002 CA ALA A 138 24.526 25.805 20.943 1.00 0.00 ATOM 1003 CB ALA A 138 24.750 27.195 21.520 1.00 0.00 ATOM 1004 O ALA A 138 24.161 25.818 18.561 1.00 0.00 ATOM 1005 C ALA A 138 24.983 25.839 19.483 1.00 0.00 ATOM 1006 N VAL A 139 26.313 25.839 19.276 1.00 0.00 ATOM 1007 CA VAL A 139 26.852 25.885 17.920 1.00 0.00 ATOM 1008 CB VAL A 139 28.369 26.152 17.945 1.00 0.00 ATOM 1009 CG1 VAL A 139 28.963 25.986 16.555 1.00 0.00 ATOM 1010 CG2 VAL A 139 28.653 27.567 18.423 1.00 0.00 ATOM 1011 O VAL A 139 26.355 24.542 15.996 1.00 0.00 ATOM 1012 C VAL A 139 26.639 24.552 17.192 1.00 0.00 ATOM 1013 N MET A 140 26.826 23.442 17.898 1.00 0.00 ATOM 1014 CA MET A 140 26.652 22.108 17.320 1.00 0.00 ATOM 1015 CB MET A 140 26.796 21.066 18.358 1.00 0.00 ATOM 1016 CG MET A 140 26.676 19.628 17.886 1.00 0.00 ATOM 1017 SD MET A 140 27.922 19.190 16.648 1.00 0.00 ATOM 1018 CE MET A 140 29.446 19.521 17.530 1.00 0.00 ATOM 1019 O MET A 140 24.984 21.626 15.651 1.00 0.00 ATOM 1020 C MET A 140 25.231 21.979 16.806 1.00 0.00 ATOM 1021 N ALA A 141 24.269 22.372 17.666 1.00 0.00 ATOM 1022 CA ALA A 141 22.848 22.285 17.311 1.00 0.00 ATOM 1023 CB ALA A 141 21.980 22.759 18.467 1.00 0.00 ATOM 1024 O ALA A 141 21.794 22.738 15.201 1.00 0.00 ATOM 1025 C ALA A 141 22.518 23.157 16.111 1.00 0.00 ATOM 1026 N THR A 142 23.052 24.397 16.102 1.00 0.00 ATOM 1027 CA THR A 142 22.802 25.333 15.009 1.00 0.00 ATOM 1028 CB THR A 142 23.600 26.640 15.181 1.00 0.00 ATOM 1029 CG2 THR A 142 23.242 27.626 14.099 1.00 0.00 ATOM 1030 OG1 THR A 142 23.289 27.219 16.452 1.00 0.00 ATOM 1031 O THR A 142 22.632 24.966 12.637 1.00 0.00 ATOM 1032 C THR A 142 23.310 24.794 13.662 1.00 0.00 ATOM 1033 N ARG A 143 24.492 24.171 13.652 1.00 0.00 ATOM 1034 CA ARG A 143 25.037 23.621 12.432 1.00 0.00 ATOM 1035 CB ARG A 143 26.399 22.977 12.697 1.00 0.00 ATOM 1036 CG ARG A 143 27.508 23.970 12.999 1.00 0.00 ATOM 1037 CD ARG A 143 28.813 23.260 13.324 1.00 0.00 ATOM 1038 NE ARG A 143 29.883 24.199 13.646 1.00 0.00 ATOM 1039 CZ ARG A 143 31.101 23.840 14.035 1.00 0.00 ATOM 1040 NH1 ARG A 143 32.010 24.767 14.305 1.00 0.00 ATOM 1041 NH2 ARG A 143 31.408 22.556 14.153 1.00 0.00 ATOM 1042 O ARG A 143 23.877 22.588 10.601 1.00 0.00 ATOM 1043 C ARG A 143 24.121 22.571 11.821 1.00 0.00 ATOM 1044 N TRP A 144 23.561 21.684 12.654 1.00 0.00 ATOM 1045 CA TRP A 144 22.670 20.667 12.140 1.00 0.00 ATOM 1046 CB TRP A 144 22.313 19.614 13.119 1.00 0.00 ATOM 1047 CG TRP A 144 23.544 18.827 13.602 1.00 0.00 ATOM 1048 CD1 TRP A 144 24.166 18.956 14.800 1.00 0.00 ATOM 1049 CD2 TRP A 144 24.327 17.872 12.850 1.00 0.00 ATOM 1050 CE2 TRP A 144 25.394 17.473 13.678 1.00 0.00 ATOM 1051 CE3 TRP A 144 24.222 17.309 11.569 1.00 0.00 ATOM 1052 NE1 TRP A 144 25.259 18.159 14.861 1.00 0.00 ATOM 1053 CZ2 TRP A 144 26.363 16.541 13.281 1.00 0.00 ATOM 1054 CZ3 TRP A 144 25.199 16.364 11.167 1.00 0.00 ATOM 1055 CH2 TRP A 144 26.255 15.995 12.015 1.00 0.00 ATOM 1056 O TRP A 144 20.890 20.937 10.554 1.00 0.00 ATOM 1057 C TRP A 144 21.386 21.301 11.621 1.00 0.00 ATOM 1058 N ASN A 145 20.809 22.272 12.392 1.00 0.00 ATOM 1059 CA ASN A 145 19.578 22.943 12.000 1.00 0.00 ATOM 1060 CB ASN A 145 19.220 24.032 13.012 1.00 0.00 ATOM 1061 CG ASN A 145 17.870 24.665 12.732 1.00 0.00 ATOM 1062 ND2 ASN A 145 17.875 25.959 12.432 1.00 0.00 ATOM 1063 OD1 ASN A 145 16.837 23.997 12.787 1.00 0.00 ATOM 1064 O ASN A 145 18.810 23.544 9.827 1.00 0.00 ATOM 1065 C ASN A 145 19.730 23.586 10.635 1.00 0.00 ATOM 1066 N ARG A 146 20.904 24.162 10.391 1.00 0.00 ATOM 1067 CA ARG A 146 21.167 24.772 9.094 1.00 0.00 ATOM 1068 CB ARG A 146 22.477 25.529 9.226 1.00 0.00 ATOM 1069 CG ARG A 146 22.955 26.141 7.939 1.00 0.00 ATOM 1070 CD ARG A 146 24.369 26.678 8.121 1.00 0.00 ATOM 1071 NE ARG A 146 25.369 25.604 8.014 1.00 0.00 ATOM 1072 CZ ARG A 146 26.188 25.362 9.005 1.00 0.00 ATOM 1073 NH1 ARG A 146 26.136 26.142 10.132 1.00 0.00 ATOM 1074 NH2 ARG A 146 27.083 24.362 8.847 1.00 0.00 ATOM 1075 O ARG A 146 20.461 23.993 6.943 1.00 0.00 ATOM 1076 C ARG A 146 21.089 23.750 7.973 1.00 0.00 ATOM 1077 N VAL A 147 21.734 22.592 8.171 1.00 0.00 ATOM 1078 CA VAL A 147 21.724 21.545 7.161 1.00 0.00 ATOM 1079 CB VAL A 147 22.752 20.445 7.570 1.00 0.00 ATOM 1080 CG1 VAL A 147 22.763 19.381 6.474 1.00 0.00 ATOM 1081 CG2 VAL A 147 24.158 20.976 7.806 1.00 0.00 ATOM 1082 O VAL A 147 19.878 20.835 5.801 1.00 0.00 ATOM 1083 C VAL A 147 20.294 21.050 6.933 1.00 0.00 ATOM 1084 N LEU A 148 19.535 20.893 8.012 1.00 0.00 ATOM 1085 CA LEU A 148 18.149 20.424 7.916 1.00 0.00 ATOM 1086 CB LEU A 148 17.519 20.318 9.305 1.00 0.00 ATOM 1087 CG LEU A 148 16.070 19.830 9.359 1.00 0.00 ATOM 1088 CD1 LEU A 148 15.955 18.423 8.788 1.00 0.00 ATOM 1089 CD2 LEU A 148 15.563 19.804 10.792 1.00 0.00 ATOM 1090 O LEU A 148 16.593 20.895 6.154 1.00 0.00 ATOM 1091 C LEU A 148 17.301 21.346 7.076 1.00 0.00 ATOM 1092 N GLY A 149 17.425 22.711 7.320 1.00 0.00 ATOM 1093 CA GLY A 149 16.736 23.695 6.525 1.00 0.00 ATOM 1094 O GLY A 149 16.260 23.871 4.196 1.00 0.00 ATOM 1095 C GLY A 149 17.107 23.663 5.060 1.00 0.00 ATOM 1096 N ALA A 150 18.389 23.378 4.760 1.00 0.00 ATOM 1097 CA ALA A 150 18.844 23.257 3.387 1.00 0.00 ATOM 1098 CB ALA A 150 20.346 23.026 3.350 1.00 0.00 ATOM 1099 O ALA A 150 17.695 22.178 1.566 1.00 0.00 ATOM 1100 C ALA A 150 18.139 22.077 2.712 1.00 0.00 ATOM 1101 N TRP A 151 18.024 20.964 3.429 1.00 0.00 ATOM 1102 CA TRP A 151 17.344 19.793 2.886 1.00 0.00 ATOM 1103 CB TRP A 151 17.275 18.680 3.933 1.00 0.00 ATOM 1104 CG TRP A 151 18.606 18.062 4.242 1.00 0.00 ATOM 1105 CD1 TRP A 151 19.390 18.304 5.332 1.00 0.00 ATOM 1106 CD2 TRP A 151 19.308 17.097 3.448 1.00 0.00 ATOM 1107 CE2 TRP A 151 20.510 16.802 4.121 1.00 0.00 ATOM 1108 CE3 TRP A 151 19.039 16.454 2.236 1.00 0.00 ATOM 1109 NE1 TRP A 151 20.536 17.552 5.268 1.00 0.00 ATOM 1110 CZ2 TRP A 151 21.441 15.894 3.619 1.00 0.00 ATOM 1111 CZ3 TRP A 151 19.964 15.554 1.745 1.00 0.00 ATOM 1112 CH2 TRP A 151 21.151 15.278 2.433 1.00 0.00 ATOM 1113 O TRP A 151 15.414 19.723 1.469 1.00 0.00 ATOM 1114 C TRP A 151 15.904 20.133 2.520 1.00 0.00 ATOM 1115 N PRO A 152 15.724 20.134 0.580 1.00 0.00 ATOM 1116 CA PRO A 152 15.412 19.016 -0.294 1.00 0.00 ATOM 1117 CB PRO A 152 15.759 19.487 -1.596 1.00 0.00 ATOM 1118 CG PRO A 152 16.396 20.831 -1.529 1.00 0.00 ATOM 1119 CD PRO A 152 15.717 21.496 -0.339 1.00 0.00 ATOM 1120 O PRO A 152 17.524 17.924 -0.124 1.00 0.00 ATOM 1121 C PRO A 152 16.301 17.789 -0.265 1.00 0.00 ATOM 1122 N ILE A 153 15.768 16.661 -0.170 1.00 0.00 ATOM 1123 CA ILE A 153 16.537 15.440 0.051 1.00 0.00 ATOM 1124 CB ILE A 153 15.484 14.260 0.362 1.00 0.00 ATOM 1125 CG1 ILE A 153 14.677 14.564 1.628 1.00 0.00 ATOM 1126 CG2 ILE A 153 16.218 12.927 0.501 1.00 0.00 ATOM 1127 CD1 ILE A 153 13.544 13.592 1.880 1.00 0.00 ATOM 1128 O ILE A 153 18.513 14.391 -0.764 1.00 0.00 ATOM 1129 C ILE A 153 17.524 15.074 -1.051 1.00 0.00 ATOM 1130 N THR A 154 17.319 15.379 -2.392 1.00 0.00 ATOM 1131 CA THR A 154 18.199 14.932 -3.497 1.00 0.00 ATOM 1132 CB THR A 154 17.516 14.968 -4.848 1.00 0.00 ATOM 1133 CG2 THR A 154 18.286 14.262 -5.955 1.00 0.00 ATOM 1134 OG1 THR A 154 16.274 14.302 -4.508 1.00 0.00 ATOM 1135 O THR A 154 20.543 15.299 -3.870 1.00 0.00 ATOM 1136 C THR A 154 19.415 15.801 -3.812 1.00 0.00 ATOM 1137 N ALA A 155 19.227 17.083 -4.017 1.00 0.00 ATOM 1138 CA ALA A 155 20.323 18.009 -4.294 1.00 0.00 ATOM 1139 CB ALA A 155 19.795 19.401 -4.573 1.00 0.00 ATOM 1140 O ALA A 155 22.509 17.915 -3.385 1.00 0.00 ATOM 1141 C ALA A 155 21.312 18.025 -3.156 1.00 0.00 ATOM 1142 N ALA A 156 20.818 18.116 -1.925 1.00 0.00 ATOM 1143 CA ALA A 156 21.717 18.146 -0.773 1.00 0.00 ATOM 1144 CB ALA A 156 20.955 18.467 0.513 1.00 0.00 ATOM 1145 O ALA A 156 23.653 16.791 -0.264 1.00 0.00 ATOM 1146 C ALA A 156 22.474 16.815 -0.634 1.00 0.00 ATOM 1147 N PHE A 157 21.779 15.713 -0.949 1.00 0.00 ATOM 1148 CA PHE A 157 22.401 14.388 -0.890 1.00 0.00 ATOM 1149 CB PHE A 157 21.406 13.315 -1.338 1.00 0.00 ATOM 1150 CG PHE A 157 21.968 11.921 -1.314 1.00 0.00 ATOM 1151 CD1 PHE A 157 22.067 11.218 -0.128 1.00 0.00 ATOM 1152 CD2 PHE A 157 22.396 11.315 -2.483 1.00 0.00 ATOM 1153 CE1 PHE A 157 22.583 9.936 -0.107 1.00 0.00 ATOM 1154 CE2 PHE A 157 22.913 10.034 -2.463 1.00 0.00 ATOM 1155 CZ PHE A 157 23.007 9.344 -1.284 1.00 0.00 ATOM 1156 O PHE A 157 24.696 13.910 -1.365 1.00 0.00 ATOM 1157 C PHE A 157 23.631 14.329 -1.781 1.00 0.00 ATOM 1158 N PRO A 158 23.484 14.714 -3.050 1.00 0.00 ATOM 1159 CA PRO A 158 24.609 14.696 -3.974 1.00 0.00 ATOM 1160 CB PRO A 158 24.204 15.272 -5.227 1.00 0.00 ATOM 1161 CG PRO A 158 22.780 14.755 -5.358 1.00 0.00 ATOM 1162 CD PRO A 158 22.229 14.947 -3.940 1.00 0.00 ATOM 1163 O PRO A 158 26.924 15.084 -3.419 1.00 0.00 ATOM 1164 C PRO A 158 25.771 15.518 -3.405 1.00 0.00 ATOM 1165 N GLY A 159 25.394 16.782 -2.906 1.00 0.00 ATOM 1166 CA GLY A 159 26.403 17.676 -2.351 1.00 0.00 ATOM 1167 O GLY A 159 28.072 17.721 -0.638 1.00 0.00 ATOM 1168 C GLY A 159 27.082 17.152 -1.090 1.00 0.00 ATOM 1169 N GLY A 160 26.581 16.072 -0.524 1.00 0.00 ATOM 1170 CA GLY A 160 27.155 15.506 0.690 1.00 0.00 ATOM 1171 O GLY A 160 28.592 13.803 1.346 1.00 0.00 ATOM 1172 C GLY A 160 28.080 14.393 0.431 1.00 0.00 ATOM 1173 N ASP A 161 28.361 14.048 -0.892 1.00 0.00 ATOM 1174 CA ASP A 161 29.113 12.834 -1.189 1.00 0.00 ATOM 1175 CB ASP A 161 29.036 12.560 -2.691 1.00 0.00 ATOM 1176 CG ASP A 161 27.710 11.956 -3.106 1.00 0.00 ATOM 1177 OD1 ASP A 161 26.949 11.524 -2.216 1.00 0.00 ATOM 1178 OD2 ASP A 161 27.430 11.916 -4.323 1.00 0.00 ATOM 1179 O ASP A 161 31.186 12.121 -0.226 1.00 0.00 ATOM 1180 C ASP A 161 30.591 12.993 -0.870 1.00 0.00 ATOM 1181 N GLU A 162 31.180 14.104 -1.297 1.00 0.00 ATOM 1182 CA GLU A 162 32.606 14.338 -1.077 1.00 0.00 ATOM 1183 CB GLU A 162 33.302 14.672 -2.399 1.00 0.00 ATOM 1184 CG GLU A 162 33.388 13.505 -3.367 1.00 0.00 ATOM 1185 CD GLU A 162 33.855 13.925 -4.748 1.00 0.00 ATOM 1186 OE1 GLU A 162 34.070 15.137 -4.957 1.00 0.00 ATOM 1187 OE2 GLU A 162 34.005 13.043 -5.618 1.00 0.00 ATOM 1188 O GLU A 162 33.809 15.315 0.737 1.00 0.00 ATOM 1189 C GLU A 162 32.909 15.486 -0.123 1.00 0.00 ENDMDL EXPDTA 2ib0A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2ib0A ATOM 1 N SER 17 20.062 14.439 48.641 1.00 0.00 ATOM 2 CA SER 17 21.392 15.089 48.929 1.00 0.00 ATOM 3 CB SER 17 22.410 14.043 49.413 1.00 0.00 ATOM 4 OG SER 17 23.668 14.228 48.791 1.00 0.00 ATOM 5 O SER 17 21.594 15.560 46.568 1.00 0.00 ATOM 6 C SER 17 21.933 15.864 47.713 1.00 0.00 ATOM 7 N GLU 18 22.775 16.860 47.960 1.00 0.00 ATOM 8 CA GLU 18 23.225 17.783 46.907 1.00 0.00 ATOM 9 CB GLU 18 23.831 19.065 47.540 1.00 0.00 ATOM 10 CG GLU 18 22.884 19.863 48.437 1.00 0.00 ATOM 11 CD GLU 18 21.706 20.424 47.665 1.00 0.00 ATOM 12 OE1 GLU 18 21.717 20.399 46.411 1.00 0.00 ATOM 13 OE2 GLU 18 20.740 20.883 48.290 1.00 0.00 ATOM 14 O GLU 18 24.219 17.448 44.731 1.00 0.00 ATOM 15 C GLU 18 24.239 17.170 45.940 1.00 0.00 ATOM 16 N GLY 19 25.158 16.393 46.516 1.00 0.00 ATOM 17 CA GLY 19 26.269 15.798 45.804 1.00 0.00 ATOM 18 O GLY 19 26.184 14.226 44.027 1.00 0.00 ATOM 19 C GLY 19 25.727 14.591 45.104 1.00 0.00 ATOM 20 N SER 20 24.736 13.984 45.745 1.00 0.00 ATOM 21 CA SER 20 23.868 12.969 45.146 1.00 0.00 ATOM 22 CB SER 20 22.804 12.557 46.155 1.00 0.00 ATOM 23 OG SER 20 22.242 11.310 45.808 1.00 0.00 ATOM 24 O SER 20 23.314 12.704 42.836 1.00 0.00 ATOM 25 C SER 20 23.217 13.420 43.827 1.00 0.00 ATOM 26 N ALA 21 22.596 14.611 43.806 1.00 0.00 ATOM 27 CA ALA 21 21.980 15.148 42.583 1.00 0.00 ATOM 28 CB ALA 21 21.083 16.364 42.906 1.00 0.00 ATOM 29 O ALA 21 22.827 15.326 40.324 1.00 0.00 ATOM 30 C ALA 21 23.039 15.531 41.521 1.00 0.00 ATOM 31 N ASP 22 24.173 16.076 41.986 1.00 0.00 ATOM 32 CA ASP 22 25.330 16.421 41.144 1.00 0.00 ATOM 33 CB ASP 22 26.436 17.055 42.028 1.00 0.00 ATOM 34 CG ASP 22 27.503 17.797 41.233 1.00 0.00 ATOM 35 OD1 ASP 22 27.531 17.714 39.963 1.00 0.00 ATOM 36 OD2 ASP 22 28.317 18.515 41.899 1.00 0.00 ATOM 37 O ASP 22 25.910 15.177 39.153 1.00 0.00 ATOM 38 C ASP 22 25.840 15.172 40.390 1.00 0.00 ATOM 39 N ASN 23 26.166 14.104 41.125 1.00 0.00 ATOM 40 CA ASN 23 26.579 12.826 40.518 1.00 0.00 ATOM 41 CB ASN 23 26.910 11.788 41.611 1.00 0.00 ATOM 42 CG ASN 23 28.144 12.171 42.414 1.00 0.00 ATOM 43 ND2 ASN 23 28.426 11.421 43.471 1.00 0.00 ATOM 44 OD1 ASN 23 28.832 13.143 42.086 1.00 0.00 ATOM 45 O ASN 23 25.902 11.726 38.479 1.00 0.00 ATOM 46 C ASN 23 25.557 12.241 39.562 1.00 0.00 ATOM 47 N ALA 24 24.293 12.290 39.981 1.00 0.00 ATOM 48 CA ALA 24 23.230 11.778 39.159 1.00 0.00 ATOM 49 CB ALA 24 21.901 11.784 39.895 1.00 0.00 ATOM 50 O ALA 24 22.961 11.928 36.829 1.00 0.00 ATOM 51 C ALA 24 23.133 12.548 37.879 1.00 0.00 ATOM 52 N ALA 25 23.253 13.890 37.937 1.00 0.00 ATOM 53 CA ALA 25 23.159 14.658 36.723 1.00 0.00 ATOM 54 CB ALA 25 23.084 16.202 37.029 1.00 0.00 ATOM 55 O ALA 25 24.160 14.323 34.596 1.00 0.00 ATOM 56 C ALA 25 24.327 14.340 35.786 1.00 0.00 ATOM 57 N LEU 26 25.534 14.183 36.316 1.00 0.00 ATOM 58 CA LEU 26 26.683 14.047 35.435 1.00 0.00 ATOM 59 CB LEU 26 27.971 14.413 36.192 1.00 0.00 ATOM 60 CG LEU 26 29.293 14.400 35.407 1.00 0.00 ATOM 61 CD1 LEU 26 29.349 15.435 34.318 1.00 0.00 ATOM 62 CD2 LEU 26 30.532 14.458 36.309 1.00 0.00 ATOM 63 O LEU 26 27.231 12.474 33.674 1.00 0.00 ATOM 64 C LEU 26 26.760 12.636 34.828 1.00 0.00 ATOM 65 N CYS 27 26.324 11.630 35.609 1.00 0.00 ATOM 66 CA CYS 27 26.133 10.281 35.094 1.00 0.00 ATOM 67 CB CYS 27 25.765 9.261 36.208 1.00 0.00 ATOM 68 SG CYS 27 27.158 8.874 37.316 1.00 0.00 ATOM 69 O CYS 27 25.358 9.658 32.949 1.00 0.00 ATOM 70 C CYS 27 25.108 10.257 33.971 1.00 0.00 ATOM 71 N ASP 28 23.963 10.925 34.142 1.00 0.00 ATOM 72 CA ASP 28 22.973 11.018 33.044 1.00 0.00 ATOM 73 CB ASP 28 21.785 11.886 33.417 1.00 0.00 ATOM 74 CG ASP 28 20.885 11.249 34.439 1.00 0.00 ATOM 75 OD1 ASP 28 20.882 10.009 34.565 1.00 0.00 ATOM 76 OD2 ASP 28 20.196 12.020 35.145 1.00 0.00 ATOM 77 O ASP 28 23.272 11.223 30.690 1.00 0.00 ATOM 78 C ASP 28 23.578 11.647 31.792 1.00 0.00 ATOM 79 N ALA 29 24.463 12.615 31.970 1.00 0.00 ATOM 80 CA ALA 29 24.932 13.410 30.845 1.00 0.00 ATOM 81 CB ALA 29 25.580 14.690 31.336 1.00 0.00 ATOM 82 O ALA 29 25.971 12.580 28.890 1.00 0.00 ATOM 83 C ALA 29 25.933 12.564 30.108 1.00 0.00 ATOM 84 N LEU 30 26.708 11.788 30.869 1.00 0.00 ATOM 85 CA LEU 30 27.665 10.835 30.293 1.00 0.00 ATOM 86 CB LEU 30 28.519 10.168 31.381 1.00 0.00 ATOM 87 CG LEU 30 29.432 9.081 30.823 1.00 0.00 ATOM 88 CD1 LEU 30 30.284 9.598 29.670 1.00 0.00 ATOM 89 CD2 LEU 30 30.299 8.372 31.940 1.00 0.00 ATOM 90 O LEU 30 27.456 9.372 28.385 1.00 0.00 ATOM 91 C LEU 30 26.966 9.751 29.455 1.00 0.00 ATOM 92 N ALA 31 25.851 9.246 29.985 1.00 0.00 ATOM 93 CA ALA 31 24.990 8.267 29.312 1.00 0.00 ATOM 94 CB ALA 31 23.885 7.774 30.252 1.00 0.00 ATOM 95 O ALA 31 24.304 8.179 27.044 1.00 0.00 ATOM 96 C ALA 31 24.408 8.850 28.040 1.00 0.00 ATOM 97 N VAL 32 24.051 10.120 28.056 1.00 0.00 ATOM 98 CA VAL 32 23.584 10.775 26.841 1.00 0.00 ATOM 99 CB VAL 32 22.941 12.145 27.156 1.00 0.00 ATOM 100 CG1 VAL 32 22.737 12.970 25.854 1.00 0.00 ATOM 101 CG2 VAL 32 21.600 11.942 27.908 1.00 0.00 ATOM 102 O VAL 32 24.501 10.614 24.597 1.00 0.00 ATOM 103 C VAL 32 24.722 10.886 25.790 1.00 0.00 ATOM 104 N GLU 33 25.917 11.276 26.239 1.00 0.00 ATOM 105 CA GLU 33 27.129 11.296 25.395 1.00 0.00 ATOM 106 CB GLU 33 28.366 11.755 26.204 1.00 0.00 ATOM 107 CG GLU 33 28.370 13.271 26.589 1.00 0.00 ATOM 108 CD GLU 33 28.165 14.227 25.395 1.00 0.00 ATOM 109 OE1 GLU 33 28.749 14.017 24.306 1.00 0.00 ATOM 110 OE2 GLU 33 27.437 15.224 25.546 1.00 0.00 ATOM 111 O GLU 33 27.699 9.940 23.513 1.00 0.00 ATOM 112 C GLU 33 27.449 9.958 24.712 1.00 0.00 ATOM 113 N HIS 34 27.477 8.850 25.454 1.00 0.00 ATOM 114 CA HIS 34 27.666 7.541 24.826 1.00 0.00 ATOM 115 CB HIS 34 27.576 6.427 25.854 1.00 0.00 ATOM 116 CG HIS 34 28.787 6.328 26.723 1.00 0.00 ATOM 117 CD2 HIS 34 30.103 6.359 26.420 1.00 0.00 ATOM 118 ND1 HIS 34 28.715 6.163 28.088 1.00 0.00 ATOM 119 CE1 HIS 34 29.934 6.084 28.595 1.00 0.00 ATOM 120 NE2 HIS 34 30.796 6.221 27.604 1.00 0.00 ATOM 121 O HIS 34 27.010 6.867 22.607 1.00 0.00 ATOM 122 C HIS 34 26.641 7.290 23.705 1.00 0.00 ATOM 123 N ALA 35 25.369 7.587 24.005 1.00 0.00 ATOM 124 CA ALA 35 24.252 7.392 23.095 1.00 0.00 ATOM 125 CB ALA 35 22.944 7.620 23.809 1.00 0.00 ATOM 126 O ALA 35 23.905 7.893 20.778 1.00 0.00 ATOM 127 C ALA 35 24.341 8.292 21.870 1.00 0.00 ATOM 128 N THR 36 24.923 9.483 22.035 1.00 0.00 ATOM 129 CA THR 36 25.132 10.419 20.935 1.00 0.00 ATOM 130 CB THR 36 25.448 11.831 21.443 1.00 0.00 ATOM 131 CG2 THR 36 25.743 12.731 20.309 1.00 0.00 ATOM 132 OG1 THR 36 24.285 12.315 22.078 1.00 0.00 ATOM 133 O THR 36 26.081 10.113 18.782 1.00 0.00 ATOM 134 C THR 36 26.242 10.009 19.997 1.00 0.00 ATOM 135 N ILE 37 27.365 9.565 20.568 1.00 0.00 ATOM 136 CA ILE 37 28.496 9.072 19.807 1.00 0.00 ATOM 137 CB ILE 37 29.699 8.689 20.750 1.00 0.00 ATOM 138 CG1 ILE 37 30.293 9.945 21.388 1.00 0.00 ATOM 139 CG2 ILE 37 30.724 7.695 20.067 1.00 0.00 ATOM 140 CD1 ILE 37 30.897 9.656 22.758 1.00 0.00 ATOM 141 O ILE 37 28.379 7.765 17.786 1.00 0.00 ATOM 142 C ILE 37 28.058 7.851 18.972 1.00 0.00 ATOM 143 N TYR 38 27.293 6.950 19.577 1.00 0.00 ATOM 144 CA TYR 38 26.712 5.828 18.833 1.00 0.00 ATOM 145 CB TYR 38 25.944 4.923 19.800 1.00 0.00 ATOM 146 CG TYR 38 25.051 3.875 19.206 1.00 0.00 ATOM 147 CD1 TYR 38 25.571 2.628 18.842 1.00 0.00 ATOM 148 CD2 TYR 38 23.667 4.079 19.068 1.00 0.00 ATOM 149 CE1 TYR 38 24.753 1.615 18.318 1.00 0.00 ATOM 150 CE2 TYR 38 22.831 3.034 18.546 1.00 0.00 ATOM 151 CZ TYR 38 23.388 1.831 18.171 1.00 0.00 ATOM 152 OH TYR 38 22.625 0.773 17.697 1.00 0.00 ATOM 153 O TYR 38 25.867 5.825 16.565 1.00 0.00 ATOM 154 C TYR 38 25.814 6.339 17.689 1.00 0.00 ATOM 155 N GLY 39 25.010 7.367 17.958 1.00 0.00 ATOM 156 CA GLY 39 24.062 7.831 16.964 1.00 0.00 ATOM 157 O GLY 39 24.252 8.461 14.664 1.00 0.00 ATOM 158 C GLY 39 24.748 8.490 15.788 1.00 0.00 ATOM 159 N TYR 40 25.874 9.147 16.046 1.00 0.00 ATOM 160 CA TYR 40 26.577 9.815 14.957 1.00 0.00 ATOM 161 CB TYR 40 27.595 10.817 15.470 1.00 0.00 ATOM 162 CG TYR 40 27.110 12.244 15.596 1.00 0.00 ATOM 163 CD1 TYR 40 26.985 12.848 16.839 1.00 0.00 ATOM 164 CD2 TYR 40 26.761 12.991 14.454 1.00 0.00 ATOM 165 CE1 TYR 40 26.531 14.203 16.953 1.00 0.00 ATOM 166 CE2 TYR 40 26.304 14.291 14.554 1.00 0.00 ATOM 167 CZ TYR 40 26.184 14.903 15.818 1.00 0.00 ATOM 168 OH TYR 40 25.766 16.227 15.913 1.00 0.00 ATOM 169 O TYR 40 27.522 9.183 12.875 1.00 0.00 ATOM 170 C TYR 40 27.244 8.824 13.999 1.00 0.00 ATOM 171 N GLY 41 27.513 7.595 14.459 1.00 0.00 ATOM 172 CA GLY 41 27.883 6.524 13.548 1.00 0.00 ATOM 173 O GLY 41 27.118 6.129 11.314 1.00 0.00 ATOM 174 C GLY 41 26.806 6.349 12.479 1.00 0.00 ATOM 175 N ILE 42 25.539 6.402 12.889 1.00 0.00 ATOM 176 CA ILE 42 24.433 6.255 11.956 1.00 0.00 ATOM 177 CB ILE 42 23.127 5.888 12.683 1.00 0.00 ATOM 178 CG1 ILE 42 23.199 4.427 13.176 1.00 0.00 ATOM 179 CG2 ILE 42 21.929 5.952 11.728 1.00 0.00 ATOM 180 CD1 ILE 42 23.950 4.259 14.518 1.00 0.00 ATOM 181 O ILE 42 24.099 7.421 9.881 1.00 0.00 ATOM 182 C ILE 42 24.272 7.516 11.088 1.00 0.00 ATOM 183 N VAL 43 24.366 8.690 11.705 1.00 0.00 ATOM 184 CA VAL 43 24.368 9.942 10.965 1.00 0.00 ATOM 185 CB VAL 43 24.643 11.138 11.899 1.00 0.00 ATOM 186 CG1 VAL 43 24.820 12.446 11.112 1.00 0.00 ATOM 187 CG2 VAL 43 23.535 11.265 12.920 1.00 0.00 ATOM 188 O VAL 43 25.094 10.091 8.679 1.00 0.00 ATOM 189 C VAL 43 25.407 9.847 9.852 1.00 0.00 ATOM 190 N SER 44 26.618 9.414 10.190 1.00 0.00 ATOM 191 CA SER 44 27.677 9.311 9.191 1.00 0.00 ATOM 192 CB SER 44 28.978 8.935 9.912 1.00 0.00 ATOM 193 OG SER 44 30.003 8.677 8.977 1.00 0.00 ATOM 194 O SER 44 27.627 8.638 6.854 1.00 0.00 ATOM 195 C SER 44 27.410 8.315 8.034 1.00 0.00 ATOM 196 N ALA 45 26.992 7.090 8.383 1.00 0.00 ATOM 197 CA ALA 45 26.714 6.034 7.416 1.00 0.00 ATOM 198 CB ALA 45 26.324 4.768 8.137 1.00 0.00 ATOM 199 O ALA 45 25.677 5.982 5.278 1.00 0.00 ATOM 200 C ALA 45 25.627 6.417 6.430 1.00 0.00 ATOM 201 N LEU 46 24.627 7.169 6.895 1.00 0.00 ATOM 202 CA LEU 46 23.542 7.627 6.043 1.00 0.00 ATOM 203 CB LEU 46 22.299 7.961 6.868 1.00 0.00 ATOM 204 CG LEU 46 21.362 6.859 7.370 1.00 0.00 ATOM 205 CD1 LEU 46 20.615 7.416 8.534 1.00 0.00 ATOM 206 CD2 LEU 46 20.417 6.363 6.312 1.00 0.00 ATOM 207 O LEU 46 23.629 8.848 3.954 1.00 0.00 ATOM 208 C LEU 46 23.875 8.872 5.190 1.00 0.00 ATOM 209 N SER 47 24.434 9.900 5.871 1.00 0.00 ATOM 210 CA SER 47 24.657 11.349 5.414 1.00 0.00 ATOM 211 CB SER 47 25.566 12.069 6.345 1.00 0.00 ATOM 212 OG SER 47 24.846 12.334 7.524 1.00 0.00 ATOM 213 O SER 47 25.804 10.636 3.493 1.00 0.00 ATOM 214 C SER 47 25.061 11.498 3.958 1.00 0.00 ATOM 215 N PRO 48 24.857 12.689 3.324 1.00 0.00 ATOM 216 CA PRO 48 25.870 13.396 2.506 1.00 0.00 ATOM 217 CB PRO 48 25.255 14.774 2.250 1.00 0.00 ATOM 218 CG PRO 48 23.806 14.523 2.304 1.00 0.00 ATOM 219 CD PRO 48 23.721 13.607 3.548 1.00 0.00 ATOM 220 O PRO 48 27.648 13.941 3.899 1.00 0.00 ATOM 221 C PRO 48 27.321 13.442 2.842 1.00 0.00 ATOM 222 N PRO 49 28.200 13.002 1.875 1.00 0.00 ATOM 223 CA PRO 49 29.631 13.419 1.873 1.00 0.00 ATOM 224 CB PRO 49 30.116 13.095 0.446 1.00 0.00 ATOM 225 CG PRO 49 29.133 12.097 -0.098 1.00 0.00 ATOM 226 CD PRO 49 27.865 12.125 0.723 1.00 0.00 ATOM 227 O PRO 49 30.795 15.301 2.839 1.00 0.00 ATOM 228 C PRO 49 29.807 14.935 2.175 1.00 0.00 ATOM 229 N GLY 50 28.850 15.770 1.705 1.00 0.00 ATOM 230 CA GLY 50 28.770 17.236 1.962 1.00 0.00 ATOM 231 O GLY 50 29.011 18.874 3.723 1.00 0.00 ATOM 232 C GLY 50 28.789 17.705 3.431 1.00 0.00 ATOM 233 N VAL 51 28.513 16.803 4.367 1.00 0.00 ATOM 234 CA VAL 51 28.523 17.180 5.778 1.00 0.00 ATOM 235 CB VAL 51 27.106 17.054 6.430 1.00 0.00 ATOM 236 CG1 VAL 51 26.108 17.991 5.777 1.00 0.00 ATOM 237 CG2 VAL 51 26.623 15.602 6.377 1.00 0.00 ATOM 238 O VAL 51 29.388 16.170 7.783 1.00 0.00 ATOM 239 C VAL 51 29.513 16.306 6.565 1.00 0.00 ATOM 240 N ASN 52 30.464 15.656 5.901 1.00 0.00 ATOM 241 CA ASN 52 31.382 14.919 6.753 1.00 0.00 ATOM 242 CB ASN 52 31.744 13.404 6.464 1.00 0.00 ATOM 243 CG ASN 52 31.230 12.833 5.136 1.00 0.00 ATOM 244 ND2 ASN 52 32.140 12.754 4.152 1.00 0.00 ATOM 245 OD1 ASN 52 30.066 12.328 5.044 1.00 0.00 ATOM 246 O ASN 52 32.875 15.100 8.546 1.00 0.00 ATOM 247 C ASN 52 32.421 15.634 7.551 1.00 0.00 ATOM 248 N PHE 53 32.712 16.874 7.179 1.00 0.00 ATOM 249 CA PHE 53 33.418 17.817 8.049 1.00 0.00 ATOM 250 CB PHE 53 33.600 19.182 7.371 1.00 0.00 ATOM 251 CG PHE 53 34.784 19.260 6.405 1.00 0.00 ATOM 252 CD1 PHE 53 36.014 18.618 6.697 1.00 0.00 ATOM 253 CD2 PHE 53 34.682 20.019 5.213 1.00 0.00 ATOM 254 CE1 PHE 53 37.110 18.694 5.797 1.00 0.00 ATOM 255 CE2 PHE 53 35.771 20.117 4.314 1.00 0.00 ATOM 256 CZ PHE 53 36.987 19.450 4.606 1.00 0.00 ATOM 257 O PHE 53 33.243 18.038 10.411 1.00 0.00 ATOM 258 C PHE 53 32.648 18.020 9.359 1.00 0.00 ATOM 259 N LEU 54 31.322 18.173 9.262 1.00 0.00 ATOM 260 CA LEU 54 30.431 18.373 10.409 1.00 0.00 ATOM 261 CB LEU 54 29.049 18.827 9.913 1.00 0.00 ATOM 262 CG LEU 54 27.895 19.272 10.852 1.00 0.00 ATOM 263 CD1 LEU 54 28.365 20.300 11.867 1.00 0.00 ATOM 264 CD2 LEU 54 26.611 19.795 10.103 1.00 0.00 ATOM 265 O LEU 54 30.499 17.201 12.538 1.00 0.00 ATOM 266 C LEU 54 30.363 17.124 11.304 1.00 0.00 ATOM 267 N VAL 55 30.179 15.966 10.683 1.00 0.00 ATOM 268 CA VAL 55 30.122 14.716 11.409 1.00 0.00 ATOM 269 CB VAL 55 29.854 13.493 10.489 1.00 0.00 ATOM 270 CG1 VAL 55 30.005 12.161 11.292 1.00 0.00 ATOM 271 CG2 VAL 55 28.451 13.585 9.836 1.00 0.00 ATOM 272 O VAL 55 31.392 14.225 13.350 1.00 0.00 ATOM 273 C VAL 55 31.428 14.496 12.151 1.00 0.00 ATOM 274 N ALA 56 32.569 14.597 11.462 1.00 0.00 ATOM 275 CA ALA 56 33.871 14.422 12.120 1.00 0.00 ATOM 276 CB ALA 56 35.035 14.633 11.135 1.00 0.00 ATOM 277 O ALA 56 34.480 14.914 14.404 1.00 0.00 ATOM 278 C ALA 56 34.041 15.354 13.325 1.00 0.00 ATOM 279 N ASP 57 33.741 16.646 13.113 1.00 0.00 ATOM 280 CA ASP 57 33.755 17.668 14.156 1.00 0.00 ATOM 281 CB ASP 57 33.140 18.979 13.615 1.00 0.00 ATOM 282 CG ASP 57 34.121 19.861 12.867 1.00 0.00 ATOM 283 OD1 ASP 57 35.338 19.535 12.805 1.00 0.00 ATOM 284 OD2 ASP 57 33.641 20.917 12.340 1.00 0.00 ATOM 285 O ASP 57 33.349 17.326 16.471 1.00 0.00 ATOM 286 C ASP 57 32.903 17.260 15.352 1.00 0.00 ATOM 287 N ALA 58 31.633 16.924 15.100 1.00 0.00 ATOM 288 CA ALA 58 30.717 16.547 16.172 1.00 0.00 ATOM 289 CB ALA 58 29.315 16.287 15.618 1.00 0.00 ATOM 290 O ALA 58 31.230 15.319 18.188 1.00 0.00 ATOM 291 C ALA 58 31.247 15.322 16.963 1.00 0.00 ATOM 292 N LEU 59 31.744 14.313 16.252 1.00 0.00 ATOM 293 CA LEU 59 32.236 13.087 16.889 1.00 0.00 ATOM 294 CB LEU 59 32.502 11.969 15.862 1.00 0.00 ATOM 295 CG LEU 59 31.367 11.034 15.439 1.00 0.00 ATOM 296 CD1 LEU 59 31.758 10.261 14.211 1.00 0.00 ATOM 297 CD2 LEU 59 31.042 10.084 16.574 1.00 0.00 ATOM 298 O LEU 59 33.566 12.770 18.833 1.00 0.00 ATOM 299 C LEU 59 33.477 13.310 17.754 1.00 0.00 ATOM 300 N LYS 60 34.403 14.145 17.305 1.00 0.00 ATOM 301 CA LYS 60 35.604 14.446 18.090 1.00 0.00 ATOM 302 CB LYS 60 36.634 15.167 17.215 1.00 0.00 ATOM 303 CG LYS 60 37.808 15.806 17.929 1.00 0.00 ATOM 304 CD LYS 60 38.609 16.737 16.979 1.00 0.00 ATOM 305 CE LYS 60 38.078 18.207 16.997 1.00 0.00 ATOM 306 NZ LYS 60 39.113 19.265 16.573 1.00 0.00 ATOM 307 O LYS 60 35.700 14.960 20.446 1.00 0.00 ATOM 308 C LYS 60 35.232 15.246 19.345 1.00 0.00 ATOM 309 N GLN 61 34.366 16.232 19.175 1.00 0.00 ATOM 310 CA GLN 61 33.806 16.997 20.301 1.00 0.00 ATOM 311 CB GLN 61 32.850 18.061 19.778 1.00 0.00 ATOM 312 CG GLN 61 32.179 18.876 20.864 1.00 0.00 ATOM 313 CD GLN 61 31.193 19.878 20.263 1.00 0.00 ATOM 314 OE1 GLN 61 29.990 19.624 20.182 1.00 0.00 ATOM 315 NE2 GLN 61 31.718 20.978 19.778 1.00 0.00 ATOM 316 O GLN 61 33.346 16.268 22.579 1.00 0.00 ATOM 317 C GLN 61 33.110 16.116 21.376 1.00 0.00 ATOM 318 N HIS 62 32.257 15.208 20.924 1.00 0.00 ATOM 319 CA HIS 62 31.618 14.285 21.860 1.00 0.00 ATOM 320 CB HIS 62 30.466 13.556 21.216 1.00 0.00 ATOM 321 CG HIS 62 29.327 14.434 20.884 1.00 0.00 ATOM 322 CD2 HIS 62 28.937 14.977 19.707 1.00 0.00 ATOM 323 ND1 HIS 62 28.446 14.893 21.840 1.00 0.00 ATOM 324 CE1 HIS 62 27.557 15.681 21.262 1.00 0.00 ATOM 325 NE2 HIS 62 27.816 15.726 19.964 1.00 0.00 ATOM 326 O HIS 62 32.453 13.007 23.675 1.00 0.00 ATOM 327 C HIS 62 32.568 13.268 22.486 1.00 0.00 ATOM 328 N ARG 63 33.473 12.681 21.706 1.00 0.00 ATOM 329 CA ARG 63 34.396 11.684 22.252 1.00 0.00 ATOM 330 CB ARG 63 35.237 11.001 21.171 1.00 0.00 ATOM 331 CG ARG 63 34.468 10.014 20.352 1.00 0.00 ATOM 332 CD ARG 63 35.215 9.665 19.123 1.00 0.00 ATOM 333 NE ARG 63 34.583 8.510 18.517 1.00 0.00 ATOM 334 CZ ARG 63 34.576 8.227 17.217 1.00 0.00 ATOM 335 NH1 ARG 63 35.170 9.049 16.354 1.00 0.00 ATOM 336 NH2 ARG 63 33.960 7.115 16.787 1.00 0.00 ATOM 337 O ARG 63 35.463 11.715 24.381 1.00 0.00 ATOM 338 C ARG 63 35.276 12.307 23.318 1.00 0.00 ATOM 339 N HIS 64 35.734 13.538 23.048 1.00 0.00 ATOM 340 CA HIS 64 36.581 14.274 23.968 1.00 0.00 ATOM 341 CB HIS 64 37.162 15.540 23.288 1.00 0.00 ATOM 342 CG HIS 64 38.172 16.273 24.126 1.00 0.00 ATOM 343 CD2 HIS 64 39.525 16.181 24.184 1.00 0.00 ATOM 344 ND1 HIS 64 37.823 17.244 25.049 1.00 0.00 ATOM 345 CE1 HIS 64 38.909 17.708 25.644 1.00 0.00 ATOM 346 NE2 HIS 64 39.957 17.084 25.136 1.00 0.00 ATOM 347 O HIS 64 36.305 14.430 26.342 1.00 0.00 ATOM 348 C HIS 64 35.806 14.632 25.247 1.00 0.00 ATOM 349 N ARG 65 34.593 15.174 25.102 1.00 0.00 ATOM 350 CA ARG 65 33.735 15.466 26.238 1.00 0.00 ATOM 351 CB ARG 65 32.400 15.994 25.740 1.00 0.00 ATOM 352 CG ARG 65 31.536 16.552 26.832 1.00 0.00 ATOM 353 CD ARG 65 30.212 16.966 26.260 1.00 0.00 ATOM 354 NE ARG 65 30.339 18.086 25.348 1.00 0.00 ATOM 355 CZ ARG 65 29.520 18.319 24.328 1.00 0.00 ATOM 356 NH1 ARG 65 28.517 17.482 24.078 1.00 0.00 ATOM 357 NH2 ARG 65 29.703 19.386 23.545 1.00 0.00 ATOM 358 O ARG 65 33.618 14.286 28.323 1.00 0.00 ATOM 359 C ARG 65 33.490 14.223 27.108 1.00 0.00 ATOM 360 N ARG 66 33.115 13.115 26.474 1.00 0.00 ATOM 361 CA ARG 66 32.915 11.801 27.144 1.00 0.00 ATOM 362 CB ARG 66 32.592 10.718 26.121 1.00 0.00 ATOM 363 CG ARG 66 32.749 9.217 26.685 1.00 0.00 ATOM 364 CD ARG 66 32.882 8.214 25.534 1.00 0.00 ATOM 365 NE ARG 66 34.165 8.275 24.817 1.00 0.00 ATOM 366 CZ ARG 66 34.411 7.671 23.646 1.00 0.00 ATOM 367 NH1 ARG 66 33.481 6.957 23.027 1.00 0.00 ATOM 368 NH2 ARG 66 35.602 7.773 23.086 1.00 0.00 ATOM 369 O ARG 66 33.984 11.054 29.174 1.00 0.00 ATOM 370 C ARG 66 34.124 11.377 27.988 1.00 0.00 ATOM 371 N ASP 67 35.310 11.379 27.382 1.00 0.00 ATOM 372 CA ASP 67 36.550 11.071 28.111 1.00 0.00 ATOM 373 CB ASP 67 37.745 11.081 27.160 1.00 0.00 ATOM 374 CG ASP 67 37.619 10.043 26.023 1.00 0.00 ATOM 375 OD1 ASP 67 36.729 9.148 26.058 1.00 0.00 ATOM 376 OD2 ASP 67 38.417 10.133 25.069 1.00 0.00 ATOM 377 O ASP 67 37.141 11.599 30.354 1.00 0.00 ATOM 378 C ASP 67 36.776 12.022 29.265 1.00 0.00 ATOM 379 N ASP 68 36.559 13.320 29.043 1.00 0.00 ATOM 380 CA ASP 68 36.621 14.318 30.119 1.00 0.00 ATOM 381 CB ASP 68 36.298 15.706 29.560 1.00 0.00 ATOM 382 CG ASP 68 37.519 16.439 28.994 1.00 0.00 ATOM 383 OD1 ASP 68 38.634 15.920 29.041 1.00 0.00 ATOM 384 OD2 ASP 68 37.360 17.572 28.484 1.00 0.00 ATOM 385 O ASP 68 36.130 14.222 32.494 1.00 0.00 ATOM 386 C ASP 68 35.709 14.041 31.345 1.00 0.00 ATOM 387 N VAL 69 34.466 13.648 31.084 1.00 0.00 ATOM 388 CA VAL 69 33.483 13.284 32.101 1.00 0.00 ATOM 389 CB VAL 69 32.060 13.129 31.461 1.00 0.00 ATOM 390 CG1 VAL 69 31.027 12.630 32.499 1.00 0.00 ATOM 391 CG2 VAL 69 31.637 14.461 30.807 1.00 0.00 ATOM 392 O VAL 69 33.601 11.872 34.005 1.00 0.00 ATOM 393 C VAL 69 33.858 11.992 32.817 1.00 0.00 ATOM 394 N ILE 70 34.431 11.018 32.100 1.00 0.00 ATOM 395 CA ILE 70 34.975 9.800 32.740 1.00 0.00 ATOM 396 CB ILE 70 35.487 8.781 31.683 1.00 0.00 ATOM 397 CG1 ILE 70 34.273 8.228 30.905 1.00 0.00 ATOM 398 CG2 ILE 70 36.343 7.633 32.323 1.00 0.00 ATOM 399 CD1 ILE 70 34.576 7.365 29.669 1.00 0.00 ATOM 400 O ILE 70 35.983 9.652 34.936 1.00 0.00 ATOM 401 C ILE 70 36.025 10.161 33.812 1.00 0.00 ATOM 402 N VAL 71 36.919 11.091 33.482 1.00 0.00 ATOM 403 CA VAL 71 37.914 11.575 34.431 1.00 0.00 ATOM 404 CB VAL 71 38.957 12.508 33.718 1.00 0.00 ATOM 405 CG1 VAL 71 39.841 13.266 34.727 1.00 0.00 ATOM 406 CG2 VAL 71 39.816 11.699 32.740 1.00 0.00 ATOM 407 O VAL 71 37.539 11.965 36.777 1.00 0.00 ATOM 408 C VAL 71 37.227 12.265 35.631 1.00 0.00 ATOM 409 N MET 72 36.279 13.163 35.361 1.00 0.00 ATOM 410 CA MET 72 35.558 13.913 36.421 1.00 0.00 ATOM 411 CB MET 72 34.497 14.839 35.829 1.00 0.00 ATOM 412 CG MET 72 35.024 16.101 35.177 1.00 0.00 ATOM 413 SD MET 72 33.835 16.896 34.067 1.00 0.00 ATOM 414 CE MET 72 32.848 17.848 35.220 1.00 0.00 ATOM 415 O MET 72 35.013 13.176 38.641 1.00 0.00 ATOM 416 C MET 72 34.881 12.985 37.425 1.00 0.00 ATOM 417 N LEU 73 34.163 11.986 36.923 1.00 0.00 ATOM 418 CA LEU 73 33.474 11.029 37.793 1.00 0.00 ATOM 419 CB LEU 73 32.550 10.085 36.999 1.00 0.00 ATOM 420 CG LEU 73 31.337 10.788 36.331 1.00 0.00 ATOM 421 CD1 LEU 73 30.657 9.882 35.298 1.00 0.00 ATOM 422 CD2 LEU 73 30.298 11.265 37.359 1.00 0.00 ATOM 423 O LEU 73 34.193 10.040 39.852 1.00 0.00 ATOM 424 C LEU 73 34.476 10.267 38.672 1.00 0.00 ATOM 425 N SER 74 35.649 9.923 38.116 1.00 0.00 ATOM 426 CA SER 74 36.740 9.321 38.905 1.00 0.00 ATOM 427 CB SER 74 37.884 8.847 38.003 1.00 0.00 ATOM 428 OG SER 74 37.404 7.871 37.092 1.00 0.00 ATOM 429 O SER 74 37.478 9.766 41.174 1.00 0.00 ATOM 430 C SER 74 37.270 10.221 40.029 1.00 0.00 ATOM 431 N ALA 75 37.472 11.500 39.719 1.00 0.00 ATOM 432 CA ALA 75 37.853 12.478 40.736 1.00 0.00 ATOM 433 CB ALA 75 38.056 13.850 40.107 1.00 0.00 ATOM 434 O ALA 75 37.212 12.879 43.030 1.00 0.00 ATOM 435 C ALA 75 36.842 12.546 41.900 1.00 0.00 ATOM 436 N ARG 76 35.585 12.209 41.615 1.00 0.00 ATOM 437 CA ARG 76 34.510 12.204 42.596 1.00 0.00 ATOM 438 CB ARG 76 33.178 12.506 41.912 1.00 0.00 ATOM 439 CG ARG 76 33.091 13.874 41.264 1.00 0.00 ATOM 440 CD ARG 76 31.710 14.074 40.702 1.00 0.00 ATOM 441 NE ARG 76 31.500 15.421 40.155 1.00 0.00 ATOM 442 CZ ARG 76 30.302 15.915 39.882 1.00 0.00 ATOM 443 NH1 ARG 76 29.209 15.179 40.112 1.00 0.00 ATOM 444 NH2 ARG 76 30.188 17.121 39.345 1.00 0.00 ATOM 445 O ARG 76 33.559 10.809 44.319 1.00 0.00 ATOM 446 C ARG 76 34.361 10.877 43.378 1.00 0.00 ATOM 447 N GLY 77 35.096 9.835 42.979 1.00 0.00 ATOM 448 CA GLY 77 34.934 8.500 43.568 1.00 0.00 ATOM 449 O GLY 77 33.231 6.800 43.573 1.00 0.00 ATOM 450 C GLY 77 33.780 7.729 42.960 1.00 0.00 ATOM 451 N VAL 78 33.416 8.086 41.736 1.00 0.00 ATOM 452 CA VAL 78 32.337 7.409 41.039 1.00 0.00 ATOM 453 CB VAL 78 31.221 8.416 40.566 1.00 0.00 ATOM 454 CG1 VAL 78 30.143 7.713 39.765 1.00 0.00 ATOM 455 CG2 VAL 78 30.608 9.174 41.759 1.00 0.00 ATOM 456 O VAL 78 33.637 7.254 39.020 1.00 0.00 ATOM 457 C VAL 78 32.917 6.665 39.835 1.00 0.00 ATOM 458 N THR 79 32.610 5.381 39.716 1.00 0.00 ATOM 459 CA THR 79 33.000 4.642 38.518 1.00 0.00 ATOM 460 CB THR 79 33.035 3.107 38.742 1.00 0.00 ATOM 461 CG2 THR 79 34.138 2.688 39.766 1.00 0.00 ATOM 462 OG1 THR 79 31.750 2.677 39.206 1.00 0.00 ATOM 463 O THR 79 30.767 4.763 37.637 1.00 0.00 ATOM 464 C THR 79 31.973 4.963 37.439 1.00 0.00 ATOM 465 N ALA 80 32.453 5.493 36.316 1.00 0.00 ATOM 466 CA ALA 80 31.598 5.927 35.208 1.00 0.00 ATOM 467 CB ALA 80 32.471 6.489 34.091 1.00 0.00 ATOM 468 O ALA 80 31.068 3.652 34.554 1.00 0.00 ATOM 469 C ALA 80 30.660 4.826 34.665 1.00 0.00 ATOM 470 N PRO 81 29.389 5.197 34.352 1.00 0.00 ATOM 471 CA PRO 81 28.613 4.367 33.423 1.00 0.00 ATOM 472 CB PRO 81 27.349 5.218 33.132 1.00 0.00 ATOM 473 CG PRO 81 27.633 6.598 33.681 1.00 0.00 ATOM 474 CD PRO 81 28.596 6.348 34.831 1.00 0.00 ATOM 475 O PRO 81 29.964 5.084 31.549 1.00 0.00 ATOM 476 C PRO 81 29.412 4.131 32.130 1.00 0.00 ATOM 477 N ILE 82 29.509 2.867 31.721 1.00 0.00 ATOM 478 CA ILE 82 30.126 2.514 30.437 1.00 0.00 ATOM 479 CB ILE 82 30.943 1.190 30.525 1.00 0.00 ATOM 480 CG1 ILE 82 30.021 -0.024 30.722 1.00 0.00 ATOM 481 CG2 ILE 82 32.012 1.299 31.637 1.00 0.00 ATOM 482 CD1 ILE 82 30.586 -1.334 30.199 1.00 0.00 ATOM 483 O ILE 82 27.845 2.402 29.654 1.00 0.00 ATOM 484 C ILE 82 29.043 2.453 29.343 1.00 0.00 ATOM 485 N ALA 83 29.442 2.479 28.073 1.00 0.00 ATOM 486 CA ALA 83 28.446 2.465 27.000 1.00 0.00 ATOM 487 CB ALA 83 29.091 2.813 25.661 1.00 0.00 ATOM 488 O ALA 83 28.268 0.055 27.278 1.00 0.00 ATOM 489 C ALA 83 27.707 1.105 26.928 1.00 0.00 ATOM 490 N ALA 84 26.434 1.151 26.514 1.00 0.00 ATOM 491 CA ALA 84 25.678 -0.049 26.156 1.00 0.00 ATOM 492 CB ALA 84 24.153 0.226 26.194 1.00 0.00 ATOM 493 O ALA 84 26.629 0.374 23.973 1.00 0.00 ATOM 494 C ALA 84 26.147 -0.473 24.750 1.00 0.00 ATOM 495 N ALA 85 26.031 -1.772 24.447 1.00 0.00 ATOM 496 CA ALA 85 26.389 -2.363 23.126 1.00 0.00 ATOM 497 CB ALA 85 26.154 -3.873 23.158 1.00 0.00 ATOM 498 O ALA 85 26.254 -1.243 20.970 1.00 0.00 ATOM 499 C ALA 85 25.638 -1.711 21.944 1.00 0.00 ATOM 500 N GLY 86 24.306 -1.693 22.047 1.00 0.00 ATOM 501 CA GLY 86 23.445 -0.858 21.206 1.00 0.00 ATOM 502 O GLY 86 22.447 -0.034 23.260 1.00 0.00 ATOM 503 C GLY 86 22.544 0.067 22.024 1.00 0.00 ATOM 504 N TYR 87 21.916 1.013 21.327 1.00 0.00 ATOM 505 CA TYR 87 20.924 1.923 21.909 1.00 0.00 ATOM 506 CB TYR 87 21.417 3.373 21.973 1.00 0.00 ATOM 507 CG TYR 87 22.497 3.557 23.023 1.00 0.00 ATOM 508 CD1 TYR 87 22.178 3.932 24.337 1.00 0.00 ATOM 509 CD2 TYR 87 23.844 3.313 22.718 1.00 0.00 ATOM 510 CE1 TYR 87 23.180 4.051 25.309 1.00 0.00 ATOM 511 CE2 TYR 87 24.842 3.467 23.674 1.00 0.00 ATOM 512 CZ TYR 87 24.504 3.819 24.960 1.00 0.00 ATOM 513 OH TYR 87 25.502 3.914 25.893 1.00 0.00 ATOM 514 O TYR 87 19.780 1.298 19.918 1.00 0.00 ATOM 515 C TYR 87 19.708 1.806 21.028 1.00 0.00 ATOM 516 N GLN 88 18.576 2.209 21.566 1.00 0.00 ATOM 517 CA GLN 88 17.433 2.503 20.767 1.00 0.00 ATOM 518 CB GLN 88 16.207 2.262 21.637 1.00 0.00 ATOM 519 CG GLN 88 14.910 2.749 21.092 1.00 0.00 ATOM 520 CD GLN 88 14.485 1.994 19.872 1.00 0.00 ATOM 521 OE1 GLN 88 14.033 2.595 18.906 1.00 0.00 ATOM 522 NE2 GLN 88 14.625 0.665 19.895 1.00 0.00 ATOM 523 O GLN 88 17.718 4.843 21.312 1.00 0.00 ATOM 524 C GLN 88 17.654 4.002 20.413 1.00 0.00 ATOM 525 N LEU 89 17.842 4.317 19.127 1.00 0.00 ATOM 526 CA LEU 89 17.914 5.707 18.666 1.00 0.00 ATOM 527 CB LEU 89 18.130 5.797 17.139 1.00 0.00 ATOM 528 CG LEU 89 19.399 5.279 16.459 1.00 0.00 ATOM 529 CD1 LEU 89 19.316 5.500 14.941 1.00 0.00 ATOM 530 CD2 LEU 89 20.620 5.910 17.039 1.00 0.00 ATOM 531 O LEU 89 15.526 5.902 19.085 1.00 0.00 ATOM 532 C LEU 89 16.633 6.484 19.044 1.00 0.00 ATOM 533 N PRO 90 16.771 7.807 19.267 1.00 0.00 ATOM 534 CA PRO 90 15.612 8.660 19.589 1.00 0.00 ATOM 535 CB PRO 90 16.242 10.025 19.891 1.00 0.00 ATOM 536 CG PRO 90 17.610 10.009 19.325 1.00 0.00 ATOM 537 CD PRO 90 18.039 8.562 19.232 1.00 0.00 ATOM 538 O PRO 90 13.374 9.112 18.751 1.00 0.00 ATOM 539 C PRO 90 14.533 8.743 18.481 1.00 0.00 ATOM 540 N MET 91 14.895 8.362 17.250 1.00 0.00 ATOM 541 CA MET 91 13.946 8.328 16.143 1.00 0.00 ATOM 542 CB MET 91 13.856 9.696 15.453 1.00 0.00 ATOM 543 CG MET 91 15.102 10.092 14.659 1.00 0.00 ATOM 544 SD MET 91 15.022 11.779 14.030 1.00 0.00 ATOM 545 CE MET 91 14.406 11.536 12.371 1.00 0.00 ATOM 546 O MET 91 15.538 6.891 15.079 1.00 0.00 ATOM 547 C MET 91 14.367 7.280 15.126 1.00 0.00 ATOM 548 N GLN 92 13.399 6.861 14.320 1.00 0.00 ATOM 549 CA GLN 92 13.643 6.039 13.148 1.00 0.00 ATOM 550 CB GLN 92 12.342 5.395 12.676 1.00 0.00 ATOM 551 CG GLN 92 11.672 4.600 13.772 1.00 0.00 ATOM 552 CD GLN 92 10.954 3.457 13.216 1.00 0.00 ATOM 553 OE1 GLN 92 10.050 3.632 12.401 1.00 0.00 ATOM 554 NE2 GLN 92 11.368 2.244 13.596 1.00 0.00 ATOM 555 O GLN 92 13.924 8.025 11.786 1.00 0.00 ATOM 556 C GLN 92 14.250 6.827 12.006 1.00 0.00 ATOM 557 N VAL 93 15.135 6.160 11.278 1.00 0.00 ATOM 558 CA VAL 93 15.820 6.760 10.149 1.00 0.00 ATOM 559 CB VAL 93 17.281 7.206 10.514 1.00 0.00 ATOM 560 CG1 VAL 93 17.271 8.231 11.690 1.00 0.00 ATOM 561 CG2 VAL 93 18.179 6.037 10.859 1.00 0.00 ATOM 562 O VAL 93 15.790 4.587 9.153 1.00 0.00 ATOM 563 C VAL 93 15.798 5.803 8.967 1.00 0.00 ATOM 564 N SER 94 15.793 6.341 7.751 1.00 0.00 ATOM 565 CA SER 94 15.900 5.506 6.579 1.00 0.00 ATOM 566 CB SER 94 14.539 4.989 6.157 1.00 0.00 ATOM 567 OG SER 94 13.706 6.043 5.796 1.00 0.00 ATOM 568 O SER 94 16.806 5.589 4.375 1.00 0.00 ATOM 569 C SER 94 16.600 6.188 5.411 1.00 0.00 ATOM 570 N SER 95 16.978 7.450 5.571 1.00 0.00 ATOM 571 CA SER 95 17.714 8.074 4.486 1.00 0.00 ATOM 572 CB SER 95 16.764 8.556 3.375 1.00 0.00 ATOM 573 OG SER 95 16.090 9.723 3.856 1.00 0.00 ATOM 574 O SER 95 18.482 9.612 6.162 1.00 0.00 ATOM 575 C SER 95 18.564 9.214 4.996 1.00 0.00 ATOM 576 N ALA 96 19.411 9.710 4.084 1.00 0.00 ATOM 577 CA ALA 96 20.228 10.909 4.305 1.00 0.00 ATOM 578 CB ALA 96 20.971 11.308 2.961 1.00 0.00 ATOM 579 O ALA 96 20.228 12.730 5.841 1.00 0.00 ATOM 580 C ALA 96 19.579 12.104 4.999 1.00 0.00 ATOM 581 N ALA 97 18.298 12.408 4.740 1.00 0.00 ATOM 582 CA ALA 97 17.596 13.525 5.458 1.00 0.00 ATOM 583 CB ALA 97 16.407 13.981 4.702 1.00 0.00 ATOM 584 O ALA 97 17.164 14.158 7.775 1.00 0.00 ATOM 585 C ALA 97 17.198 13.245 6.898 1.00 0.00 ATOM 586 N ASP 98 16.892 11.985 7.181 1.00 0.00 ATOM 587 CA ASP 98 16.544 11.610 8.539 1.00 0.00 ATOM 588 CB ASP 98 16.151 10.166 8.623 1.00 0.00 ATOM 589 CG ASP 98 14.910 9.864 7.866 1.00 0.00 ATOM 590 OD1 ASP 98 14.043 10.753 7.771 1.00 0.00 ATOM 591 OD2 ASP 98 14.802 8.724 7.379 1.00 0.00 ATOM 592 O ASP 98 17.523 12.052 10.659 1.00 0.00 ATOM 593 C ASP 98 17.720 11.827 9.475 1.00 0.00 ATOM 594 N ALA 99 18.924 11.738 8.934 1.00 0.00 ATOM 595 CA ALA 99 20.149 11.731 9.750 1.00 0.00 ATOM 596 CB ALA 99 21.325 11.226 8.937 1.00 0.00 ATOM 597 O ALA 99 20.937 13.169 11.513 1.00 0.00 ATOM 598 C ALA 99 20.487 13.105 10.359 1.00 0.00 ATOM 599 N ALA 100 20.344 14.155 9.560 1.00 0.00 ATOM 600 CA ALA 100 20.355 15.553 10.049 1.00 0.00 ATOM 601 CB ALA 100 20.222 16.506 8.885 1.00 0.00 ATOM 602 O ALA 100 19.605 16.470 12.167 1.00 0.00 ATOM 603 C ALA 100 19.290 15.847 11.163 1.00 0.00 ATOM 604 N ARG 101 18.054 15.366 10.998 1.00 0.00 ATOM 605 CA ARG 101 17.076 15.467 12.063 1.00 0.00 ATOM 606 CB ARG 101 15.712 14.942 11.597 1.00 0.00 ATOM 607 CG ARG 101 14.941 15.936 10.726 1.00 0.00 ATOM 608 CD ARG 101 13.455 15.462 10.449 1.00 0.00 ATOM 609 NE ARG 101 13.348 14.355 9.457 1.00 0.00 ATOM 610 CZ ARG 101 13.474 14.518 8.128 1.00 0.00 ATOM 611 NH1 ARG 101 13.772 15.726 7.625 1.00 0.00 ATOM 612 NH2 ARG 101 13.347 13.479 7.299 1.00 0.00 ATOM 613 O ARG 101 17.276 15.135 14.438 1.00 0.00 ATOM 614 C ARG 101 17.513 14.699 13.314 1.00 0.00 ATOM 615 N LEU 102 18.111 13.533 13.115 1.00 0.00 ATOM 616 CA LEU 102 18.598 12.734 14.234 1.00 0.00 ATOM 617 CB LEU 102 19.201 11.392 13.733 1.00 0.00 ATOM 618 CG LEU 102 19.878 10.456 14.748 1.00 0.00 ATOM 619 CD1 LEU 102 18.935 10.110 15.888 1.00 0.00 ATOM 620 CD2 LEU 102 20.371 9.183 14.029 1.00 0.00 ATOM 621 O LEU 102 19.692 13.538 16.178 1.00 0.00 ATOM 622 C LEU 102 19.670 13.526 14.962 1.00 0.00 ATOM 623 N ALA 103 20.593 14.091 14.203 1.00 0.00 ATOM 624 CA ALA 103 21.687 14.890 14.780 1.00 0.00 ATOM 625 CB ALA 103 22.605 15.426 13.690 1.00 0.00 ATOM 626 O ALA 103 21.592 16.319 16.704 1.00 0.00 ATOM 627 C ALA 103 21.130 16.058 15.610 1.00 0.00 ATOM 628 N VAL 104 20.108 16.739 15.118 1.00 0.00 ATOM 629 CA VAL 104 19.510 17.873 15.885 1.00 0.00 ATOM 630 CB VAL 104 18.408 18.600 15.054 1.00 0.00 ATOM 631 CG1 VAL 104 17.642 19.671 15.910 1.00 0.00 ATOM 632 CG2 VAL 104 19.004 19.186 13.792 1.00 0.00 ATOM 633 O VAL 104 19.080 17.832 18.288 1.00 0.00 ATOM 634 C VAL 104 18.890 17.306 17.188 1.00 0.00 ATOM 635 N ARG 105 18.120 16.240 17.061 1.00 0.00 ATOM 636 CA ARG 105 17.471 15.672 18.238 1.00 0.00 ATOM 637 CB ARG 105 16.601 14.473 17.851 1.00 0.00 ATOM 638 CG ARG 105 16.301 13.597 19.055 1.00 0.00 ATOM 639 CD ARG 105 15.338 14.268 20.069 1.00 0.00 ATOM 640 NE ARG 105 14.028 13.645 19.914 1.00 0.00 ATOM 641 CZ ARG 105 13.534 12.708 20.714 1.00 0.00 ATOM 642 NH1 ARG 105 14.192 12.299 21.805 1.00 0.00 ATOM 643 NH2 ARG 105 12.350 12.212 20.428 1.00 0.00 ATOM 644 O ARG 105 18.322 15.486 20.494 1.00 0.00 ATOM 645 C ARG 105 18.525 15.268 19.298 1.00 0.00 ATOM 646 N MET 106 19.636 14.696 18.846 1.00 0.00 ATOM 647 CA MET 106 20.684 14.237 19.750 1.00 0.00 ATOM 648 CB MET 106 21.689 13.318 19.038 1.00 0.00 ATOM 649 CG MET 106 21.097 11.985 18.516 1.00 0.00 ATOM 650 SD MET 106 22.444 10.838 18.149 1.00 0.00 ATOM 651 CE MET 106 23.184 11.783 16.775 1.00 0.00 ATOM 652 O MET 106 21.551 15.348 21.662 1.00 0.00 ATOM 653 C MET 106 21.372 15.398 20.476 1.00 0.00 ATOM 654 N GLU 107 21.613 16.490 19.762 1.00 0.00 ATOM 655 CA GLU 107 22.234 17.706 20.306 1.00 0.00 ATOM 656 CB GLU 107 22.621 18.617 19.144 1.00 0.00 ATOM 657 CG GLU 107 23.784 18.041 18.250 1.00 0.00 ATOM 658 CD GLU 107 25.117 17.702 19.008 1.00 0.00 ATOM 659 OE1 GLU 107 25.376 18.164 20.156 1.00 0.00 ATOM 660 OE2 GLU 107 25.946 16.981 18.419 1.00 0.00 ATOM 661 O GLU 107 21.741 18.858 22.325 1.00 0.00 ATOM 662 C GLU 107 21.309 18.397 21.280 1.00 0.00 ATOM 663 N ASN 108 20.027 18.500 20.908 1.00 0.00 ATOM 664 CA ASN 108 18.987 19.008 21.790 1.00 0.00 ATOM 665 CB ASN 108 17.640 19.130 21.053 1.00 0.00 ATOM 666 CG ASN 108 17.595 20.326 20.093 1.00 0.00 ATOM 667 ND2 ASN 108 18.490 21.241 20.280 1.00 0.00 ATOM 668 OD1 ASN 108 16.742 20.412 19.201 1.00 0.00 ATOM 669 O ASN 108 18.734 18.759 24.135 1.00 0.00 ATOM 670 C ASN 108 18.839 18.187 23.070 1.00 0.00 ATOM 671 N ASP 109 18.835 16.854 22.980 1.00 0.00 ATOM 672 CA ASP 109 18.830 16.017 24.174 1.00 0.00 ATOM 673 CB ASP 109 18.779 14.511 23.789 1.00 0.00 ATOM 674 CG ASP 109 17.392 14.043 23.284 1.00 0.00 ATOM 675 OD1 ASP 109 16.369 14.766 23.429 1.00 0.00 ATOM 676 OD2 ASP 109 17.326 12.885 22.766 1.00 0.00 ATOM 677 O ASP 109 20.088 16.174 26.255 1.00 0.00 ATOM 678 C ASP 109 20.114 16.256 25.023 1.00 0.00 ATOM 679 N GLY 110 21.250 16.476 24.356 1.00 0.00 ATOM 680 CA GLY 110 22.502 16.761 25.063 1.00 0.00 ATOM 681 O GLY 110 22.982 18.235 26.915 1.00 0.00 ATOM 682 C GLY 110 22.470 18.120 25.781 1.00 0.00 ATOM 683 N ALA 111 21.913 19.152 25.143 1.00 0.00 ATOM 684 CA ALA 111 21.681 20.443 25.834 1.00 0.00 ATOM 685 CB ALA 111 20.982 21.453 24.907 1.00 0.00 ATOM 686 O ALA 111 21.202 20.725 28.187 1.00 0.00 ATOM 687 C ALA 111 20.850 20.254 27.104 1.00 0.00 ATOM 688 N THR 112 19.753 19.525 26.978 1.00 0.00 ATOM 689 CA THR 112 18.894 19.217 28.133 1.00 0.00 ATOM 690 CB THR 112 17.712 18.338 27.723 1.00 0.00 ATOM 691 CG2 THR 112 16.800 18.011 28.927 1.00 0.00 ATOM 692 OG1 THR 112 16.948 19.046 26.758 1.00 0.00 ATOM 693 O THR 112 19.373 18.874 30.440 1.00 0.00 ATOM 694 C THR 112 19.629 18.546 29.275 1.00 0.00 ATOM 695 N ALA 113 20.507 17.592 28.951 1.00 0.00 ATOM 696 CA ALA 113 21.261 16.849 29.975 1.00 0.00 ATOM 697 CB ALA 113 21.864 15.597 29.405 1.00 0.00 ATOM 698 O ALA 113 22.552 17.741 31.794 1.00 0.00 ATOM 699 C ALA 113 22.354 17.745 30.599 1.00 0.00 ATOM 700 N TRP 114 23.031 18.525 29.775 1.00 0.00 ATOM 701 CA TRP 114 23.989 19.507 30.276 1.00 0.00 ATOM 702 CB TRP 114 24.942 19.978 29.172 1.00 0.00 ATOM 703 CG TRP 114 25.840 18.806 28.806 1.00 0.00 ATOM 704 CD1 TRP 114 25.803 18.072 27.651 1.00 0.00 ATOM 705 CD2 TRP 114 26.848 18.216 29.629 1.00 0.00 ATOM 706 CE2 TRP 114 27.399 17.133 28.899 1.00 0.00 ATOM 707 CE3 TRP 114 27.349 18.503 30.917 1.00 0.00 ATOM 708 NE1 TRP 114 26.741 17.068 27.693 1.00 0.00 ATOM 709 CZ2 TRP 114 28.429 16.348 29.390 1.00 0.00 ATOM 710 CZ3 TRP 114 28.373 17.694 31.429 1.00 0.00 ATOM 711 CH2 TRP 114 28.899 16.626 30.666 1.00 0.00 ATOM 712 O TRP 114 24.018 21.089 32.058 1.00 0.00 ATOM 713 C TRP 114 23.405 20.659 31.080 1.00 0.00 ATOM 714 N ARG 115 22.230 21.157 30.704 1.00 0.00 ATOM 715 CA ARG 115 21.564 22.158 31.549 1.00 0.00 ATOM 716 CB ARG 115 20.273 22.649 30.907 1.00 0.00 ATOM 717 CG ARG 115 19.603 23.735 31.673 1.00 0.00 ATOM 718 CD ARG 115 18.386 24.282 30.916 1.00 0.00 ATOM 719 NE ARG 115 18.719 24.599 29.531 1.00 0.00 ATOM 720 CZ ARG 115 18.313 23.918 28.463 1.00 0.00 ATOM 721 NH1 ARG 115 17.522 22.841 28.585 1.00 0.00 ATOM 722 NH2 ARG 115 18.702 24.327 27.255 1.00 0.00 ATOM 723 O ARG 115 21.373 22.310 33.907 1.00 0.00 ATOM 724 C ARG 115 21.295 21.589 32.934 1.00 0.00 ATOM 725 N ALA 116 20.976 20.294 33.032 1.00 0.00 ATOM 726 CA ALA 116 20.790 19.683 34.366 1.00 0.00 ATOM 727 CB ALA 116 20.189 18.290 34.238 1.00 0.00 ATOM 728 O ALA 116 22.024 19.772 36.407 1.00 0.00 ATOM 729 C ALA 116 22.071 19.628 35.200 1.00 0.00 ATOM 730 N VAL 117 23.212 19.348 34.562 1.00 0.00 ATOM 731 CA VAL 117 24.501 19.414 35.268 1.00 0.00 ATOM 732 CB VAL 117 25.652 18.785 34.399 1.00 0.00 ATOM 733 CG1 VAL 117 26.989 18.878 35.129 1.00 0.00 ATOM 734 CG2 VAL 117 25.356 17.235 34.031 1.00 0.00 ATOM 735 O VAL 117 25.254 21.111 36.899 1.00 0.00 ATOM 736 C VAL 117 24.812 20.871 35.735 1.00 0.00 ATOM 737 N VAL 118 24.586 21.858 34.855 1.00 0.00 ATOM 738 CA VAL 118 24.779 23.281 35.282 1.00 0.00 ATOM 739 CB VAL 118 24.316 24.355 34.200 1.00 0.00 ATOM 740 CG1 VAL 118 24.333 25.816 34.764 1.00 0.00 ATOM 741 CG2 VAL 118 25.136 24.260 32.935 1.00 0.00 ATOM 742 O VAL 118 24.479 24.168 37.501 1.00 0.00 ATOM 743 C VAL 118 23.990 23.532 36.554 1.00 0.00 ATOM 744 N GLU 119 22.730 23.101 36.533 1.00 0.00 ATOM 745 CA GLU 119 21.807 23.345 37.619 1.00 0.00 ATOM 746 CB GLU 119 20.436 22.844 37.164 1.00 0.00 ATOM 747 CG GLU 119 19.362 23.056 38.219 1.00 0.00 ATOM 748 CD GLU 119 17.981 22.661 37.726 1.00 0.00 ATOM 749 OE1 GLU 119 17.864 22.057 36.646 1.00 0.00 ATOM 750 OE2 GLU 119 17.006 22.981 38.423 1.00 0.00 ATOM 751 O GLU 119 22.141 23.283 40.018 1.00 0.00 ATOM 752 C GLU 119 22.234 22.675 38.960 1.00 0.00 ATOM 753 N HIS 120 22.711 21.427 38.895 1.00 0.00 ATOM 754 CA HIS 120 23.045 20.652 40.109 1.00 0.00 ATOM 755 CB HIS 120 22.482 19.218 40.030 1.00 0.00 ATOM 756 CG HIS 120 20.987 19.163 39.868 1.00 0.00 ATOM 757 CD2 HIS 120 20.214 18.755 38.844 1.00 0.00 ATOM 758 ND1 HIS 120 20.120 19.585 40.855 1.00 0.00 ATOM 759 CE1 HIS 120 18.877 19.455 40.440 1.00 0.00 ATOM 760 NE2 HIS 120 18.904 18.943 39.227 1.00 0.00 ATOM 761 O HIS 120 24.898 19.992 41.449 1.00 0.00 ATOM 762 C HIS 120 24.540 20.571 40.434 1.00 0.00 ATOM 763 N ALA 121 25.401 21.158 39.604 1.00 0.00 ATOM 764 CA ALA 121 26.854 21.069 39.856 1.00 0.00 ATOM 765 CB ALA 121 27.657 21.424 38.636 1.00 0.00 ATOM 766 O ALA 121 26.932 23.193 40.905 1.00 0.00 ATOM 767 C ALA 121 27.217 21.990 40.978 1.00 0.00 ATOM 768 N GLU 122 27.882 21.439 41.996 1.00 0.00 ATOM 769 CA GLU 122 28.272 22.235 43.206 1.00 0.00 ATOM 770 CB GLU 122 28.525 21.321 44.386 1.00 0.00 ATOM 771 CG GLU 122 27.341 20.416 44.719 1.00 0.00 ATOM 772 CD GLU 122 27.359 19.963 46.133 1.00 0.00 ATOM 773 OE1 GLU 122 27.856 18.849 46.347 1.00 0.00 ATOM 774 OE2 GLU 122 26.918 20.735 47.033 1.00 0.00 ATOM 775 O GLU 122 29.486 24.295 43.545 1.00 0.00 ATOM 776 C GLU 122 29.447 23.164 42.986 1.00 0.00 ATOM 777 N THR 123 30.421 22.734 42.186 1.00 0.00 ATOM 778 CA THR 123 31.564 23.631 41.951 1.00 0.00 ATOM 779 CB THR 123 32.883 22.895 41.986 1.00 0.00 ATOM 780 CG2 THR 123 32.931 21.904 43.148 1.00 0.00 ATOM 781 OG1 THR 123 33.029 22.166 40.783 1.00 0.00 ATOM 782 O THR 123 30.911 24.089 39.655 1.00 0.00 ATOM 783 C THR 123 31.478 24.491 40.673 1.00 0.00 ATOM 784 N ALA 124 32.042 25.686 40.766 1.00 0.00 ATOM 785 CA ALA 124 32.217 26.568 39.642 1.00 0.00 ATOM 786 CB ALA 124 32.967 27.790 40.054 1.00 0.00 ATOM 787 O ALA 124 32.582 26.076 37.357 1.00 0.00 ATOM 788 C ALA 124 32.931 25.862 38.499 1.00 0.00 ATOM 789 N ASP 125 33.930 25.031 38.791 1.00 0.00 ATOM 790 CA ASP 125 34.681 24.382 37.709 1.00 0.00 ATOM 791 CB ASP 125 35.882 23.585 38.240 1.00 0.00 ATOM 792 CG ASP 125 37.040 24.468 38.643 1.00 0.00 ATOM 793 OD1 ASP 125 37.109 25.622 38.165 1.00 0.00 ATOM 794 OD2 ASP 125 37.878 24.000 39.447 1.00 0.00 ATOM 795 O ASP 125 33.833 23.446 35.651 1.00 0.00 ATOM 796 C ASP 125 33.778 23.452 36.900 1.00 0.00 ATOM 797 N ASP 126 32.971 22.665 37.613 1.00 0.00 ATOM 798 CA ASP 126 32.054 21.718 36.960 1.00 0.00 ATOM 799 CB ASP 126 31.525 20.689 37.944 1.00 0.00 ATOM 800 CG ASP 126 32.604 19.746 38.427 1.00 0.00 ATOM 801 OD1 ASP 126 33.751 19.871 37.943 1.00 0.00 ATOM 802 OD2 ASP 126 32.305 18.863 39.276 1.00 0.00 ATOM 803 O ASP 126 30.481 21.981 35.187 1.00 0.00 ATOM 804 C ASP 126 30.898 22.420 36.256 1.00 0.00 ATOM 805 N ARG 127 30.378 23.495 36.840 1.00 0.00 ATOM 806 CA ARG 127 29.373 24.293 36.137 1.00 0.00 ATOM 807 CB ARG 127 28.773 25.385 37.016 1.00 0.00 ATOM 808 CG ARG 127 27.991 24.881 38.174 1.00 0.00 ATOM 809 CD ARG 127 27.223 26.044 38.763 1.00 0.00 ATOM 810 NE ARG 127 28.038 27.172 39.206 1.00 0.00 ATOM 811 CZ ARG 127 28.677 27.222 40.374 1.00 0.00 ATOM 812 NH1 ARG 127 28.627 26.177 41.215 1.00 0.00 ATOM 813 NH2 ARG 127 29.367 28.316 40.706 1.00 0.00 ATOM 814 O ARG 127 29.170 25.057 33.888 1.00 0.00 ATOM 815 C ARG 127 29.901 24.963 34.878 1.00 0.00 ATOM 816 N VAL 128 31.131 25.476 34.913 1.00 0.00 ATOM 817 CA VAL 128 31.712 26.026 33.697 1.00 0.00 ATOM 818 CB VAL 128 33.028 26.833 33.925 1.00 0.00 ATOM 819 CG1 VAL 128 33.771 27.109 32.606 1.00 0.00 ATOM 820 CG2 VAL 128 32.720 28.160 34.619 1.00 0.00 ATOM 821 O VAL 128 31.540 25.234 31.471 1.00 0.00 ATOM 822 C VAL 128 31.850 24.954 32.617 1.00 0.00 ATOM 823 N PHE 129 32.267 23.741 32.980 1.00 0.00 ATOM 824 CA PHE 129 32.445 22.642 32.025 1.00 0.00 ATOM 825 CB PHE 129 33.103 21.443 32.712 1.00 0.00 ATOM 826 CG PHE 129 33.220 20.205 31.824 1.00 0.00 ATOM 827 CD1 PHE 129 34.408 19.925 31.156 1.00 0.00 ATOM 828 CD2 PHE 129 32.142 19.335 31.650 1.00 0.00 ATOM 829 CE1 PHE 129 34.529 18.788 30.345 1.00 0.00 ATOM 830 CE2 PHE 129 32.254 18.203 30.823 1.00 0.00 ATOM 831 CZ PHE 129 33.454 17.934 30.179 1.00 0.00 ATOM 832 O PHE 129 30.999 22.029 30.168 1.00 0.00 ATOM 833 C PHE 129 31.102 22.253 31.401 1.00 0.00 ATOM 834 N ALA 130 30.072 22.191 32.259 1.00 0.00 ATOM 835 CA ALA 130 28.746 21.777 31.837 1.00 0.00 ATOM 836 CB ALA 130 27.834 21.546 33.046 1.00 0.00 ATOM 837 O ALA 130 27.541 22.540 29.929 1.00 0.00 ATOM 838 C ALA 130 28.163 22.864 30.913 1.00 0.00 ATOM 839 N SER 131 28.369 24.148 31.252 1.00 0.00 ATOM 840 CA SER 131 27.883 25.204 30.411 1.00 0.00 ATOM 841 CB SER 131 27.878 26.572 31.104 1.00 0.00 ATOM 842 OG SER 131 29.141 27.220 31.026 1.00 0.00 ATOM 843 O SER 131 27.932 25.581 28.074 1.00 0.00 ATOM 844 C SER 131 28.578 25.263 29.063 1.00 0.00 ATOM 845 N THR 132 29.871 24.995 29.009 1.00 0.00 ATOM 846 CA THR 132 30.587 24.828 27.744 1.00 0.00 ATOM 847 CB THR 132 32.077 24.631 28.026 1.00 0.00 ATOM 848 CG2 THR 132 32.858 24.367 26.746 1.00 0.00 ATOM 849 OG1 THR 132 32.565 25.833 28.639 1.00 0.00 ATOM 850 O THR 132 29.718 23.865 25.652 1.00 0.00 ATOM 851 C THR 132 30.010 23.671 26.874 1.00 0.00 ATOM 852 N ALA 133 29.788 22.513 27.514 1.00 0.00 ATOM 853 CA ALA 133 29.142 21.366 26.884 1.00 0.00 ATOM 854 CB ALA 133 29.132 20.178 27.834 1.00 0.00 ATOM 855 O ALA 133 27.316 21.309 25.304 1.00 0.00 ATOM 856 C ALA 133 27.722 21.715 26.412 1.00 0.00 ATOM 857 N LEU 134 26.983 22.481 27.220 1.00 0.00 ATOM 858 CA LEU 134 25.640 22.874 26.857 1.00 0.00 ATOM 859 CB LEU 134 25.010 23.634 28.030 1.00 0.00 ATOM 860 CG LEU 134 23.504 23.894 28.197 1.00 0.00 ATOM 861 CD1 LEU 134 23.313 25.008 29.144 1.00 0.00 ATOM 862 CD2 LEU 134 22.773 24.205 26.948 1.00 0.00 ATOM 863 O LEU 134 24.874 23.610 24.649 1.00 0.00 ATOM 864 C LEU 134 25.656 23.789 25.598 1.00 0.00 ATOM 865 N THR 135 26.538 24.780 25.635 1.00 0.00 ATOM 866 CA THR 135 26.695 25.730 24.530 1.00 0.00 ATOM 867 CB THR 135 27.667 26.811 24.913 1.00 0.00 ATOM 868 CG2 THR 135 28.011 27.697 23.716 1.00 0.00 ATOM 869 OG1 THR 135 27.078 27.604 25.964 1.00 0.00 ATOM 870 O THR 135 26.610 25.360 22.156 1.00 0.00 ATOM 871 C THR 135 27.149 25.048 23.236 1.00 0.00 ATOM 872 N GLU 136 28.101 24.125 23.343 1.00 0.00 ATOM 873 CA GLU 136 28.557 23.352 22.181 1.00 0.00 ATOM 874 CB GLU 136 29.751 22.464 22.525 1.00 0.00 ATOM 875 CG GLU 136 31.006 23.318 22.829 1.00 0.00 ATOM 876 CD GLU 136 32.173 22.492 23.334 1.00 0.00 ATOM 877 OE1 GLU 136 32.000 21.304 23.696 1.00 0.00 ATOM 878 OE2 GLU 136 33.291 23.026 23.370 1.00 0.00 ATOM 879 O GLU 136 27.422 22.426 20.287 1.00 0.00 ATOM 880 C GLU 136 27.450 22.509 21.523 1.00 0.00 ATOM 881 N SER 137 26.615 21.873 22.362 1.00 0.00 ATOM 882 CA SER 137 25.463 21.058 21.960 1.00 0.00 ATOM 883 CB SER 137 24.766 20.472 23.207 1.00 0.00 ATOM 884 OG SER 137 25.571 19.535 23.902 1.00 0.00 ATOM 885 O SER 137 23.985 21.595 20.141 1.00 0.00 ATOM 886 C SER 137 24.471 21.952 21.197 1.00 0.00 ATOM 887 N ALA 138 24.166 23.112 21.764 1.00 0.00 ATOM 888 CA ALA 138 23.342 24.151 21.102 1.00 0.00 ATOM 889 CB ALA 138 23.149 25.292 22.033 1.00 0.00 ATOM 890 O ALA 138 23.134 24.920 18.859 1.00 0.00 ATOM 891 C ALA 138 23.889 24.691 19.782 1.00 0.00 ATOM 892 N VAL 139 25.181 24.987 19.717 1.00 0.00 ATOM 893 CA VAL 139 25.809 25.431 18.475 1.00 0.00 ATOM 894 CB VAL 139 27.223 25.946 18.750 1.00 0.00 ATOM 895 CG1 VAL 139 28.031 26.030 17.471 1.00 0.00 ATOM 896 CG2 VAL 139 27.160 27.355 19.488 1.00 0.00 ATOM 897 O VAL 139 25.377 24.428 16.290 1.00 0.00 ATOM 898 C VAL 139 25.758 24.249 17.469 1.00 0.00 ATOM 899 N MET 140 26.035 23.026 17.928 1.00 0.00 ATOM 900 CA MET 140 25.926 21.859 17.016 1.00 0.00 ATOM 901 CB MET 140 26.370 20.544 17.671 1.00 0.00 ATOM 902 CG MET 140 27.881 20.232 17.605 1.00 0.00 ATOM 903 SD MET 140 28.688 20.247 15.955 1.00 0.00 ATOM 904 CE MET 140 27.436 19.625 15.040 1.00 0.00 ATOM 905 O MET 140 24.424 21.419 15.189 1.00 0.00 ATOM 906 C MET 140 24.537 21.679 16.402 1.00 0.00 ATOM 907 N ALA 141 23.493 21.762 17.233 1.00 0.00 ATOM 908 CA ALA 141 22.088 21.723 16.778 1.00 0.00 ATOM 909 CB ALA 141 21.074 21.791 17.993 1.00 0.00 ATOM 910 O ALA 141 21.103 22.541 14.743 1.00 0.00 ATOM 911 C ALA 141 21.785 22.815 15.750 1.00 0.00 ATOM 912 N THR 142 22.256 24.053 15.975 1.00 0.00 ATOM 913 CA THR 142 21.953 25.094 15.012 1.00 0.00 ATOM 914 CB THR 142 22.382 26.541 15.466 1.00 0.00 ATOM 915 CG2 THR 142 21.924 26.850 16.851 1.00 0.00 ATOM 916 OG1 THR 142 23.806 26.630 15.432 1.00 0.00 ATOM 917 O THR 142 22.124 25.078 12.611 1.00 0.00 ATOM 918 C THR 142 22.655 24.784 13.672 1.00 0.00 ATOM 919 N ARG 143 23.877 24.257 13.726 1.00 0.00 ATOM 920 CA ARG 143 24.589 23.857 12.504 1.00 0.00 ATOM 921 CB ARG 143 26.013 23.391 12.847 1.00 0.00 ATOM 922 CG ARG 143 26.815 24.514 13.390 1.00 0.00 ATOM 923 CD ARG 143 28.272 24.156 13.789 1.00 0.00 ATOM 924 NE ARG 143 29.047 23.798 12.599 1.00 0.00 ATOM 925 CZ ARG 143 30.179 23.080 12.582 1.00 0.00 ATOM 926 NH1 ARG 143 30.735 22.594 13.710 1.00 0.00 ATOM 927 NH2 ARG 143 30.764 22.829 11.406 1.00 0.00 ATOM 928 O ARG 143 23.828 22.798 10.480 1.00 0.00 ATOM 929 C ARG 143 23.862 22.749 11.691 1.00 0.00 ATOM 930 N TRP 144 23.282 21.769 12.357 1.00 0.00 ATOM 931 CA TRP 144 22.499 20.734 11.671 1.00 0.00 ATOM 932 CB TRP 144 22.318 19.498 12.562 1.00 0.00 ATOM 933 CG TRP 144 23.547 18.668 12.634 1.00 0.00 ATOM 934 CD1 TRP 144 24.452 18.602 13.670 1.00 0.00 ATOM 935 CD2 TRP 144 24.020 17.752 11.618 1.00 0.00 ATOM 936 CE2 TRP 144 25.220 17.165 12.105 1.00 0.00 ATOM 937 CE3 TRP 144 23.535 17.367 10.349 1.00 0.00 ATOM 938 NE1 TRP 144 25.472 17.709 13.348 1.00 0.00 ATOM 939 CZ2 TRP 144 25.964 16.200 11.354 1.00 0.00 ATOM 940 CZ3 TRP 144 24.281 16.400 9.600 1.00 0.00 ATOM 941 CH2 TRP 144 25.481 15.845 10.118 1.00 0.00 ATOM 942 O TRP 144 20.675 20.771 10.129 1.00 0.00 ATOM 943 C TRP 144 21.146 21.231 11.158 1.00 0.00 ATOM 944 N ASN 145 20.544 22.195 11.872 1.00 0.00 ATOM 945 CA ASN 145 19.329 22.846 11.441 1.00 0.00 ATOM 946 CB ASN 145 18.796 23.723 12.556 1.00 0.00 ATOM 947 CG ASN 145 17.764 23.021 13.417 1.00 0.00 ATOM 948 ND2 ASN 145 16.791 22.371 12.762 1.00 0.00 ATOM 949 OD1 ASN 145 17.816 23.087 14.682 1.00 0.00 ATOM 950 O ASN 145 18.679 23.825 9.343 1.00 0.00 ATOM 951 C ASN 145 19.559 23.700 10.188 1.00 0.00 ATOM 952 N ARG 146 20.742 24.298 10.102 1.00 0.00 ATOM 953 CA ARG 146 21.162 25.033 8.936 1.00 0.00 ATOM 954 CB ARG 146 22.459 25.781 9.238 1.00 0.00 ATOM 955 CG ARG 146 22.873 26.783 8.217 1.00 0.00 ATOM 956 CD ARG 146 23.931 27.718 8.863 1.00 0.00 ATOM 957 NE ARG 146 23.325 28.613 9.866 1.00 0.00 ATOM 958 CZ ARG 146 23.841 28.909 11.072 1.00 0.00 ATOM 959 NH1 ARG 146 24.985 28.385 11.490 1.00 0.00 ATOM 960 NH2 ARG 146 23.180 29.731 11.876 1.00 0.00 ATOM 961 O ARG 146 20.989 24.393 6.625 1.00 0.00 ATOM 962 C ARG 146 21.350 24.064 7.749 1.00 0.00 ATOM 963 N VAL 147 21.897 22.872 8.005 1.00 0.00 ATOM 964 CA VAL 147 21.906 21.819 6.992 1.00 0.00 ATOM 965 CB VAL 147 22.722 20.568 7.484 1.00 0.00 ATOM 966 CG1 VAL 147 22.615 19.414 6.469 1.00 0.00 ATOM 967 CG2 VAL 147 24.196 20.958 7.670 1.00 0.00 ATOM 968 O VAL 147 20.197 21.470 5.305 1.00 0.00 ATOM 969 C VAL 147 20.481 21.452 6.515 1.00 0.00 ATOM 970 N LEU 148 19.566 21.114 7.433 1.00 0.00 ATOM 971 CA LEU 148 18.167 20.799 7.042 1.00 0.00 ATOM 972 CB LEU 148 17.287 20.580 8.279 1.00 0.00 ATOM 973 CG LEU 148 17.503 19.236 8.968 1.00 0.00 ATOM 974 CD1 LEU 148 16.731 19.190 10.299 1.00 0.00 ATOM 975 CD2 LEU 148 17.052 18.120 8.018 1.00 0.00 ATOM 976 O LEU 148 16.905 21.615 5.215 1.00 0.00 ATOM 977 C LEU 148 17.534 21.900 6.211 1.00 0.00 ATOM 978 N GLY 149 17.647 23.158 6.680 1.00 0.00 ATOM 979 CA GLY 149 17.070 24.345 6.013 1.00 0.00 ATOM 980 O GLY 149 16.877 25.257 3.818 1.00 0.00 ATOM 981 C GLY 149 17.556 24.601 4.593 1.00 0.00 ATOM 982 N ALA 150 18.762 24.133 4.272 1.00 0.00 ATOM 983 CA ALA 150 19.321 24.139 2.921 1.00 0.00 ATOM 984 CB ALA 150 20.871 24.221 2.998 1.00 0.00 ATOM 985 O ALA 150 19.201 22.866 0.847 1.00 0.00 ATOM 986 C ALA 150 18.905 22.917 2.063 1.00 0.00 ATOM 987 N TRP 151 18.241 21.934 2.663 1.00 0.00 ATOM 988 CA TRP 151 17.725 20.855 1.859 1.00 0.00 ATOM 989 CB TRP 151 17.923 19.507 2.536 1.00 0.00 ATOM 990 CG TRP 151 19.342 19.119 2.704 1.00 0.00 ATOM 991 CD1 TRP 151 20.413 19.605 2.031 1.00 0.00 ATOM 992 CD2 TRP 151 19.826 18.064 3.562 1.00 0.00 ATOM 993 CE2 TRP 151 21.227 18.026 3.417 1.00 0.00 ATOM 994 CE3 TRP 151 19.207 17.189 4.467 1.00 0.00 ATOM 995 NE1 TRP 151 21.556 18.966 2.463 1.00 0.00 ATOM 996 CZ2 TRP 151 22.029 17.108 4.103 1.00 0.00 ATOM 997 CZ3 TRP 151 20.030 16.243 5.191 1.00 0.00 ATOM 998 CH2 TRP 151 21.416 16.234 4.995 1.00 0.00 ATOM 999 O TRP 151 15.575 21.737 2.333 1.00 0.00 ATOM 1000 C TRP 151 16.245 21.049 1.574 1.00 0.00 ATOM 1001 N PRO 152 15.722 20.395 0.533 1.00 0.00 ATOM 1002 CA PRO 152 14.266 20.572 0.266 1.00 0.00 ATOM 1003 CB PRO 152 14.002 19.774 -1.009 1.00 0.00 ATOM 1004 CG PRO 152 15.300 19.169 -1.461 1.00 0.00 ATOM 1005 CD PRO 152 16.375 19.446 -0.377 1.00 0.00 ATOM 1006 O PRO 152 13.648 19.078 2.117 1.00 0.00 ATOM 1007 C PRO 152 13.384 20.102 1.469 1.00 0.00 ATOM 1008 N ILE 153 12.415 20.918 1.843 1.00 0.00 ATOM 1009 CA ILE 153 11.445 20.497 2.878 1.00 0.00 ATOM 1010 CB ILE 153 10.841 21.682 3.654 1.00 0.00 ATOM 1011 CG1 ILE 153 11.957 22.642 4.171 1.00 0.00 ATOM 1012 CG2 ILE 153 9.856 21.188 4.753 1.00 0.00 ATOM 1013 CD1 ILE 153 13.032 22.056 5.078 1.00 0.00 ATOM 1014 O ILE 153 9.838 20.215 1.155 1.00 0.00 ATOM 1015 C ILE 153 10.393 19.730 2.150 1.00 0.00 ATOM 1016 N THR 154 10.126 18.513 2.571 1.00 0.00 ATOM 1017 CA THR 154 8.994 17.819 1.914 1.00 0.00 ATOM 1018 CB THR 154 9.507 16.732 0.999 1.00 0.00 ATOM 1019 CG2 THR 154 10.303 17.354 -0.157 1.00 0.00 ATOM 1020 OG1 THR 154 10.398 15.909 1.768 1.00 0.00 ATOM 1021 O THR 154 7.709 16.014 2.891 1.00 0.00 ATOM 1022 C THR 154 7.977 17.235 2.907 1.00 0.00 ATOM 1023 N ALA 155 7.418 18.105 3.759 1.00 0.00 ATOM 1024 CA ALA 155 6.271 17.756 4.643 1.00 0.00 ATOM 1025 CB ALA 155 5.710 19.007 5.301 1.00 0.00 ATOM 1026 O ALA 155 4.746 17.383 2.810 1.00 0.00 ATOM 1027 C ALA 155 5.149 16.998 3.911 1.00 0.00 ATOM 1028 N ALA 156 4.659 15.912 4.513 1.00 0.00 ATOM 1029 CA ALA 156 3.448 15.228 3.988 1.00 0.00 ATOM 1030 CB ALA 156 3.139 13.990 4.826 1.00 0.00 ATOM 1031 O ALA 156 2.143 16.975 4.964 1.00 0.00 ATOM 1032 C ALA 156 2.252 16.184 4.037 1.00 0.00 ATOM 1033 N PHE 157 1.383 16.138 3.034 1.00 0.00 ATOM 1034 CA PHE 157 0.077 16.807 3.144 1.00 0.00 ATOM 1035 CB PHE 157 -0.764 16.585 1.907 1.00 0.00 ATOM 1036 CG PHE 157 -0.733 17.715 0.961 1.00 0.00 ATOM 1037 CD1 PHE 157 0.464 18.162 0.453 1.00 0.00 ATOM 1038 CD2 PHE 157 -1.914 18.325 0.543 1.00 0.00 ATOM 1039 CE1 PHE 157 0.509 19.210 -0.453 1.00 0.00 ATOM 1040 CE2 PHE 157 -1.874 19.376 -0.360 1.00 0.00 ATOM 1041 CZ PHE 157 -0.634 19.818 -0.859 1.00 0.00 ATOM 1042 O PHE 157 -0.667 15.042 4.522 1.00 0.00 ATOM 1043 C PHE 157 -0.647 16.254 4.360 1.00 0.00 ATOM 1044 N PRO 158 -1.209 17.151 5.188 1.00 0.00 ATOM 1045 CA PRO 158 -1.784 16.826 6.498 1.00 0.00 ATOM 1046 CB PRO 158 -1.970 18.117 7.272 1.00 0.00 ATOM 1047 O PRO 158 -3.445 15.360 5.451 1.00 0.00 ATOM 1048 C PRO 158 -3.109 16.035 6.486 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_110939440.pdb -s /var/tmp/to_scwrl_110939440.seq -o /var/tmp/from_scwrl_110939440.pdb > /var/tmp/scwrl_110939440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110939440.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -53.697 # GDT_score(maxd=8.000,maxw=2.900)= -53.530 # GDT_score(maxd=8.000,maxw=3.200)= -51.050 # GDT_score(maxd=8.000,maxw=3.500)= -48.542 # GDT_score(maxd=10.000,maxw=3.800)= -52.155 # GDT_score(maxd=10.000,maxw=4.000)= -50.438 # GDT_score(maxd=10.000,maxw=4.200)= -48.724 # GDT_score(maxd=12.000,maxw=4.300)= -52.720 # GDT_score(maxd=12.000,maxw=4.500)= -50.998 # GDT_score(maxd=12.000,maxw=4.700)= -49.357 # GDT_score(maxd=14.000,maxw=5.200)= -49.298 # GDT_score(maxd=14.000,maxw=5.500)= -47.118 # command:# request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1255522981.pdb -s /var/tmp/to_scwrl_1255522981.seq -o /var/tmp/from_scwrl_1255522981.pdb > /var/tmp/scwrl_1255522981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255522981.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 126 # 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 = -70.070 # GDT_score(maxd=8.000,maxw=2.900)= -74.250 # GDT_score(maxd=8.000,maxw=3.200)= -70.300 # GDT_score(maxd=8.000,maxw=3.500)= -66.411 # GDT_score(maxd=10.000,maxw=3.800)= -69.191 # GDT_score(maxd=10.000,maxw=4.000)= -66.727 # GDT_score(maxd=10.000,maxw=4.200)= -64.361 # GDT_score(maxd=12.000,maxw=4.300)= -68.224 # GDT_score(maxd=12.000,maxw=4.500)= -65.935 # GDT_score(maxd=12.000,maxw=4.700)= -63.757 # GDT_score(maxd=14.000,maxw=5.200)= -62.566 # GDT_score(maxd=14.000,maxw=5.500)= -59.735 # command:# request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_339873094.pdb -s /var/tmp/to_scwrl_339873094.seq -o /var/tmp/from_scwrl_339873094.pdb > /var/tmp/scwrl_339873094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_339873094.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -77.113 # GDT_score(maxd=8.000,maxw=2.900)= -82.683 # GDT_score(maxd=8.000,maxw=3.200)= -78.448 # GDT_score(maxd=8.000,maxw=3.500)= -74.200 # GDT_score(maxd=10.000,maxw=3.800)= -76.519 # GDT_score(maxd=10.000,maxw=4.000)= -73.973 # GDT_score(maxd=10.000,maxw=4.200)= -71.575 # GDT_score(maxd=12.000,maxw=4.300)= -75.090 # GDT_score(maxd=12.000,maxw=4.500)= -72.791 # GDT_score(maxd=12.000,maxw=4.700)= -70.537 # GDT_score(maxd=14.000,maxw=5.200)= -68.822 # GDT_score(maxd=14.000,maxw=5.500)= -65.698 # command:# request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1453529387.pdb -s /var/tmp/to_scwrl_1453529387.seq -o /var/tmp/from_scwrl_1453529387.pdb > /var/tmp/scwrl_1453529387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1453529387.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 152 # 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 = -67.254 # GDT_score(maxd=8.000,maxw=2.900)= -66.174 # GDT_score(maxd=8.000,maxw=3.200)= -63.714 # GDT_score(maxd=8.000,maxw=3.500)= -61.053 # GDT_score(maxd=10.000,maxw=3.800)= -64.333 # GDT_score(maxd=10.000,maxw=4.000)= -62.484 # GDT_score(maxd=10.000,maxw=4.200)= -60.566 # GDT_score(maxd=12.000,maxw=4.300)= -64.367 # GDT_score(maxd=12.000,maxw=4.500)= -62.451 # GDT_score(maxd=12.000,maxw=4.700)= -60.514 # GDT_score(maxd=14.000,maxw=5.200)= -59.694 # GDT_score(maxd=14.000,maxw=5.500)= -57.069 # command:# request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_865981270.pdb -s /var/tmp/to_scwrl_865981270.seq -o /var/tmp/from_scwrl_865981270.pdb > /var/tmp/scwrl_865981270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865981270.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 T0385.try1-opt2.pdb looking for model 1 # Found a chain break before 158 # 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 = -44.014 # GDT_score(maxd=8.000,maxw=2.900)= -43.950 # GDT_score(maxd=8.000,maxw=3.200)= -42.530 # GDT_score(maxd=8.000,maxw=3.500)= -41.052 # GDT_score(maxd=10.000,maxw=3.800)= -43.437 # GDT_score(maxd=10.000,maxw=4.000)= -42.415 # GDT_score(maxd=10.000,maxw=4.200)= -41.360 # GDT_score(maxd=12.000,maxw=4.300)= -44.512 # GDT_score(maxd=12.000,maxw=4.500)= -43.411 # GDT_score(maxd=12.000,maxw=4.700)= -42.280 # GDT_score(maxd=14.000,maxw=5.200)= -42.851 # GDT_score(maxd=14.000,maxw=5.500)= -41.181 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0385.try1-real.pdb for output Error: Couldn't open file T0385.try1-real.pdb for output superimposing iter= 0 total_weight= 1616 rmsd (weighted)= 9.27856 (unweighted)= 32.4889 superimposing iter= 1 total_weight= 2569.6 rmsd (weighted)= 5.62909 (unweighted)= 32.5416 superimposing iter= 2 total_weight= 1615.31 rmsd (weighted)= 4.34272 (unweighted)= 32.7374 superimposing iter= 3 total_weight= 1530.62 rmsd (weighted)= 3.41345 (unweighted)= 32.9907 superimposing iter= 4 total_weight= 1627.71 rmsd (weighted)= 2.59406 (unweighted)= 33.1872 superimposing iter= 5 total_weight= 1716.77 rmsd (weighted)= 1.94365 (unweighted)= 33.2906 EXPDTA T0385.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0385.try1-opt2.pdb ATOM 1 N MET A 1 28.347 2.425 43.163 1.00 0.00 ATOM 2 CA MET A 1 29.004 2.912 44.369 1.00 0.00 ATOM 3 CB MET A 1 29.901 1.814 44.966 1.00 0.00 ATOM 4 CG MET A 1 30.611 0.997 43.888 1.00 0.00 ATOM 5 SD MET A 1 31.858 -0.298 44.594 1.00 0.00 ATOM 6 CE MET A 1 32.601 0.741 45.891 1.00 0.00 ATOM 7 O MET A 1 30.351 4.400 43.040 1.00 0.00 ATOM 8 C MET A 1 29.790 4.199 44.121 1.00 0.00 ATOM 9 N THR A 2 29.808 5.068 45.131 1.00 0.00 ATOM 10 CA THR A 2 30.523 6.342 45.068 1.00 0.00 ATOM 11 CB THR A 2 29.553 7.525 44.877 1.00 0.00 ATOM 12 CG2 THR A 2 30.324 8.831 44.771 1.00 0.00 ATOM 13 OG1 THR A 2 28.794 7.334 43.679 1.00 0.00 ATOM 14 O THR A 2 30.696 6.748 47.417 1.00 0.00 ATOM 15 C THR A 2 31.292 6.546 46.366 1.00 0.00 ATOM 16 N SER A 3 32.616 6.498 46.291 1.00 0.00 ATOM 17 CA SER A 3 33.456 6.639 47.478 1.00 0.00 ATOM 18 CB SER A 3 34.671 5.714 47.386 1.00 0.00 ATOM 19 OG SER A 3 35.507 6.075 46.299 1.00 0.00 ATOM 20 O SER A 3 34.714 8.249 48.708 1.00 0.00 ATOM 21 C SER A 3 34.018 8.032 47.719 1.00 0.00 ATOM 22 N SER A 4 33.744 8.968 46.816 1.00 0.00 ATOM 23 CA SER A 4 34.291 10.299 46.973 1.00 0.00 ATOM 24 CB SER A 4 34.378 10.678 48.463 1.00 0.00 ATOM 25 OG SER A 4 35.468 10.024 49.093 1.00 0.00 ATOM 26 O SER A 4 36.289 9.359 46.034 1.00 0.00 ATOM 27 C SER A 4 35.783 10.289 46.665 1.00 0.00 ATOM 28 N GLU A 5 36.438 11.438 47.147 1.00 0.00 ATOM 29 CA GLU A 5 37.887 11.491 46.974 1.00 0.00 ATOM 30 CB GLU A 5 38.243 12.109 45.621 1.00 0.00 ATOM 31 CG GLU A 5 39.736 12.261 45.382 1.00 0.00 ATOM 32 CD GLU A 5 40.441 10.929 45.227 1.00 0.00 ATOM 33 OE1 GLU A 5 39.750 9.888 45.220 1.00 0.00 ATOM 34 OE2 GLU A 5 41.684 10.925 45.111 1.00 0.00 ATOM 35 O GLU A 5 38.467 13.627 47.886 1.00 0.00 ATOM 36 C GLU A 5 38.630 12.401 47.917 1.00 0.00 ATOM 37 N PRO A 6 39.565 11.771 48.705 1.00 0.00 ATOM 38 CA PRO A 6 40.359 12.462 49.677 1.00 0.00 ATOM 39 CB PRO A 6 41.276 11.395 50.267 1.00 0.00 ATOM 40 CG PRO A 6 40.582 10.115 50.016 1.00 0.00 ATOM 41 CD PRO A 6 39.761 10.288 48.770 1.00 0.00 ATOM 42 O PRO A 6 41.517 14.544 49.506 1.00 0.00 ATOM 43 C PRO A 6 41.290 13.450 48.999 1.00 0.00 ATOM 44 N ALA A 7 41.837 13.050 47.857 1.00 0.00 ATOM 45 CA ALA A 7 42.745 13.914 47.113 1.00 0.00 ATOM 46 CB ALA A 7 43.227 13.216 45.852 1.00 0.00 ATOM 47 O ALA A 7 42.596 16.288 46.856 1.00 0.00 ATOM 48 C ALA A 7 42.039 15.201 46.711 1.00 0.00 ATOM 49 N HIS A 8 40.763 15.054 46.158 1.00 0.00 ATOM 50 CA HIS A 8 40.002 16.222 45.721 1.00 0.00 ATOM 51 CB HIS A 8 39.068 15.853 44.568 1.00 0.00 ATOM 52 CG HIS A 8 39.783 15.472 43.310 1.00 0.00 ATOM 53 CD2 HIS A 8 40.034 14.230 42.593 1.00 0.00 ATOM 54 ND1 HIS A 8 40.419 16.394 42.506 1.00 0.00 ATOM 55 CE1 HIS A 8 40.967 15.756 41.456 1.00 0.00 ATOM 56 NE2 HIS A 8 40.740 14.457 41.502 1.00 0.00 ATOM 57 O HIS A 8 38.381 17.751 46.578 1.00 0.00 ATOM 58 C HIS A 8 39.148 16.827 46.826 1.00 0.00 ATOM 59 N GLY A 9 39.299 16.320 48.047 1.00 0.00 ATOM 60 CA GLY A 9 38.553 16.830 49.195 1.00 0.00 ATOM 61 O GLY A 9 36.430 17.963 49.052 1.00 0.00 ATOM 62 C GLY A 9 37.064 16.916 48.865 1.00 0.00 ATOM 63 N ALA A 10 36.515 15.813 48.365 1.00 0.00 ATOM 64 CA ALA A 10 35.108 15.748 47.991 1.00 0.00 ATOM 65 CB ALA A 10 34.964 15.554 46.489 1.00 0.00 ATOM 66 O ALA A 10 34.749 13.413 48.398 1.00 0.00 ATOM 67 C ALA A 10 34.478 14.568 48.725 1.00 0.00 ATOM 68 N THR A 11 33.633 14.776 49.834 1.00 0.00 ATOM 69 CA THR A 11 32.954 13.699 50.552 1.00 0.00 ATOM 70 CB THR A 11 32.136 14.241 51.738 1.00 0.00 ATOM 71 CG2 THR A 11 33.042 14.955 52.729 1.00 0.00 ATOM 72 OG1 THR A 11 31.150 15.165 51.260 1.00 0.00 ATOM 73 O THR A 11 31.449 13.535 48.679 1.00 0.00 ATOM 74 C THR A 11 31.980 12.960 49.632 1.00 0.00 ATOM 75 N PRO A 12 31.750 11.689 49.935 1.00 0.00 ATOM 76 CA PRO A 12 30.872 10.839 49.135 1.00 0.00 ATOM 77 CB PRO A 12 30.670 9.608 49.986 1.00 0.00 ATOM 78 CG PRO A 12 31.882 9.577 50.835 1.00 0.00 ATOM 79 CD PRO A 12 32.128 10.994 51.202 1.00 0.00 ATOM 80 O PRO A 12 28.894 11.230 47.852 1.00 0.00 ATOM 81 C PRO A 12 29.480 11.394 48.924 1.00 0.00 ATOM 82 N LYS A 13 28.967 12.084 49.931 1.00 0.00 ATOM 83 CA LYS A 13 27.623 12.621 49.834 1.00 0.00 ATOM 84 CB LYS A 13 27.216 13.283 51.153 1.00 0.00 ATOM 85 CG LYS A 13 25.795 13.822 51.163 1.00 0.00 ATOM 86 CD LYS A 13 25.428 14.386 52.526 1.00 0.00 ATOM 87 CE LYS A 13 24.020 14.957 52.528 1.00 0.00 ATOM 88 NZ LYS A 13 23.667 15.564 53.841 1.00 0.00 ATOM 89 O LYS A 13 26.638 13.631 47.894 1.00 0.00 ATOM 90 C LYS A 13 27.545 13.663 48.726 1.00 0.00 ATOM 91 N ARG A 14 28.495 14.701 48.632 1.00 0.00 ATOM 92 CA ARG A 14 28.452 15.756 47.631 1.00 0.00 ATOM 93 CB ARG A 14 29.162 16.999 48.065 1.00 0.00 ATOM 94 CG ARG A 14 29.027 18.141 47.075 1.00 0.00 ATOM 95 CD ARG A 14 29.723 19.402 47.548 1.00 0.00 ATOM 96 NE ARG A 14 29.448 20.518 46.649 1.00 0.00 ATOM 97 CZ ARG A 14 29.952 21.738 46.793 1.00 0.00 ATOM 98 NH1 ARG A 14 30.767 22.005 47.804 1.00 0.00 ATOM 99 NH2 ARG A 14 29.637 22.693 45.927 1.00 0.00 ATOM 100 O ARG A 14 28.304 15.560 45.220 1.00 0.00 ATOM 101 C ARG A 14 28.880 15.212 46.256 1.00 0.00 ATOM 102 N SER A 15 29.879 14.336 46.261 1.00 0.00 ATOM 103 CA SER A 15 30.392 13.737 45.036 1.00 0.00 ATOM 104 CB SER A 15 31.527 12.762 45.351 1.00 0.00 ATOM 105 OG SER A 15 32.655 13.440 45.873 1.00 0.00 ATOM 106 O SER A 15 29.193 13.057 43.063 1.00 0.00 ATOM 107 C SER A 15 29.309 12.964 44.289 1.00 0.00 ATOM 108 N PRO A 16 28.422 12.196 45.045 1.00 0.00 ATOM 109 CA PRO A 16 27.351 11.423 44.434 1.00 0.00 ATOM 110 CB PRO A 16 26.726 10.706 45.639 1.00 0.00 ATOM 111 CG PRO A 16 27.916 10.460 46.530 1.00 0.00 ATOM 112 CD PRO A 16 28.649 11.795 46.450 1.00 0.00 ATOM 113 O PRO A 16 25.750 11.828 42.706 1.00 0.00 ATOM 114 C PRO A 16 26.344 12.278 43.691 1.00 0.00 ATOM 115 N SER A 17 26.130 13.498 44.175 1.00 0.00 ATOM 116 CA SER A 17 25.200 14.414 43.522 1.00 0.00 ATOM 117 CB SER A 17 25.050 15.698 44.340 1.00 0.00 ATOM 118 OG SER A 17 24.440 15.436 45.592 1.00 0.00 ATOM 119 O SER A 17 25.035 14.632 41.118 1.00 0.00 ATOM 120 C SER A 17 25.752 14.723 42.123 1.00 0.00 ATOM 121 N GLU A 18 27.037 15.078 42.022 1.00 0.00 ATOM 122 CA GLU A 18 27.627 15.366 40.735 1.00 0.00 ATOM 123 CB GLU A 18 29.050 15.890 40.939 1.00 0.00 ATOM 124 CG GLU A 18 29.118 17.267 41.578 1.00 0.00 ATOM 125 CD GLU A 18 28.384 18.321 40.772 1.00 0.00 ATOM 126 OE1 GLU A 18 28.658 18.436 39.559 1.00 0.00 ATOM 127 OE2 GLU A 18 27.537 19.029 41.352 1.00 0.00 ATOM 128 O GLU A 18 27.424 14.216 38.642 1.00 0.00 ATOM 129 C GLU A 18 27.693 14.136 39.839 1.00 0.00 ATOM 130 N GLY A 19 28.057 12.932 40.437 1.00 0.00 ATOM 131 CA GLY A 19 28.141 11.684 39.690 1.00 0.00 ATOM 132 O GLY A 19 26.776 10.847 37.907 1.00 0.00 ATOM 133 C GLY A 19 26.812 11.307 39.046 1.00 0.00 ATOM 134 N SER A 20 25.712 11.504 39.762 1.00 0.00 ATOM 135 CA SER A 20 24.412 11.166 39.206 1.00 0.00 ATOM 136 CB SER A 20 23.308 11.416 40.235 1.00 0.00 ATOM 137 OG SER A 20 23.429 10.539 41.340 1.00 0.00 ATOM 138 O SER A 20 23.670 11.532 36.967 1.00 0.00 ATOM 139 C SER A 20 24.164 12.016 37.980 1.00 0.00 ATOM 140 N ALA A 21 24.507 13.290 38.080 1.00 0.00 ATOM 141 CA ALA A 21 24.331 14.207 36.973 1.00 0.00 ATOM 142 CB ALA A 21 24.620 15.632 37.416 1.00 0.00 ATOM 143 O ALA A 21 24.859 13.824 34.664 1.00 0.00 ATOM 144 C ALA A 21 25.274 13.873 35.820 1.00 0.00 ATOM 145 N ASP A 22 26.541 13.644 36.142 1.00 0.00 ATOM 146 CA ASP A 22 27.548 13.331 35.134 1.00 0.00 ATOM 147 CB ASP A 22 28.924 13.171 35.782 1.00 0.00 ATOM 148 CG ASP A 22 29.518 14.495 36.221 1.00 0.00 ATOM 149 OD1 ASP A 22 28.985 15.549 35.817 1.00 0.00 ATOM 150 OD2 ASP A 22 30.520 14.478 36.969 1.00 0.00 ATOM 151 O ASP A 22 27.405 11.978 33.146 1.00 0.00 ATOM 152 C ASP A 22 27.265 12.030 34.372 1.00 0.00 ATOM 153 N ASN A 23 26.860 10.981 35.084 1.00 0.00 ATOM 154 CA ASN A 23 26.563 9.702 34.434 1.00 0.00 ATOM 155 CB ASN A 23 26.249 8.630 35.480 1.00 0.00 ATOM 156 CG ASN A 23 27.482 8.175 36.236 1.00 0.00 ATOM 157 ND2 ASN A 23 27.272 7.596 37.412 1.00 0.00 ATOM 158 OD1 ASN A 23 28.607 8.342 35.767 1.00 0.00 ATOM 159 O ASN A 23 25.397 9.251 32.392 1.00 0.00 ATOM 160 C ASN A 23 25.386 9.833 33.476 1.00 0.00 ATOM 161 N ALA A 24 24.382 10.611 33.866 1.00 0.00 ATOM 162 CA ALA A 24 23.222 10.809 33.007 1.00 0.00 ATOM 163 CB ALA A 24 22.196 11.683 33.713 1.00 0.00 ATOM 164 O ALA A 24 23.304 11.063 30.623 1.00 0.00 ATOM 165 C ALA A 24 23.696 11.482 31.713 1.00 0.00 ATOM 166 N ALA A 25 24.534 12.511 31.842 1.00 0.00 ATOM 167 CA ALA A 25 25.055 13.223 30.683 1.00 0.00 ATOM 168 CB ALA A 25 25.913 14.393 31.140 1.00 0.00 ATOM 169 O ALA A 25 25.916 12.379 28.609 1.00 0.00 ATOM 170 C ALA A 25 25.942 12.314 29.837 1.00 0.00 ATOM 171 N LEU A 26 26.732 11.473 30.486 1.00 0.00 ATOM 172 CA LEU A 26 27.603 10.556 29.758 1.00 0.00 ATOM 173 CB LEU A 26 28.373 9.686 30.751 1.00 0.00 ATOM 174 CG LEU A 26 29.312 8.639 30.149 1.00 0.00 ATOM 175 CD1 LEU A 26 30.402 9.305 29.325 1.00 0.00 ATOM 176 CD2 LEU A 26 29.979 7.820 31.245 1.00 0.00 ATOM 177 O LEU A 26 27.117 9.467 27.659 1.00 0.00 ATOM 178 C LEU A 26 26.789 9.641 28.844 1.00 0.00 ATOM 179 N CYS A 27 25.732 9.048 29.397 1.00 0.00 ATOM 180 CA CYS A 27 24.878 8.151 28.625 1.00 0.00 ATOM 181 CB CYS A 27 23.692 7.681 29.469 1.00 0.00 ATOM 182 SG CYS A 27 24.134 6.572 30.827 1.00 0.00 ATOM 183 O CYS A 27 24.393 8.289 26.288 1.00 0.00 ATOM 184 C CYS A 27 24.335 8.843 27.384 1.00 0.00 ATOM 185 N ASP A 28 23.823 10.057 27.556 1.00 0.00 ATOM 186 CA ASP A 28 23.265 10.805 26.437 1.00 0.00 ATOM 187 CB ASP A 28 22.553 12.079 26.939 1.00 0.00 ATOM 188 CG ASP A 28 21.258 11.793 27.710 1.00 0.00 ATOM 189 OD1 ASP A 28 20.618 10.745 27.479 1.00 0.00 ATOM 190 OD2 ASP A 28 20.871 12.641 28.534 1.00 0.00 ATOM 191 O ASP A 28 24.089 11.143 24.231 1.00 0.00 ATOM 192 C ASP A 28 24.324 11.210 25.438 1.00 0.00 ATOM 193 N ALA A 29 25.488 11.626 25.938 1.00 0.00 ATOM 194 CA ALA A 29 26.567 12.059 25.062 1.00 0.00 ATOM 195 CB ALA A 29 27.729 12.600 25.879 1.00 0.00 ATOM 196 O ALA A 29 27.292 11.069 22.981 1.00 0.00 ATOM 197 C ALA A 29 27.038 10.896 24.175 1.00 0.00 ATOM 198 N LEU A 30 27.154 9.725 24.766 1.00 0.00 ATOM 199 CA LEU A 30 27.608 8.570 24.011 1.00 0.00 ATOM 200 CB LEU A 30 27.908 7.386 24.931 1.00 0.00 ATOM 201 CG LEU A 30 28.552 6.163 24.275 1.00 0.00 ATOM 202 CD1 LEU A 30 29.889 6.531 23.649 1.00 0.00 ATOM 203 CD2 LEU A 30 28.794 5.067 25.301 1.00 0.00 ATOM 204 O LEU A 30 27.039 7.776 21.845 1.00 0.00 ATOM 205 C LEU A 30 26.625 8.147 22.944 1.00 0.00 ATOM 206 N ALA A 31 25.379 8.126 23.195 1.00 0.00 ATOM 207 CA ALA A 31 24.324 7.817 22.232 1.00 0.00 ATOM 208 CB ALA A 31 22.956 7.869 22.868 1.00 0.00 ATOM 209 O ALA A 31 24.308 8.524 19.943 1.00 0.00 ATOM 210 C ALA A 31 24.421 8.857 21.119 1.00 0.00 ATOM 211 N VAL A 32 24.635 10.119 21.495 1.00 0.00 ATOM 212 CA VAL A 32 24.790 11.190 20.516 1.00 0.00 ATOM 213 CB VAL A 32 24.966 12.534 21.245 1.00 0.00 ATOM 214 CG1 VAL A 32 25.233 13.655 20.251 1.00 0.00 ATOM 215 CG2 VAL A 32 23.689 12.881 21.975 1.00 0.00 ATOM 216 O VAL A 32 25.954 11.005 18.420 1.00 0.00 ATOM 217 C VAL A 32 26.010 10.892 19.647 1.00 0.00 ATOM 218 N GLU A 33 27.100 10.492 20.288 1.00 0.00 ATOM 219 CA GLU A 33 28.328 10.162 19.570 1.00 0.00 ATOM 220 CB GLU A 33 29.366 9.620 20.554 1.00 0.00 ATOM 221 CG GLU A 33 30.689 9.236 19.911 1.00 0.00 ATOM 222 CD GLU A 33 31.707 8.742 20.920 1.00 0.00 ATOM 223 OE1 GLU A 33 31.387 8.733 22.129 1.00 0.00 ATOM 224 OE2 GLU A 33 32.822 8.365 20.506 1.00 0.00 ATOM 225 O GLU A 33 28.491 9.185 17.373 1.00 0.00 ATOM 226 C GLU A 33 28.063 9.078 18.527 1.00 0.00 ATOM 227 N HIS A 34 27.362 8.026 18.945 1.00 0.00 ATOM 228 CA HIS A 34 27.070 6.922 18.043 1.00 0.00 ATOM 229 CB HIS A 34 26.406 5.788 18.783 1.00 0.00 ATOM 230 CG HIS A 34 27.371 5.046 19.648 1.00 0.00 ATOM 231 CD2 HIS A 34 27.985 5.409 20.801 1.00 0.00 ATOM 232 ND1 HIS A 34 27.921 3.835 19.289 1.00 0.00 ATOM 233 CE1 HIS A 34 28.831 3.484 20.182 1.00 0.00 ATOM 234 NE2 HIS A 34 28.889 4.422 21.109 1.00 0.00 ATOM 235 O HIS A 34 26.462 7.028 15.732 1.00 0.00 ATOM 236 C HIS A 34 26.195 7.369 16.877 1.00 0.00 ATOM 237 N ALA A 35 25.177 8.147 17.166 1.00 0.00 ATOM 238 CA ALA A 35 24.274 8.626 16.127 1.00 0.00 ATOM 239 CB ALA A 35 23.070 9.332 16.730 1.00 0.00 ATOM 240 O ALA A 35 24.717 9.582 13.963 1.00 0.00 ATOM 241 C ALA A 35 24.981 9.585 15.165 1.00 0.00 ATOM 242 N THR A 36 25.885 10.398 15.695 1.00 0.00 ATOM 243 CA THR A 36 26.639 11.310 14.850 1.00 0.00 ATOM 244 CB THR A 36 27.523 12.255 15.686 1.00 0.00 ATOM 245 CG2 THR A 36 28.333 13.168 14.778 1.00 0.00 ATOM 246 OG1 THR A 36 26.694 13.062 16.534 1.00 0.00 ATOM 247 O THR A 36 27.580 10.707 12.724 1.00 0.00 ATOM 248 C THR A 36 27.510 10.456 13.924 1.00 0.00 ATOM 249 N ILE A 37 28.134 9.431 14.492 1.00 0.00 ATOM 250 CA ILE A 37 28.905 8.484 13.689 1.00 0.00 ATOM 251 CB ILE A 37 29.487 7.347 14.549 1.00 0.00 ATOM 252 CG1 ILE A 37 30.488 7.903 15.564 1.00 0.00 ATOM 253 CG2 ILE A 37 30.205 6.331 13.672 1.00 0.00 ATOM 254 CD1 ILE A 37 30.903 6.905 16.621 1.00 0.00 ATOM 255 O ILE A 37 28.477 7.802 11.435 1.00 0.00 ATOM 256 C ILE A 37 28.055 7.879 12.588 1.00 0.00 ATOM 257 N TYR A 38 26.850 7.448 12.955 1.00 0.00 ATOM 258 CA TYR A 38 25.929 6.850 11.996 1.00 0.00 ATOM 259 CB TYR A 38 24.585 6.549 12.662 1.00 0.00 ATOM 260 CG TYR A 38 23.546 5.988 11.716 1.00 0.00 ATOM 261 CD1 TYR A 38 23.550 4.643 11.373 1.00 0.00 ATOM 262 CD2 TYR A 38 22.564 6.807 11.170 1.00 0.00 ATOM 263 CE1 TYR A 38 22.604 4.121 10.510 1.00 0.00 ATOM 264 CE2 TYR A 38 21.612 6.302 10.306 1.00 0.00 ATOM 265 CZ TYR A 38 21.639 4.947 9.978 1.00 0.00 ATOM 266 OH TYR A 38 20.696 4.431 9.120 1.00 0.00 ATOM 267 O TYR A 38 25.774 7.413 9.630 1.00 0.00 ATOM 268 C TYR A 38 25.660 7.801 10.807 1.00 0.00 ATOM 269 N GLY A 39 25.292 9.015 11.117 1.00 0.00 ATOM 270 CA GLY A 39 25.050 10.011 10.083 1.00 0.00 ATOM 271 O GLY A 39 26.262 10.469 8.063 1.00 0.00 ATOM 272 C GLY A 39 26.310 10.309 9.293 1.00 0.00 ATOM 273 N TYR A 40 27.459 10.399 10.020 1.00 0.00 ATOM 274 CA TYR A 40 28.715 10.669 9.353 1.00 0.00 ATOM 275 CB TYR A 40 29.828 9.912 10.325 1.00 0.00 ATOM 276 CG TYR A 40 31.272 10.231 9.977 1.00 0.00 ATOM 277 CD1 TYR A 40 31.855 11.396 10.462 1.00 0.00 ATOM 278 CD2 TYR A 40 32.014 9.373 9.170 1.00 0.00 ATOM 279 CE1 TYR A 40 33.168 11.699 10.150 1.00 0.00 ATOM 280 CE2 TYR A 40 33.326 9.672 8.848 1.00 0.00 ATOM 281 CZ TYR A 40 33.883 10.839 9.347 1.00 0.00 ATOM 282 OH TYR A 40 35.190 11.116 9.017 1.00 0.00 ATOM 283 O TYR A 40 29.270 9.887 7.123 1.00 0.00 ATOM 284 C TYR A 40 28.947 9.584 8.279 1.00 0.00 ATOM 285 N GLY A 41 28.759 8.322 8.663 1.00 0.00 ATOM 286 CA GLY A 41 28.954 7.202 7.743 1.00 0.00 ATOM 287 O GLY A 41 28.107 6.098 5.798 1.00 0.00 ATOM 288 C GLY A 41 27.896 6.931 6.682 1.00 0.00 ATOM 289 N ILE A 42 26.737 7.606 6.801 1.00 0.00 ATOM 290 CA ILE A 42 25.664 7.406 5.830 1.00 0.00 ATOM 291 CB ILE A 42 24.310 7.023 6.456 1.00 0.00 ATOM 292 CG1 ILE A 42 23.855 8.100 7.443 1.00 0.00 ATOM 293 CG2 ILE A 42 24.422 5.702 7.201 1.00 0.00 ATOM 294 CD1 ILE A 42 22.433 7.919 7.930 1.00 0.00 ATOM 295 O ILE A 42 24.600 8.482 3.999 1.00 0.00 ATOM 296 C ILE A 42 25.285 8.628 5.002 1.00 0.00 ATOM 297 N VAL A 43 25.703 9.821 5.405 1.00 0.00 ATOM 298 CA VAL A 43 25.323 11.020 4.669 1.00 0.00 ATOM 299 CB VAL A 43 25.907 12.299 5.380 1.00 0.00 ATOM 300 CG1 VAL A 43 25.792 13.530 4.505 1.00 0.00 ATOM 301 CG2 VAL A 43 25.189 12.553 6.704 1.00 0.00 ATOM 302 O VAL A 43 26.840 10.754 2.781 1.00 0.00 ATOM 303 C VAL A 43 25.692 10.946 3.201 1.00 0.00 ATOM 304 N SER A 44 24.618 11.139 2.298 1.00 0.00 ATOM 305 CA SER A 44 24.879 11.229 0.872 1.00 0.00 ATOM 306 CB SER A 44 25.129 9.794 0.323 1.00 0.00 ATOM 307 OG SER A 44 23.891 9.103 0.373 1.00 0.00 ATOM 308 O SER A 44 22.642 12.055 0.371 1.00 0.00 ATOM 309 C SER A 44 23.859 12.095 0.112 1.00 0.00 ATOM 310 N ALA A 45 24.629 12.926 -0.799 1.00 0.00 ATOM 311 CA ALA A 45 23.916 13.901 -1.640 1.00 0.00 ATOM 312 CB ALA A 45 22.907 14.561 -0.713 1.00 0.00 ATOM 313 O ALA A 45 26.092 14.832 -2.033 1.00 0.00 ATOM 314 C ALA A 45 24.873 14.973 -2.126 1.00 0.00 ATOM 315 N LEU A 46 24.210 16.159 -2.494 1.00 0.00 ATOM 316 CA LEU A 46 24.993 17.287 -3.002 1.00 0.00 ATOM 317 CB LEU A 46 24.003 18.393 -3.371 1.00 0.00 ATOM 318 CG LEU A 46 23.121 18.135 -4.594 1.00 0.00 ATOM 319 CD1 LEU A 46 22.078 19.232 -4.745 1.00 0.00 ATOM 320 CD2 LEU A 46 23.959 18.099 -5.862 1.00 0.00 ATOM 321 O LEU A 46 26.943 18.569 -2.467 1.00 0.00 ATOM 322 C LEU A 46 25.977 17.938 -2.033 1.00 0.00 ATOM 323 N SER A 47 25.712 17.766 -0.676 1.00 0.00 ATOM 324 CA SER A 47 26.545 18.423 0.323 1.00 0.00 ATOM 325 CB SER A 47 25.734 19.463 1.097 1.00 0.00 ATOM 326 OG SER A 47 24.623 18.866 1.742 1.00 0.00 ATOM 327 O SER A 47 27.435 17.825 2.477 1.00 0.00 ATOM 328 C SER A 47 27.122 17.447 1.345 1.00 0.00 ATOM 329 N PRO A 48 27.293 16.201 0.912 1.00 0.00 ATOM 330 CA PRO A 48 27.792 15.128 1.763 1.00 0.00 ATOM 331 CB PRO A 48 27.772 13.896 0.856 1.00 0.00 ATOM 332 CG PRO A 48 27.759 14.453 -0.529 1.00 0.00 ATOM 333 CD PRO A 48 27.005 15.751 -0.449 1.00 0.00 ATOM 334 O PRO A 48 29.435 14.968 3.494 1.00 0.00 ATOM 335 C PRO A 48 29.202 15.302 2.332 1.00 0.00 ATOM 336 N PRO A 49 30.238 15.812 1.534 1.00 0.00 ATOM 337 CA PRO A 49 31.596 15.935 2.040 1.00 0.00 ATOM 338 CB PRO A 49 32.402 16.402 0.827 1.00 0.00 ATOM 339 CG PRO A 49 31.387 16.993 -0.092 1.00 0.00 ATOM 340 CD PRO A 49 30.117 16.224 0.139 1.00 0.00 ATOM 341 O PRO A 49 32.380 16.684 4.177 1.00 0.00 ATOM 342 C PRO A 49 31.701 16.939 3.180 1.00 0.00 ATOM 343 N GLY A 50 31.029 18.075 3.040 1.00 0.00 ATOM 344 CA GLY A 50 31.039 19.078 4.091 1.00 0.00 ATOM 345 O GLY A 50 30.759 18.761 6.460 1.00 0.00 ATOM 346 C GLY A 50 30.322 18.533 5.329 1.00 0.00 ATOM 347 N VAL A 51 29.217 17.825 5.113 1.00 0.00 ATOM 348 CA VAL A 51 28.467 17.237 6.222 1.00 0.00 ATOM 349 CB VAL A 51 27.116 16.667 5.750 1.00 0.00 ATOM 350 CG1 VAL A 51 26.441 15.899 6.875 1.00 0.00 ATOM 351 CG2 VAL A 51 26.188 17.790 5.311 1.00 0.00 ATOM 352 O VAL A 51 29.310 15.936 8.061 1.00 0.00 ATOM 353 C VAL A 51 29.301 16.095 6.849 1.00 0.00 ATOM 354 N ASN A 52 29.953 15.317 6.007 1.00 0.00 ATOM 355 CA ASN A 52 30.799 14.232 6.490 1.00 0.00 ATOM 356 CB ASN A 52 31.530 13.586 5.366 1.00 0.00 ATOM 357 CG ASN A 52 32.328 12.384 5.792 1.00 0.00 ATOM 358 ND2 ASN A 52 33.565 12.308 5.321 1.00 0.00 ATOM 359 OD1 ASN A 52 31.851 11.532 6.518 1.00 0.00 ATOM 360 O ASN A 52 32.023 14.244 8.563 1.00 0.00 ATOM 361 C ASN A 52 31.835 14.779 7.469 1.00 0.00 ATOM 362 N PHE A 53 32.498 15.864 7.067 1.00 0.00 ATOM 363 CA PHE A 53 33.523 16.503 7.897 1.00 0.00 ATOM 364 CB PHE A 53 34.232 17.562 6.980 1.00 0.00 ATOM 365 CG PHE A 53 35.409 18.247 7.607 1.00 0.00 ATOM 366 CD1 PHE A 53 36.634 17.596 7.723 1.00 0.00 ATOM 367 CD2 PHE A 53 35.315 19.576 8.017 1.00 0.00 ATOM 368 CE1 PHE A 53 37.750 18.261 8.229 1.00 0.00 ATOM 369 CE2 PHE A 53 36.422 20.245 8.525 1.00 0.00 ATOM 370 CZ PHE A 53 37.642 19.591 8.629 1.00 0.00 ATOM 371 O PHE A 53 33.536 17.144 10.202 1.00 0.00 ATOM 372 C PHE A 53 32.941 17.178 9.129 1.00 0.00 ATOM 373 N LEU A 54 31.777 17.788 8.988 1.00 0.00 ATOM 374 CA LEU A 54 31.121 18.380 10.172 1.00 0.00 ATOM 375 CB LEU A 54 29.865 19.156 9.768 1.00 0.00 ATOM 376 CG LEU A 54 30.092 20.458 8.996 1.00 0.00 ATOM 377 CD1 LEU A 54 28.773 21.023 8.495 1.00 0.00 ATOM 378 CD2 LEU A 54 30.751 21.502 9.884 1.00 0.00 ATOM 379 O LEU A 54 31.044 17.509 12.375 1.00 0.00 ATOM 380 C LEU A 54 30.874 17.284 11.177 1.00 0.00 ATOM 381 N VAL A 55 30.489 16.133 10.704 1.00 0.00 ATOM 382 CA VAL A 55 30.177 15.088 11.606 1.00 0.00 ATOM 383 CB VAL A 55 29.276 13.992 10.823 1.00 0.00 ATOM 384 CG1 VAL A 55 29.108 12.739 11.684 1.00 0.00 ATOM 385 CG2 VAL A 55 27.926 14.551 10.452 1.00 0.00 ATOM 386 O VAL A 55 31.364 14.209 13.482 1.00 0.00 ATOM 387 C VAL A 55 31.408 14.508 12.283 1.00 0.00 ATOM 388 N ALA A 56 32.497 14.348 11.577 1.00 0.00 ATOM 389 CA ALA A 56 33.725 13.791 12.173 1.00 0.00 ATOM 390 CB ALA A 56 34.826 13.695 11.128 1.00 0.00 ATOM 391 O ALA A 56 34.630 14.161 14.371 1.00 0.00 ATOM 392 C ALA A 56 34.220 14.662 13.323 1.00 0.00 ATOM 393 N ASP A 57 34.187 15.977 13.124 1.00 0.00 ATOM 394 CA ASP A 57 34.600 16.928 14.153 1.00 0.00 ATOM 395 CB ASP A 57 34.660 18.345 13.581 1.00 0.00 ATOM 396 CG ASP A 57 35.849 18.552 12.662 1.00 0.00 ATOM 397 OD1 ASP A 57 36.755 17.693 12.660 1.00 0.00 ATOM 398 OD2 ASP A 57 35.875 19.575 11.946 1.00 0.00 ATOM 399 O ASP A 57 34.008 17.020 16.479 1.00 0.00 ATOM 400 C ASP A 57 33.611 16.912 15.315 1.00 0.00 ATOM 401 N ALA A 58 32.329 16.789 14.994 1.00 0.00 ATOM 402 CA ALA A 58 31.304 16.757 16.028 1.00 0.00 ATOM 403 CB ALA A 58 29.920 16.708 15.396 1.00 0.00 ATOM 404 O ALA A 58 31.378 15.556 18.113 1.00 0.00 ATOM 405 C ALA A 58 31.492 15.506 16.887 1.00 0.00 ATOM 406 N LEU A 59 31.815 14.402 16.242 1.00 0.00 ATOM 407 CA LEU A 59 32.084 13.174 16.979 1.00 0.00 ATOM 408 CB LEU A 59 32.330 12.018 16.009 1.00 0.00 ATOM 409 CG LEU A 59 32.609 10.651 16.637 1.00 0.00 ATOM 410 CD1 LEU A 59 31.420 10.189 17.465 1.00 0.00 ATOM 411 CD2 LEU A 59 32.875 9.610 15.563 1.00 0.00 ATOM 412 O LEU A 59 33.306 12.920 19.038 1.00 0.00 ATOM 413 C LEU A 59 33.309 13.324 17.873 1.00 0.00 ATOM 414 N LYS A 60 34.367 13.915 17.334 1.00 0.00 ATOM 415 CA LYS A 60 35.575 14.104 18.128 1.00 0.00 ATOM 416 CB LYS A 60 36.641 14.838 17.312 1.00 0.00 ATOM 417 CG LYS A 60 37.249 14.007 16.194 1.00 0.00 ATOM 418 CD LYS A 60 38.299 14.795 15.429 1.00 0.00 ATOM 419 CE LYS A 60 38.889 13.972 14.295 1.00 0.00 ATOM 420 NZ LYS A 60 39.896 14.744 13.515 1.00 0.00 ATOM 421 O LYS A 60 35.726 14.626 20.486 1.00 0.00 ATOM 422 C LYS A 60 35.264 14.935 19.376 1.00 0.00 ATOM 423 N GLN A 61 34.486 15.995 19.193 1.00 0.00 ATOM 424 CA GLN A 61 34.104 16.851 20.309 1.00 0.00 ATOM 425 CB GLN A 61 33.251 18.021 19.818 1.00 0.00 ATOM 426 CG GLN A 61 34.003 19.019 18.951 1.00 0.00 ATOM 427 CD GLN A 61 35.148 19.684 19.690 1.00 0.00 ATOM 428 OE1 GLN A 61 34.996 20.109 20.834 1.00 0.00 ATOM 429 NE2 GLN A 61 36.299 19.775 19.034 1.00 0.00 ATOM 430 O GLN A 61 33.509 16.198 22.545 1.00 0.00 ATOM 431 C GLN A 61 33.282 16.071 21.342 1.00 0.00 ATOM 432 N HIS A 62 32.342 15.254 20.872 1.00 0.00 ATOM 433 CA HIS A 62 31.500 14.465 21.766 1.00 0.00 ATOM 434 CB HIS A 62 30.449 13.692 20.967 1.00 0.00 ATOM 435 CG HIS A 62 29.360 14.555 20.408 1.00 0.00 ATOM 436 CD2 HIS A 62 28.897 14.909 19.075 1.00 0.00 ATOM 437 ND1 HIS A 62 28.486 15.259 21.206 1.00 0.00 ATOM 438 CE1 HIS A 62 27.625 15.936 20.424 1.00 0.00 ATOM 439 NE2 HIS A 62 27.867 15.731 19.143 1.00 0.00 ATOM 440 O HIS A 62 32.174 13.260 23.738 1.00 0.00 ATOM 441 C HIS A 62 32.378 13.483 22.545 1.00 0.00 ATOM 442 N ARG A 63 33.354 12.926 21.867 1.00 0.00 ATOM 443 CA ARG A 63 34.260 11.964 22.483 1.00 0.00 ATOM 444 CB ARG A 63 35.205 11.356 21.445 1.00 0.00 ATOM 445 CG ARG A 63 36.129 10.283 22.000 1.00 0.00 ATOM 446 CD ARG A 63 36.950 9.638 20.896 1.00 0.00 ATOM 447 NE ARG A 63 37.845 8.603 21.414 1.00 0.00 ATOM 448 CZ ARG A 63 38.715 7.929 20.669 1.00 0.00 ATOM 449 NH1 ARG A 63 39.488 7.007 21.226 1.00 0.00 ATOM 450 NH2 ARG A 63 38.813 8.179 19.371 1.00 0.00 ATOM 451 O ARG A 63 35.367 12.005 24.616 1.00 0.00 ATOM 452 C ARG A 63 35.108 12.610 23.569 1.00 0.00 ATOM 453 N HIS A 64 35.540 13.844 23.328 1.00 0.00 ATOM 454 CA HIS A 64 36.338 14.555 24.308 1.00 0.00 ATOM 455 CB HIS A 64 36.915 15.834 23.702 1.00 0.00 ATOM 456 CG HIS A 64 37.783 16.611 24.642 1.00 0.00 ATOM 457 CD2 HIS A 64 37.678 17.881 25.345 1.00 0.00 ATOM 458 ND1 HIS A 64 39.021 16.164 25.054 1.00 0.00 ATOM 459 CE1 HIS A 64 39.557 17.069 25.892 1.00 0.00 ATOM 460 NE2 HIS A 64 38.757 18.103 26.069 1.00 0.00 ATOM 461 O HIS A 64 35.964 14.775 26.659 1.00 0.00 ATOM 462 C HIS A 64 35.493 14.913 25.526 1.00 0.00 ATOM 463 N ARG A 65 34.262 15.346 25.271 1.00 0.00 ATOM 464 CA ARG A 65 33.347 15.681 26.355 1.00 0.00 ATOM 465 CB ARG A 65 32.007 16.177 25.809 1.00 0.00 ATOM 466 CG ARG A 65 31.064 16.715 26.872 1.00 0.00 ATOM 467 CD ARG A 65 29.775 17.234 26.255 1.00 0.00 ATOM 468 NE ARG A 65 30.019 18.328 25.319 1.00 0.00 ATOM 469 CZ ARG A 65 29.909 18.220 23.999 1.00 0.00 ATOM 470 NH1 ARG A 65 30.149 19.269 23.226 1.00 0.00 ATOM 471 NH2 ARG A 65 29.558 17.063 23.456 1.00 0.00 ATOM 472 O ARG A 65 33.150 14.513 28.441 1.00 0.00 ATOM 473 C ARG A 65 33.120 14.440 27.212 1.00 0.00 ATOM 474 N ARG A 66 32.900 13.290 26.570 1.00 0.00 ATOM 475 CA ARG A 66 32.687 12.053 27.312 1.00 0.00 ATOM 476 CB ARG A 66 33.121 10.902 26.179 1.00 0.00 ATOM 477 CG ARG A 66 32.191 9.747 25.795 1.00 0.00 ATOM 478 CD ARG A 66 32.727 8.997 24.583 1.00 0.00 ATOM 479 NE ARG A 66 33.940 8.212 24.919 1.00 0.00 ATOM 480 CZ ARG A 66 34.518 7.449 23.992 1.00 0.00 ATOM 481 NH1 ARG A 66 34.107 7.301 22.731 1.00 0.00 ATOM 482 NH2 ARG A 66 35.637 6.785 24.386 1.00 0.00 ATOM 483 O ARG A 66 33.760 11.264 29.305 1.00 0.00 ATOM 484 C ARG A 66 33.899 11.714 28.170 1.00 0.00 ATOM 485 N ASP A 67 35.091 11.933 27.621 1.00 0.00 ATOM 486 CA ASP A 67 36.329 11.642 28.334 1.00 0.00 ATOM 487 CB ASP A 67 37.540 11.913 27.439 1.00 0.00 ATOM 488 CG ASP A 67 37.709 10.867 26.355 1.00 0.00 ATOM 489 OD1 ASP A 67 37.043 9.814 26.437 1.00 0.00 ATOM 490 OD2 ASP A 67 38.509 11.100 25.424 1.00 0.00 ATOM 491 O ASP A 67 36.885 12.062 30.626 1.00 0.00 ATOM 492 C ASP A 67 36.440 12.510 29.566 1.00 0.00 ATOM 493 N ASP A 68 36.042 13.782 29.427 1.00 0.00 ATOM 494 CA ASP A 68 36.067 14.740 30.512 1.00 0.00 ATOM 495 CB ASP A 68 35.644 16.132 30.035 1.00 0.00 ATOM 496 CG ASP A 68 36.712 16.811 29.201 1.00 0.00 ATOM 497 OD1 ASP A 68 37.859 16.318 29.189 1.00 0.00 ATOM 498 OD2 ASP A 68 36.402 17.837 28.558 1.00 0.00 ATOM 499 O ASP A 68 35.438 14.276 32.809 1.00 0.00 ATOM 500 C ASP A 68 35.070 14.308 31.608 1.00 0.00 ATOM 501 N VAL A 69 33.871 14.005 31.153 1.00 0.00 ATOM 502 CA VAL A 69 32.796 13.580 32.084 1.00 0.00 ATOM 503 CB VAL A 69 31.505 13.241 31.316 1.00 0.00 ATOM 504 CG1 VAL A 69 30.495 12.576 32.238 1.00 0.00 ATOM 505 CG2 VAL A 69 30.877 14.506 30.747 1.00 0.00 ATOM 506 O VAL A 69 33.093 12.184 34.049 1.00 0.00 ATOM 507 C VAL A 69 33.223 12.307 32.801 1.00 0.00 ATOM 508 N ILE A 70 33.717 11.252 32.112 1.00 0.00 ATOM 509 CA ILE A 70 34.144 9.998 32.743 1.00 0.00 ATOM 510 CB ILE A 70 34.630 9.025 31.654 1.00 0.00 ATOM 511 CG1 ILE A 70 33.463 8.596 30.762 1.00 0.00 ATOM 512 CG2 ILE A 70 35.237 7.780 32.284 1.00 0.00 ATOM 513 CD1 ILE A 70 33.890 7.856 29.513 1.00 0.00 ATOM 514 O ILE A 70 35.289 9.585 34.821 1.00 0.00 ATOM 515 C ILE A 70 35.286 10.175 33.735 1.00 0.00 ATOM 516 N VAL A 71 36.275 10.977 33.359 1.00 0.00 ATOM 517 CA VAL A 71 37.407 11.196 34.239 1.00 0.00 ATOM 518 CB VAL A 71 38.527 11.986 33.533 1.00 0.00 ATOM 519 CG1 VAL A 71 39.620 12.360 34.522 1.00 0.00 ATOM 520 CG2 VAL A 71 39.147 11.152 32.423 1.00 0.00 ATOM 521 O VAL A 71 37.427 11.642 36.636 1.00 0.00 ATOM 522 C VAL A 71 36.971 11.939 35.520 1.00 0.00 ATOM 523 N MET A 72 36.093 12.907 35.347 1.00 0.00 ATOM 524 CA MET A 72 35.602 13.655 36.511 1.00 0.00 ATOM 525 CB MET A 72 34.668 14.787 36.079 1.00 0.00 ATOM 526 CG MET A 72 35.355 15.893 35.294 1.00 0.00 ATOM 527 SD MET A 72 36.657 16.709 36.237 1.00 0.00 ATOM 528 CE MET A 72 35.691 17.558 37.485 1.00 0.00 ATOM 529 O MET A 72 34.981 12.809 38.677 1.00 0.00 ATOM 530 C MET A 72 34.863 12.707 37.454 1.00 0.00 ATOM 531 N LEU A 73 34.100 11.782 36.878 1.00 0.00 ATOM 532 CA LEU A 73 33.379 10.796 37.684 1.00 0.00 ATOM 533 CB LEU A 73 32.598 9.837 36.784 1.00 0.00 ATOM 534 CG LEU A 73 31.388 10.426 36.055 1.00 0.00 ATOM 535 CD1 LEU A 73 30.822 9.427 35.056 1.00 0.00 ATOM 536 CD2 LEU A 73 30.288 10.784 37.043 1.00 0.00 ATOM 537 O LEU A 73 34.278 9.854 39.717 1.00 0.00 ATOM 538 C LEU A 73 34.410 10.018 38.499 1.00 0.00 ATOM 539 N SER A 74 35.431 9.563 37.827 1.00 0.00 ATOM 540 CA SER A 74 36.478 8.815 38.495 1.00 0.00 ATOM 541 CB SER A 74 37.536 8.359 37.490 1.00 0.00 ATOM 542 OG SER A 74 36.999 7.421 36.574 1.00 0.00 ATOM 543 O SER A 74 37.593 9.129 40.594 1.00 0.00 ATOM 544 C SER A 74 37.202 9.648 39.547 1.00 0.00 ATOM 545 N ALA A 75 37.374 10.934 39.266 1.00 0.00 ATOM 546 CA ALA A 75 38.044 11.828 40.205 1.00 0.00 ATOM 547 CB ALA A 75 38.241 13.203 39.585 1.00 0.00 ATOM 548 O ALA A 75 37.752 12.131 42.575 1.00 0.00 ATOM 549 C ALA A 75 37.207 11.990 41.477 1.00 0.00 ATOM 550 N ARG A 76 35.883 11.967 41.327 1.00 0.00 ATOM 551 CA ARG A 76 34.976 12.130 42.457 1.00 0.00 ATOM 552 CB ARG A 76 33.766 12.872 42.035 1.00 0.00 ATOM 553 CG ARG A 76 34.184 14.324 41.695 1.00 0.00 ATOM 554 CD ARG A 76 32.994 15.167 41.399 1.00 0.00 ATOM 555 NE ARG A 76 33.346 16.510 41.079 1.00 0.00 ATOM 556 CZ ARG A 76 33.475 17.565 41.897 1.00 0.00 ATOM 557 NH1 ARG A 76 33.315 17.496 43.191 1.00 0.00 ATOM 558 NH2 ARG A 76 33.779 18.718 41.387 1.00 0.00 ATOM 559 O ARG A 76 33.907 10.832 44.110 1.00 0.00 ATOM 560 C ARG A 76 34.813 10.839 43.257 1.00 0.00 ATOM 561 N GLY A 77 35.454 9.732 42.870 1.00 0.00 ATOM 562 CA GLY A 77 35.244 8.479 43.612 1.00 0.00 ATOM 563 O GLY A 77 33.663 6.693 43.754 1.00 0.00 ATOM 564 C GLY A 77 34.119 7.607 43.076 1.00 0.00 ATOM 565 N VAL A 78 33.662 7.882 41.863 1.00 0.00 ATOM 566 CA VAL A 78 32.598 7.081 41.289 1.00 0.00 ATOM 567 CB VAL A 78 31.453 7.932 40.716 1.00 0.00 ATOM 568 CG1 VAL A 78 30.895 8.878 41.777 1.00 0.00 ATOM 569 CG2 VAL A 78 31.970 8.691 39.494 1.00 0.00 ATOM 570 O VAL A 78 34.229 6.013 39.880 1.00 0.00 ATOM 571 C VAL A 78 33.051 6.100 40.216 1.00 0.00 ATOM 572 N THR A 79 32.131 5.310 39.688 1.00 0.00 ATOM 573 CA THR A 79 32.425 4.403 38.583 1.00 0.00 ATOM 574 CB THR A 79 31.963 2.985 38.967 1.00 0.00 ATOM 575 CG2 THR A 79 32.288 1.999 37.853 1.00 0.00 ATOM 576 OG1 THR A 79 32.630 2.569 40.164 1.00 0.00 ATOM 577 O THR A 79 30.480 4.743 37.199 1.00 0.00 ATOM 578 C THR A 79 31.707 4.819 37.302 1.00 0.00 ATOM 579 N ALA A 80 32.472 5.279 36.308 1.00 0.00 ATOM 580 CA ALA A 80 31.849 5.693 35.046 1.00 0.00 ATOM 581 CB ALA A 80 32.865 6.396 34.159 1.00 0.00 ATOM 582 O ALA A 80 31.904 3.431 34.222 1.00 0.00 ATOM 583 C ALA A 80 31.293 4.509 34.257 1.00 0.00 ATOM 584 N PRO A 81 30.120 4.704 33.653 1.00 0.00 ATOM 585 CA PRO A 81 29.503 3.656 32.837 1.00 0.00 ATOM 586 CB PRO A 81 28.123 4.299 32.477 1.00 0.00 ATOM 587 CG PRO A 81 27.950 5.437 33.386 1.00 0.00 ATOM 588 CD PRO A 81 29.290 5.893 33.886 1.00 0.00 ATOM 589 O PRO A 81 31.165 4.250 31.228 1.00 0.00 ATOM 590 C PRO A 81 30.556 3.340 31.799 1.00 0.00 ATOM 591 N ILE A 82 30.778 2.062 31.551 1.00 0.00 ATOM 592 CA ILE A 82 31.819 1.689 30.614 1.00 0.00 ATOM 593 CB ILE A 82 32.926 0.845 31.272 1.00 0.00 ATOM 594 CG1 ILE A 82 33.595 1.628 32.404 1.00 0.00 ATOM 595 CG2 ILE A 82 33.990 0.471 30.250 1.00 0.00 ATOM 596 CD1 ILE A 82 34.531 0.796 33.252 1.00 0.00 ATOM 597 O ILE A 82 31.605 1.281 28.279 1.00 0.00 ATOM 598 C ILE A 82 31.391 0.866 29.409 1.00 0.00 ATOM 599 N ALA A 83 30.756 -0.453 29.597 1.00 0.00 ATOM 600 CA ALA A 83 30.421 -1.268 28.439 1.00 0.00 ATOM 601 CB ALA A 83 29.806 -2.586 28.878 1.00 0.00 ATOM 602 O ALA A 83 28.615 0.243 27.974 1.00 0.00 ATOM 603 C ALA A 83 29.423 -0.572 27.526 1.00 0.00 ATOM 604 N ALA A 84 29.493 -0.876 26.222 1.00 0.00 ATOM 605 CA ALA A 84 28.610 -0.308 25.197 1.00 0.00 ATOM 606 CB ALA A 84 28.882 -0.952 23.847 1.00 0.00 ATOM 607 O ALA A 84 26.305 0.288 25.493 1.00 0.00 ATOM 608 C ALA A 84 27.164 -0.590 25.591 1.00 0.00 ATOM 609 N ALA A 85 26.906 -1.808 26.020 1.00 0.00 ATOM 610 CA ALA A 85 25.559 -2.199 26.430 1.00 0.00 ATOM 611 CB ALA A 85 25.575 -3.660 26.853 1.00 0.00 ATOM 612 O ALA A 85 23.912 -0.923 27.619 1.00 0.00 ATOM 613 C ALA A 85 25.059 -1.363 27.612 1.00 0.00 ATOM 614 N GLY A 86 25.947 -1.128 28.674 1.00 0.00 ATOM 615 CA GLY A 86 25.600 -0.302 29.828 1.00 0.00 ATOM 616 O GLY A 86 24.414 1.798 29.905 1.00 0.00 ATOM 617 C GLY A 86 25.348 1.149 29.422 1.00 0.00 ATOM 618 N TYR A 87 26.206 1.660 28.546 1.00 0.00 ATOM 619 CA TYR A 87 26.072 3.027 28.083 1.00 0.00 ATOM 620 CB TYR A 87 27.018 3.355 26.962 1.00 0.00 ATOM 621 CG TYR A 87 28.440 3.581 27.414 1.00 0.00 ATOM 622 CD1 TYR A 87 29.504 2.929 26.782 1.00 0.00 ATOM 623 CD2 TYR A 87 28.728 4.445 28.464 1.00 0.00 ATOM 624 CE1 TYR A 87 30.819 3.136 27.190 1.00 0.00 ATOM 625 CE2 TYR A 87 30.042 4.660 28.879 1.00 0.00 ATOM 626 CZ TYR A 87 31.082 4.003 28.238 1.00 0.00 ATOM 627 OH TYR A 87 32.380 4.218 28.644 1.00 0.00 ATOM 628 O TYR A 87 24.007 4.183 27.762 1.00 0.00 ATOM 629 C TYR A 87 24.716 3.236 27.423 1.00 0.00 ATOM 630 N GLN A 88 24.353 2.365 26.482 1.00 0.00 ATOM 631 CA GLN A 88 23.070 2.520 25.806 1.00 0.00 ATOM 632 CB GLN A 88 22.935 1.501 24.673 1.00 0.00 ATOM 633 CG GLN A 88 23.855 1.760 23.492 1.00 0.00 ATOM 634 CD GLN A 88 23.774 0.671 22.439 1.00 0.00 ATOM 635 OE1 GLN A 88 23.102 -0.341 22.631 1.00 0.00 ATOM 636 NE2 GLN A 88 24.463 0.878 21.323 1.00 0.00 ATOM 637 O GLN A 88 20.918 3.070 26.693 1.00 0.00 ATOM 638 C GLN A 88 21.894 2.318 26.745 1.00 0.00 ATOM 639 N LEU A 89 22.004 1.239 27.647 1.00 0.00 ATOM 640 CA LEU A 89 20.924 0.979 28.598 1.00 0.00 ATOM 641 CB LEU A 89 21.266 -0.224 29.480 1.00 0.00 ATOM 642 CG LEU A 89 21.278 -1.590 28.790 1.00 0.00 ATOM 643 CD1 LEU A 89 21.806 -2.663 29.730 1.00 0.00 ATOM 644 CD2 LEU A 89 19.874 -1.984 28.356 1.00 0.00 ATOM 645 O LEU A 89 19.551 2.542 29.818 1.00 0.00 ATOM 646 C LEU A 89 20.691 2.190 29.507 1.00 0.00 ATOM 647 N PRO A 90 21.783 2.830 29.911 1.00 0.00 ATOM 648 CA PRO A 90 21.724 3.998 30.780 1.00 0.00 ATOM 649 CB PRO A 90 22.910 3.829 31.721 1.00 0.00 ATOM 650 CG PRO A 90 23.746 2.723 31.077 1.00 0.00 ATOM 651 CD PRO A 90 22.765 1.852 30.417 1.00 0.00 ATOM 652 O PRO A 90 21.070 6.304 30.668 1.00 0.00 ATOM 653 C PRO A 90 21.400 5.298 30.046 1.00 0.00 ATOM 654 N MET A 91 21.501 5.283 28.722 1.00 0.00 ATOM 655 CA MET A 91 21.199 6.474 27.941 1.00 0.00 ATOM 656 CB MET A 91 21.982 6.331 26.600 1.00 0.00 ATOM 657 CG MET A 91 21.313 5.287 25.705 1.00 0.00 ATOM 658 SD MET A 91 22.290 4.825 24.261 1.00 0.00 ATOM 659 CE MET A 91 21.103 4.919 22.956 1.00 0.00 ATOM 660 O MET A 91 18.855 6.000 27.719 1.00 0.00 ATOM 661 C MET A 91 19.734 6.864 27.791 1.00 0.00 ATOM 662 N GLN A 92 19.437 8.279 27.732 1.00 0.00 ATOM 663 CA GLN A 92 18.073 8.768 27.580 1.00 0.00 ATOM 664 CB GLN A 92 17.880 9.940 28.545 1.00 0.00 ATOM 665 CG GLN A 92 18.010 9.563 30.011 1.00 0.00 ATOM 666 CD GLN A 92 17.793 10.744 30.937 1.00 0.00 ATOM 667 OE1 GLN A 92 17.428 11.833 30.496 1.00 0.00 ATOM 668 NE2 GLN A 92 18.021 10.532 32.229 1.00 0.00 ATOM 669 O GLN A 92 16.642 9.545 25.812 1.00 0.00 ATOM 670 C GLN A 92 17.791 9.278 26.164 1.00 0.00 ATOM 671 N VAL A 93 18.827 9.411 25.340 1.00 0.00 ATOM 672 CA VAL A 93 18.670 9.883 23.992 1.00 0.00 ATOM 673 CB VAL A 93 18.030 11.368 24.049 1.00 0.00 ATOM 674 CG1 VAL A 93 16.705 11.319 24.820 1.00 0.00 ATOM 675 CG2 VAL A 93 18.988 12.353 24.719 1.00 0.00 ATOM 676 O VAL A 93 20.305 9.149 22.373 1.00 0.00 ATOM 677 C VAL A 93 19.241 8.948 22.939 1.00 0.00 ATOM 678 N SER A 94 18.509 7.882 22.706 1.00 0.00 ATOM 679 CA SER A 94 18.959 6.770 21.878 1.00 0.00 ATOM 680 CB SER A 94 17.983 5.600 22.030 1.00 0.00 ATOM 681 OG SER A 94 16.686 5.972 21.619 1.00 0.00 ATOM 682 O SER A 94 20.179 6.465 19.807 1.00 0.00 ATOM 683 C SER A 94 19.168 6.934 20.371 1.00 0.00 ATOM 684 N SER A 95 18.239 7.637 19.578 1.00 0.00 ATOM 685 CA SER A 95 18.434 7.803 18.164 1.00 0.00 ATOM 686 CB SER A 95 17.116 7.567 17.466 1.00 0.00 ATOM 687 OG SER A 95 16.123 8.467 17.944 1.00 0.00 ATOM 688 O SER A 95 19.030 10.058 18.762 1.00 0.00 ATOM 689 C SER A 95 18.977 9.179 17.872 1.00 0.00 ATOM 690 N ALA A 96 19.428 9.352 16.627 1.00 0.00 ATOM 691 CA ALA A 96 19.919 10.629 16.169 1.00 0.00 ATOM 692 CB ALA A 96 20.516 10.553 14.793 1.00 0.00 ATOM 693 O ALA A 96 19.069 12.807 16.798 1.00 0.00 ATOM 694 C ALA A 96 18.813 11.695 16.289 1.00 0.00 ATOM 695 N ALA A 97 17.550 11.354 15.910 1.00 0.00 ATOM 696 CA ALA A 97 16.462 12.337 15.996 1.00 0.00 ATOM 697 CB ALA A 97 15.127 11.856 15.372 1.00 0.00 ATOM 698 O ALA A 97 16.195 13.867 17.784 1.00 0.00 ATOM 699 C ALA A 97 16.226 12.677 17.452 1.00 0.00 ATOM 700 N ASP A 98 16.086 11.688 18.323 1.00 0.00 ATOM 701 CA ASP A 98 15.928 11.936 19.747 1.00 0.00 ATOM 702 CB ASP A 98 15.701 10.700 20.553 1.00 0.00 ATOM 703 CG ASP A 98 14.304 10.133 20.352 1.00 0.00 ATOM 704 OD1 ASP A 98 13.403 10.873 19.900 1.00 0.00 ATOM 705 OD2 ASP A 98 14.102 8.940 20.670 1.00 0.00 ATOM 706 O ASP A 98 17.058 13.587 21.057 1.00 0.00 ATOM 707 C ASP A 98 17.169 12.622 20.313 1.00 0.00 ATOM 708 N ALA A 99 18.346 12.114 19.960 1.00 0.00 ATOM 709 CA ALA A 99 19.600 12.692 20.445 1.00 0.00 ATOM 710 CB ALA A 99 20.794 11.866 19.945 1.00 0.00 ATOM 711 O ALA A 99 20.199 14.994 20.743 1.00 0.00 ATOM 712 C ALA A 99 19.776 14.128 19.978 1.00 0.00 ATOM 713 N ALA A 100 19.437 14.382 18.722 1.00 0.00 ATOM 714 CA ALA A 100 19.551 15.722 18.177 1.00 0.00 ATOM 715 CB ALA A 100 19.216 15.735 16.671 1.00 0.00 ATOM 716 O ALA A 100 18.949 17.787 19.236 1.00 0.00 ATOM 717 C ALA A 100 18.597 16.654 18.919 1.00 0.00 ATOM 718 N ARG A 101 17.391 16.169 19.204 1.00 0.00 ATOM 719 CA ARG A 101 16.402 16.973 19.912 1.00 0.00 ATOM 720 CB ARG A 101 15.069 16.247 20.008 1.00 0.00 ATOM 721 CG ARG A 101 14.408 16.022 18.657 1.00 0.00 ATOM 722 CD ARG A 101 13.102 15.280 18.805 1.00 0.00 ATOM 723 NE ARG A 101 12.427 15.127 17.521 1.00 0.00 ATOM 724 CZ ARG A 101 11.160 14.754 17.384 1.00 0.00 ATOM 725 NH1 ARG A 101 10.423 14.495 18.455 1.00 0.00 ATOM 726 NH2 ARG A 101 10.628 14.648 16.175 1.00 0.00 ATOM 727 O ARG A 101 16.809 18.518 21.702 1.00 0.00 ATOM 728 C ARG A 101 16.903 17.357 21.301 1.00 0.00 ATOM 729 N LEU A 102 17.460 16.391 22.027 1.00 0.00 ATOM 730 CA LEU A 102 17.970 16.674 23.363 1.00 0.00 ATOM 731 CB LEU A 102 18.316 15.324 24.044 1.00 0.00 ATOM 732 CG LEU A 102 18.947 15.513 25.423 1.00 0.00 ATOM 733 CD1 LEU A 102 17.967 16.158 26.413 1.00 0.00 ATOM 734 CD2 LEU A 102 19.330 14.102 25.928 1.00 0.00 ATOM 735 O LEU A 102 19.304 18.497 24.166 1.00 0.00 ATOM 736 C LEU A 102 19.180 17.606 23.329 1.00 0.00 ATOM 737 N ALA A 103 20.067 17.403 22.360 1.00 0.00 ATOM 738 CA ALA A 103 21.241 18.259 22.240 1.00 0.00 ATOM 739 CB ALA A 103 22.192 17.714 21.170 1.00 0.00 ATOM 740 O ALA A 103 21.393 20.644 22.452 1.00 0.00 ATOM 741 C ALA A 103 20.806 19.689 21.940 1.00 0.00 ATOM 742 N VAL A 104 19.750 19.837 21.118 1.00 0.00 ATOM 743 CA VAL A 104 19.234 21.155 20.781 1.00 0.00 ATOM 744 CB VAL A 104 18.128 21.071 19.713 1.00 0.00 ATOM 745 CG1 VAL A 104 17.558 22.454 19.438 1.00 0.00 ATOM 746 CG2 VAL A 104 18.694 20.468 18.436 1.00 0.00 ATOM 747 O VAL A 104 18.940 23.024 22.251 1.00 0.00 ATOM 748 C VAL A 104 18.703 21.839 22.034 1.00 0.00 ATOM 749 N ARG A 105 17.986 21.090 22.855 1.00 0.00 ATOM 750 CA ARG A 105 17.451 21.656 24.086 1.00 0.00 ATOM 751 CB ARG A 105 16.531 20.671 24.794 1.00 0.00 ATOM 752 CG ARG A 105 15.189 20.526 24.083 1.00 0.00 ATOM 753 CD ARG A 105 14.382 19.391 24.709 1.00 0.00 ATOM 754 NE ARG A 105 13.166 19.149 23.946 1.00 0.00 ATOM 755 CZ ARG A 105 12.024 19.809 24.105 1.00 0.00 ATOM 756 NH1 ARG A 105 11.924 20.756 25.025 1.00 0.00 ATOM 757 NH2 ARG A 105 10.979 19.493 23.347 1.00 0.00 ATOM 758 O ARG A 105 18.480 23.153 25.653 1.00 0.00 ATOM 759 C ARG A 105 18.562 22.092 25.035 1.00 0.00 ATOM 760 N MET A 106 19.605 21.273 25.149 1.00 0.00 ATOM 761 CA MET A 106 20.728 21.610 26.019 1.00 0.00 ATOM 762 CB MET A 106 21.717 20.483 26.136 1.00 0.00 ATOM 763 CG MET A 106 21.208 19.313 26.971 1.00 0.00 ATOM 764 SD MET A 106 22.257 17.867 26.846 1.00 0.00 ATOM 765 CE MET A 106 23.728 18.433 27.741 1.00 0.00 ATOM 766 O MET A 106 21.696 23.791 26.278 1.00 0.00 ATOM 767 C MET A 106 21.407 22.877 25.507 1.00 0.00 ATOM 768 N GLU A 107 21.646 22.908 24.199 1.00 0.00 ATOM 769 CA GLU A 107 22.290 24.064 23.573 1.00 0.00 ATOM 770 CB GLU A 107 22.525 23.805 22.084 1.00 0.00 ATOM 771 CG GLU A 107 23.193 24.958 21.352 1.00 0.00 ATOM 772 CD GLU A 107 24.622 25.185 21.803 1.00 0.00 ATOM 773 OE1 GLU A 107 25.166 24.315 22.515 1.00 0.00 ATOM 774 OE2 GLU A 107 25.196 26.236 21.447 1.00 0.00 ATOM 775 O GLU A 107 21.971 26.399 24.093 1.00 0.00 ATOM 776 C GLU A 107 21.447 25.331 23.749 1.00 0.00 ATOM 777 N ASN A 108 20.172 25.187 23.505 1.00 0.00 ATOM 778 CA ASN A 108 19.257 26.313 23.645 1.00 0.00 ATOM 779 CB ASN A 108 17.828 25.906 23.278 1.00 0.00 ATOM 780 CG ASN A 108 17.637 25.735 21.783 1.00 0.00 ATOM 781 ND2 ASN A 108 16.594 25.008 21.401 1.00 0.00 ATOM 782 OD1 ASN A 108 18.418 26.253 20.985 1.00 0.00 ATOM 783 O ASN A 108 19.242 28.063 25.287 1.00 0.00 ATOM 784 C ASN A 108 19.252 26.848 25.072 1.00 0.00 ATOM 785 N ASP A 109 19.264 25.936 26.076 1.00 0.00 ATOM 786 CA ASP A 109 19.271 26.355 27.473 1.00 0.00 ATOM 787 CB ASP A 109 19.194 25.138 28.396 1.00 0.00 ATOM 788 CG ASP A 109 17.829 24.480 28.381 1.00 0.00 ATOM 789 OD1 ASP A 109 16.877 25.098 27.856 1.00 0.00 ATOM 790 OD2 ASP A 109 17.708 23.348 28.894 1.00 0.00 ATOM 791 O ASP A 109 20.518 28.228 28.332 1.00 0.00 ATOM 792 C ASP A 109 20.549 27.145 27.746 1.00 0.00 ATOM 793 N GLY A 110 21.698 26.601 27.310 1.00 0.00 ATOM 794 CA GLY A 110 22.960 27.284 27.518 1.00 0.00 ATOM 795 O GLY A 110 23.585 29.580 27.346 1.00 0.00 ATOM 796 C GLY A 110 22.998 28.636 26.824 1.00 0.00 ATOM 797 N ALA A 111 22.412 28.714 25.634 1.00 0.00 ATOM 798 CA ALA A 111 22.394 29.969 24.880 1.00 0.00 ATOM 799 CB ALA A 111 21.665 29.865 23.550 1.00 0.00 ATOM 800 O ALA A 111 22.220 32.188 25.820 1.00 0.00 ATOM 801 C ALA A 111 21.702 31.069 25.704 1.00 0.00 ATOM 802 N THR A 112 20.560 30.723 26.291 1.00 0.00 ATOM 803 CA THR A 112 19.829 31.644 27.150 1.00 0.00 ATOM 804 CB THR A 112 18.584 30.977 27.762 1.00 0.00 ATOM 805 CG2 THR A 112 17.861 31.947 28.685 1.00 0.00 ATOM 806 OG1 THR A 112 17.688 30.579 26.715 1.00 0.00 ATOM 807 O THR A 112 20.808 33.269 28.609 1.00 0.00 ATOM 808 C THR A 112 20.733 32.086 28.268 1.00 0.00 ATOM 809 N ALA A 113 21.461 31.126 28.833 1.00 0.00 ATOM 810 CA ALA A 113 22.325 31.431 29.970 1.00 0.00 ATOM 811 CB ALA A 113 22.920 30.154 30.542 1.00 0.00 ATOM 812 O ALA A 113 23.748 33.346 30.332 1.00 0.00 ATOM 813 C ALA A 113 23.441 32.408 29.580 1.00 0.00 ATOM 814 N TRP A 114 24.079 32.151 28.475 1.00 0.00 ATOM 815 CA TRP A 114 25.185 32.993 28.060 1.00 0.00 ATOM 816 CB TRP A 114 25.857 32.494 26.780 1.00 0.00 ATOM 817 CG TRP A 114 26.732 31.297 26.989 1.00 0.00 ATOM 818 CD1 TRP A 114 26.486 30.021 26.572 1.00 0.00 ATOM 819 CD2 TRP A 114 27.994 31.262 27.667 1.00 0.00 ATOM 820 CE2 TRP A 114 28.455 29.932 27.622 1.00 0.00 ATOM 821 CE3 TRP A 114 28.777 32.227 28.308 1.00 0.00 ATOM 822 NE1 TRP A 114 27.516 29.191 26.947 1.00 0.00 ATOM 823 CZ2 TRP A 114 29.665 29.541 28.193 1.00 0.00 ATOM 824 CZ3 TRP A 114 29.977 31.834 28.872 1.00 0.00 ATOM 825 CH2 TRP A 114 30.411 30.506 28.813 1.00 0.00 ATOM 826 O TRP A 114 25.322 35.440 28.218 1.00 0.00 ATOM 827 C TRP A 114 24.646 34.430 27.852 1.00 0.00 ATOM 828 N ARG A 115 23.460 34.516 27.284 1.00 0.00 ATOM 829 CA ARG A 115 22.837 35.840 27.054 1.00 0.00 ATOM 830 CB ARG A 115 21.491 35.754 26.441 1.00 0.00 ATOM 831 CG ARG A 115 21.506 35.093 25.053 1.00 0.00 ATOM 832 CD ARG A 115 20.262 35.453 24.253 1.00 0.00 ATOM 833 NE ARG A 115 19.028 35.003 24.889 1.00 0.00 ATOM 834 CZ ARG A 115 18.560 33.759 24.828 1.00 0.00 ATOM 835 NH1 ARG A 115 19.226 32.830 24.156 1.00 0.00 ATOM 836 NH2 ARG A 115 17.422 33.444 25.435 1.00 0.00 ATOM 837 O ARG A 115 22.830 37.721 28.564 1.00 0.00 ATOM 838 C ARG A 115 22.628 36.513 28.420 1.00 0.00 ATOM 839 N ALA A 116 22.195 35.740 29.422 1.00 0.00 ATOM 840 CA ALA A 116 22.004 36.279 30.774 1.00 0.00 ATOM 841 CB ALA A 116 21.480 35.186 31.693 1.00 0.00 ATOM 842 O ALA A 116 23.365 37.897 31.922 1.00 0.00 ATOM 843 C ALA A 116 23.318 36.807 31.348 1.00 0.00 ATOM 844 N VAL A 117 24.374 36.053 31.137 1.00 0.00 ATOM 845 CA VAL A 117 25.689 36.445 31.633 1.00 0.00 ATOM 846 CB VAL A 117 26.748 35.362 31.355 1.00 0.00 ATOM 847 CG1 VAL A 117 28.139 35.878 31.690 1.00 0.00 ATOM 848 CG2 VAL A 117 26.477 34.127 32.199 1.00 0.00 ATOM 849 O VAL A 117 26.735 38.607 31.596 1.00 0.00 ATOM 850 C VAL A 117 26.176 37.720 30.950 1.00 0.00 ATOM 851 N VAL A 118 25.967 37.796 29.674 1.00 0.00 ATOM 852 CA VAL A 118 26.385 38.976 28.927 1.00 0.00 ATOM 853 CB VAL A 118 26.028 38.746 27.410 1.00 0.00 ATOM 854 CG1 VAL A 118 26.079 40.037 26.671 1.00 0.00 ATOM 855 CG2 VAL A 118 27.001 37.767 26.785 1.00 0.00 ATOM 856 O VAL A 118 26.373 41.295 29.594 1.00 0.00 ATOM 857 C VAL A 118 25.718 40.255 29.429 1.00 0.00 ATOM 858 N GLU A 119 24.432 40.153 29.708 1.00 0.00 ATOM 859 CA GLU A 119 23.690 41.258 30.303 1.00 0.00 ATOM 860 CB GLU A 119 22.216 40.882 30.475 1.00 0.00 ATOM 861 CG GLU A 119 21.442 40.791 29.171 1.00 0.00 ATOM 862 CD GLU A 119 20.012 40.330 29.372 1.00 0.00 ATOM 863 OE1 GLU A 119 19.652 39.997 30.521 1.00 0.00 ATOM 864 OE2 GLU A 119 19.252 40.301 28.382 1.00 0.00 ATOM 865 O GLU A 119 24.065 42.809 32.049 1.00 0.00 ATOM 866 C GLU A 119 24.231 41.681 31.671 1.00 0.00 ATOM 867 N HIS A 120 24.863 40.778 32.405 1.00 0.00 ATOM 868 CA HIS A 120 25.342 41.065 33.772 1.00 0.00 ATOM 869 CB HIS A 120 25.338 39.782 34.604 1.00 0.00 ATOM 870 CG HIS A 120 23.971 39.216 34.836 1.00 0.00 ATOM 871 CD2 HIS A 120 22.610 39.726 34.753 1.00 0.00 ATOM 872 ND1 HIS A 120 23.762 37.911 35.224 1.00 0.00 ATOM 873 CE1 HIS A 120 22.439 37.699 35.351 1.00 0.00 ATOM 874 NE2 HIS A 120 21.742 38.783 35.070 1.00 0.00 ATOM 875 O HIS A 120 27.301 41.905 34.862 1.00 0.00 ATOM 876 C HIS A 120 26.792 41.551 33.801 1.00 0.00 ATOM 877 N ALA A 121 27.407 41.539 32.675 1.00 0.00 ATOM 878 CA ALA A 121 28.775 42.035 32.603 1.00 0.00 ATOM 879 CB ALA A 121 29.504 41.414 31.423 1.00 0.00 ATOM 880 O ALA A 121 27.761 43.971 31.604 1.00 0.00 ATOM 881 C ALA A 121 28.610 43.531 32.375 1.00 0.00 ATOM 882 N GLU A 122 29.483 44.202 33.290 1.00 0.00 ATOM 883 CA GLU A 122 29.510 45.652 33.156 1.00 0.00 ATOM 884 CB GLU A 122 29.678 46.315 34.526 1.00 0.00 ATOM 885 CG GLU A 122 28.537 46.043 35.490 1.00 0.00 ATOM 886 CD GLU A 122 28.762 46.673 36.851 1.00 0.00 ATOM 887 OE1 GLU A 122 29.823 47.300 37.046 1.00 0.00 ATOM 888 OE2 GLU A 122 27.877 46.537 37.723 1.00 0.00 ATOM 889 O GLU A 122 30.557 47.112 31.562 1.00 0.00 ATOM 890 C GLU A 122 30.658 46.102 32.257 1.00 0.00 ATOM 891 N THR A 123 31.745 45.348 32.279 1.00 0.00 ATOM 892 CA THR A 123 32.885 45.595 31.423 1.00 0.00 ATOM 893 CB THR A 123 34.093 44.732 31.831 1.00 0.00 ATOM 894 CG2 THR A 123 35.284 45.027 30.934 1.00 0.00 ATOM 895 OG1 THR A 123 34.452 45.018 33.189 1.00 0.00 ATOM 896 O THR A 123 32.060 44.175 29.720 1.00 0.00 ATOM 897 C THR A 123 32.492 45.290 29.981 1.00 0.00 ATOM 898 N ALA A 124 32.646 46.288 29.066 1.00 0.00 ATOM 899 CA ALA A 124 32.221 46.084 27.669 1.00 0.00 ATOM 900 CB ALA A 124 32.444 47.393 26.929 1.00 0.00 ATOM 901 O ALA A 124 32.452 44.182 26.169 1.00 0.00 ATOM 902 C ALA A 124 32.965 44.963 26.978 1.00 0.00 ATOM 903 N ASP A 125 34.300 44.806 27.247 1.00 0.00 ATOM 904 CA ASP A 125 35.078 43.730 26.677 1.00 0.00 ATOM 905 CB ASP A 125 36.521 43.798 27.184 1.00 0.00 ATOM 906 CG ASP A 125 37.298 44.946 26.572 1.00 0.00 ATOM 907 OD1 ASP A 125 36.808 45.540 25.589 1.00 0.00 ATOM 908 OD2 ASP A 125 38.401 45.252 27.076 1.00 0.00 ATOM 909 O ASP A 125 34.439 41.452 26.247 1.00 0.00 ATOM 910 C ASP A 125 34.523 42.357 27.083 1.00 0.00 ATOM 911 N ASP A 126 34.153 42.209 28.359 1.00 0.00 ATOM 912 CA ASP A 126 33.590 40.936 28.811 1.00 0.00 ATOM 913 CB ASP A 126 33.239 41.084 30.292 1.00 0.00 ATOM 914 CG ASP A 126 34.455 40.974 31.192 1.00 0.00 ATOM 915 OD1 ASP A 126 35.524 40.560 30.698 1.00 0.00 ATOM 916 OD2 ASP A 126 34.338 41.303 32.391 1.00 0.00 ATOM 917 O ASP A 126 32.038 39.580 27.567 1.00 0.00 ATOM 918 C ASP A 126 32.288 40.690 28.049 1.00 0.00 ATOM 919 N ARG A 127 31.463 41.744 27.878 1.00 0.00 ATOM 920 CA ARG A 127 30.195 41.555 27.174 1.00 0.00 ATOM 921 CB ARG A 127 29.319 42.750 27.180 1.00 0.00 ATOM 922 CG ARG A 127 27.924 42.477 26.612 1.00 0.00 ATOM 923 CD ARG A 127 26.997 43.689 26.736 1.00 0.00 ATOM 924 NE ARG A 127 26.815 44.101 28.126 1.00 0.00 ATOM 925 CZ ARG A 127 27.344 45.199 28.662 1.00 0.00 ATOM 926 NH1 ARG A 127 28.084 46.018 27.924 1.00 0.00 ATOM 927 NH2 ARG A 127 27.161 45.461 29.948 1.00 0.00 ATOM 928 O ARG A 127 29.789 40.369 25.154 1.00 0.00 ATOM 929 C ARG A 127 30.469 41.198 25.699 1.00 0.00 ATOM 930 N VAL A 128 31.454 41.808 25.060 1.00 0.00 ATOM 931 CA VAL A 128 31.765 41.440 23.662 1.00 0.00 ATOM 932 CB VAL A 128 32.867 42.341 23.072 1.00 0.00 ATOM 933 CG1 VAL A 128 33.309 41.822 21.713 1.00 0.00 ATOM 934 CG2 VAL A 128 32.356 43.764 22.901 1.00 0.00 ATOM 935 O VAL A 128 31.842 39.255 22.663 1.00 0.00 ATOM 936 C VAL A 128 32.246 39.992 23.565 1.00 0.00 ATOM 937 N PHE A 129 33.068 39.569 24.518 1.00 0.00 ATOM 938 CA PHE A 129 33.576 38.202 24.501 1.00 0.00 ATOM 939 CB PHE A 129 34.546 37.977 25.662 1.00 0.00 ATOM 940 CG PHE A 129 35.117 36.589 25.715 1.00 0.00 ATOM 941 CD1 PHE A 129 36.154 36.219 24.876 1.00 0.00 ATOM 942 CD2 PHE A 129 34.617 35.652 26.603 1.00 0.00 ATOM 943 CE1 PHE A 129 36.679 34.941 24.925 1.00 0.00 ATOM 944 CE2 PHE A 129 35.143 34.375 26.651 1.00 0.00 ATOM 945 CZ PHE A 129 36.169 34.018 25.817 1.00 0.00 ATOM 946 O PHE A 129 32.358 36.222 23.858 1.00 0.00 ATOM 947 C PHE A 129 32.420 37.202 24.607 1.00 0.00 ATOM 948 N ALA A 130 31.517 37.462 25.517 1.00 0.00 ATOM 949 CA ALA A 130 30.374 36.574 25.705 1.00 0.00 ATOM 950 CB ALA A 130 29.585 37.025 26.926 1.00 0.00 ATOM 951 O ALA A 130 28.872 35.508 24.161 1.00 0.00 ATOM 952 C ALA A 130 29.429 36.556 24.499 1.00 0.00 ATOM 953 N SER A 131 29.226 37.708 23.844 1.00 0.00 ATOM 954 CA SER A 131 28.360 37.769 22.676 1.00 0.00 ATOM 955 CB SER A 131 28.249 39.207 22.167 1.00 0.00 ATOM 956 OG SER A 131 27.597 40.034 23.114 1.00 0.00 ATOM 957 O SER A 131 28.129 36.203 20.867 1.00 0.00 ATOM 958 C SER A 131 28.911 36.875 21.564 1.00 0.00 ATOM 959 N THR A 132 30.239 36.875 21.442 1.00 0.00 ATOM 960 CA THR A 132 30.888 35.976 20.422 1.00 0.00 ATOM 961 CB THR A 132 32.421 36.094 20.523 1.00 0.00 ATOM 962 CG2 THR A 132 33.094 35.122 19.568 1.00 0.00 ATOM 963 OG1 THR A 132 32.824 37.428 20.188 1.00 0.00 ATOM 964 O THR A 132 30.126 33.718 19.853 1.00 0.00 ATOM 965 C THR A 132 30.508 34.545 20.744 1.00 0.00 ATOM 966 N ALA A 133 30.606 34.094 21.994 1.00 0.00 ATOM 967 CA ALA A 133 30.260 32.759 22.416 1.00 0.00 ATOM 968 CB ALA A 133 30.542 32.602 23.903 1.00 0.00 ATOM 969 O ALA A 133 28.429 31.363 21.740 1.00 0.00 ATOM 970 C ALA A 133 28.783 32.461 22.176 1.00 0.00 ATOM 971 N LEU A 134 27.903 33.442 22.454 1.00 0.00 ATOM 972 CA LEU A 134 26.477 33.250 22.229 1.00 0.00 ATOM 973 CB LEU A 134 25.688 34.478 22.688 1.00 0.00 ATOM 974 CG LEU A 134 24.170 34.412 22.515 1.00 0.00 ATOM 975 CD1 LEU A 134 23.584 33.266 23.325 1.00 0.00 ATOM 976 CD2 LEU A 134 23.518 35.705 22.982 1.00 0.00 ATOM 977 O LEU A 134 25.353 32.235 20.367 1.00 0.00 ATOM 978 C LEU A 134 26.195 33.048 20.740 1.00 0.00 ATOM 979 N THR A 135 26.914 33.787 19.874 1.00 0.00 ATOM 980 CA THR A 135 26.747 33.663 18.428 1.00 0.00 ATOM 981 CB THR A 135 27.574 34.736 17.697 1.00 0.00 ATOM 982 CG2 THR A 135 27.418 34.595 16.191 1.00 0.00 ATOM 983 OG1 THR A 135 27.125 36.040 18.090 1.00 0.00 ATOM 984 O THR A 135 26.473 31.581 17.270 1.00 0.00 ATOM 985 C THR A 135 27.178 32.256 18.023 1.00 0.00 ATOM 986 N GLU A 136 28.322 31.800 18.531 1.00 0.00 ATOM 987 CA GLU A 136 28.787 30.459 18.193 1.00 0.00 ATOM 988 CB GLU A 136 30.171 30.213 18.798 1.00 0.00 ATOM 989 CG GLU A 136 31.284 31.020 18.149 1.00 0.00 ATOM 990 CD GLU A 136 32.616 30.846 18.852 1.00 0.00 ATOM 991 OE1 GLU A 136 32.654 30.152 19.891 1.00 0.00 ATOM 992 OE2 GLU A 136 33.622 31.404 18.365 1.00 0.00 ATOM 993 O GLU A 136 27.640 28.366 18.100 1.00 0.00 ATOM 994 C GLU A 136 27.852 29.396 18.740 1.00 0.00 ATOM 995 N SER A 137 27.271 29.620 19.925 1.00 0.00 ATOM 996 CA SER A 137 26.335 28.663 20.512 1.00 0.00 ATOM 997 CB SER A 137 25.957 29.104 21.928 1.00 0.00 ATOM 998 OG SER A 137 27.076 29.038 22.797 1.00 0.00 ATOM 999 O SER A 137 24.528 27.548 19.402 1.00 0.00 ATOM 1000 C SER A 137 25.071 28.607 19.653 1.00 0.00 ATOM 1001 N ALA A 138 24.612 29.795 19.175 1.00 0.00 ATOM 1002 CA ALA A 138 23.466 29.823 18.291 1.00 0.00 ATOM 1003 CB ALA A 138 23.157 31.269 17.936 1.00 0.00 ATOM 1004 O ALA A 138 22.780 28.351 16.517 1.00 0.00 ATOM 1005 C ALA A 138 23.697 29.005 17.021 1.00 0.00 ATOM 1006 N VAL A 139 24.928 29.047 16.484 1.00 0.00 ATOM 1007 CA VAL A 139 25.274 28.297 15.283 1.00 0.00 ATOM 1008 CB VAL A 139 26.654 28.711 14.738 1.00 0.00 ATOM 1009 CG1 VAL A 139 27.072 27.797 13.597 1.00 0.00 ATOM 1010 CG2 VAL A 139 26.615 30.141 14.217 1.00 0.00 ATOM 1011 O VAL A 139 24.833 26.007 14.765 1.00 0.00 ATOM 1012 C VAL A 139 25.251 26.799 15.597 1.00 0.00 ATOM 1013 N MET A 140 25.667 26.419 16.836 1.00 0.00 ATOM 1014 CA MET A 140 25.632 24.998 17.219 1.00 0.00 ATOM 1015 CB MET A 140 26.145 24.830 18.649 1.00 0.00 ATOM 1016 CG MET A 140 27.634 25.087 18.809 1.00 0.00 ATOM 1017 SD MET A 140 28.175 25.009 20.528 1.00 0.00 ATOM 1018 CE MET A 140 27.966 23.263 20.869 1.00 0.00 ATOM 1019 O MET A 140 23.910 23.500 16.616 1.00 0.00 ATOM 1020 C MET A 140 24.210 24.561 17.135 1.00 0.00 ATOM 1021 N ALA A 141 23.339 25.386 17.703 1.00 0.00 ATOM 1022 CA ALA A 141 21.901 25.146 17.708 1.00 0.00 ATOM 1023 CB ALA A 141 21.172 26.304 18.373 1.00 0.00 ATOM 1024 O ALA A 141 20.481 24.143 16.037 1.00 0.00 ATOM 1025 C ALA A 141 21.313 25.013 16.294 1.00 0.00 ATOM 1026 N THR A 142 21.708 25.901 15.417 1.00 0.00 ATOM 1027 CA THR A 142 21.249 25.864 14.032 1.00 0.00 ATOM 1028 CB THR A 142 21.866 27.006 13.205 1.00 0.00 ATOM 1029 CG2 THR A 142 21.449 26.895 11.748 1.00 0.00 ATOM 1030 OG1 THR A 142 21.421 28.267 13.721 1.00 0.00 ATOM 1031 O THR A 142 20.911 23.852 12.785 1.00 0.00 ATOM 1032 C THR A 142 21.689 24.536 13.446 1.00 0.00 ATOM 1033 N ARG A 143 22.883 24.153 13.700 1.00 0.00 ATOM 1034 CA ARG A 143 23.397 22.894 13.188 1.00 0.00 ATOM 1035 CB ARG A 143 24.872 22.728 13.557 1.00 0.00 ATOM 1036 CG ARG A 143 25.807 23.671 12.818 1.00 0.00 ATOM 1037 CD ARG A 143 27.248 23.484 13.267 1.00 0.00 ATOM 1038 NE ARG A 143 28.154 24.417 12.602 1.00 0.00 ATOM 1039 CZ ARG A 143 29.455 24.502 12.853 1.00 0.00 ATOM 1040 NH1 ARG A 143 30.201 25.381 12.199 1.00 0.00 ATOM 1041 NH2 ARG A 143 30.008 23.708 13.759 1.00 0.00 ATOM 1042 O ARG A 143 22.396 20.756 12.955 1.00 0.00 ATOM 1043 C ARG A 143 22.703 21.671 13.718 1.00 0.00 ATOM 1044 N TRP A 144 22.424 21.661 15.018 1.00 0.00 ATOM 1045 CA TRP A 144 21.624 20.594 15.623 1.00 0.00 ATOM 1046 CB TRP A 144 21.463 20.836 17.125 1.00 0.00 ATOM 1047 CG TRP A 144 22.701 20.545 17.916 1.00 0.00 ATOM 1048 CD1 TRP A 144 23.516 21.454 18.526 1.00 0.00 ATOM 1049 CD2 TRP A 144 23.265 19.256 18.184 1.00 0.00 ATOM 1050 CE2 TRP A 144 24.422 19.460 18.961 1.00 0.00 ATOM 1051 CE3 TRP A 144 22.906 17.949 17.841 1.00 0.00 ATOM 1052 NE1 TRP A 144 24.553 20.812 19.159 1.00 0.00 ATOM 1053 CZ2 TRP A 144 25.221 18.406 19.403 1.00 0.00 ATOM 1054 CZ3 TRP A 144 23.701 16.907 18.281 1.00 0.00 ATOM 1055 CH2 TRP A 144 24.844 17.139 19.053 1.00 0.00 ATOM 1056 O TRP A 144 19.796 19.393 14.642 1.00 0.00 ATOM 1057 C TRP A 144 20.247 20.491 14.974 1.00 0.00 ATOM 1058 N ASN A 145 19.553 21.647 14.777 1.00 0.00 ATOM 1059 CA ASN A 145 18.231 21.629 14.159 1.00 0.00 ATOM 1060 CB ASN A 145 17.604 23.022 14.247 1.00 0.00 ATOM 1061 CG ASN A 145 17.198 23.390 15.660 1.00 0.00 ATOM 1062 ND2 ASN A 145 17.055 24.684 15.917 1.00 0.00 ATOM 1063 OD1 ASN A 145 17.015 22.518 16.511 1.00 0.00 ATOM 1064 O ASN A 145 17.386 20.592 12.177 1.00 0.00 ATOM 1065 C ASN A 145 18.306 21.220 12.692 1.00 0.00 ATOM 1066 N ARG A 146 19.427 21.571 11.998 1.00 0.00 ATOM 1067 CA ARG A 146 19.590 21.183 10.601 1.00 0.00 ATOM 1068 CB ARG A 146 20.775 21.873 9.973 1.00 0.00 ATOM 1069 CG ARG A 146 20.674 23.392 9.997 1.00 0.00 ATOM 1070 CD ARG A 146 21.764 24.007 9.143 1.00 0.00 ATOM 1071 NE ARG A 146 21.584 23.657 7.739 1.00 0.00 ATOM 1072 CZ ARG A 146 22.537 23.735 6.818 1.00 0.00 ATOM 1073 NH1 ARG A 146 23.752 24.149 7.149 1.00 0.00 ATOM 1074 NH2 ARG A 146 22.269 23.397 5.564 1.00 0.00 ATOM 1075 O ARG A 146 19.119 19.030 9.656 1.00 0.00 ATOM 1076 C ARG A 146 19.744 19.650 10.489 1.00 0.00 ATOM 1077 N VAL A 147 20.547 19.063 11.365 1.00 0.00 ATOM 1078 CA VAL A 147 20.694 17.614 11.454 1.00 0.00 ATOM 1079 CB VAL A 147 21.724 17.214 12.527 1.00 0.00 ATOM 1080 CG1 VAL A 147 21.716 15.709 12.739 1.00 0.00 ATOM 1081 CG2 VAL A 147 23.123 17.632 12.103 1.00 0.00 ATOM 1082 O VAL A 147 19.037 15.902 11.153 1.00 0.00 ATOM 1083 C VAL A 147 19.376 16.914 11.767 1.00 0.00 ATOM 1084 N LEU A 148 18.622 17.459 12.731 1.00 0.00 ATOM 1085 CA LEU A 148 17.338 16.893 13.129 1.00 0.00 ATOM 1086 CB LEU A 148 16.652 17.733 14.208 1.00 0.00 ATOM 1087 CG LEU A 148 15.267 17.262 14.656 1.00 0.00 ATOM 1088 CD1 LEU A 148 15.343 15.870 15.268 1.00 0.00 ATOM 1089 CD2 LEU A 148 14.687 18.207 15.697 1.00 0.00 ATOM 1090 O LEU A 148 15.750 15.861 11.605 1.00 0.00 ATOM 1091 C LEU A 148 16.389 16.876 11.943 1.00 0.00 ATOM 1092 N GLY A 149 16.288 18.024 11.291 1.00 0.00 ATOM 1093 CA GLY A 149 15.388 18.179 10.153 1.00 0.00 ATOM 1094 O GLY A 149 14.859 17.064 8.109 1.00 0.00 ATOM 1095 C GLY A 149 15.744 17.416 8.890 1.00 0.00 ATOM 1096 N ALA A 150 17.113 17.170 8.725 1.00 0.00 ATOM 1097 CA ALA A 150 17.561 16.456 7.533 1.00 0.00 ATOM 1098 CB ALA A 150 18.853 17.105 7.060 1.00 0.00 ATOM 1099 O ALA A 150 17.904 14.289 6.581 1.00 0.00 ATOM 1100 C ALA A 150 17.924 14.987 7.600 1.00 0.00 ATOM 1101 N TRP A 151 18.425 14.556 8.693 1.00 0.00 ATOM 1102 CA TRP A 151 18.827 13.152 8.850 1.00 0.00 ATOM 1103 CB TRP A 151 20.339 13.050 9.063 1.00 0.00 ATOM 1104 CG TRP A 151 21.141 13.431 7.855 1.00 0.00 ATOM 1105 CD1 TRP A 151 21.823 14.598 7.661 1.00 0.00 ATOM 1106 CD2 TRP A 151 21.344 12.646 6.676 1.00 0.00 ATOM 1107 CE2 TRP A 151 22.160 13.399 5.809 1.00 0.00 ATOM 1108 CE3 TRP A 151 20.918 11.378 6.267 1.00 0.00 ATOM 1109 NE1 TRP A 151 22.439 14.588 6.434 1.00 0.00 ATOM 1110 CZ2 TRP A 151 22.558 12.926 4.558 1.00 0.00 ATOM 1111 CZ3 TRP A 151 21.314 10.915 5.027 1.00 0.00 ATOM 1112 CH2 TRP A 151 22.125 11.685 4.186 1.00 0.00 ATOM 1113 O TRP A 151 18.622 11.663 10.742 1.00 0.00 ATOM 1114 C TRP A 151 18.115 12.547 10.062 1.00 0.00 ATOM 1115 N PRO A 152 16.687 12.981 10.369 1.00 0.00 ATOM 1116 CA PRO A 152 15.927 12.462 11.501 1.00 0.00 ATOM 1117 CB PRO A 152 14.716 13.393 11.592 1.00 0.00 ATOM 1118 CG PRO A 152 14.530 13.900 10.202 1.00 0.00 ATOM 1119 CD PRO A 152 15.909 14.060 9.628 1.00 0.00 ATOM 1120 O PRO A 152 15.557 10.184 12.080 1.00 0.00 ATOM 1121 C PRO A 152 15.508 11.032 11.196 1.00 0.00 ATOM 1122 N ILE A 153 15.131 10.717 9.959 1.00 0.00 ATOM 1123 CA ILE A 153 14.767 9.362 9.561 1.00 0.00 ATOM 1124 CB ILE A 153 14.353 9.236 8.135 1.00 0.00 ATOM 1125 CG1 ILE A 153 12.899 9.706 7.978 1.00 0.00 ATOM 1126 CG2 ILE A 153 14.520 7.797 7.655 1.00 0.00 ATOM 1127 CD1 ILE A 153 12.612 10.333 6.648 1.00 0.00 ATOM 1128 O ILE A 153 15.738 7.371 10.386 1.00 0.00 ATOM 1129 C ILE A 153 15.923 8.399 9.750 1.00 0.00 ATOM 1130 N THR A 154 17.135 8.710 9.281 1.00 0.00 ATOM 1131 CA THR A 154 18.254 7.785 9.381 1.00 0.00 ATOM 1132 CB THR A 154 19.488 8.308 8.623 1.00 0.00 ATOM 1133 CG2 THR A 154 19.169 8.494 7.148 1.00 0.00 ATOM 1134 OG1 THR A 154 19.891 9.568 9.173 1.00 0.00 ATOM 1135 O THR A 154 19.013 6.494 11.209 1.00 0.00 ATOM 1136 C THR A 154 18.639 7.589 10.808 1.00 0.00 ATOM 1137 N ALA A 155 18.473 8.698 11.650 1.00 0.00 ATOM 1138 CA ALA A 155 18.785 8.639 13.055 1.00 0.00 ATOM 1139 CB ALA A 155 18.824 10.040 13.649 1.00 0.00 ATOM 1140 O ALA A 155 18.090 7.148 14.850 1.00 0.00 ATOM 1141 C ALA A 155 17.747 7.823 13.867 1.00 0.00 ATOM 1142 N ALA A 156 16.469 7.922 13.475 1.00 0.00 ATOM 1143 CA ALA A 156 15.378 7.239 14.156 1.00 0.00 ATOM 1144 CB ALA A 156 14.042 7.849 13.763 1.00 0.00 ATOM 1145 O ALA A 156 14.697 4.977 14.559 1.00 0.00 ATOM 1146 C ALA A 156 15.314 5.750 13.828 1.00 0.00 ATOM 1147 N PHE A 157 15.951 5.348 12.732 1.00 0.00 ATOM 1148 CA PHE A 157 15.959 3.948 12.316 1.00 0.00 ATOM 1149 CB PHE A 157 15.071 3.754 11.084 1.00 0.00 ATOM 1150 CG PHE A 157 13.644 4.171 11.295 1.00 0.00 ATOM 1151 CD1 PHE A 157 13.189 5.395 10.835 1.00 0.00 ATOM 1152 CD2 PHE A 157 12.754 3.338 11.953 1.00 0.00 ATOM 1153 CE1 PHE A 157 11.876 5.778 11.029 1.00 0.00 ATOM 1154 CE2 PHE A 157 11.440 3.722 12.147 1.00 0.00 ATOM 1155 CZ PHE A 157 11.000 4.935 11.689 1.00 0.00 ATOM 1156 O PHE A 157 17.712 3.296 10.808 1.00 0.00 ATOM 1157 C PHE A 157 17.388 3.535 11.973 1.00 0.00 ATOM 1158 N PRO A 158 18.246 3.446 13.016 1.00 0.00 ATOM 1159 CA PRO A 158 19.642 3.062 12.763 1.00 0.00 ATOM 1160 CB PRO A 158 20.348 3.330 14.093 1.00 0.00 ATOM 1161 CG PRO A 158 19.280 3.168 15.122 1.00 0.00 ATOM 1162 CD PRO A 158 18.011 3.670 14.490 1.00 0.00 ATOM 1163 O PRO A 158 20.810 1.095 11.989 1.00 0.00 ATOM 1164 C PRO A 158 19.735 1.591 12.364 1.00 0.00 ATOM 1165 N GLY A 159 18.499 0.921 12.417 1.00 0.00 ATOM 1166 CA GLY A 159 18.344 -0.468 12.028 1.00 0.00 ATOM 1167 O GLY A 159 18.262 -1.732 10.007 1.00 0.00 ATOM 1168 C GLY A 159 18.322 -0.615 10.516 1.00 0.00 ATOM 1169 N GLY A 160 18.356 0.515 9.770 1.00 0.00 ATOM 1170 CA GLY A 160 18.365 0.444 8.317 1.00 0.00 ATOM 1171 O GLY A 160 16.903 0.686 6.424 1.00 0.00 ATOM 1172 C GLY A 160 17.015 0.756 7.649 1.00 0.00 ATOM 1173 N ASP A 161 16.002 1.102 8.475 1.00 0.00 ATOM 1174 CA ASP A 161 14.697 1.448 7.942 1.00 0.00 ATOM 1175 CB ASP A 161 13.590 0.991 8.893 1.00 0.00 ATOM 1176 CG ASP A 161 13.404 -0.514 8.891 1.00 0.00 ATOM 1177 OD1 ASP A 161 13.908 -1.172 7.959 1.00 0.00 ATOM 1178 OD2 ASP A 161 12.757 -1.034 9.825 1.00 0.00 ATOM 1179 O ASP A 161 14.592 3.722 8.701 1.00 0.00 ATOM 1180 C ASP A 161 14.496 2.937 7.739 1.00 0.00 ATOM 1181 N GLU A 162 14.145 3.288 6.553 1.00 0.00 ATOM 1182 CA GLU A 162 13.994 4.706 6.261 1.00 0.00 ATOM 1183 CB GLU A 162 13.152 4.672 4.846 1.00 0.00 ATOM 1184 CG GLU A 162 13.554 3.664 3.797 1.00 0.00 ATOM 1185 CD GLU A 162 12.389 3.225 2.930 1.00 0.00 ATOM 1186 OE1 GLU A 162 11.593 4.094 2.500 1.00 0.00 ATOM 1187 OE2 GLU A 162 12.269 2.003 2.688 1.00 0.00 ATOM 1188 O GLU A 162 12.935 6.277 7.700 1.00 0.00 ATOM 1189 C GLU A 162 12.763 5.308 6.930 1.00 0.00 ENDMDL EXPDTA 2ib0A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2ib0A ATOM 1 N SER 17 20.062 14.439 48.641 1.00 0.00 ATOM 2 CA SER 17 21.392 15.089 48.929 1.00 0.00 ATOM 3 CB SER 17 22.410 14.043 49.413 1.00 0.00 ATOM 4 OG SER 17 23.668 14.228 48.791 1.00 0.00 ATOM 5 O SER 17 21.594 15.560 46.568 1.00 0.00 ATOM 6 C SER 17 21.933 15.864 47.713 1.00 0.00 ATOM 7 N GLU 18 22.775 16.860 47.960 1.00 0.00 ATOM 8 CA GLU 18 23.225 17.783 46.907 1.00 0.00 ATOM 9 CB GLU 18 23.831 19.065 47.540 1.00 0.00 ATOM 10 CG GLU 18 22.884 19.863 48.437 1.00 0.00 ATOM 11 CD GLU 18 21.706 20.424 47.665 1.00 0.00 ATOM 12 OE1 GLU 18 21.717 20.399 46.411 1.00 0.00 ATOM 13 OE2 GLU 18 20.740 20.883 48.290 1.00 0.00 ATOM 14 O GLU 18 24.219 17.448 44.731 1.00 0.00 ATOM 15 C GLU 18 24.239 17.170 45.940 1.00 0.00 ATOM 16 N GLY 19 25.158 16.393 46.516 1.00 0.00 ATOM 17 CA GLY 19 26.269 15.798 45.804 1.00 0.00 ATOM 18 O GLY 19 26.184 14.226 44.027 1.00 0.00 ATOM 19 C GLY 19 25.727 14.591 45.104 1.00 0.00 ATOM 20 N SER 20 24.736 13.984 45.745 1.00 0.00 ATOM 21 CA SER 20 23.868 12.969 45.146 1.00 0.00 ATOM 22 CB SER 20 22.804 12.557 46.155 1.00 0.00 ATOM 23 OG SER 20 22.242 11.310 45.808 1.00 0.00 ATOM 24 O SER 20 23.314 12.704 42.836 1.00 0.00 ATOM 25 C SER 20 23.217 13.420 43.827 1.00 0.00 ATOM 26 N ALA 21 22.596 14.611 43.806 1.00 0.00 ATOM 27 CA ALA 21 21.980 15.148 42.583 1.00 0.00 ATOM 28 CB ALA 21 21.083 16.364 42.906 1.00 0.00 ATOM 29 O ALA 21 22.827 15.326 40.324 1.00 0.00 ATOM 30 C ALA 21 23.039 15.531 41.521 1.00 0.00 ATOM 31 N ASP 22 24.173 16.076 41.986 1.00 0.00 ATOM 32 CA ASP 22 25.330 16.421 41.144 1.00 0.00 ATOM 33 CB ASP 22 26.436 17.055 42.028 1.00 0.00 ATOM 34 CG ASP 22 27.503 17.797 41.233 1.00 0.00 ATOM 35 OD1 ASP 22 27.531 17.714 39.963 1.00 0.00 ATOM 36 OD2 ASP 22 28.317 18.515 41.899 1.00 0.00 ATOM 37 O ASP 22 25.910 15.177 39.153 1.00 0.00 ATOM 38 C ASP 22 25.840 15.172 40.390 1.00 0.00 ATOM 39 N ASN 23 26.166 14.104 41.125 1.00 0.00 ATOM 40 CA ASN 23 26.579 12.826 40.518 1.00 0.00 ATOM 41 CB ASN 23 26.910 11.788 41.611 1.00 0.00 ATOM 42 CG ASN 23 28.144 12.171 42.414 1.00 0.00 ATOM 43 ND2 ASN 23 28.426 11.421 43.471 1.00 0.00 ATOM 44 OD1 ASN 23 28.832 13.143 42.086 1.00 0.00 ATOM 45 O ASN 23 25.902 11.726 38.479 1.00 0.00 ATOM 46 C ASN 23 25.557 12.241 39.562 1.00 0.00 ATOM 47 N ALA 24 24.293 12.290 39.981 1.00 0.00 ATOM 48 CA ALA 24 23.230 11.778 39.159 1.00 0.00 ATOM 49 CB ALA 24 21.901 11.784 39.895 1.00 0.00 ATOM 50 O ALA 24 22.961 11.928 36.829 1.00 0.00 ATOM 51 C ALA 24 23.133 12.548 37.879 1.00 0.00 ATOM 52 N ALA 25 23.253 13.890 37.937 1.00 0.00 ATOM 53 CA ALA 25 23.159 14.658 36.723 1.00 0.00 ATOM 54 CB ALA 25 23.084 16.202 37.029 1.00 0.00 ATOM 55 O ALA 25 24.160 14.323 34.596 1.00 0.00 ATOM 56 C ALA 25 24.327 14.340 35.786 1.00 0.00 ATOM 57 N LEU 26 25.534 14.183 36.316 1.00 0.00 ATOM 58 CA LEU 26 26.683 14.047 35.435 1.00 0.00 ATOM 59 CB LEU 26 27.971 14.413 36.192 1.00 0.00 ATOM 60 CG LEU 26 29.293 14.400 35.407 1.00 0.00 ATOM 61 CD1 LEU 26 29.349 15.435 34.318 1.00 0.00 ATOM 62 CD2 LEU 26 30.532 14.458 36.309 1.00 0.00 ATOM 63 O LEU 26 27.231 12.474 33.674 1.00 0.00 ATOM 64 C LEU 26 26.760 12.636 34.828 1.00 0.00 ATOM 65 N CYS 27 26.324 11.630 35.609 1.00 0.00 ATOM 66 CA CYS 27 26.133 10.281 35.094 1.00 0.00 ATOM 67 CB CYS 27 25.765 9.261 36.208 1.00 0.00 ATOM 68 SG CYS 27 27.158 8.874 37.316 1.00 0.00 ATOM 69 O CYS 27 25.358 9.658 32.949 1.00 0.00 ATOM 70 C CYS 27 25.108 10.257 33.971 1.00 0.00 ATOM 71 N ASP 28 23.963 10.925 34.142 1.00 0.00 ATOM 72 CA ASP 28 22.973 11.018 33.044 1.00 0.00 ATOM 73 CB ASP 28 21.785 11.886 33.417 1.00 0.00 ATOM 74 CG ASP 28 20.885 11.249 34.439 1.00 0.00 ATOM 75 OD1 ASP 28 20.882 10.009 34.565 1.00 0.00 ATOM 76 OD2 ASP 28 20.196 12.020 35.145 1.00 0.00 ATOM 77 O ASP 28 23.272 11.223 30.690 1.00 0.00 ATOM 78 C ASP 28 23.578 11.647 31.792 1.00 0.00 ATOM 79 N ALA 29 24.463 12.615 31.970 1.00 0.00 ATOM 80 CA ALA 29 24.932 13.410 30.845 1.00 0.00 ATOM 81 CB ALA 29 25.580 14.690 31.336 1.00 0.00 ATOM 82 O ALA 29 25.971 12.580 28.890 1.00 0.00 ATOM 83 C ALA 29 25.933 12.564 30.108 1.00 0.00 ATOM 84 N LEU 30 26.708 11.788 30.869 1.00 0.00 ATOM 85 CA LEU 30 27.665 10.835 30.293 1.00 0.00 ATOM 86 CB LEU 30 28.519 10.168 31.381 1.00 0.00 ATOM 87 CG LEU 30 29.432 9.081 30.823 1.00 0.00 ATOM 88 CD1 LEU 30 30.284 9.598 29.670 1.00 0.00 ATOM 89 CD2 LEU 30 30.299 8.372 31.940 1.00 0.00 ATOM 90 O LEU 30 27.456 9.372 28.385 1.00 0.00 ATOM 91 C LEU 30 26.966 9.751 29.455 1.00 0.00 ATOM 92 N ALA 31 25.851 9.246 29.985 1.00 0.00 ATOM 93 CA ALA 31 24.990 8.267 29.312 1.00 0.00 ATOM 94 CB ALA 31 23.885 7.774 30.252 1.00 0.00 ATOM 95 O ALA 31 24.304 8.179 27.044 1.00 0.00 ATOM 96 C ALA 31 24.408 8.850 28.040 1.00 0.00 ATOM 97 N VAL 32 24.051 10.120 28.056 1.00 0.00 ATOM 98 CA VAL 32 23.584 10.775 26.841 1.00 0.00 ATOM 99 CB VAL 32 22.941 12.145 27.156 1.00 0.00 ATOM 100 CG1 VAL 32 22.737 12.970 25.854 1.00 0.00 ATOM 101 CG2 VAL 32 21.600 11.942 27.908 1.00 0.00 ATOM 102 O VAL 32 24.501 10.614 24.597 1.00 0.00 ATOM 103 C VAL 32 24.722 10.886 25.790 1.00 0.00 ATOM 104 N GLU 33 25.917 11.276 26.239 1.00 0.00 ATOM 105 CA GLU 33 27.129 11.296 25.395 1.00 0.00 ATOM 106 CB GLU 33 28.366 11.755 26.204 1.00 0.00 ATOM 107 CG GLU 33 28.370 13.271 26.589 1.00 0.00 ATOM 108 CD GLU 33 28.165 14.227 25.395 1.00 0.00 ATOM 109 OE1 GLU 33 28.749 14.017 24.306 1.00 0.00 ATOM 110 OE2 GLU 33 27.437 15.224 25.546 1.00 0.00 ATOM 111 O GLU 33 27.699 9.940 23.513 1.00 0.00 ATOM 112 C GLU 33 27.449 9.958 24.712 1.00 0.00 ATOM 113 N HIS 34 27.477 8.850 25.454 1.00 0.00 ATOM 114 CA HIS 34 27.666 7.541 24.826 1.00 0.00 ATOM 115 CB HIS 34 27.576 6.427 25.854 1.00 0.00 ATOM 116 CG HIS 34 28.787 6.328 26.723 1.00 0.00 ATOM 117 CD2 HIS 34 30.103 6.359 26.420 1.00 0.00 ATOM 118 ND1 HIS 34 28.715 6.163 28.088 1.00 0.00 ATOM 119 CE1 HIS 34 29.934 6.084 28.595 1.00 0.00 ATOM 120 NE2 HIS 34 30.796 6.221 27.604 1.00 0.00 ATOM 121 O HIS 34 27.010 6.867 22.607 1.00 0.00 ATOM 122 C HIS 34 26.641 7.290 23.705 1.00 0.00 ATOM 123 N ALA 35 25.369 7.587 24.005 1.00 0.00 ATOM 124 CA ALA 35 24.252 7.392 23.095 1.00 0.00 ATOM 125 CB ALA 35 22.944 7.620 23.809 1.00 0.00 ATOM 126 O ALA 35 23.905 7.893 20.778 1.00 0.00 ATOM 127 C ALA 35 24.341 8.292 21.870 1.00 0.00 ATOM 128 N THR 36 24.923 9.483 22.035 1.00 0.00 ATOM 129 CA THR 36 25.132 10.419 20.935 1.00 0.00 ATOM 130 CB THR 36 25.448 11.831 21.443 1.00 0.00 ATOM 131 CG2 THR 36 25.743 12.731 20.309 1.00 0.00 ATOM 132 OG1 THR 36 24.285 12.315 22.078 1.00 0.00 ATOM 133 O THR 36 26.081 10.113 18.782 1.00 0.00 ATOM 134 C THR 36 26.242 10.009 19.997 1.00 0.00 ATOM 135 N ILE 37 27.365 9.565 20.568 1.00 0.00 ATOM 136 CA ILE 37 28.496 9.072 19.807 1.00 0.00 ATOM 137 CB ILE 37 29.699 8.689 20.750 1.00 0.00 ATOM 138 CG1 ILE 37 30.293 9.945 21.388 1.00 0.00 ATOM 139 CG2 ILE 37 30.724 7.695 20.067 1.00 0.00 ATOM 140 CD1 ILE 37 30.897 9.656 22.758 1.00 0.00 ATOM 141 O ILE 37 28.379 7.765 17.786 1.00 0.00 ATOM 142 C ILE 37 28.058 7.851 18.972 1.00 0.00 ATOM 143 N TYR 38 27.293 6.950 19.577 1.00 0.00 ATOM 144 CA TYR 38 26.712 5.828 18.833 1.00 0.00 ATOM 145 CB TYR 38 25.944 4.923 19.800 1.00 0.00 ATOM 146 CG TYR 38 25.051 3.875 19.206 1.00 0.00 ATOM 147 CD1 TYR 38 25.571 2.628 18.842 1.00 0.00 ATOM 148 CD2 TYR 38 23.667 4.079 19.068 1.00 0.00 ATOM 149 CE1 TYR 38 24.753 1.615 18.318 1.00 0.00 ATOM 150 CE2 TYR 38 22.831 3.034 18.546 1.00 0.00 ATOM 151 CZ TYR 38 23.388 1.831 18.171 1.00 0.00 ATOM 152 OH TYR 38 22.625 0.773 17.697 1.00 0.00 ATOM 153 O TYR 38 25.867 5.825 16.565 1.00 0.00 ATOM 154 C TYR 38 25.814 6.339 17.689 1.00 0.00 ATOM 155 N GLY 39 25.010 7.367 17.958 1.00 0.00 ATOM 156 CA GLY 39 24.062 7.831 16.964 1.00 0.00 ATOM 157 O GLY 39 24.252 8.461 14.664 1.00 0.00 ATOM 158 C GLY 39 24.748 8.490 15.788 1.00 0.00 ATOM 159 N TYR 40 25.874 9.147 16.046 1.00 0.00 ATOM 160 CA TYR 40 26.577 9.815 14.957 1.00 0.00 ATOM 161 CB TYR 40 27.595 10.817 15.470 1.00 0.00 ATOM 162 CG TYR 40 27.110 12.244 15.596 1.00 0.00 ATOM 163 CD1 TYR 40 26.985 12.848 16.839 1.00 0.00 ATOM 164 CD2 TYR 40 26.761 12.991 14.454 1.00 0.00 ATOM 165 CE1 TYR 40 26.531 14.203 16.953 1.00 0.00 ATOM 166 CE2 TYR 40 26.304 14.291 14.554 1.00 0.00 ATOM 167 CZ TYR 40 26.184 14.903 15.818 1.00 0.00 ATOM 168 OH TYR 40 25.766 16.227 15.913 1.00 0.00 ATOM 169 O TYR 40 27.522 9.183 12.875 1.00 0.00 ATOM 170 C TYR 40 27.244 8.824 13.999 1.00 0.00 ATOM 171 N GLY 41 27.513 7.595 14.459 1.00 0.00 ATOM 172 CA GLY 41 27.883 6.524 13.548 1.00 0.00 ATOM 173 O GLY 41 27.118 6.129 11.314 1.00 0.00 ATOM 174 C GLY 41 26.806 6.349 12.479 1.00 0.00 ATOM 175 N ILE 42 25.539 6.402 12.889 1.00 0.00 ATOM 176 CA ILE 42 24.433 6.255 11.956 1.00 0.00 ATOM 177 CB ILE 42 23.127 5.888 12.683 1.00 0.00 ATOM 178 CG1 ILE 42 23.199 4.427 13.176 1.00 0.00 ATOM 179 CG2 ILE 42 21.929 5.952 11.728 1.00 0.00 ATOM 180 CD1 ILE 42 23.950 4.259 14.518 1.00 0.00 ATOM 181 O ILE 42 24.099 7.421 9.881 1.00 0.00 ATOM 182 C ILE 42 24.272 7.516 11.088 1.00 0.00 ATOM 183 N VAL 43 24.366 8.690 11.705 1.00 0.00 ATOM 184 CA VAL 43 24.368 9.942 10.965 1.00 0.00 ATOM 185 CB VAL 43 24.643 11.138 11.899 1.00 0.00 ATOM 186 CG1 VAL 43 24.820 12.446 11.112 1.00 0.00 ATOM 187 CG2 VAL 43 23.535 11.265 12.920 1.00 0.00 ATOM 188 O VAL 43 25.094 10.091 8.679 1.00 0.00 ATOM 189 C VAL 43 25.407 9.847 9.852 1.00 0.00 ATOM 190 N SER 44 26.618 9.414 10.190 1.00 0.00 ATOM 191 CA SER 44 27.677 9.311 9.191 1.00 0.00 ATOM 192 CB SER 44 28.978 8.935 9.912 1.00 0.00 ATOM 193 OG SER 44 30.003 8.677 8.977 1.00 0.00 ATOM 194 O SER 44 27.627 8.638 6.854 1.00 0.00 ATOM 195 C SER 44 27.410 8.315 8.034 1.00 0.00 ATOM 196 N ALA 45 26.992 7.090 8.383 1.00 0.00 ATOM 197 CA ALA 45 26.714 6.034 7.416 1.00 0.00 ATOM 198 CB ALA 45 26.324 4.768 8.137 1.00 0.00 ATOM 199 O ALA 45 25.677 5.982 5.278 1.00 0.00 ATOM 200 C ALA 45 25.627 6.417 6.430 1.00 0.00 ATOM 201 N LEU 46 24.627 7.169 6.895 1.00 0.00 ATOM 202 CA LEU 46 23.542 7.627 6.043 1.00 0.00 ATOM 203 CB LEU 46 22.299 7.961 6.868 1.00 0.00 ATOM 204 CG LEU 46 21.362 6.859 7.370 1.00 0.00 ATOM 205 CD1 LEU 46 20.615 7.416 8.534 1.00 0.00 ATOM 206 CD2 LEU 46 20.417 6.363 6.312 1.00 0.00 ATOM 207 O LEU 46 23.629 8.848 3.954 1.00 0.00 ATOM 208 C LEU 46 23.875 8.872 5.190 1.00 0.00 ATOM 209 N SER 47 24.434 9.900 5.871 1.00 0.00 ATOM 210 CA SER 47 24.657 11.349 5.414 1.00 0.00 ATOM 211 CB SER 47 25.566 12.069 6.345 1.00 0.00 ATOM 212 OG SER 47 24.846 12.334 7.524 1.00 0.00 ATOM 213 O SER 47 25.804 10.636 3.493 1.00 0.00 ATOM 214 C SER 47 25.061 11.498 3.958 1.00 0.00 ATOM 215 N PRO 48 24.857 12.689 3.324 1.00 0.00 ATOM 216 CA PRO 48 25.870 13.396 2.506 1.00 0.00 ATOM 217 CB PRO 48 25.255 14.774 2.250 1.00 0.00 ATOM 218 CG PRO 48 23.806 14.523 2.304 1.00 0.00 ATOM 219 CD PRO 48 23.721 13.607 3.548 1.00 0.00 ATOM 220 O PRO 48 27.648 13.941 3.899 1.00 0.00 ATOM 221 C PRO 48 27.321 13.442 2.842 1.00 0.00 ATOM 222 N PRO 49 28.200 13.002 1.875 1.00 0.00 ATOM 223 CA PRO 49 29.631 13.419 1.873 1.00 0.00 ATOM 224 CB PRO 49 30.116 13.095 0.446 1.00 0.00 ATOM 225 CG PRO 49 29.133 12.097 -0.098 1.00 0.00 ATOM 226 CD PRO 49 27.865 12.125 0.723 1.00 0.00 ATOM 227 O PRO 49 30.795 15.301 2.839 1.00 0.00 ATOM 228 C PRO 49 29.807 14.935 2.175 1.00 0.00 ATOM 229 N GLY 50 28.850 15.770 1.705 1.00 0.00 ATOM 230 CA GLY 50 28.770 17.236 1.962 1.00 0.00 ATOM 231 O GLY 50 29.011 18.874 3.723 1.00 0.00 ATOM 232 C GLY 50 28.789 17.705 3.431 1.00 0.00 ATOM 233 N VAL 51 28.513 16.803 4.367 1.00 0.00 ATOM 234 CA VAL 51 28.523 17.180 5.778 1.00 0.00 ATOM 235 CB VAL 51 27.106 17.054 6.430 1.00 0.00 ATOM 236 CG1 VAL 51 26.108 17.991 5.777 1.00 0.00 ATOM 237 CG2 VAL 51 26.623 15.602 6.377 1.00 0.00 ATOM 238 O VAL 51 29.388 16.170 7.783 1.00 0.00 ATOM 239 C VAL 51 29.513 16.306 6.565 1.00 0.00 ATOM 240 N ASN 52 30.464 15.656 5.901 1.00 0.00 ATOM 241 CA ASN 52 31.382 14.919 6.753 1.00 0.00 ATOM 242 CB ASN 52 31.744 13.404 6.464 1.00 0.00 ATOM 243 CG ASN 52 31.230 12.833 5.136 1.00 0.00 ATOM 244 ND2 ASN 52 32.140 12.754 4.152 1.00 0.00 ATOM 245 OD1 ASN 52 30.066 12.328 5.044 1.00 0.00 ATOM 246 O ASN 52 32.875 15.100 8.546 1.00 0.00 ATOM 247 C ASN 52 32.421 15.634 7.551 1.00 0.00 ATOM 248 N PHE 53 32.712 16.874 7.179 1.00 0.00 ATOM 249 CA PHE 53 33.418 17.817 8.049 1.00 0.00 ATOM 250 CB PHE 53 33.600 19.182 7.371 1.00 0.00 ATOM 251 CG PHE 53 34.784 19.260 6.405 1.00 0.00 ATOM 252 CD1 PHE 53 36.014 18.618 6.697 1.00 0.00 ATOM 253 CD2 PHE 53 34.682 20.019 5.213 1.00 0.00 ATOM 254 CE1 PHE 53 37.110 18.694 5.797 1.00 0.00 ATOM 255 CE2 PHE 53 35.771 20.117 4.314 1.00 0.00 ATOM 256 CZ PHE 53 36.987 19.450 4.606 1.00 0.00 ATOM 257 O PHE 53 33.243 18.038 10.411 1.00 0.00 ATOM 258 C PHE 53 32.648 18.020 9.359 1.00 0.00 ATOM 259 N LEU 54 31.322 18.173 9.262 1.00 0.00 ATOM 260 CA LEU 54 30.431 18.373 10.409 1.00 0.00 ATOM 261 CB LEU 54 29.049 18.827 9.913 1.00 0.00 ATOM 262 CG LEU 54 27.895 19.272 10.852 1.00 0.00 ATOM 263 CD1 LEU 54 28.365 20.300 11.867 1.00 0.00 ATOM 264 CD2 LEU 54 26.611 19.795 10.103 1.00 0.00 ATOM 265 O LEU 54 30.499 17.201 12.538 1.00 0.00 ATOM 266 C LEU 54 30.363 17.124 11.304 1.00 0.00 ATOM 267 N VAL 55 30.179 15.966 10.683 1.00 0.00 ATOM 268 CA VAL 55 30.122 14.716 11.409 1.00 0.00 ATOM 269 CB VAL 55 29.854 13.493 10.489 1.00 0.00 ATOM 270 CG1 VAL 55 30.005 12.161 11.292 1.00 0.00 ATOM 271 CG2 VAL 55 28.451 13.585 9.836 1.00 0.00 ATOM 272 O VAL 55 31.392 14.225 13.350 1.00 0.00 ATOM 273 C VAL 55 31.428 14.496 12.151 1.00 0.00 ATOM 274 N ALA 56 32.569 14.597 11.462 1.00 0.00 ATOM 275 CA ALA 56 33.871 14.422 12.120 1.00 0.00 ATOM 276 CB ALA 56 35.035 14.633 11.135 1.00 0.00 ATOM 277 O ALA 56 34.480 14.914 14.404 1.00 0.00 ATOM 278 C ALA 56 34.041 15.354 13.325 1.00 0.00 ATOM 279 N ASP 57 33.741 16.646 13.113 1.00 0.00 ATOM 280 CA ASP 57 33.755 17.668 14.156 1.00 0.00 ATOM 281 CB ASP 57 33.140 18.979 13.615 1.00 0.00 ATOM 282 CG ASP 57 34.121 19.861 12.867 1.00 0.00 ATOM 283 OD1 ASP 57 35.338 19.535 12.805 1.00 0.00 ATOM 284 OD2 ASP 57 33.641 20.917 12.340 1.00 0.00 ATOM 285 O ASP 57 33.349 17.326 16.471 1.00 0.00 ATOM 286 C ASP 57 32.903 17.260 15.352 1.00 0.00 ATOM 287 N ALA 58 31.633 16.924 15.100 1.00 0.00 ATOM 288 CA ALA 58 30.717 16.547 16.172 1.00 0.00 ATOM 289 CB ALA 58 29.315 16.287 15.618 1.00 0.00 ATOM 290 O ALA 58 31.230 15.319 18.188 1.00 0.00 ATOM 291 C ALA 58 31.247 15.322 16.963 1.00 0.00 ATOM 292 N LEU 59 31.744 14.313 16.252 1.00 0.00 ATOM 293 CA LEU 59 32.236 13.087 16.889 1.00 0.00 ATOM 294 CB LEU 59 32.502 11.969 15.862 1.00 0.00 ATOM 295 CG LEU 59 31.367 11.034 15.439 1.00 0.00 ATOM 296 CD1 LEU 59 31.758 10.261 14.211 1.00 0.00 ATOM 297 CD2 LEU 59 31.042 10.084 16.574 1.00 0.00 ATOM 298 O LEU 59 33.566 12.770 18.833 1.00 0.00 ATOM 299 C LEU 59 33.477 13.310 17.754 1.00 0.00 ATOM 300 N LYS 60 34.403 14.145 17.305 1.00 0.00 ATOM 301 CA LYS 60 35.604 14.446 18.090 1.00 0.00 ATOM 302 CB LYS 60 36.634 15.167 17.215 1.00 0.00 ATOM 303 CG LYS 60 37.808 15.806 17.929 1.00 0.00 ATOM 304 CD LYS 60 38.609 16.737 16.979 1.00 0.00 ATOM 305 CE LYS 60 38.078 18.207 16.997 1.00 0.00 ATOM 306 NZ LYS 60 39.113 19.265 16.573 1.00 0.00 ATOM 307 O LYS 60 35.700 14.960 20.446 1.00 0.00 ATOM 308 C LYS 60 35.232 15.246 19.345 1.00 0.00 ATOM 309 N GLN 61 34.366 16.232 19.175 1.00 0.00 ATOM 310 CA GLN 61 33.806 16.997 20.301 1.00 0.00 ATOM 311 CB GLN 61 32.850 18.061 19.778 1.00 0.00 ATOM 312 CG GLN 61 32.179 18.876 20.864 1.00 0.00 ATOM 313 CD GLN 61 31.193 19.878 20.263 1.00 0.00 ATOM 314 OE1 GLN 61 29.990 19.624 20.182 1.00 0.00 ATOM 315 NE2 GLN 61 31.718 20.978 19.778 1.00 0.00 ATOM 316 O GLN 61 33.346 16.268 22.579 1.00 0.00 ATOM 317 C GLN 61 33.110 16.116 21.376 1.00 0.00 ATOM 318 N HIS 62 32.257 15.208 20.924 1.00 0.00 ATOM 319 CA HIS 62 31.618 14.285 21.860 1.00 0.00 ATOM 320 CB HIS 62 30.466 13.556 21.216 1.00 0.00 ATOM 321 CG HIS 62 29.327 14.434 20.884 1.00 0.00 ATOM 322 CD2 HIS 62 28.937 14.977 19.707 1.00 0.00 ATOM 323 ND1 HIS 62 28.446 14.893 21.840 1.00 0.00 ATOM 324 CE1 HIS 62 27.557 15.681 21.262 1.00 0.00 ATOM 325 NE2 HIS 62 27.816 15.726 19.964 1.00 0.00 ATOM 326 O HIS 62 32.453 13.007 23.675 1.00 0.00 ATOM 327 C HIS 62 32.568 13.268 22.486 1.00 0.00 ATOM 328 N ARG 63 33.473 12.681 21.706 1.00 0.00 ATOM 329 CA ARG 63 34.396 11.684 22.252 1.00 0.00 ATOM 330 CB ARG 63 35.237 11.001 21.171 1.00 0.00 ATOM 331 CG ARG 63 34.468 10.014 20.352 1.00 0.00 ATOM 332 CD ARG 63 35.215 9.665 19.123 1.00 0.00 ATOM 333 NE ARG 63 34.583 8.510 18.517 1.00 0.00 ATOM 334 CZ ARG 63 34.576 8.227 17.217 1.00 0.00 ATOM 335 NH1 ARG 63 35.170 9.049 16.354 1.00 0.00 ATOM 336 NH2 ARG 63 33.960 7.115 16.787 1.00 0.00 ATOM 337 O ARG 63 35.463 11.715 24.381 1.00 0.00 ATOM 338 C ARG 63 35.276 12.307 23.318 1.00 0.00 ATOM 339 N HIS 64 35.734 13.538 23.048 1.00 0.00 ATOM 340 CA HIS 64 36.581 14.274 23.968 1.00 0.00 ATOM 341 CB HIS 64 37.162 15.540 23.288 1.00 0.00 ATOM 342 CG HIS 64 38.172 16.273 24.126 1.00 0.00 ATOM 343 CD2 HIS 64 39.525 16.181 24.184 1.00 0.00 ATOM 344 ND1 HIS 64 37.823 17.244 25.049 1.00 0.00 ATOM 345 CE1 HIS 64 38.909 17.708 25.644 1.00 0.00 ATOM 346 NE2 HIS 64 39.957 17.084 25.136 1.00 0.00 ATOM 347 O HIS 64 36.305 14.430 26.342 1.00 0.00 ATOM 348 C HIS 64 35.806 14.632 25.247 1.00 0.00 ATOM 349 N ARG 65 34.593 15.174 25.102 1.00 0.00 ATOM 350 CA ARG 65 33.735 15.466 26.238 1.00 0.00 ATOM 351 CB ARG 65 32.400 15.994 25.740 1.00 0.00 ATOM 352 CG ARG 65 31.536 16.552 26.832 1.00 0.00 ATOM 353 CD ARG 65 30.212 16.966 26.260 1.00 0.00 ATOM 354 NE ARG 65 30.339 18.086 25.348 1.00 0.00 ATOM 355 CZ ARG 65 29.520 18.319 24.328 1.00 0.00 ATOM 356 NH1 ARG 65 28.517 17.482 24.078 1.00 0.00 ATOM 357 NH2 ARG 65 29.703 19.386 23.545 1.00 0.00 ATOM 358 O ARG 65 33.618 14.286 28.323 1.00 0.00 ATOM 359 C ARG 65 33.490 14.223 27.108 1.00 0.00 ATOM 360 N ARG 66 33.115 13.115 26.474 1.00 0.00 ATOM 361 CA ARG 66 32.915 11.801 27.144 1.00 0.00 ATOM 362 CB ARG 66 32.592 10.718 26.121 1.00 0.00 ATOM 363 CG ARG 66 32.749 9.217 26.685 1.00 0.00 ATOM 364 CD ARG 66 32.882 8.214 25.534 1.00 0.00 ATOM 365 NE ARG 66 34.165 8.275 24.817 1.00 0.00 ATOM 366 CZ ARG 66 34.411 7.671 23.646 1.00 0.00 ATOM 367 NH1 ARG 66 33.481 6.957 23.027 1.00 0.00 ATOM 368 NH2 ARG 66 35.602 7.773 23.086 1.00 0.00 ATOM 369 O ARG 66 33.984 11.054 29.174 1.00 0.00 ATOM 370 C ARG 66 34.124 11.377 27.988 1.00 0.00 ATOM 371 N ASP 67 35.310 11.379 27.382 1.00 0.00 ATOM 372 CA ASP 67 36.550 11.071 28.111 1.00 0.00 ATOM 373 CB ASP 67 37.745 11.081 27.160 1.00 0.00 ATOM 374 CG ASP 67 37.619 10.043 26.023 1.00 0.00 ATOM 375 OD1 ASP 67 36.729 9.148 26.058 1.00 0.00 ATOM 376 OD2 ASP 67 38.417 10.133 25.069 1.00 0.00 ATOM 377 O ASP 67 37.141 11.599 30.354 1.00 0.00 ATOM 378 C ASP 67 36.776 12.022 29.265 1.00 0.00 ATOM 379 N ASP 68 36.559 13.320 29.043 1.00 0.00 ATOM 380 CA ASP 68 36.621 14.318 30.119 1.00 0.00 ATOM 381 CB ASP 68 36.298 15.706 29.560 1.00 0.00 ATOM 382 CG ASP 68 37.519 16.439 28.994 1.00 0.00 ATOM 383 OD1 ASP 68 38.634 15.920 29.041 1.00 0.00 ATOM 384 OD2 ASP 68 37.360 17.572 28.484 1.00 0.00 ATOM 385 O ASP 68 36.130 14.222 32.494 1.00 0.00 ATOM 386 C ASP 68 35.709 14.041 31.345 1.00 0.00 ATOM 387 N VAL 69 34.466 13.648 31.084 1.00 0.00 ATOM 388 CA VAL 69 33.483 13.284 32.101 1.00 0.00 ATOM 389 CB VAL 69 32.060 13.129 31.461 1.00 0.00 ATOM 390 CG1 VAL 69 31.027 12.630 32.499 1.00 0.00 ATOM 391 CG2 VAL 69 31.637 14.461 30.807 1.00 0.00 ATOM 392 O VAL 69 33.601 11.872 34.005 1.00 0.00 ATOM 393 C VAL 69 33.858 11.992 32.817 1.00 0.00 ATOM 394 N ILE 70 34.431 11.018 32.100 1.00 0.00 ATOM 395 CA ILE 70 34.975 9.800 32.740 1.00 0.00 ATOM 396 CB ILE 70 35.487 8.781 31.683 1.00 0.00 ATOM 397 CG1 ILE 70 34.273 8.228 30.905 1.00 0.00 ATOM 398 CG2 ILE 70 36.343 7.633 32.323 1.00 0.00 ATOM 399 CD1 ILE 70 34.576 7.365 29.669 1.00 0.00 ATOM 400 O ILE 70 35.983 9.652 34.936 1.00 0.00 ATOM 401 C ILE 70 36.025 10.161 33.812 1.00 0.00 ATOM 402 N VAL 71 36.919 11.091 33.482 1.00 0.00 ATOM 403 CA VAL 71 37.914 11.575 34.431 1.00 0.00 ATOM 404 CB VAL 71 38.957 12.508 33.718 1.00 0.00 ATOM 405 CG1 VAL 71 39.841 13.266 34.727 1.00 0.00 ATOM 406 CG2 VAL 71 39.816 11.699 32.740 1.00 0.00 ATOM 407 O VAL 71 37.539 11.965 36.777 1.00 0.00 ATOM 408 C VAL 71 37.227 12.265 35.631 1.00 0.00 ATOM 409 N MET 72 36.279 13.163 35.361 1.00 0.00 ATOM 410 CA MET 72 35.558 13.913 36.421 1.00 0.00 ATOM 411 CB MET 72 34.497 14.839 35.829 1.00 0.00 ATOM 412 CG MET 72 35.024 16.101 35.177 1.00 0.00 ATOM 413 SD MET 72 33.835 16.896 34.067 1.00 0.00 ATOM 414 CE MET 72 32.848 17.848 35.220 1.00 0.00 ATOM 415 O MET 72 35.013 13.176 38.641 1.00 0.00 ATOM 416 C MET 72 34.881 12.985 37.425 1.00 0.00 ATOM 417 N LEU 73 34.163 11.986 36.923 1.00 0.00 ATOM 418 CA LEU 73 33.474 11.029 37.793 1.00 0.00 ATOM 419 CB LEU 73 32.550 10.085 36.999 1.00 0.00 ATOM 420 CG LEU 73 31.337 10.788 36.331 1.00 0.00 ATOM 421 CD1 LEU 73 30.657 9.882 35.298 1.00 0.00 ATOM 422 CD2 LEU 73 30.298 11.265 37.359 1.00 0.00 ATOM 423 O LEU 73 34.193 10.040 39.852 1.00 0.00 ATOM 424 C LEU 73 34.476 10.267 38.672 1.00 0.00 ATOM 425 N SER 74 35.649 9.923 38.116 1.00 0.00 ATOM 426 CA SER 74 36.740 9.321 38.905 1.00 0.00 ATOM 427 CB SER 74 37.884 8.847 38.003 1.00 0.00 ATOM 428 OG SER 74 37.404 7.871 37.092 1.00 0.00 ATOM 429 O SER 74 37.478 9.766 41.174 1.00 0.00 ATOM 430 C SER 74 37.270 10.221 40.029 1.00 0.00 ATOM 431 N ALA 75 37.472 11.500 39.719 1.00 0.00 ATOM 432 CA ALA 75 37.853 12.478 40.736 1.00 0.00 ATOM 433 CB ALA 75 38.056 13.850 40.107 1.00 0.00 ATOM 434 O ALA 75 37.212 12.879 43.030 1.00 0.00 ATOM 435 C ALA 75 36.842 12.546 41.900 1.00 0.00 ATOM 436 N ARG 76 35.585 12.209 41.615 1.00 0.00 ATOM 437 CA ARG 76 34.510 12.204 42.596 1.00 0.00 ATOM 438 CB ARG 76 33.178 12.506 41.912 1.00 0.00 ATOM 439 CG ARG 76 33.091 13.874 41.264 1.00 0.00 ATOM 440 CD ARG 76 31.710 14.074 40.702 1.00 0.00 ATOM 441 NE ARG 76 31.500 15.421 40.155 1.00 0.00 ATOM 442 CZ ARG 76 30.302 15.915 39.882 1.00 0.00 ATOM 443 NH1 ARG 76 29.209 15.179 40.112 1.00 0.00 ATOM 444 NH2 ARG 76 30.188 17.121 39.345 1.00 0.00 ATOM 445 O ARG 76 33.559 10.809 44.319 1.00 0.00 ATOM 446 C ARG 76 34.361 10.877 43.378 1.00 0.00 ATOM 447 N GLY 77 35.096 9.835 42.979 1.00 0.00 ATOM 448 CA GLY 77 34.934 8.500 43.568 1.00 0.00 ATOM 449 O GLY 77 33.231 6.800 43.573 1.00 0.00 ATOM 450 C GLY 77 33.780 7.729 42.960 1.00 0.00 ATOM 451 N VAL 78 33.416 8.086 41.736 1.00 0.00 ATOM 452 CA VAL 78 32.337 7.409 41.039 1.00 0.00 ATOM 453 CB VAL 78 31.221 8.416 40.566 1.00 0.00 ATOM 454 CG1 VAL 78 30.143 7.713 39.765 1.00 0.00 ATOM 455 CG2 VAL 78 30.608 9.174 41.759 1.00 0.00 ATOM 456 O VAL 78 33.637 7.254 39.020 1.00 0.00 ATOM 457 C VAL 78 32.917 6.665 39.835 1.00 0.00 ATOM 458 N THR 79 32.610 5.381 39.716 1.00 0.00 ATOM 459 CA THR 79 33.000 4.642 38.518 1.00 0.00 ATOM 460 CB THR 79 33.035 3.107 38.742 1.00 0.00 ATOM 461 CG2 THR 79 34.138 2.688 39.766 1.00 0.00 ATOM 462 OG1 THR 79 31.750 2.677 39.206 1.00 0.00 ATOM 463 O THR 79 30.767 4.763 37.637 1.00 0.00 ATOM 464 C THR 79 31.973 4.963 37.439 1.00 0.00 ATOM 465 N ALA 80 32.453 5.493 36.316 1.00 0.00 ATOM 466 CA ALA 80 31.598 5.927 35.208 1.00 0.00 ATOM 467 CB ALA 80 32.471 6.489 34.091 1.00 0.00 ATOM 468 O ALA 80 31.068 3.652 34.554 1.00 0.00 ATOM 469 C ALA 80 30.660 4.826 34.665 1.00 0.00 ATOM 470 N PRO 81 29.389 5.197 34.352 1.00 0.00 ATOM 471 CA PRO 81 28.613 4.367 33.423 1.00 0.00 ATOM 472 CB PRO 81 27.349 5.218 33.132 1.00 0.00 ATOM 473 CG PRO 81 27.633 6.598 33.681 1.00 0.00 ATOM 474 CD PRO 81 28.596 6.348 34.831 1.00 0.00 ATOM 475 O PRO 81 29.964 5.084 31.549 1.00 0.00 ATOM 476 C PRO 81 29.412 4.131 32.130 1.00 0.00 ATOM 477 N ILE 82 29.509 2.867 31.721 1.00 0.00 ATOM 478 CA ILE 82 30.126 2.514 30.437 1.00 0.00 ATOM 479 CB ILE 82 30.943 1.190 30.525 1.00 0.00 ATOM 480 CG1 ILE 82 30.021 -0.024 30.722 1.00 0.00 ATOM 481 CG2 ILE 82 32.012 1.299 31.637 1.00 0.00 ATOM 482 CD1 ILE 82 30.586 -1.334 30.199 1.00 0.00 ATOM 483 O ILE 82 27.845 2.402 29.654 1.00 0.00 ATOM 484 C ILE 82 29.043 2.453 29.343 1.00 0.00 ATOM 485 N ALA 83 29.442 2.479 28.073 1.00 0.00 ATOM 486 CA ALA 83 28.446 2.465 27.000 1.00 0.00 ATOM 487 CB ALA 83 29.091 2.813 25.661 1.00 0.00 ATOM 488 O ALA 83 28.268 0.055 27.278 1.00 0.00 ATOM 489 C ALA 83 27.707 1.105 26.928 1.00 0.00 ATOM 490 N ALA 84 26.434 1.151 26.514 1.00 0.00 ATOM 491 CA ALA 84 25.678 -0.049 26.156 1.00 0.00 ATOM 492 CB ALA 84 24.153 0.226 26.194 1.00 0.00 ATOM 493 O ALA 84 26.629 0.374 23.973 1.00 0.00 ATOM 494 C ALA 84 26.147 -0.473 24.750 1.00 0.00 ATOM 495 N ALA 85 26.031 -1.772 24.447 1.00 0.00 ATOM 496 CA ALA 85 26.389 -2.363 23.126 1.00 0.00 ATOM 497 CB ALA 85 26.154 -3.873 23.158 1.00 0.00 ATOM 498 O ALA 85 26.254 -1.243 20.970 1.00 0.00 ATOM 499 C ALA 85 25.638 -1.711 21.944 1.00 0.00 ATOM 500 N GLY 86 24.306 -1.693 22.047 1.00 0.00 ATOM 501 CA GLY 86 23.445 -0.858 21.206 1.00 0.00 ATOM 502 O GLY 86 22.447 -0.034 23.260 1.00 0.00 ATOM 503 C GLY 86 22.544 0.067 22.024 1.00 0.00 ATOM 504 N TYR 87 21.916 1.013 21.327 1.00 0.00 ATOM 505 CA TYR 87 20.924 1.923 21.909 1.00 0.00 ATOM 506 CB TYR 87 21.417 3.373 21.973 1.00 0.00 ATOM 507 CG TYR 87 22.497 3.557 23.023 1.00 0.00 ATOM 508 CD1 TYR 87 22.178 3.932 24.337 1.00 0.00 ATOM 509 CD2 TYR 87 23.844 3.313 22.718 1.00 0.00 ATOM 510 CE1 TYR 87 23.180 4.051 25.309 1.00 0.00 ATOM 511 CE2 TYR 87 24.842 3.467 23.674 1.00 0.00 ATOM 512 CZ TYR 87 24.504 3.819 24.960 1.00 0.00 ATOM 513 OH TYR 87 25.502 3.914 25.893 1.00 0.00 ATOM 514 O TYR 87 19.780 1.298 19.918 1.00 0.00 ATOM 515 C TYR 87 19.708 1.806 21.028 1.00 0.00 ATOM 516 N GLN 88 18.576 2.209 21.566 1.00 0.00 ATOM 517 CA GLN 88 17.433 2.503 20.767 1.00 0.00 ATOM 518 CB GLN 88 16.207 2.262 21.637 1.00 0.00 ATOM 519 CG GLN 88 14.910 2.749 21.092 1.00 0.00 ATOM 520 CD GLN 88 14.485 1.994 19.872 1.00 0.00 ATOM 521 OE1 GLN 88 14.033 2.595 18.906 1.00 0.00 ATOM 522 NE2 GLN 88 14.625 0.665 19.895 1.00 0.00 ATOM 523 O GLN 88 17.718 4.843 21.312 1.00 0.00 ATOM 524 C GLN 88 17.654 4.002 20.413 1.00 0.00 ATOM 525 N LEU 89 17.842 4.317 19.127 1.00 0.00 ATOM 526 CA LEU 89 17.914 5.707 18.666 1.00 0.00 ATOM 527 CB LEU 89 18.130 5.797 17.139 1.00 0.00 ATOM 528 CG LEU 89 19.399 5.279 16.459 1.00 0.00 ATOM 529 CD1 LEU 89 19.316 5.500 14.941 1.00 0.00 ATOM 530 CD2 LEU 89 20.620 5.910 17.039 1.00 0.00 ATOM 531 O LEU 89 15.526 5.902 19.085 1.00 0.00 ATOM 532 C LEU 89 16.633 6.484 19.044 1.00 0.00 ATOM 533 N PRO 90 16.771 7.807 19.267 1.00 0.00 ATOM 534 CA PRO 90 15.612 8.660 19.589 1.00 0.00 ATOM 535 CB PRO 90 16.242 10.025 19.891 1.00 0.00 ATOM 536 CG PRO 90 17.610 10.009 19.325 1.00 0.00 ATOM 537 CD PRO 90 18.039 8.562 19.232 1.00 0.00 ATOM 538 O PRO 90 13.374 9.112 18.751 1.00 0.00 ATOM 539 C PRO 90 14.533 8.743 18.481 1.00 0.00 ATOM 540 N MET 91 14.895 8.362 17.250 1.00 0.00 ATOM 541 CA MET 91 13.946 8.328 16.143 1.00 0.00 ATOM 542 CB MET 91 13.856 9.696 15.453 1.00 0.00 ATOM 543 CG MET 91 15.102 10.092 14.659 1.00 0.00 ATOM 544 SD MET 91 15.022 11.779 14.030 1.00 0.00 ATOM 545 CE MET 91 14.406 11.536 12.371 1.00 0.00 ATOM 546 O MET 91 15.538 6.891 15.079 1.00 0.00 ATOM 547 C MET 91 14.367 7.280 15.126 1.00 0.00 ATOM 548 N GLN 92 13.399 6.861 14.320 1.00 0.00 ATOM 549 CA GLN 92 13.643 6.039 13.148 1.00 0.00 ATOM 550 CB GLN 92 12.342 5.395 12.676 1.00 0.00 ATOM 551 CG GLN 92 11.672 4.600 13.772 1.00 0.00 ATOM 552 CD GLN 92 10.954 3.457 13.216 1.00 0.00 ATOM 553 OE1 GLN 92 10.050 3.632 12.401 1.00 0.00 ATOM 554 NE2 GLN 92 11.368 2.244 13.596 1.00 0.00 ATOM 555 O GLN 92 13.924 8.025 11.786 1.00 0.00 ATOM 556 C GLN 92 14.250 6.827 12.006 1.00 0.00 ATOM 557 N VAL 93 15.135 6.160 11.278 1.00 0.00 ATOM 558 CA VAL 93 15.820 6.760 10.149 1.00 0.00 ATOM 559 CB VAL 93 17.281 7.206 10.514 1.00 0.00 ATOM 560 CG1 VAL 93 17.271 8.231 11.690 1.00 0.00 ATOM 561 CG2 VAL 93 18.179 6.037 10.859 1.00 0.00 ATOM 562 O VAL 93 15.790 4.587 9.153 1.00 0.00 ATOM 563 C VAL 93 15.798 5.803 8.967 1.00 0.00 ATOM 564 N SER 94 15.793 6.341 7.751 1.00 0.00 ATOM 565 CA SER 94 15.900 5.506 6.579 1.00 0.00 ATOM 566 CB SER 94 14.539 4.989 6.157 1.00 0.00 ATOM 567 OG SER 94 13.706 6.043 5.796 1.00 0.00 ATOM 568 O SER 94 16.806 5.589 4.375 1.00 0.00 ATOM 569 C SER 94 16.600 6.188 5.411 1.00 0.00 ATOM 570 N SER 95 16.978 7.450 5.571 1.00 0.00 ATOM 571 CA SER 95 17.714 8.074 4.486 1.00 0.00 ATOM 572 CB SER 95 16.764 8.556 3.375 1.00 0.00 ATOM 573 OG SER 95 16.090 9.723 3.856 1.00 0.00 ATOM 574 O SER 95 18.482 9.612 6.162 1.00 0.00 ATOM 575 C SER 95 18.564 9.214 4.996 1.00 0.00 ATOM 576 N ALA 96 19.411 9.710 4.084 1.00 0.00 ATOM 577 CA ALA 96 20.228 10.909 4.305 1.00 0.00 ATOM 578 CB ALA 96 20.971 11.308 2.961 1.00 0.00 ATOM 579 O ALA 96 20.228 12.730 5.841 1.00 0.00 ATOM 580 C ALA 96 19.579 12.104 4.999 1.00 0.00 ATOM 581 N ALA 97 18.298 12.408 4.740 1.00 0.00 ATOM 582 CA ALA 97 17.596 13.525 5.458 1.00 0.00 ATOM 583 CB ALA 97 16.407 13.981 4.702 1.00 0.00 ATOM 584 O ALA 97 17.164 14.158 7.775 1.00 0.00 ATOM 585 C ALA 97 17.198 13.245 6.898 1.00 0.00 ATOM 586 N ASP 98 16.892 11.985 7.181 1.00 0.00 ATOM 587 CA ASP 98 16.544 11.610 8.539 1.00 0.00 ATOM 588 CB ASP 98 16.151 10.166 8.623 1.00 0.00 ATOM 589 CG ASP 98 14.910 9.864 7.866 1.00 0.00 ATOM 590 OD1 ASP 98 14.043 10.753 7.771 1.00 0.00 ATOM 591 OD2 ASP 98 14.802 8.724 7.379 1.00 0.00 ATOM 592 O ASP 98 17.523 12.052 10.659 1.00 0.00 ATOM 593 C ASP 98 17.720 11.827 9.475 1.00 0.00 ATOM 594 N ALA 99 18.924 11.738 8.934 1.00 0.00 ATOM 595 CA ALA 99 20.149 11.731 9.750 1.00 0.00 ATOM 596 CB ALA 99 21.325 11.226 8.937 1.00 0.00 ATOM 597 O ALA 99 20.937 13.169 11.513 1.00 0.00 ATOM 598 C ALA 99 20.487 13.105 10.359 1.00 0.00 ATOM 599 N ALA 100 20.344 14.155 9.560 1.00 0.00 ATOM 600 CA ALA 100 20.355 15.553 10.049 1.00 0.00 ATOM 601 CB ALA 100 20.222 16.506 8.885 1.00 0.00 ATOM 602 O ALA 100 19.605 16.470 12.167 1.00 0.00 ATOM 603 C ALA 100 19.290 15.847 11.163 1.00 0.00 ATOM 604 N ARG 101 18.054 15.366 10.998 1.00 0.00 ATOM 605 CA ARG 101 17.076 15.467 12.063 1.00 0.00 ATOM 606 CB ARG 101 15.712 14.942 11.597 1.00 0.00 ATOM 607 CG ARG 101 14.941 15.936 10.726 1.00 0.00 ATOM 608 CD ARG 101 13.455 15.462 10.449 1.00 0.00 ATOM 609 NE ARG 101 13.348 14.355 9.457 1.00 0.00 ATOM 610 CZ ARG 101 13.474 14.518 8.128 1.00 0.00 ATOM 611 NH1 ARG 101 13.772 15.726 7.625 1.00 0.00 ATOM 612 NH2 ARG 101 13.347 13.479 7.299 1.00 0.00 ATOM 613 O ARG 101 17.276 15.135 14.438 1.00 0.00 ATOM 614 C ARG 101 17.513 14.699 13.314 1.00 0.00 ATOM 615 N LEU 102 18.111 13.533 13.115 1.00 0.00 ATOM 616 CA LEU 102 18.598 12.734 14.234 1.00 0.00 ATOM 617 CB LEU 102 19.201 11.392 13.733 1.00 0.00 ATOM 618 CG LEU 102 19.878 10.456 14.748 1.00 0.00 ATOM 619 CD1 LEU 102 18.935 10.110 15.888 1.00 0.00 ATOM 620 CD2 LEU 102 20.371 9.183 14.029 1.00 0.00 ATOM 621 O LEU 102 19.692 13.538 16.178 1.00 0.00 ATOM 622 C LEU 102 19.670 13.526 14.962 1.00 0.00 ATOM 623 N ALA 103 20.593 14.091 14.203 1.00 0.00 ATOM 624 CA ALA 103 21.687 14.890 14.780 1.00 0.00 ATOM 625 CB ALA 103 22.605 15.426 13.690 1.00 0.00 ATOM 626 O ALA 103 21.592 16.319 16.704 1.00 0.00 ATOM 627 C ALA 103 21.130 16.058 15.610 1.00 0.00 ATOM 628 N VAL 104 20.108 16.739 15.118 1.00 0.00 ATOM 629 CA VAL 104 19.510 17.873 15.885 1.00 0.00 ATOM 630 CB VAL 104 18.408 18.600 15.054 1.00 0.00 ATOM 631 CG1 VAL 104 17.642 19.671 15.910 1.00 0.00 ATOM 632 CG2 VAL 104 19.004 19.186 13.792 1.00 0.00 ATOM 633 O VAL 104 19.080 17.832 18.288 1.00 0.00 ATOM 634 C VAL 104 18.890 17.306 17.188 1.00 0.00 ATOM 635 N ARG 105 18.120 16.240 17.061 1.00 0.00 ATOM 636 CA ARG 105 17.471 15.672 18.238 1.00 0.00 ATOM 637 CB ARG 105 16.601 14.473 17.851 1.00 0.00 ATOM 638 CG ARG 105 16.301 13.597 19.055 1.00 0.00 ATOM 639 CD ARG 105 15.338 14.268 20.069 1.00 0.00 ATOM 640 NE ARG 105 14.028 13.645 19.914 1.00 0.00 ATOM 641 CZ ARG 105 13.534 12.708 20.714 1.00 0.00 ATOM 642 NH1 ARG 105 14.192 12.299 21.805 1.00 0.00 ATOM 643 NH2 ARG 105 12.350 12.212 20.428 1.00 0.00 ATOM 644 O ARG 105 18.322 15.486 20.494 1.00 0.00 ATOM 645 C ARG 105 18.525 15.268 19.298 1.00 0.00 ATOM 646 N MET 106 19.636 14.696 18.846 1.00 0.00 ATOM 647 CA MET 106 20.684 14.237 19.750 1.00 0.00 ATOM 648 CB MET 106 21.689 13.318 19.038 1.00 0.00 ATOM 649 CG MET 106 21.097 11.985 18.516 1.00 0.00 ATOM 650 SD MET 106 22.444 10.838 18.149 1.00 0.00 ATOM 651 CE MET 106 23.184 11.783 16.775 1.00 0.00 ATOM 652 O MET 106 21.551 15.348 21.662 1.00 0.00 ATOM 653 C MET 106 21.372 15.398 20.476 1.00 0.00 ATOM 654 N GLU 107 21.613 16.490 19.762 1.00 0.00 ATOM 655 CA GLU 107 22.234 17.706 20.306 1.00 0.00 ATOM 656 CB GLU 107 22.621 18.617 19.144 1.00 0.00 ATOM 657 CG GLU 107 23.784 18.041 18.250 1.00 0.00 ATOM 658 CD GLU 107 25.117 17.702 19.008 1.00 0.00 ATOM 659 OE1 GLU 107 25.376 18.164 20.156 1.00 0.00 ATOM 660 OE2 GLU 107 25.946 16.981 18.419 1.00 0.00 ATOM 661 O GLU 107 21.741 18.858 22.325 1.00 0.00 ATOM 662 C GLU 107 21.309 18.397 21.280 1.00 0.00 ATOM 663 N ASN 108 20.027 18.500 20.908 1.00 0.00 ATOM 664 CA ASN 108 18.987 19.008 21.790 1.00 0.00 ATOM 665 CB ASN 108 17.640 19.130 21.053 1.00 0.00 ATOM 666 CG ASN 108 17.595 20.326 20.093 1.00 0.00 ATOM 667 ND2 ASN 108 18.490 21.241 20.280 1.00 0.00 ATOM 668 OD1 ASN 108 16.742 20.412 19.201 1.00 0.00 ATOM 669 O ASN 108 18.734 18.759 24.135 1.00 0.00 ATOM 670 C ASN 108 18.839 18.187 23.070 1.00 0.00 ATOM 671 N ASP 109 18.835 16.854 22.980 1.00 0.00 ATOM 672 CA ASP 109 18.830 16.017 24.174 1.00 0.00 ATOM 673 CB ASP 109 18.779 14.511 23.789 1.00 0.00 ATOM 674 CG ASP 109 17.392 14.043 23.284 1.00 0.00 ATOM 675 OD1 ASP 109 16.369 14.766 23.429 1.00 0.00 ATOM 676 OD2 ASP 109 17.326 12.885 22.766 1.00 0.00 ATOM 677 O ASP 109 20.088 16.174 26.255 1.00 0.00 ATOM 678 C ASP 109 20.114 16.256 25.023 1.00 0.00 ATOM 679 N GLY 110 21.250 16.476 24.356 1.00 0.00 ATOM 680 CA GLY 110 22.502 16.761 25.063 1.00 0.00 ATOM 681 O GLY 110 22.982 18.235 26.915 1.00 0.00 ATOM 682 C GLY 110 22.470 18.120 25.781 1.00 0.00 ATOM 683 N ALA 111 21.913 19.152 25.143 1.00 0.00 ATOM 684 CA ALA 111 21.681 20.443 25.834 1.00 0.00 ATOM 685 CB ALA 111 20.982 21.453 24.907 1.00 0.00 ATOM 686 O ALA 111 21.202 20.725 28.187 1.00 0.00 ATOM 687 C ALA 111 20.850 20.254 27.104 1.00 0.00 ATOM 688 N THR 112 19.753 19.525 26.978 1.00 0.00 ATOM 689 CA THR 112 18.894 19.217 28.133 1.00 0.00 ATOM 690 CB THR 112 17.712 18.338 27.723 1.00 0.00 ATOM 691 CG2 THR 112 16.800 18.011 28.927 1.00 0.00 ATOM 692 OG1 THR 112 16.948 19.046 26.758 1.00 0.00 ATOM 693 O THR 112 19.373 18.874 30.440 1.00 0.00 ATOM 694 C THR 112 19.629 18.546 29.275 1.00 0.00 ATOM 695 N ALA 113 20.507 17.592 28.951 1.00 0.00 ATOM 696 CA ALA 113 21.261 16.849 29.975 1.00 0.00 ATOM 697 CB ALA 113 21.864 15.597 29.405 1.00 0.00 ATOM 698 O ALA 113 22.552 17.741 31.794 1.00 0.00 ATOM 699 C ALA 113 22.354 17.745 30.599 1.00 0.00 ATOM 700 N TRP 114 23.031 18.525 29.775 1.00 0.00 ATOM 701 CA TRP 114 23.989 19.507 30.276 1.00 0.00 ATOM 702 CB TRP 114 24.942 19.978 29.172 1.00 0.00 ATOM 703 CG TRP 114 25.840 18.806 28.806 1.00 0.00 ATOM 704 CD1 TRP 114 25.803 18.072 27.651 1.00 0.00 ATOM 705 CD2 TRP 114 26.848 18.216 29.629 1.00 0.00 ATOM 706 CE2 TRP 114 27.399 17.133 28.899 1.00 0.00 ATOM 707 CE3 TRP 114 27.349 18.503 30.917 1.00 0.00 ATOM 708 NE1 TRP 114 26.741 17.068 27.693 1.00 0.00 ATOM 709 CZ2 TRP 114 28.429 16.348 29.390 1.00 0.00 ATOM 710 CZ3 TRP 114 28.373 17.694 31.429 1.00 0.00 ATOM 711 CH2 TRP 114 28.899 16.626 30.666 1.00 0.00 ATOM 712 O TRP 114 24.018 21.089 32.058 1.00 0.00 ATOM 713 C TRP 114 23.405 20.659 31.080 1.00 0.00 ATOM 714 N ARG 115 22.230 21.157 30.704 1.00 0.00 ATOM 715 CA ARG 115 21.564 22.158 31.549 1.00 0.00 ATOM 716 CB ARG 115 20.273 22.649 30.907 1.00 0.00 ATOM 717 CG ARG 115 19.603 23.735 31.673 1.00 0.00 ATOM 718 CD ARG 115 18.386 24.282 30.916 1.00 0.00 ATOM 719 NE ARG 115 18.719 24.599 29.531 1.00 0.00 ATOM 720 CZ ARG 115 18.313 23.918 28.463 1.00 0.00 ATOM 721 NH1 ARG 115 17.522 22.841 28.585 1.00 0.00 ATOM 722 NH2 ARG 115 18.702 24.327 27.255 1.00 0.00 ATOM 723 O ARG 115 21.373 22.310 33.907 1.00 0.00 ATOM 724 C ARG 115 21.295 21.589 32.934 1.00 0.00 ATOM 725 N ALA 116 20.976 20.294 33.032 1.00 0.00 ATOM 726 CA ALA 116 20.790 19.683 34.366 1.00 0.00 ATOM 727 CB ALA 116 20.189 18.290 34.238 1.00 0.00 ATOM 728 O ALA 116 22.024 19.772 36.407 1.00 0.00 ATOM 729 C ALA 116 22.071 19.628 35.200 1.00 0.00 ATOM 730 N VAL 117 23.212 19.348 34.562 1.00 0.00 ATOM 731 CA VAL 117 24.501 19.414 35.268 1.00 0.00 ATOM 732 CB VAL 117 25.652 18.785 34.399 1.00 0.00 ATOM 733 CG1 VAL 117 26.989 18.878 35.129 1.00 0.00 ATOM 734 CG2 VAL 117 25.356 17.235 34.031 1.00 0.00 ATOM 735 O VAL 117 25.254 21.111 36.899 1.00 0.00 ATOM 736 C VAL 117 24.812 20.871 35.735 1.00 0.00 ATOM 737 N VAL 118 24.586 21.858 34.855 1.00 0.00 ATOM 738 CA VAL 118 24.779 23.281 35.282 1.00 0.00 ATOM 739 CB VAL 118 24.316 24.355 34.200 1.00 0.00 ATOM 740 CG1 VAL 118 24.333 25.816 34.764 1.00 0.00 ATOM 741 CG2 VAL 118 25.136 24.260 32.935 1.00 0.00 ATOM 742 O VAL 118 24.479 24.168 37.501 1.00 0.00 ATOM 743 C VAL 118 23.990 23.532 36.554 1.00 0.00 ATOM 744 N GLU 119 22.730 23.101 36.533 1.00 0.00 ATOM 745 CA GLU 119 21.807 23.345 37.619 1.00 0.00 ATOM 746 CB GLU 119 20.436 22.844 37.164 1.00 0.00 ATOM 747 CG GLU 119 19.362 23.056 38.219 1.00 0.00 ATOM 748 CD GLU 119 17.981 22.661 37.726 1.00 0.00 ATOM 749 OE1 GLU 119 17.864 22.057 36.646 1.00 0.00 ATOM 750 OE2 GLU 119 17.006 22.981 38.423 1.00 0.00 ATOM 751 O GLU 119 22.141 23.283 40.018 1.00 0.00 ATOM 752 C GLU 119 22.234 22.675 38.960 1.00 0.00 ATOM 753 N HIS 120 22.711 21.427 38.895 1.00 0.00 ATOM 754 CA HIS 120 23.045 20.652 40.109 1.00 0.00 ATOM 755 CB HIS 120 22.482 19.218 40.030 1.00 0.00 ATOM 756 CG HIS 120 20.987 19.163 39.868 1.00 0.00 ATOM 757 CD2 HIS 120 20.214 18.755 38.844 1.00 0.00 ATOM 758 ND1 HIS 120 20.120 19.585 40.855 1.00 0.00 ATOM 759 CE1 HIS 120 18.877 19.455 40.440 1.00 0.00 ATOM 760 NE2 HIS 120 18.904 18.943 39.227 1.00 0.00 ATOM 761 O HIS 120 24.898 19.992 41.449 1.00 0.00 ATOM 762 C HIS 120 24.540 20.571 40.434 1.00 0.00 ATOM 763 N ALA 121 25.401 21.158 39.604 1.00 0.00 ATOM 764 CA ALA 121 26.854 21.069 39.856 1.00 0.00 ATOM 765 CB ALA 121 27.657 21.424 38.636 1.00 0.00 ATOM 766 O ALA 121 26.932 23.193 40.905 1.00 0.00 ATOM 767 C ALA 121 27.217 21.990 40.978 1.00 0.00 ATOM 768 N GLU 122 27.882 21.439 41.996 1.00 0.00 ATOM 769 CA GLU 122 28.272 22.235 43.206 1.00 0.00 ATOM 770 CB GLU 122 28.525 21.321 44.386 1.00 0.00 ATOM 771 CG GLU 122 27.341 20.416 44.719 1.00 0.00 ATOM 772 CD GLU 122 27.359 19.963 46.133 1.00 0.00 ATOM 773 OE1 GLU 122 27.856 18.849 46.347 1.00 0.00 ATOM 774 OE2 GLU 122 26.918 20.735 47.033 1.00 0.00 ATOM 775 O GLU 122 29.486 24.295 43.545 1.00 0.00 ATOM 776 C GLU 122 29.447 23.164 42.986 1.00 0.00 ATOM 777 N THR 123 30.421 22.734 42.186 1.00 0.00 ATOM 778 CA THR 123 31.564 23.631 41.951 1.00 0.00 ATOM 779 CB THR 123 32.883 22.895 41.986 1.00 0.00 ATOM 780 CG2 THR 123 32.931 21.904 43.148 1.00 0.00 ATOM 781 OG1 THR 123 33.029 22.166 40.783 1.00 0.00 ATOM 782 O THR 123 30.911 24.089 39.655 1.00 0.00 ATOM 783 C THR 123 31.478 24.491 40.673 1.00 0.00 ATOM 784 N ALA 124 32.042 25.686 40.766 1.00 0.00 ATOM 785 CA ALA 124 32.217 26.568 39.642 1.00 0.00 ATOM 786 CB ALA 124 32.967 27.790 40.054 1.00 0.00 ATOM 787 O ALA 124 32.582 26.076 37.357 1.00 0.00 ATOM 788 C ALA 124 32.931 25.862 38.499 1.00 0.00 ATOM 789 N ASP 125 33.930 25.031 38.791 1.00 0.00 ATOM 790 CA ASP 125 34.681 24.382 37.709 1.00 0.00 ATOM 791 CB ASP 125 35.882 23.585 38.240 1.00 0.00 ATOM 792 CG ASP 125 37.040 24.468 38.643 1.00 0.00 ATOM 793 OD1 ASP 125 37.109 25.622 38.165 1.00 0.00 ATOM 794 OD2 ASP 125 37.878 24.000 39.447 1.00 0.00 ATOM 795 O ASP 125 33.833 23.446 35.651 1.00 0.00 ATOM 796 C ASP 125 33.778 23.452 36.900 1.00 0.00 ATOM 797 N ASP 126 32.971 22.665 37.613 1.00 0.00 ATOM 798 CA ASP 126 32.054 21.718 36.960 1.00 0.00 ATOM 799 CB ASP 126 31.525 20.689 37.944 1.00 0.00 ATOM 800 CG ASP 126 32.604 19.746 38.427 1.00 0.00 ATOM 801 OD1 ASP 126 33.751 19.871 37.943 1.00 0.00 ATOM 802 OD2 ASP 126 32.305 18.863 39.276 1.00 0.00 ATOM 803 O ASP 126 30.481 21.981 35.187 1.00 0.00 ATOM 804 C ASP 126 30.898 22.420 36.256 1.00 0.00 ATOM 805 N ARG 127 30.378 23.495 36.840 1.00 0.00 ATOM 806 CA ARG 127 29.373 24.293 36.137 1.00 0.00 ATOM 807 CB ARG 127 28.773 25.385 37.016 1.00 0.00 ATOM 808 CG ARG 127 27.991 24.881 38.174 1.00 0.00 ATOM 809 CD ARG 127 27.223 26.044 38.763 1.00 0.00 ATOM 810 NE ARG 127 28.038 27.172 39.206 1.00 0.00 ATOM 811 CZ ARG 127 28.677 27.222 40.374 1.00 0.00 ATOM 812 NH1 ARG 127 28.627 26.177 41.215 1.00 0.00 ATOM 813 NH2 ARG 127 29.367 28.316 40.706 1.00 0.00 ATOM 814 O ARG 127 29.170 25.057 33.888 1.00 0.00 ATOM 815 C ARG 127 29.901 24.963 34.878 1.00 0.00 ATOM 816 N VAL 128 31.131 25.476 34.913 1.00 0.00 ATOM 817 CA VAL 128 31.712 26.026 33.697 1.00 0.00 ATOM 818 CB VAL 128 33.028 26.833 33.925 1.00 0.00 ATOM 819 CG1 VAL 128 33.771 27.109 32.606 1.00 0.00 ATOM 820 CG2 VAL 128 32.720 28.160 34.619 1.00 0.00 ATOM 821 O VAL 128 31.540 25.234 31.471 1.00 0.00 ATOM 822 C VAL 128 31.850 24.954 32.617 1.00 0.00 ATOM 823 N PHE 129 32.267 23.741 32.980 1.00 0.00 ATOM 824 CA PHE 129 32.445 22.642 32.025 1.00 0.00 ATOM 825 CB PHE 129 33.103 21.443 32.712 1.00 0.00 ATOM 826 CG PHE 129 33.220 20.205 31.824 1.00 0.00 ATOM 827 CD1 PHE 129 34.408 19.925 31.156 1.00 0.00 ATOM 828 CD2 PHE 129 32.142 19.335 31.650 1.00 0.00 ATOM 829 CE1 PHE 129 34.529 18.788 30.345 1.00 0.00 ATOM 830 CE2 PHE 129 32.254 18.203 30.823 1.00 0.00 ATOM 831 CZ PHE 129 33.454 17.934 30.179 1.00 0.00 ATOM 832 O PHE 129 30.999 22.029 30.168 1.00 0.00 ATOM 833 C PHE 129 31.102 22.253 31.401 1.00 0.00 ATOM 834 N ALA 130 30.072 22.191 32.259 1.00 0.00 ATOM 835 CA ALA 130 28.746 21.777 31.837 1.00 0.00 ATOM 836 CB ALA 130 27.834 21.546 33.046 1.00 0.00 ATOM 837 O ALA 130 27.541 22.540 29.929 1.00 0.00 ATOM 838 C ALA 130 28.163 22.864 30.913 1.00 0.00 ATOM 839 N SER 131 28.369 24.148 31.252 1.00 0.00 ATOM 840 CA SER 131 27.883 25.204 30.411 1.00 0.00 ATOM 841 CB SER 131 27.878 26.572 31.104 1.00 0.00 ATOM 842 OG SER 131 29.141 27.220 31.026 1.00 0.00 ATOM 843 O SER 131 27.932 25.581 28.074 1.00 0.00 ATOM 844 C SER 131 28.578 25.263 29.063 1.00 0.00 ATOM 845 N THR 132 29.871 24.995 29.009 1.00 0.00 ATOM 846 CA THR 132 30.587 24.828 27.744 1.00 0.00 ATOM 847 CB THR 132 32.077 24.631 28.026 1.00 0.00 ATOM 848 CG2 THR 132 32.858 24.367 26.746 1.00 0.00 ATOM 849 OG1 THR 132 32.565 25.833 28.639 1.00 0.00 ATOM 850 O THR 132 29.718 23.865 25.652 1.00 0.00 ATOM 851 C THR 132 30.010 23.671 26.874 1.00 0.00 ATOM 852 N ALA 133 29.788 22.513 27.514 1.00 0.00 ATOM 853 CA ALA 133 29.142 21.366 26.884 1.00 0.00 ATOM 854 CB ALA 133 29.132 20.178 27.834 1.00 0.00 ATOM 855 O ALA 133 27.316 21.309 25.304 1.00 0.00 ATOM 856 C ALA 133 27.722 21.715 26.412 1.00 0.00 ATOM 857 N LEU 134 26.983 22.481 27.220 1.00 0.00 ATOM 858 CA LEU 134 25.640 22.874 26.857 1.00 0.00 ATOM 859 CB LEU 134 25.010 23.634 28.030 1.00 0.00 ATOM 860 CG LEU 134 23.504 23.894 28.197 1.00 0.00 ATOM 861 CD1 LEU 134 23.313 25.008 29.144 1.00 0.00 ATOM 862 CD2 LEU 134 22.773 24.205 26.948 1.00 0.00 ATOM 863 O LEU 134 24.874 23.610 24.649 1.00 0.00 ATOM 864 C LEU 134 25.656 23.789 25.598 1.00 0.00 ATOM 865 N THR 135 26.538 24.780 25.635 1.00 0.00 ATOM 866 CA THR 135 26.695 25.730 24.530 1.00 0.00 ATOM 867 CB THR 135 27.667 26.811 24.913 1.00 0.00 ATOM 868 CG2 THR 135 28.011 27.697 23.716 1.00 0.00 ATOM 869 OG1 THR 135 27.078 27.604 25.964 1.00 0.00 ATOM 870 O THR 135 26.610 25.360 22.156 1.00 0.00 ATOM 871 C THR 135 27.149 25.048 23.236 1.00 0.00 ATOM 872 N GLU 136 28.101 24.125 23.343 1.00 0.00 ATOM 873 CA GLU 136 28.557 23.352 22.181 1.00 0.00 ATOM 874 CB GLU 136 29.751 22.464 22.525 1.00 0.00 ATOM 875 CG GLU 136 31.006 23.318 22.829 1.00 0.00 ATOM 876 CD GLU 136 32.173 22.492 23.334 1.00 0.00 ATOM 877 OE1 GLU 136 32.000 21.304 23.696 1.00 0.00 ATOM 878 OE2 GLU 136 33.291 23.026 23.370 1.00 0.00 ATOM 879 O GLU 136 27.422 22.426 20.287 1.00 0.00 ATOM 880 C GLU 136 27.450 22.509 21.523 1.00 0.00 ATOM 881 N SER 137 26.615 21.873 22.362 1.00 0.00 ATOM 882 CA SER 137 25.463 21.058 21.960 1.00 0.00 ATOM 883 CB SER 137 24.766 20.472 23.207 1.00 0.00 ATOM 884 OG SER 137 25.571 19.535 23.902 1.00 0.00 ATOM 885 O SER 137 23.985 21.595 20.141 1.00 0.00 ATOM 886 C SER 137 24.471 21.952 21.197 1.00 0.00 ATOM 887 N ALA 138 24.166 23.112 21.764 1.00 0.00 ATOM 888 CA ALA 138 23.342 24.151 21.102 1.00 0.00 ATOM 889 CB ALA 138 23.149 25.292 22.033 1.00 0.00 ATOM 890 O ALA 138 23.134 24.920 18.859 1.00 0.00 ATOM 891 C ALA 138 23.889 24.691 19.782 1.00 0.00 ATOM 892 N VAL 139 25.181 24.987 19.717 1.00 0.00 ATOM 893 CA VAL 139 25.809 25.431 18.475 1.00 0.00 ATOM 894 CB VAL 139 27.223 25.946 18.750 1.00 0.00 ATOM 895 CG1 VAL 139 28.031 26.030 17.471 1.00 0.00 ATOM 896 CG2 VAL 139 27.160 27.355 19.488 1.00 0.00 ATOM 897 O VAL 139 25.377 24.428 16.290 1.00 0.00 ATOM 898 C VAL 139 25.758 24.249 17.469 1.00 0.00 ATOM 899 N MET 140 26.035 23.026 17.928 1.00 0.00 ATOM 900 CA MET 140 25.926 21.859 17.016 1.00 0.00 ATOM 901 CB MET 140 26.370 20.544 17.671 1.00 0.00 ATOM 902 CG MET 140 27.881 20.232 17.605 1.00 0.00 ATOM 903 SD MET 140 28.688 20.247 15.955 1.00 0.00 ATOM 904 CE MET 140 27.436 19.625 15.040 1.00 0.00 ATOM 905 O MET 140 24.424 21.419 15.189 1.00 0.00 ATOM 906 C MET 140 24.537 21.679 16.402 1.00 0.00 ATOM 907 N ALA 141 23.493 21.762 17.233 1.00 0.00 ATOM 908 CA ALA 141 22.088 21.723 16.778 1.00 0.00 ATOM 909 CB ALA 141 21.074 21.791 17.993 1.00 0.00 ATOM 910 O ALA 141 21.103 22.541 14.743 1.00 0.00 ATOM 911 C ALA 141 21.785 22.815 15.750 1.00 0.00 ATOM 912 N THR 142 22.256 24.053 15.975 1.00 0.00 ATOM 913 CA THR 142 21.953 25.094 15.012 1.00 0.00 ATOM 914 CB THR 142 22.382 26.541 15.466 1.00 0.00 ATOM 915 CG2 THR 142 21.924 26.850 16.851 1.00 0.00 ATOM 916 OG1 THR 142 23.806 26.630 15.432 1.00 0.00 ATOM 917 O THR 142 22.124 25.078 12.611 1.00 0.00 ATOM 918 C THR 142 22.655 24.784 13.672 1.00 0.00 ATOM 919 N ARG 143 23.877 24.257 13.726 1.00 0.00 ATOM 920 CA ARG 143 24.589 23.857 12.504 1.00 0.00 ATOM 921 CB ARG 143 26.013 23.391 12.847 1.00 0.00 ATOM 922 CG ARG 143 26.815 24.514 13.390 1.00 0.00 ATOM 923 CD ARG 143 28.272 24.156 13.789 1.00 0.00 ATOM 924 NE ARG 143 29.047 23.798 12.599 1.00 0.00 ATOM 925 CZ ARG 143 30.179 23.080 12.582 1.00 0.00 ATOM 926 NH1 ARG 143 30.735 22.594 13.710 1.00 0.00 ATOM 927 NH2 ARG 143 30.764 22.829 11.406 1.00 0.00 ATOM 928 O ARG 143 23.828 22.798 10.480 1.00 0.00 ATOM 929 C ARG 143 23.862 22.749 11.691 1.00 0.00 ATOM 930 N TRP 144 23.282 21.769 12.357 1.00 0.00 ATOM 931 CA TRP 144 22.499 20.734 11.671 1.00 0.00 ATOM 932 CB TRP 144 22.318 19.498 12.562 1.00 0.00 ATOM 933 CG TRP 144 23.547 18.668 12.634 1.00 0.00 ATOM 934 CD1 TRP 144 24.452 18.602 13.670 1.00 0.00 ATOM 935 CD2 TRP 144 24.020 17.752 11.618 1.00 0.00 ATOM 936 CE2 TRP 144 25.220 17.165 12.105 1.00 0.00 ATOM 937 CE3 TRP 144 23.535 17.367 10.349 1.00 0.00 ATOM 938 NE1 TRP 144 25.472 17.709 13.348 1.00 0.00 ATOM 939 CZ2 TRP 144 25.964 16.200 11.354 1.00 0.00 ATOM 940 CZ3 TRP 144 24.281 16.400 9.600 1.00 0.00 ATOM 941 CH2 TRP 144 25.481 15.845 10.118 1.00 0.00 ATOM 942 O TRP 144 20.675 20.771 10.129 1.00 0.00 ATOM 943 C TRP 144 21.146 21.231 11.158 1.00 0.00 ATOM 944 N ASN 145 20.544 22.195 11.872 1.00 0.00 ATOM 945 CA ASN 145 19.329 22.846 11.441 1.00 0.00 ATOM 946 CB ASN 145 18.796 23.723 12.556 1.00 0.00 ATOM 947 CG ASN 145 17.764 23.021 13.417 1.00 0.00 ATOM 948 ND2 ASN 145 16.791 22.371 12.762 1.00 0.00 ATOM 949 OD1 ASN 145 17.816 23.087 14.682 1.00 0.00 ATOM 950 O ASN 145 18.679 23.825 9.343 1.00 0.00 ATOM 951 C ASN 145 19.559 23.700 10.188 1.00 0.00 ATOM 952 N ARG 146 20.742 24.298 10.102 1.00 0.00 ATOM 953 CA ARG 146 21.162 25.033 8.936 1.00 0.00 ATOM 954 CB ARG 146 22.459 25.781 9.238 1.00 0.00 ATOM 955 CG ARG 146 22.873 26.783 8.217 1.00 0.00 ATOM 956 CD ARG 146 23.931 27.718 8.863 1.00 0.00 ATOM 957 NE ARG 146 23.325 28.613 9.866 1.00 0.00 ATOM 958 CZ ARG 146 23.841 28.909 11.072 1.00 0.00 ATOM 959 NH1 ARG 146 24.985 28.385 11.490 1.00 0.00 ATOM 960 NH2 ARG 146 23.180 29.731 11.876 1.00 0.00 ATOM 961 O ARG 146 20.989 24.393 6.625 1.00 0.00 ATOM 962 C ARG 146 21.350 24.064 7.749 1.00 0.00 ATOM 963 N VAL 147 21.897 22.872 8.005 1.00 0.00 ATOM 964 CA VAL 147 21.906 21.819 6.992 1.00 0.00 ATOM 965 CB VAL 147 22.722 20.568 7.484 1.00 0.00 ATOM 966 CG1 VAL 147 22.615 19.414 6.469 1.00 0.00 ATOM 967 CG2 VAL 147 24.196 20.958 7.670 1.00 0.00 ATOM 968 O VAL 147 20.197 21.470 5.305 1.00 0.00 ATOM 969 C VAL 147 20.481 21.452 6.515 1.00 0.00 ATOM 970 N LEU 148 19.566 21.114 7.433 1.00 0.00 ATOM 971 CA LEU 148 18.167 20.799 7.042 1.00 0.00 ATOM 972 CB LEU 148 17.287 20.580 8.279 1.00 0.00 ATOM 973 CG LEU 148 17.503 19.236 8.968 1.00 0.00 ATOM 974 CD1 LEU 148 16.731 19.190 10.299 1.00 0.00 ATOM 975 CD2 LEU 148 17.052 18.120 8.018 1.00 0.00 ATOM 976 O LEU 148 16.905 21.615 5.215 1.00 0.00 ATOM 977 C LEU 148 17.534 21.900 6.211 1.00 0.00 ATOM 978 N GLY 149 17.647 23.158 6.680 1.00 0.00 ATOM 979 CA GLY 149 17.070 24.345 6.013 1.00 0.00 ATOM 980 O GLY 149 16.877 25.257 3.818 1.00 0.00 ATOM 981 C GLY 149 17.556 24.601 4.593 1.00 0.00 ATOM 982 N ALA 150 18.762 24.133 4.272 1.00 0.00 ATOM 983 CA ALA 150 19.321 24.139 2.921 1.00 0.00 ATOM 984 CB ALA 150 20.871 24.221 2.998 1.00 0.00 ATOM 985 O ALA 150 19.201 22.866 0.847 1.00 0.00 ATOM 986 C ALA 150 18.905 22.917 2.063 1.00 0.00 ATOM 987 N TRP 151 18.241 21.934 2.663 1.00 0.00 ATOM 988 CA TRP 151 17.725 20.855 1.859 1.00 0.00 ATOM 989 CB TRP 151 17.923 19.507 2.536 1.00 0.00 ATOM 990 CG TRP 151 19.342 19.119 2.704 1.00 0.00 ATOM 991 CD1 TRP 151 20.413 19.605 2.031 1.00 0.00 ATOM 992 CD2 TRP 151 19.826 18.064 3.562 1.00 0.00 ATOM 993 CE2 TRP 151 21.227 18.026 3.417 1.00 0.00 ATOM 994 CE3 TRP 151 19.207 17.189 4.467 1.00 0.00 ATOM 995 NE1 TRP 151 21.556 18.966 2.463 1.00 0.00 ATOM 996 CZ2 TRP 151 22.029 17.108 4.103 1.00 0.00 ATOM 997 CZ3 TRP 151 20.030 16.243 5.191 1.00 0.00 ATOM 998 CH2 TRP 151 21.416 16.234 4.995 1.00 0.00 ATOM 999 O TRP 151 15.575 21.737 2.333 1.00 0.00 ATOM 1000 C TRP 151 16.245 21.049 1.574 1.00 0.00 ATOM 1001 N PRO 152 15.722 20.395 0.533 1.00 0.00 ATOM 1002 CA PRO 152 14.266 20.572 0.266 1.00 0.00 ATOM 1003 CB PRO 152 14.002 19.774 -1.009 1.00 0.00 ATOM 1004 CG PRO 152 15.300 19.169 -1.461 1.00 0.00 ATOM 1005 CD PRO 152 16.375 19.446 -0.377 1.00 0.00 ATOM 1006 O PRO 152 13.648 19.078 2.117 1.00 0.00 ATOM 1007 C PRO 152 13.384 20.102 1.469 1.00 0.00 ATOM 1008 N ILE 153 12.415 20.918 1.843 1.00 0.00 ATOM 1009 CA ILE 153 11.445 20.497 2.878 1.00 0.00 ATOM 1010 CB ILE 153 10.841 21.682 3.654 1.00 0.00 ATOM 1011 CG1 ILE 153 11.957 22.642 4.171 1.00 0.00 ATOM 1012 CG2 ILE 153 9.856 21.188 4.753 1.00 0.00 ATOM 1013 CD1 ILE 153 13.032 22.056 5.078 1.00 0.00 ATOM 1014 O ILE 153 9.838 20.215 1.155 1.00 0.00 ATOM 1015 C ILE 153 10.393 19.730 2.150 1.00 0.00 ATOM 1016 N THR 154 10.126 18.513 2.571 1.00 0.00 ATOM 1017 CA THR 154 8.994 17.819 1.914 1.00 0.00 ATOM 1018 CB THR 154 9.507 16.732 0.999 1.00 0.00 ATOM 1019 CG2 THR 154 10.303 17.354 -0.157 1.00 0.00 ATOM 1020 OG1 THR 154 10.398 15.909 1.768 1.00 0.00 ATOM 1021 O THR 154 7.709 16.014 2.891 1.00 0.00 ATOM 1022 C THR 154 7.977 17.235 2.907 1.00 0.00 ATOM 1023 N ALA 155 7.418 18.105 3.759 1.00 0.00 ATOM 1024 CA ALA 155 6.271 17.756 4.643 1.00 0.00 ATOM 1025 CB ALA 155 5.710 19.007 5.301 1.00 0.00 ATOM 1026 O ALA 155 4.746 17.383 2.810 1.00 0.00 ATOM 1027 C ALA 155 5.149 16.998 3.911 1.00 0.00 ATOM 1028 N ALA 156 4.659 15.912 4.513 1.00 0.00 ATOM 1029 CA ALA 156 3.448 15.228 3.988 1.00 0.00 ATOM 1030 CB ALA 156 3.139 13.990 4.826 1.00 0.00 ATOM 1031 O ALA 156 2.143 16.975 4.964 1.00 0.00 ATOM 1032 C ALA 156 2.252 16.184 4.037 1.00 0.00 ATOM 1033 N PHE 157 1.383 16.138 3.034 1.00 0.00 ATOM 1034 CA PHE 157 0.077 16.807 3.144 1.00 0.00 ATOM 1035 CB PHE 157 -0.764 16.585 1.907 1.00 0.00 ATOM 1036 CG PHE 157 -0.733 17.715 0.961 1.00 0.00 ATOM 1037 CD1 PHE 157 0.464 18.162 0.453 1.00 0.00 ATOM 1038 CD2 PHE 157 -1.914 18.325 0.543 1.00 0.00 ATOM 1039 CE1 PHE 157 0.509 19.210 -0.453 1.00 0.00 ATOM 1040 CE2 PHE 157 -1.874 19.376 -0.360 1.00 0.00 ATOM 1041 CZ PHE 157 -0.634 19.818 -0.859 1.00 0.00 ATOM 1042 O PHE 157 -0.667 15.042 4.522 1.00 0.00 ATOM 1043 C PHE 157 -0.647 16.254 4.360 1.00 0.00 ATOM 1044 N PRO 158 -1.209 17.151 5.188 1.00 0.00 ATOM 1045 CA PRO 158 -1.784 16.826 6.498 1.00 0.00 ATOM 1046 CB PRO 158 -1.970 18.117 7.272 1.00 0.00 ATOM 1047 O PRO 158 -3.445 15.360 5.451 1.00 0.00 ATOM 1048 C PRO 158 -3.109 16.035 6.486 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 T0385.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0385)P81.C and (T0385)I82.C only 0 apart, marking (T0385)I82.C as missing WARNING: atoms too close: (T0385)I82.N and (T0385)A83.N only 0 apart, marking (T0385)I82.N as missing WARNING: atoms too close: (T0385)I82.CA and (T0385)A83.CA only 0 apart, marking (T0385)I82.CA as missing # WARNING: incomplete conformation T0385 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 = 0.866 # GDT_score = -63.028 # GDT_score(maxd=8.000,maxw=2.900)= -66.607 # GDT_score(maxd=8.000,maxw=3.200)= -63.351 # GDT_score(maxd=8.000,maxw=3.500)= -60.041 # GDT_score(maxd=10.000,maxw=3.800)= -61.974 # GDT_score(maxd=10.000,maxw=4.000)= -59.837 # GDT_score(maxd=10.000,maxw=4.200)= -57.806 # GDT_score(maxd=12.000,maxw=4.300)= -60.800 # GDT_score(maxd=12.000,maxw=4.500)= -58.840 # GDT_score(maxd=12.000,maxw=4.700)= -56.926 # GDT_score(maxd=14.000,maxw=5.200)= -55.575 # GDT_score(maxd=14.000,maxw=5.500)= -53.065 # command:# ReadConformPDB reading from PDB file T0385.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0385)L89.C and (T0385)M91.C only 0 apart, marking (T0385)M91.C as missing WARNING: atoms too close: (T0385)P90.N and (T0385)Q92.N only 0 apart, marking (T0385)P90.N as missing WARNING: atoms too close: (T0385)P90.CA and (T0385)Q92.CA only 0 apart, marking (T0385)P90.CA as missing # WARNING: incomplete conformation T0385 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 = 0.930 # GDT_score = -72.535 # GDT_score(maxd=8.000,maxw=2.900)= -76.793 # GDT_score(maxd=8.000,maxw=3.200)= -73.485 # GDT_score(maxd=8.000,maxw=3.500)= -69.986 # GDT_score(maxd=10.000,maxw=3.800)= -72.115 # GDT_score(maxd=10.000,maxw=4.000)= -69.901 # GDT_score(maxd=10.000,maxw=4.200)= -67.665 # GDT_score(maxd=12.000,maxw=4.300)= -70.920 # GDT_score(maxd=12.000,maxw=4.500)= -68.760 # GDT_score(maxd=12.000,maxw=4.700)= -66.630 # GDT_score(maxd=14.000,maxw=5.200)= -64.989 # GDT_score(maxd=14.000,maxw=5.500)= -62.101 # command:# ReadConformPDB reading from PDB file T0385.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0385.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0385)E18.C and (T0385)G19.C only 0 apart, marking (T0385)G19.C as missing WARNING: atoms too close: (T0385)G19.N and (T0385)S20.N only 0 apart, marking (T0385)G19.N as missing WARNING: atoms too close: (T0385)G19.CA and (T0385)S20.CA only 0 apart, marking (T0385)G19.CA as missing # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0385.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0385)R105.C and (T0385)M106.C only 0 apart, marking (T0385)M106.C as missing WARNING: atoms too close: (T0385)M106.N and (T0385)E107.N only 0 apart, marking (T0385)M106.N as missing WARNING: atoms too close: (T0385)M106.CA and (T0385)E107.CA only 0 apart, marking (T0385)M106.CA as missing # WARNING: incomplete conformation T0385 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 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 12 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 12 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 Error: Reading chain from PDB file T0385.try12-opt2.gromacs0.repack-nonPC.pdb.gz failed. # ReadConformPDB reading from PDB file T0385.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try29-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try29-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try30-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try30-opt1.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try30-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try30-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try30-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try30-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try31-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try31-opt1.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try31-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try31-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try31-opt2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try31-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try32-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try32-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try32-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try32-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try32-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try32-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try33-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try33-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try33-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try33-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try33-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try33-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try34-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try34-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try34-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try34-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try34-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try34-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try35-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try35-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try35-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try35-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try35-opt2.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try35-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try36-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try36-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try36-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try36-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try36-opt2.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try36-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try37-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try37-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try37-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try37-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try37-opt2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try37-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try38-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try38-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try38-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try38-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try38-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try38-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try39-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try39-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try39-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try39-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try39-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try39-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try40-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try40-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try40-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try40-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try40-opt2.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try40-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try41-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try41-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try41-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try41-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try41-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try41-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0385.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_562649063.pdb -s /var/tmp/to_scwrl_562649063.seq -o /var/tmp/from_scwrl_562649063.pdb > /var/tmp/scwrl_562649063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562649063.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1985219753.pdb -s /var/tmp/to_scwrl_1985219753.seq -o /var/tmp/from_scwrl_1985219753.pdb > /var/tmp/scwrl_1985219753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1985219753.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_974553107.pdb -s /var/tmp/to_scwrl_974553107.seq -o /var/tmp/from_scwrl_974553107.pdb > /var/tmp/scwrl_974553107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_974553107.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_215652536.pdb -s /var/tmp/to_scwrl_215652536.seq -o /var/tmp/from_scwrl_215652536.pdb > /var/tmp/scwrl_215652536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215652536.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1717580471.pdb -s /var/tmp/to_scwrl_1717580471.seq -o /var/tmp/from_scwrl_1717580471.pdb > /var/tmp/scwrl_1717580471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1717580471.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1204778685.pdb -s /var/tmp/to_scwrl_1204778685.seq -o /var/tmp/from_scwrl_1204778685.pdb > /var/tmp/scwrl_1204778685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204778685.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_771410905.pdb -s /var/tmp/to_scwrl_771410905.seq -o /var/tmp/from_scwrl_771410905.pdb > /var/tmp/scwrl_771410905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771410905.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_599061923.pdb -s /var/tmp/to_scwrl_599061923.seq -o /var/tmp/from_scwrl_599061923.pdb > /var/tmp/scwrl_599061923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_599061923.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1842870106.pdb -s /var/tmp/to_scwrl_1842870106.seq -o /var/tmp/from_scwrl_1842870106.pdb > /var/tmp/scwrl_1842870106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1842870106.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_530525552.pdb -s /var/tmp/to_scwrl_530525552.seq -o /var/tmp/from_scwrl_530525552.pdb > /var/tmp/scwrl_530525552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530525552.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_658238862.pdb -s /var/tmp/to_scwrl_658238862.seq -o /var/tmp/from_scwrl_658238862.pdb > /var/tmp/scwrl_658238862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_658238862.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_915874172.pdb -s /var/tmp/to_scwrl_915874172.seq -o /var/tmp/from_scwrl_915874172.pdb > /var/tmp/scwrl_915874172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915874172.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1197140565.pdb -s /var/tmp/to_scwrl_1197140565.seq -o /var/tmp/from_scwrl_1197140565.pdb > /var/tmp/scwrl_1197140565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1197140565.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1072324690.pdb -s /var/tmp/to_scwrl_1072324690.seq -o /var/tmp/from_scwrl_1072324690.pdb > /var/tmp/scwrl_1072324690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072324690.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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1157760391.pdb -s /var/tmp/to_scwrl_1157760391.seq -o /var/tmp/from_scwrl_1157760391.pdb > /var/tmp/scwrl_1157760391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1157760391.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 132 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_909491673.pdb -s /var/tmp/to_scwrl_909491673.seq -o /var/tmp/from_scwrl_909491673.pdb > /var/tmp/scwrl_909491673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_909491673.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 # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1304987315.pdb -s /var/tmp/to_scwrl_1304987315.seq -o /var/tmp/from_scwrl_1304987315.pdb > /var/tmp/scwrl_1304987315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304987315.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 132 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_374371800.pdb -s /var/tmp/to_scwrl_374371800.seq -o /var/tmp/from_scwrl_374371800.pdb > /var/tmp/scwrl_374371800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374371800.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 146 ; scwrl3 -i /var/tmp/to_scwrl_703202657.pdb -s /var/tmp/to_scwrl_703202657.seq -o /var/tmp/from_scwrl_703202657.pdb > /var/tmp/scwrl_703202657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_703202657.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 132 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_41213133.pdb -s /var/tmp/to_scwrl_41213133.seq -o /var/tmp/from_scwrl_41213133.pdb > /var/tmp/scwrl_41213133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_41213133.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 154 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1299208095.pdb -s /var/tmp/to_scwrl_1299208095.seq -o /var/tmp/from_scwrl_1299208095.pdb > /var/tmp/scwrl_1299208095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1299208095.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1954848047.pdb -s /var/tmp/to_scwrl_1954848047.seq -o /var/tmp/from_scwrl_1954848047.pdb > /var/tmp/scwrl_1954848047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1954848047.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 131 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2023305914.pdb -s /var/tmp/to_scwrl_2023305914.seq -o /var/tmp/from_scwrl_2023305914.pdb > /var/tmp/scwrl_2023305914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2023305914.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 155 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1212048388.pdb -s /var/tmp/to_scwrl_1212048388.seq -o /var/tmp/from_scwrl_1212048388.pdb > /var/tmp/scwrl_1212048388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1212048388.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 141 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1665020712.pdb -s /var/tmp/to_scwrl_1665020712.seq -o /var/tmp/from_scwrl_1665020712.pdb > /var/tmp/scwrl_1665020712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1665020712.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 23 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_314791279.pdb -s /var/tmp/to_scwrl_314791279.seq -o /var/tmp/from_scwrl_314791279.pdb > /var/tmp/scwrl_314791279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_314791279.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1322987828.pdb -s /var/tmp/to_scwrl_1322987828.seq -o /var/tmp/from_scwrl_1322987828.pdb > /var/tmp/scwrl_1322987828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1322987828.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 159 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_773060047.pdb -s /var/tmp/to_scwrl_773060047.seq -o /var/tmp/from_scwrl_773060047.pdb > /var/tmp/scwrl_773060047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_773060047.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_654664373.pdb -s /var/tmp/to_scwrl_654664373.seq -o /var/tmp/from_scwrl_654664373.pdb > /var/tmp/scwrl_654664373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654664373.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 T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_629033569.pdb -s /var/tmp/to_scwrl_629033569.seq -o /var/tmp/from_scwrl_629033569.pdb > /var/tmp/scwrl_629033569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629033569.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1639041316.pdb -s /var/tmp/to_scwrl_1639041316.seq -o /var/tmp/from_scwrl_1639041316.pdb > /var/tmp/scwrl_1639041316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639041316.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1217313435.pdb -s /var/tmp/to_scwrl_1217313435.seq -o /var/tmp/from_scwrl_1217313435.pdb > /var/tmp/scwrl_1217313435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1217313435.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_466769675.pdb -s /var/tmp/to_scwrl_466769675.seq -o /var/tmp/from_scwrl_466769675.pdb > /var/tmp/scwrl_466769675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466769675.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_466110776.pdb -s /var/tmp/to_scwrl_466110776.seq -o /var/tmp/from_scwrl_466110776.pdb > /var/tmp/scwrl_466110776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466110776.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 T0385 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1432965971.pdb -s /var/tmp/to_scwrl_1432965971.seq -o /var/tmp/from_scwrl_1432965971.pdb > /var/tmp/scwrl_1432965971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432965971.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 T0385 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_36866500.pdb -s /var/tmp/to_scwrl_36866500.seq -o /var/tmp/from_scwrl_36866500.pdb > /var/tmp/scwrl_36866500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_36866500.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 T0385 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1670889461.pdb -s /var/tmp/to_scwrl_1670889461.seq -o /var/tmp/from_scwrl_1670889461.pdb > /var/tmp/scwrl_1670889461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670889461.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 T0385 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_56893229.pdb -s /var/tmp/to_scwrl_56893229.seq -o /var/tmp/from_scwrl_56893229.pdb > /var/tmp/scwrl_56893229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56893229.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 T0385 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_635928423.pdb -s /var/tmp/to_scwrl_635928423.seq -o /var/tmp/from_scwrl_635928423.pdb > /var/tmp/scwrl_635928423.log Error: Couldn't open file /var/tmp/from_scwrl_635928423.pdb or /var/tmp/from_scwrl_635928423.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_635928423_b.pdb or decoys//var/tmp/from_scwrl_635928423_b.pdb.gz for input Trying /var/tmp/from_scwrl_635928423_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_635928423_b.pdb or /var/tmp/from_scwrl_635928423_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_635928423_a.pdb or decoys//var/tmp/from_scwrl_635928423_a.pdb.gz for input Trying /var/tmp/from_scwrl_635928423_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_635928423_a.pdb or /var/tmp/from_scwrl_635928423_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_635928423.pdb or /var/tmp/from_scwrl_635928423_b.pdb or /var/tmp/from_scwrl_635928423_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 T0385 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1366275920.pdb -s /var/tmp/to_scwrl_1366275920.seq -o /var/tmp/from_scwrl_1366275920.pdb > /var/tmp/scwrl_1366275920.log Error: Couldn't open file /var/tmp/from_scwrl_1366275920.pdb or /var/tmp/from_scwrl_1366275920.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1366275920_b.pdb or decoys//var/tmp/from_scwrl_1366275920_b.pdb.gz for input Trying /var/tmp/from_scwrl_1366275920_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1366275920_b.pdb or /var/tmp/from_scwrl_1366275920_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1366275920_a.pdb or decoys//var/tmp/from_scwrl_1366275920_a.pdb.gz for input Trying /var/tmp/from_scwrl_1366275920_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1366275920_a.pdb or /var/tmp/from_scwrl_1366275920_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1366275920.pdb or /var/tmp/from_scwrl_1366275920_b.pdb or /var/tmp/from_scwrl_1366275920_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 T0385 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_587418782.pdb -s /var/tmp/to_scwrl_587418782.seq -o /var/tmp/from_scwrl_587418782.pdb > /var/tmp/scwrl_587418782.log Error: Couldn't open file /var/tmp/from_scwrl_587418782.pdb or /var/tmp/from_scwrl_587418782.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_587418782_b.pdb or decoys//var/tmp/from_scwrl_587418782_b.pdb.gz for input Trying /var/tmp/from_scwrl_587418782_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_587418782_b.pdb or /var/tmp/from_scwrl_587418782_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_587418782_a.pdb or decoys//var/tmp/from_scwrl_587418782_a.pdb.gz for input Trying /var/tmp/from_scwrl_587418782_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_587418782_a.pdb or /var/tmp/from_scwrl_587418782_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_587418782.pdb or /var/tmp/from_scwrl_587418782_b.pdb or /var/tmp/from_scwrl_587418782_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 T0385 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1294167284.pdb -s /var/tmp/to_scwrl_1294167284.seq -o /var/tmp/from_scwrl_1294167284.pdb > /var/tmp/scwrl_1294167284.log Error: Couldn't open file /var/tmp/from_scwrl_1294167284.pdb or /var/tmp/from_scwrl_1294167284.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1294167284_b.pdb or decoys//var/tmp/from_scwrl_1294167284_b.pdb.gz for input Trying /var/tmp/from_scwrl_1294167284_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1294167284_b.pdb or /var/tmp/from_scwrl_1294167284_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1294167284_a.pdb or decoys//var/tmp/from_scwrl_1294167284_a.pdb.gz for input Trying /var/tmp/from_scwrl_1294167284_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1294167284_a.pdb or /var/tmp/from_scwrl_1294167284_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1294167284.pdb or /var/tmp/from_scwrl_1294167284_b.pdb or /var/tmp/from_scwrl_1294167284_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 T0385 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_134666445.pdb -s /var/tmp/to_scwrl_134666445.seq -o /var/tmp/from_scwrl_134666445.pdb > /var/tmp/scwrl_134666445.log Error: Couldn't open file /var/tmp/from_scwrl_134666445.pdb or /var/tmp/from_scwrl_134666445.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_134666445_b.pdb or decoys//var/tmp/from_scwrl_134666445_b.pdb.gz for input Trying /var/tmp/from_scwrl_134666445_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_134666445_b.pdb or /var/tmp/from_scwrl_134666445_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_134666445_a.pdb or decoys//var/tmp/from_scwrl_134666445_a.pdb.gz for input Trying /var/tmp/from_scwrl_134666445_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_134666445_a.pdb or /var/tmp/from_scwrl_134666445_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_134666445.pdb or /var/tmp/from_scwrl_134666445_b.pdb or /var/tmp/from_scwrl_134666445_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 157 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1784559347.pdb -s /var/tmp/to_scwrl_1784559347.seq -o /var/tmp/from_scwrl_1784559347.pdb > /var/tmp/scwrl_1784559347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784559347.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 T0385 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_219008328.pdb -s /var/tmp/to_scwrl_219008328.seq -o /var/tmp/from_scwrl_219008328.pdb > /var/tmp/scwrl_219008328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219008328.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 T0385 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1292426836.pdb -s /var/tmp/to_scwrl_1292426836.seq -o /var/tmp/from_scwrl_1292426836.pdb > /var/tmp/scwrl_1292426836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292426836.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 T0385 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_546567373.pdb -s /var/tmp/to_scwrl_546567373.seq -o /var/tmp/from_scwrl_546567373.pdb > /var/tmp/scwrl_546567373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_546567373.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 T0385 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1523995643.pdb -s /var/tmp/to_scwrl_1523995643.seq -o /var/tmp/from_scwrl_1523995643.pdb > /var/tmp/scwrl_1523995643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1523995643.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 157 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1666798637.pdb -s /var/tmp/to_scwrl_1666798637.seq -o /var/tmp/from_scwrl_1666798637.pdb > /var/tmp/scwrl_1666798637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666798637.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1249770029.pdb -s /var/tmp/to_scwrl_1249770029.seq -o /var/tmp/from_scwrl_1249770029.pdb > /var/tmp/scwrl_1249770029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249770029.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1565208776.pdb -s /var/tmp/to_scwrl_1565208776.seq -o /var/tmp/from_scwrl_1565208776.pdb > /var/tmp/scwrl_1565208776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1565208776.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 T0385 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_818523086.pdb -s /var/tmp/to_scwrl_818523086.seq -o /var/tmp/from_scwrl_818523086.pdb > /var/tmp/scwrl_818523086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_818523086.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1057134431.pdb -s /var/tmp/to_scwrl_1057134431.seq -o /var/tmp/from_scwrl_1057134431.pdb > /var/tmp/scwrl_1057134431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057134431.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 132 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1441031043.pdb -s /var/tmp/to_scwrl_1441031043.seq -o /var/tmp/from_scwrl_1441031043.pdb > /var/tmp/scwrl_1441031043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441031043.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 132 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2030571474.pdb -s /var/tmp/to_scwrl_2030571474.seq -o /var/tmp/from_scwrl_2030571474.pdb > /var/tmp/scwrl_2030571474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030571474.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_574671496.pdb -s /var/tmp/to_scwrl_574671496.seq -o /var/tmp/from_scwrl_574671496.pdb > /var/tmp/scwrl_574671496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574671496.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1755822322.pdb -s /var/tmp/to_scwrl_1755822322.seq -o /var/tmp/from_scwrl_1755822322.pdb > /var/tmp/scwrl_1755822322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755822322.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 119 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1206075656.pdb -s /var/tmp/to_scwrl_1206075656.seq -o /var/tmp/from_scwrl_1206075656.pdb > /var/tmp/scwrl_1206075656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1206075656.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 T0385 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1347731542.pdb -s /var/tmp/to_scwrl_1347731542.seq -o /var/tmp/from_scwrl_1347731542.pdb > /var/tmp/scwrl_1347731542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347731542.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 101, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 103, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 105, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 107, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_263003048.pdb -s /var/tmp/to_scwrl_263003048.seq -o /var/tmp/from_scwrl_263003048.pdb > /var/tmp/scwrl_263003048.log Error: Couldn't open file /var/tmp/from_scwrl_263003048.pdb or /var/tmp/from_scwrl_263003048.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_263003048_b.pdb or decoys//var/tmp/from_scwrl_263003048_b.pdb.gz for input Trying /var/tmp/from_scwrl_263003048_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_263003048_b.pdb or /var/tmp/from_scwrl_263003048_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_263003048_a.pdb or decoys//var/tmp/from_scwrl_263003048_a.pdb.gz for input Trying /var/tmp/from_scwrl_263003048_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_263003048_a.pdb or /var/tmp/from_scwrl_263003048_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_263003048.pdb or /var/tmp/from_scwrl_263003048_b.pdb or /var/tmp/from_scwrl_263003048_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1835109225.pdb -s /var/tmp/to_scwrl_1835109225.seq -o /var/tmp/from_scwrl_1835109225.pdb > /var/tmp/scwrl_1835109225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1835109225.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 T0385 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_839289212.pdb -s /var/tmp/to_scwrl_839289212.seq -o /var/tmp/from_scwrl_839289212.pdb > /var/tmp/scwrl_839289212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_839289212.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 T0385 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1480316483.pdb -s /var/tmp/to_scwrl_1480316483.seq -o /var/tmp/from_scwrl_1480316483.pdb > /var/tmp/scwrl_1480316483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480316483.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 T0385 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_154395254.pdb -s /var/tmp/to_scwrl_154395254.seq -o /var/tmp/from_scwrl_154395254.pdb > /var/tmp/scwrl_154395254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_154395254.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 101, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 103, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 105, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 107, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1305399987.pdb -s /var/tmp/to_scwrl_1305399987.seq -o /var/tmp/from_scwrl_1305399987.pdb > /var/tmp/scwrl_1305399987.log Error: Couldn't open file /var/tmp/from_scwrl_1305399987.pdb or /var/tmp/from_scwrl_1305399987.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1305399987_b.pdb or decoys//var/tmp/from_scwrl_1305399987_b.pdb.gz for input Trying /var/tmp/from_scwrl_1305399987_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1305399987_b.pdb or /var/tmp/from_scwrl_1305399987_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1305399987_a.pdb or decoys//var/tmp/from_scwrl_1305399987_a.pdb.gz for input Trying /var/tmp/from_scwrl_1305399987_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1305399987_a.pdb or /var/tmp/from_scwrl_1305399987_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1305399987.pdb or /var/tmp/from_scwrl_1305399987_b.pdb or /var/tmp/from_scwrl_1305399987_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_765798808.pdb -s /var/tmp/to_scwrl_765798808.seq -o /var/tmp/from_scwrl_765798808.pdb > /var/tmp/scwrl_765798808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_765798808.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 T0385 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_191261754.pdb -s /var/tmp/to_scwrl_191261754.seq -o /var/tmp/from_scwrl_191261754.pdb > /var/tmp/scwrl_191261754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_191261754.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 218, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 220, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 458, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 460, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 462, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 464, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 542, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 544, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 546, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 548, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 550, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 552, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 554, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 556, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 578, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 580, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 582, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 584, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_828805802.pdb -s /var/tmp/to_scwrl_828805802.seq -o /var/tmp/from_scwrl_828805802.pdb > /var/tmp/scwrl_828805802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_828805802.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 161 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_822692038.pdb -s /var/tmp/to_scwrl_822692038.seq -o /var/tmp/from_scwrl_822692038.pdb > /var/tmp/scwrl_822692038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822692038.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 92 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_827190177.pdb -s /var/tmp/to_scwrl_827190177.seq -o /var/tmp/from_scwrl_827190177.pdb > /var/tmp/scwrl_827190177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827190177.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 70 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_47598075.pdb -s /var/tmp/to_scwrl_47598075.seq -o /var/tmp/from_scwrl_47598075.pdb > /var/tmp/scwrl_47598075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47598075.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 134 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1410110819.pdb -s /var/tmp/to_scwrl_1410110819.seq -o /var/tmp/from_scwrl_1410110819.pdb > /var/tmp/scwrl_1410110819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410110819.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 85 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2121357462.pdb -s /var/tmp/to_scwrl_2121357462.seq -o /var/tmp/from_scwrl_2121357462.pdb > /var/tmp/scwrl_2121357462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2121357462.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 160 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_182264520.pdb -s /var/tmp/to_scwrl_182264520.seq -o /var/tmp/from_scwrl_182264520.pdb > /var/tmp/scwrl_182264520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_182264520.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 T0385 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1047186520.pdb -s /var/tmp/to_scwrl_1047186520.seq -o /var/tmp/from_scwrl_1047186520.pdb > /var/tmp/scwrl_1047186520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047186520.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 T0385 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_192882143.pdb -s /var/tmp/to_scwrl_192882143.seq -o /var/tmp/from_scwrl_192882143.pdb > /var/tmp/scwrl_192882143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192882143.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1474691356.pdb -s /var/tmp/to_scwrl_1474691356.seq -o /var/tmp/from_scwrl_1474691356.pdb > /var/tmp/scwrl_1474691356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1474691356.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1593753893.pdb -s /var/tmp/to_scwrl_1593753893.seq -o /var/tmp/from_scwrl_1593753893.pdb > /var/tmp/scwrl_1593753893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593753893.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 T0385 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1716877786.pdb -s /var/tmp/to_scwrl_1716877786.seq -o /var/tmp/from_scwrl_1716877786.pdb > /var/tmp/scwrl_1716877786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716877786.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 T0385 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_994006347.pdb -s /var/tmp/to_scwrl_994006347.seq -o /var/tmp/from_scwrl_994006347.pdb > /var/tmp/scwrl_994006347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994006347.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_696040276.pdb -s /var/tmp/to_scwrl_696040276.seq -o /var/tmp/from_scwrl_696040276.pdb > /var/tmp/scwrl_696040276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696040276.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 T0385 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1134602915.pdb -s /var/tmp/to_scwrl_1134602915.seq -o /var/tmp/from_scwrl_1134602915.pdb > /var/tmp/scwrl_1134602915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134602915.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1812529433.pdb -s /var/tmp/to_scwrl_1812529433.seq -o /var/tmp/from_scwrl_1812529433.pdb > /var/tmp/scwrl_1812529433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812529433.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1753174706.pdb -s /var/tmp/to_scwrl_1753174706.seq -o /var/tmp/from_scwrl_1753174706.pdb > /var/tmp/scwrl_1753174706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1753174706.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_428150312.pdb -s /var/tmp/to_scwrl_428150312.seq -o /var/tmp/from_scwrl_428150312.pdb > /var/tmp/scwrl_428150312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428150312.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1695617260.pdb -s /var/tmp/to_scwrl_1695617260.seq -o /var/tmp/from_scwrl_1695617260.pdb > /var/tmp/scwrl_1695617260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1695617260.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_180362555.pdb -s /var/tmp/to_scwrl_180362555.seq -o /var/tmp/from_scwrl_180362555.pdb > /var/tmp/scwrl_180362555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_180362555.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_36488987.pdb -s /var/tmp/to_scwrl_36488987.seq -o /var/tmp/from_scwrl_36488987.pdb > /var/tmp/scwrl_36488987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_36488987.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 128 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_754209270.pdb -s /var/tmp/to_scwrl_754209270.seq -o /var/tmp/from_scwrl_754209270.pdb > /var/tmp/scwrl_754209270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754209270.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 153 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1528094097.pdb -s /var/tmp/to_scwrl_1528094097.seq -o /var/tmp/from_scwrl_1528094097.pdb > /var/tmp/scwrl_1528094097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528094097.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_299492035.pdb -s /var/tmp/to_scwrl_299492035.seq -o /var/tmp/from_scwrl_299492035.pdb > /var/tmp/scwrl_299492035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_299492035.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_441834849.pdb -s /var/tmp/to_scwrl_441834849.seq -o /var/tmp/from_scwrl_441834849.pdb > /var/tmp/scwrl_441834849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_441834849.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_219899662.pdb -s /var/tmp/to_scwrl_219899662.seq -o /var/tmp/from_scwrl_219899662.pdb > /var/tmp/scwrl_219899662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219899662.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1779808518.pdb -s /var/tmp/to_scwrl_1779808518.seq -o /var/tmp/from_scwrl_1779808518.pdb > /var/tmp/scwrl_1779808518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779808518.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_596230103.pdb -s /var/tmp/to_scwrl_596230103.seq -o /var/tmp/from_scwrl_596230103.pdb > /var/tmp/scwrl_596230103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_596230103.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 T0385 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1525299649.pdb -s /var/tmp/to_scwrl_1525299649.seq -o /var/tmp/from_scwrl_1525299649.pdb > /var/tmp/scwrl_1525299649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525299649.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 T0385 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_398123679.pdb -s /var/tmp/to_scwrl_398123679.seq -o /var/tmp/from_scwrl_398123679.pdb > /var/tmp/scwrl_398123679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398123679.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_787491857.pdb -s /var/tmp/to_scwrl_787491857.seq -o /var/tmp/from_scwrl_787491857.pdb > /var/tmp/scwrl_787491857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_787491857.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_206621804.pdb -s /var/tmp/to_scwrl_206621804.seq -o /var/tmp/from_scwrl_206621804.pdb > /var/tmp/scwrl_206621804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_206621804.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 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1220815716.pdb -s /var/tmp/to_scwrl_1220815716.seq -o /var/tmp/from_scwrl_1220815716.pdb > /var/tmp/scwrl_1220815716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1220815716.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1614682033.pdb -s /var/tmp/to_scwrl_1614682033.seq -o /var/tmp/from_scwrl_1614682033.pdb > /var/tmp/scwrl_1614682033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1614682033.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 T0385 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_254219879.pdb -s /var/tmp/to_scwrl_254219879.seq -o /var/tmp/from_scwrl_254219879.pdb > /var/tmp/scwrl_254219879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_254219879.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 T0385 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_483442889.pdb -s /var/tmp/to_scwrl_483442889.seq -o /var/tmp/from_scwrl_483442889.pdb > /var/tmp/scwrl_483442889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_483442889.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 T0385 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1588555848.pdb -s /var/tmp/to_scwrl_1588555848.seq -o /var/tmp/from_scwrl_1588555848.pdb > /var/tmp/scwrl_1588555848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1588555848.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 T0385 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_436484399.pdb -s /var/tmp/to_scwrl_436484399.seq -o /var/tmp/from_scwrl_436484399.pdb > /var/tmp/scwrl_436484399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_436484399.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 T0385 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1530629409.pdb -s /var/tmp/to_scwrl_1530629409.seq -o /var/tmp/from_scwrl_1530629409.pdb > /var/tmp/scwrl_1530629409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1530629409.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 T0385 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1781437991.pdb -s /var/tmp/to_scwrl_1781437991.seq -o /var/tmp/from_scwrl_1781437991.pdb > /var/tmp/scwrl_1781437991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1781437991.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 T0385 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1911175756.pdb -s /var/tmp/to_scwrl_1911175756.seq -o /var/tmp/from_scwrl_1911175756.pdb > /var/tmp/scwrl_1911175756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1911175756.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 T0385 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_976899656.pdb -s /var/tmp/to_scwrl_976899656.seq -o /var/tmp/from_scwrl_976899656.pdb > /var/tmp/scwrl_976899656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_976899656.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 # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1350832130.pdb -s /var/tmp/to_scwrl_1350832130.seq -o /var/tmp/from_scwrl_1350832130.pdb > /var/tmp/scwrl_1350832130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350832130.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 T0385 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_757698456.pdb -s /var/tmp/to_scwrl_757698456.seq -o /var/tmp/from_scwrl_757698456.pdb > /var/tmp/scwrl_757698456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757698456.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 T0385 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1672939931.pdb -s /var/tmp/to_scwrl_1672939931.seq -o /var/tmp/from_scwrl_1672939931.pdb > /var/tmp/scwrl_1672939931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1672939931.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 146 ; scwrl3 -i /var/tmp/to_scwrl_337951399.pdb -s /var/tmp/to_scwrl_337951399.seq -o /var/tmp/from_scwrl_337951399.pdb > /var/tmp/scwrl_337951399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337951399.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 40 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_422744242.pdb -s /var/tmp/to_scwrl_422744242.seq -o /var/tmp/from_scwrl_422744242.pdb > /var/tmp/scwrl_422744242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422744242.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 44 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1278630991.pdb -s /var/tmp/to_scwrl_1278630991.seq -o /var/tmp/from_scwrl_1278630991.pdb > /var/tmp/scwrl_1278630991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1278630991.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 # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_766101711.pdb -s /var/tmp/to_scwrl_766101711.seq -o /var/tmp/from_scwrl_766101711.pdb > /var/tmp/scwrl_766101711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_766101711.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 # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2118361503.pdb -s /var/tmp/to_scwrl_2118361503.seq -o /var/tmp/from_scwrl_2118361503.pdb > /var/tmp/scwrl_2118361503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118361503.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 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1458993546.pdb -s /var/tmp/to_scwrl_1458993546.seq -o /var/tmp/from_scwrl_1458993546.pdb > /var/tmp/scwrl_1458993546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1458993546.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 47 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_802590698.pdb -s /var/tmp/to_scwrl_802590698.seq -o /var/tmp/from_scwrl_802590698.pdb > /var/tmp/scwrl_802590698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_802590698.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 77 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_725087126.pdb -s /var/tmp/to_scwrl_725087126.seq -o /var/tmp/from_scwrl_725087126.pdb > /var/tmp/scwrl_725087126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_725087126.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 152 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_839603998.pdb -s /var/tmp/to_scwrl_839603998.seq -o /var/tmp/from_scwrl_839603998.pdb > /var/tmp/scwrl_839603998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_839603998.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 # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1102082732.pdb -s /var/tmp/to_scwrl_1102082732.seq -o /var/tmp/from_scwrl_1102082732.pdb > /var/tmp/scwrl_1102082732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102082732.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1166921974.pdb -s /var/tmp/to_scwrl_1166921974.seq -o /var/tmp/from_scwrl_1166921974.pdb > /var/tmp/scwrl_1166921974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1166921974.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 161 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1059503660.pdb -s /var/tmp/to_scwrl_1059503660.seq -o /var/tmp/from_scwrl_1059503660.pdb > /var/tmp/scwrl_1059503660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059503660.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 159 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_734407604.pdb -s /var/tmp/to_scwrl_734407604.seq -o /var/tmp/from_scwrl_734407604.pdb > /var/tmp/scwrl_734407604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734407604.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 156 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1763152077.pdb -s /var/tmp/to_scwrl_1763152077.seq -o /var/tmp/from_scwrl_1763152077.pdb > /var/tmp/scwrl_1763152077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763152077.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 160 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_437319663.pdb -s /var/tmp/to_scwrl_437319663.seq -o /var/tmp/from_scwrl_437319663.pdb > /var/tmp/scwrl_437319663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_437319663.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 T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1132531283.pdb -s /var/tmp/to_scwrl_1132531283.seq -o /var/tmp/from_scwrl_1132531283.pdb > /var/tmp/scwrl_1132531283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132531283.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 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_403160287.pdb -s /var/tmp/to_scwrl_403160287.seq -o /var/tmp/from_scwrl_403160287.pdb > /var/tmp/scwrl_403160287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403160287.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 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_643941467.pdb -s /var/tmp/to_scwrl_643941467.seq -o /var/tmp/from_scwrl_643941467.pdb > /var/tmp/scwrl_643941467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_643941467.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 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_205863353.pdb -s /var/tmp/to_scwrl_205863353.seq -o /var/tmp/from_scwrl_205863353.pdb > /var/tmp/scwrl_205863353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_205863353.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: atom 1 has residue number 25 < previous residue 162 in servers/POMYSL_TS4.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2017842321.pdb -s /var/tmp/to_scwrl_2017842321.seq -o /var/tmp/from_scwrl_2017842321.pdb > /var/tmp/scwrl_2017842321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017842321.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 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_898161347.pdb -s /var/tmp/to_scwrl_898161347.seq -o /var/tmp/from_scwrl_898161347.pdb > /var/tmp/scwrl_898161347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898161347.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_689306243.pdb -s /var/tmp/to_scwrl_689306243.seq -o /var/tmp/from_scwrl_689306243.pdb > /var/tmp/scwrl_689306243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_689306243.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1458914522.pdb -s /var/tmp/to_scwrl_1458914522.seq -o /var/tmp/from_scwrl_1458914522.pdb > /var/tmp/scwrl_1458914522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1458914522.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 146 ; scwrl3 -i /var/tmp/to_scwrl_1334645745.pdb -s /var/tmp/to_scwrl_1334645745.seq -o /var/tmp/from_scwrl_1334645745.pdb > /var/tmp/scwrl_1334645745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1334645745.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 146 ; scwrl3 -i /var/tmp/to_scwrl_72452005.pdb -s /var/tmp/to_scwrl_72452005.seq -o /var/tmp/from_scwrl_72452005.pdb > /var/tmp/scwrl_72452005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_72452005.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 146 ; scwrl3 -i /var/tmp/to_scwrl_1092868867.pdb -s /var/tmp/to_scwrl_1092868867.seq -o /var/tmp/from_scwrl_1092868867.pdb > /var/tmp/scwrl_1092868867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092868867.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 152 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1098337854.pdb -s /var/tmp/to_scwrl_1098337854.seq -o /var/tmp/from_scwrl_1098337854.pdb > /var/tmp/scwrl_1098337854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1098337854.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 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1049351661.pdb -s /var/tmp/to_scwrl_1049351661.seq -o /var/tmp/from_scwrl_1049351661.pdb > /var/tmp/scwrl_1049351661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049351661.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_296217351.pdb -s /var/tmp/to_scwrl_296217351.seq -o /var/tmp/from_scwrl_296217351.pdb > /var/tmp/scwrl_296217351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296217351.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1856036311.pdb -s /var/tmp/to_scwrl_1856036311.seq -o /var/tmp/from_scwrl_1856036311.pdb > /var/tmp/scwrl_1856036311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856036311.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 152 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_574807945.pdb -s /var/tmp/to_scwrl_574807945.seq -o /var/tmp/from_scwrl_574807945.pdb > /var/tmp/scwrl_574807945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574807945.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 T0385 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_634168751.pdb -s /var/tmp/to_scwrl_634168751.seq -o /var/tmp/from_scwrl_634168751.pdb > /var/tmp/scwrl_634168751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634168751.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 T0385 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_131296906.pdb -s /var/tmp/to_scwrl_131296906.seq -o /var/tmp/from_scwrl_131296906.pdb > /var/tmp/scwrl_131296906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_131296906.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1853438936.pdb -s /var/tmp/to_scwrl_1853438936.seq -o /var/tmp/from_scwrl_1853438936.pdb > /var/tmp/scwrl_1853438936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853438936.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 T0385 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1400270461.pdb -s /var/tmp/to_scwrl_1400270461.seq -o /var/tmp/from_scwrl_1400270461.pdb > /var/tmp/scwrl_1400270461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400270461.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 T0385 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_102174762.pdb -s /var/tmp/to_scwrl_102174762.seq -o /var/tmp/from_scwrl_102174762.pdb > /var/tmp/scwrl_102174762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102174762.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 T0385 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1164948836.pdb -s /var/tmp/to_scwrl_1164948836.seq -o /var/tmp/from_scwrl_1164948836.pdb > /var/tmp/scwrl_1164948836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1164948836.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 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_55377513.pdb -s /var/tmp/to_scwrl_55377513.seq -o /var/tmp/from_scwrl_55377513.pdb > /var/tmp/scwrl_55377513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_55377513.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 T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_827261889.pdb -s /var/tmp/to_scwrl_827261889.seq -o /var/tmp/from_scwrl_827261889.pdb > /var/tmp/scwrl_827261889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827261889.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 T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2004552834.pdb -s /var/tmp/to_scwrl_2004552834.seq -o /var/tmp/from_scwrl_2004552834.pdb > /var/tmp/scwrl_2004552834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2004552834.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 T0385 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 146 ; scwrl3 -i /var/tmp/to_scwrl_1157460245.pdb -s /var/tmp/to_scwrl_1157460245.seq -o /var/tmp/from_scwrl_1157460245.pdb > /var/tmp/scwrl_1157460245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1157460245.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 T0385 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 146 ; scwrl3 -i /var/tmp/to_scwrl_1994183863.pdb -s /var/tmp/to_scwrl_1994183863.seq -o /var/tmp/from_scwrl_1994183863.pdb > /var/tmp/scwrl_1994183863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1994183863.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 93 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_916572847.pdb -s /var/tmp/to_scwrl_916572847.seq -o /var/tmp/from_scwrl_916572847.pdb > /var/tmp/scwrl_916572847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916572847.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1891867850.pdb -s /var/tmp/to_scwrl_1891867850.seq -o /var/tmp/from_scwrl_1891867850.pdb > /var/tmp/scwrl_1891867850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1891867850.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 124 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1609852294.pdb -s /var/tmp/to_scwrl_1609852294.seq -o /var/tmp/from_scwrl_1609852294.pdb > /var/tmp/scwrl_1609852294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1609852294.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 145 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1353892509.pdb -s /var/tmp/to_scwrl_1353892509.seq -o /var/tmp/from_scwrl_1353892509.pdb > /var/tmp/scwrl_1353892509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1353892509.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 T0385 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_876915487.pdb -s /var/tmp/to_scwrl_876915487.seq -o /var/tmp/from_scwrl_876915487.pdb > /var/tmp/scwrl_876915487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_876915487.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 # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2013012581.pdb -s /var/tmp/to_scwrl_2013012581.seq -o /var/tmp/from_scwrl_2013012581.pdb > /var/tmp/scwrl_2013012581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013012581.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 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1997833977.pdb -s /var/tmp/to_scwrl_1997833977.seq -o /var/tmp/from_scwrl_1997833977.pdb > /var/tmp/scwrl_1997833977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997833977.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 109 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1082778839.pdb -s /var/tmp/to_scwrl_1082778839.seq -o /var/tmp/from_scwrl_1082778839.pdb > /var/tmp/scwrl_1082778839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1082778839.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 38 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1883371255.pdb -s /var/tmp/to_scwrl_1883371255.seq -o /var/tmp/from_scwrl_1883371255.pdb > /var/tmp/scwrl_1883371255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1883371255.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 38 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_748511677.pdb -s /var/tmp/to_scwrl_748511677.seq -o /var/tmp/from_scwrl_748511677.pdb > /var/tmp/scwrl_748511677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_748511677.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1772085082.pdb -s /var/tmp/to_scwrl_1772085082.seq -o /var/tmp/from_scwrl_1772085082.pdb > /var/tmp/scwrl_1772085082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1772085082.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 158 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1194802131.pdb -s /var/tmp/to_scwrl_1194802131.seq -o /var/tmp/from_scwrl_1194802131.pdb > /var/tmp/scwrl_1194802131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1194802131.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 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2083157422.pdb -s /var/tmp/to_scwrl_2083157422.seq -o /var/tmp/from_scwrl_2083157422.pdb > /var/tmp/scwrl_2083157422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083157422.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 156 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1844537087.pdb -s /var/tmp/to_scwrl_1844537087.seq -o /var/tmp/from_scwrl_1844537087.pdb > /var/tmp/scwrl_1844537087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1844537087.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 157 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_140187352.pdb -s /var/tmp/to_scwrl_140187352.seq -o /var/tmp/from_scwrl_140187352.pdb > /var/tmp/scwrl_140187352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140187352.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 38 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1034011631.pdb -s /var/tmp/to_scwrl_1034011631.seq -o /var/tmp/from_scwrl_1034011631.pdb > /var/tmp/scwrl_1034011631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1034011631.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_746405101.pdb -s /var/tmp/to_scwrl_746405101.seq -o /var/tmp/from_scwrl_746405101.pdb > /var/tmp/scwrl_746405101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746405101.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 # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_436404703.pdb -s /var/tmp/to_scwrl_436404703.seq -o /var/tmp/from_scwrl_436404703.pdb > /var/tmp/scwrl_436404703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_436404703.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 146 ; scwrl3 -i /var/tmp/to_scwrl_742564295.pdb -s /var/tmp/to_scwrl_742564295.seq -o /var/tmp/from_scwrl_742564295.pdb > /var/tmp/scwrl_742564295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_742564295.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1321213046.pdb -s /var/tmp/to_scwrl_1321213046.seq -o /var/tmp/from_scwrl_1321213046.pdb > /var/tmp/scwrl_1321213046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321213046.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 147 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1070573454.pdb -s /var/tmp/to_scwrl_1070573454.seq -o /var/tmp/from_scwrl_1070573454.pdb > /var/tmp/scwrl_1070573454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070573454.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 145 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_873861201.pdb -s /var/tmp/to_scwrl_873861201.seq -o /var/tmp/from_scwrl_873861201.pdb > /var/tmp/scwrl_873861201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_873861201.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 124 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1027168336.pdb -s /var/tmp/to_scwrl_1027168336.seq -o /var/tmp/from_scwrl_1027168336.pdb > /var/tmp/scwrl_1027168336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027168336.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 93 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_323360269.pdb -s /var/tmp/to_scwrl_323360269.seq -o /var/tmp/from_scwrl_323360269.pdb > /var/tmp/scwrl_323360269.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_323360269.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 150 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_976035964.pdb -s /var/tmp/to_scwrl_976035964.seq -o /var/tmp/from_scwrl_976035964.pdb > /var/tmp/scwrl_976035964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_976035964.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 62 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_44633525.pdb -s /var/tmp/to_scwrl_44633525.seq -o /var/tmp/from_scwrl_44633525.pdb > /var/tmp/scwrl_44633525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_44633525.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 # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_378737782.pdb -s /var/tmp/to_scwrl_378737782.seq -o /var/tmp/from_scwrl_378737782.pdb > /var/tmp/scwrl_378737782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378737782.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 157 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1803297852.pdb -s /var/tmp/to_scwrl_1803297852.seq -o /var/tmp/from_scwrl_1803297852.pdb > /var/tmp/scwrl_1803297852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803297852.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2049186359.pdb -s /var/tmp/to_scwrl_2049186359.seq -o /var/tmp/from_scwrl_2049186359.pdb > /var/tmp/scwrl_2049186359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2049186359.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 T0385 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1536198027.pdb -s /var/tmp/to_scwrl_1536198027.seq -o /var/tmp/from_scwrl_1536198027.pdb > /var/tmp/scwrl_1536198027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1536198027.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 Skipped atom 218, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 220, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 222, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1649998068.pdb -s /var/tmp/to_scwrl_1649998068.seq -o /var/tmp/from_scwrl_1649998068.pdb > /var/tmp/scwrl_1649998068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1649998068.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_818275560.pdb -s /var/tmp/to_scwrl_818275560.seq -o /var/tmp/from_scwrl_818275560.pdb > /var/tmp/scwrl_818275560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_818275560.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 Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 166, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 168, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 186, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 188, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1280582230.pdb -s /var/tmp/to_scwrl_1280582230.seq -o /var/tmp/from_scwrl_1280582230.pdb > /var/tmp/scwrl_1280582230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1280582230.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1112366715.pdb -s /var/tmp/to_scwrl_1112366715.seq -o /var/tmp/from_scwrl_1112366715.pdb > /var/tmp/scwrl_1112366715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112366715.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 T0385 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_24684422.pdb -s /var/tmp/to_scwrl_24684422.seq -o /var/tmp/from_scwrl_24684422.pdb > /var/tmp/scwrl_24684422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24684422.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 T0385 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_10014070.pdb -s /var/tmp/to_scwrl_10014070.seq -o /var/tmp/from_scwrl_10014070.pdb > /var/tmp/scwrl_10014070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10014070.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 T0385 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_977895651.pdb -s /var/tmp/to_scwrl_977895651.seq -o /var/tmp/from_scwrl_977895651.pdb > /var/tmp/scwrl_977895651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_977895651.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 T0385 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2022518399.pdb -s /var/tmp/to_scwrl_2022518399.seq -o /var/tmp/from_scwrl_2022518399.pdb > /var/tmp/scwrl_2022518399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2022518399.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 5 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1092792910.pdb -s /var/tmp/to_scwrl_1092792910.seq -o /var/tmp/from_scwrl_1092792910.pdb > /var/tmp/scwrl_1092792910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092792910.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 84 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_713783259.pdb -s /var/tmp/to_scwrl_713783259.seq -o /var/tmp/from_scwrl_713783259.pdb > /var/tmp/scwrl_713783259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_713783259.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 87 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_623546429.pdb -s /var/tmp/to_scwrl_623546429.seq -o /var/tmp/from_scwrl_623546429.pdb > /var/tmp/scwrl_623546429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_623546429.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 # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_717394346.pdb -s /var/tmp/to_scwrl_717394346.seq -o /var/tmp/from_scwrl_717394346.pdb > /var/tmp/scwrl_717394346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_717394346.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 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1908585390.pdb -s /var/tmp/to_scwrl_1908585390.seq -o /var/tmp/from_scwrl_1908585390.pdb > /var/tmp/scwrl_1908585390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908585390.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 5 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_559220205.pdb -s /var/tmp/to_scwrl_559220205.seq -o /var/tmp/from_scwrl_559220205.pdb > /var/tmp/scwrl_559220205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559220205.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_414447787.pdb -s /var/tmp/to_scwrl_414447787.seq -o /var/tmp/from_scwrl_414447787.pdb > /var/tmp/scwrl_414447787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_414447787.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 12 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2048772742.pdb -s /var/tmp/to_scwrl_2048772742.seq -o /var/tmp/from_scwrl_2048772742.pdb > /var/tmp/scwrl_2048772742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048772742.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 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1593231835.pdb -s /var/tmp/to_scwrl_1593231835.seq -o /var/tmp/from_scwrl_1593231835.pdb > /var/tmp/scwrl_1593231835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593231835.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 20 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1160852887.pdb -s /var/tmp/to_scwrl_1160852887.seq -o /var/tmp/from_scwrl_1160852887.pdb > /var/tmp/scwrl_1160852887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1160852887.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 84 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_337693799.pdb -s /var/tmp/to_scwrl_337693799.seq -o /var/tmp/from_scwrl_337693799.pdb > /var/tmp/scwrl_337693799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337693799.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 87 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_188312483.pdb -s /var/tmp/to_scwrl_188312483.seq -o /var/tmp/from_scwrl_188312483.pdb > /var/tmp/scwrl_188312483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_188312483.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 # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_334582287.pdb -s /var/tmp/to_scwrl_334582287.seq -o /var/tmp/from_scwrl_334582287.pdb > /var/tmp/scwrl_334582287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_334582287.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 5 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1408267252.pdb -s /var/tmp/to_scwrl_1408267252.seq -o /var/tmp/from_scwrl_1408267252.pdb > /var/tmp/scwrl_1408267252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1408267252.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1062173684.pdb -s /var/tmp/to_scwrl_1062173684.seq -o /var/tmp/from_scwrl_1062173684.pdb > /var/tmp/scwrl_1062173684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1062173684.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 T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1361750623.pdb -s /var/tmp/to_scwrl_1361750623.seq -o /var/tmp/from_scwrl_1361750623.pdb > /var/tmp/scwrl_1361750623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1361750623.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 T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1731627521.pdb -s /var/tmp/to_scwrl_1731627521.seq -o /var/tmp/from_scwrl_1731627521.pdb > /var/tmp/scwrl_1731627521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1731627521.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 T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2038209647.pdb -s /var/tmp/to_scwrl_2038209647.seq -o /var/tmp/from_scwrl_2038209647.pdb > /var/tmp/scwrl_2038209647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2038209647.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 T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1406384148.pdb -s /var/tmp/to_scwrl_1406384148.seq -o /var/tmp/from_scwrl_1406384148.pdb > /var/tmp/scwrl_1406384148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406384148.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 T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2110365303.pdb -s /var/tmp/to_scwrl_2110365303.seq -o /var/tmp/from_scwrl_2110365303.pdb > /var/tmp/scwrl_2110365303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110365303.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1694023852.pdb -s /var/tmp/to_scwrl_1694023852.seq -o /var/tmp/from_scwrl_1694023852.pdb > /var/tmp/scwrl_1694023852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1694023852.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 Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 218, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 220, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 222, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1308086861.pdb -s /var/tmp/to_scwrl_1308086861.seq -o /var/tmp/from_scwrl_1308086861.pdb > /var/tmp/scwrl_1308086861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1308086861.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 T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1499079684.pdb -s /var/tmp/to_scwrl_1499079684.seq -o /var/tmp/from_scwrl_1499079684.pdb > /var/tmp/scwrl_1499079684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499079684.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 T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1196538274.pdb -s /var/tmp/to_scwrl_1196538274.seq -o /var/tmp/from_scwrl_1196538274.pdb > /var/tmp/scwrl_1196538274.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1196538274.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2126362421.pdb -s /var/tmp/to_scwrl_2126362421.seq -o /var/tmp/from_scwrl_2126362421.pdb > /var/tmp/scwrl_2126362421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2126362421.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 T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_632178268.pdb -s /var/tmp/to_scwrl_632178268.seq -o /var/tmp/from_scwrl_632178268.pdb > /var/tmp/scwrl_632178268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_632178268.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 87 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_161421343.pdb -s /var/tmp/to_scwrl_161421343.seq -o /var/tmp/from_scwrl_161421343.pdb > /var/tmp/scwrl_161421343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161421343.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 157 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_3563196.pdb -s /var/tmp/to_scwrl_3563196.seq -o /var/tmp/from_scwrl_3563196.pdb > /var/tmp/scwrl_3563196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3563196.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 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_642192339.pdb -s /var/tmp/to_scwrl_642192339.seq -o /var/tmp/from_scwrl_642192339.pdb > /var/tmp/scwrl_642192339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_642192339.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 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1139316993.pdb -s /var/tmp/to_scwrl_1139316993.seq -o /var/tmp/from_scwrl_1139316993.pdb > /var/tmp/scwrl_1139316993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139316993.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 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_2026081596.pdb -s /var/tmp/to_scwrl_2026081596.seq -o /var/tmp/from_scwrl_2026081596.pdb > /var/tmp/scwrl_2026081596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026081596.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 161 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1734985249.pdb -s /var/tmp/to_scwrl_1734985249.seq -o /var/tmp/from_scwrl_1734985249.pdb > /var/tmp/scwrl_1734985249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734985249.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 T0385 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1853100253.pdb -s /var/tmp/to_scwrl_1853100253.seq -o /var/tmp/from_scwrl_1853100253.pdb > /var/tmp/scwrl_1853100253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853100253.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_502144378.pdb -s /var/tmp/to_scwrl_502144378.seq -o /var/tmp/from_scwrl_502144378.pdb > /var/tmp/scwrl_502144378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_502144378.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 T0385 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_304895948.pdb -s /var/tmp/to_scwrl_304895948.seq -o /var/tmp/from_scwrl_304895948.pdb > /var/tmp/scwrl_304895948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_304895948.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 T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1614201996.pdb -s /var/tmp/to_scwrl_1614201996.seq -o /var/tmp/from_scwrl_1614201996.pdb > /var/tmp/scwrl_1614201996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1614201996.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 T0385 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1061364583.pdb -s /var/tmp/to_scwrl_1061364583.seq -o /var/tmp/from_scwrl_1061364583.pdb > /var/tmp/scwrl_1061364583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061364583.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_719343735.pdb -s /var/tmp/to_scwrl_719343735.seq -o /var/tmp/from_scwrl_719343735.pdb > /var/tmp/scwrl_719343735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_719343735.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1515491092.pdb -s /var/tmp/to_scwrl_1515491092.seq -o /var/tmp/from_scwrl_1515491092.pdb > /var/tmp/scwrl_1515491092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1515491092.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 120 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_507112771.pdb -s /var/tmp/to_scwrl_507112771.seq -o /var/tmp/from_scwrl_507112771.pdb > /var/tmp/scwrl_507112771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_507112771.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 140 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1880196623.pdb -s /var/tmp/to_scwrl_1880196623.seq -o /var/tmp/from_scwrl_1880196623.pdb > /var/tmp/scwrl_1880196623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1880196623.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 89 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1853184891.pdb -s /var/tmp/to_scwrl_1853184891.seq -o /var/tmp/from_scwrl_1853184891.pdb > /var/tmp/scwrl_1853184891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853184891.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 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_695425254.pdb -s /var/tmp/to_scwrl_695425254.seq -o /var/tmp/from_scwrl_695425254.pdb > /var/tmp/scwrl_695425254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695425254.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: (T0385)A10.O and (T0385)T11.N only 0.000 apart, marking (T0385)T11.N as missing # WARNING: incomplete conformation T0385 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 146 ; scwrl3 -i /var/tmp/to_scwrl_67295263.pdb -s /var/tmp/to_scwrl_67295263.seq -o /var/tmp/from_scwrl_67295263.pdb > /var/tmp/scwrl_67295263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67295263.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0385)W151.O and (T0385)P152.N only 0.000 apart, marking (T0385)P152.N as missing # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1113968496.pdb -s /var/tmp/to_scwrl_1113968496.seq -o /var/tmp/from_scwrl_1113968496.pdb > /var/tmp/scwrl_1113968496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1113968496.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0385)R105.O and (T0385)M106.N only 0.000 apart, marking (T0385)M106.N as missing WARNING: atoms too close: (T0385)A150.O and (T0385)W151.N only 0.000 apart, marking (T0385)W151.N as missing # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1757598938.pdb -s /var/tmp/to_scwrl_1757598938.seq -o /var/tmp/from_scwrl_1757598938.pdb > /var/tmp/scwrl_1757598938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757598938.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0385)A35.O and (T0385)T36.N only 0.000 apart, marking (T0385)T36.N as missing WARNING: atoms too close: (T0385)V93.O and (T0385)S94.N only 0.000 apart, marking (T0385)S94.N as missing # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1429045886.pdb -s /var/tmp/to_scwrl_1429045886.seq -o /var/tmp/from_scwrl_1429045886.pdb > /var/tmp/scwrl_1429045886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429045886.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0385)P158.O and (T0385)G159.N only 0.000 apart, marking (T0385)G159.N as missing # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_698112372.pdb -s /var/tmp/to_scwrl_698112372.seq -o /var/tmp/from_scwrl_698112372.pdb > /var/tmp/scwrl_698112372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_698112372.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 T0385 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1648324938.pdb -s /var/tmp/to_scwrl_1648324938.seq -o /var/tmp/from_scwrl_1648324938.pdb > /var/tmp/scwrl_1648324938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1648324938.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 T0385 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_687946389.pdb -s /var/tmp/to_scwrl_687946389.seq -o /var/tmp/from_scwrl_687946389.pdb > /var/tmp/scwrl_687946389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_687946389.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 T0385 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_660994028.pdb -s /var/tmp/to_scwrl_660994028.seq -o /var/tmp/from_scwrl_660994028.pdb > /var/tmp/scwrl_660994028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660994028.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 T0385 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1194865144.pdb -s /var/tmp/to_scwrl_1194865144.seq -o /var/tmp/from_scwrl_1194865144.pdb > /var/tmp/scwrl_1194865144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1194865144.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 T0385 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1996033250.pdb -s /var/tmp/to_scwrl_1996033250.seq -o /var/tmp/from_scwrl_1996033250.pdb > /var/tmp/scwrl_1996033250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996033250.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 146 ; scwrl3 -i /var/tmp/to_scwrl_12590065.pdb -s /var/tmp/to_scwrl_12590065.seq -o /var/tmp/from_scwrl_12590065.pdb > /var/tmp/scwrl_12590065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_12590065.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 146 ; scwrl3 -i /var/tmp/to_scwrl_243919772.pdb -s /var/tmp/to_scwrl_243919772.seq -o /var/tmp/from_scwrl_243919772.pdb > /var/tmp/scwrl_243919772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_243919772.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 146 ; scwrl3 -i /var/tmp/to_scwrl_1974912024.pdb -s /var/tmp/to_scwrl_1974912024.seq -o /var/tmp/from_scwrl_1974912024.pdb > /var/tmp/scwrl_1974912024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1974912024.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 48 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_644768334.pdb -s /var/tmp/to_scwrl_644768334.seq -o /var/tmp/from_scwrl_644768334.pdb > /var/tmp/scwrl_644768334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_644768334.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 146 ; scwrl3 -i /var/tmp/to_scwrl_405341115.pdb -s /var/tmp/to_scwrl_405341115.seq -o /var/tmp/from_scwrl_405341115.pdb > /var/tmp/scwrl_405341115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_405341115.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 T0385 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1978475220.pdb -s /var/tmp/to_scwrl_1978475220.seq -o /var/tmp/from_scwrl_1978475220.pdb > /var/tmp/scwrl_1978475220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978475220.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 T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1286960672.pdb -s /var/tmp/to_scwrl_1286960672.seq -o /var/tmp/from_scwrl_1286960672.pdb > /var/tmp/scwrl_1286960672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1286960672.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 T0385 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1544658109.pdb -s /var/tmp/to_scwrl_1544658109.seq -o /var/tmp/from_scwrl_1544658109.pdb > /var/tmp/scwrl_1544658109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544658109.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 T0385 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1857073169.pdb -s /var/tmp/to_scwrl_1857073169.seq -o /var/tmp/from_scwrl_1857073169.pdb > /var/tmp/scwrl_1857073169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1857073169.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 T0385 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_874462275.pdb -s /var/tmp/to_scwrl_874462275.seq -o /var/tmp/from_scwrl_874462275.pdb > /var/tmp/scwrl_874462275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_874462275.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 T0385 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1250274715.pdb -s /var/tmp/to_scwrl_1250274715.seq -o /var/tmp/from_scwrl_1250274715.pdb > /var/tmp/scwrl_1250274715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250274715.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_211733901.pdb -s /var/tmp/to_scwrl_211733901.seq -o /var/tmp/from_scwrl_211733901.pdb > /var/tmp/scwrl_211733901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211733901.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 146 ; scwrl3 -i /var/tmp/to_scwrl_1179358222.pdb -s /var/tmp/to_scwrl_1179358222.seq -o /var/tmp/from_scwrl_1179358222.pdb > /var/tmp/scwrl_1179358222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1179358222.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 123.747 sec, elapsed time= 590.605 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 50.316 real_cost = -151.842 shub_TS1 costs 50.316 real_cost = -149.537 panther2_TS1-scwrl costs 127.310 real_cost = 528.682 panther2_TS1 costs 127.311 real_cost = 520.713 nFOLD_TS5-scwrl costs 50.451 real_cost = -95.575 nFOLD_TS5 costs 50.708 real_cost = -21.576 nFOLD_TS4-scwrl costs 48.782 real_cost = -136.798 nFOLD_TS4 costs 48.786 real_cost = -78.785 nFOLD_TS3-scwrl costs 40.971 real_cost = -157.700 nFOLD_TS3 costs 41.221 real_cost = -93.232 nFOLD_TS2-scwrl costs 46.463 real_cost = -155.712 nFOLD_TS2 costs 46.448 real_cost = -82.477 nFOLD_TS1-scwrl costs 48.754 real_cost = -136.763 nFOLD_TS1 costs 48.754 real_cost = -66.484 mGen-3D_TS1-scwrl costs 46.905 real_cost = -150.123 mGen-3D_TS1 costs 46.890 real_cost = -77.038 keasar-server_TS5-scwrl costs 53.886 real_cost = -100.944 keasar-server_TS5 costs 53.886 real_cost = -107.234 keasar-server_TS4-scwrl costs 42.238 real_cost = -131.639 keasar-server_TS4 costs 42.238 real_cost = -126.319 keasar-server_TS3-scwrl costs 47.904 real_cost = -79.631 keasar-server_TS3 costs 47.904 real_cost = -75.877 keasar-server_TS2-scwrl costs 47.904 real_cost = -79.631 keasar-server_TS2 costs 47.904 real_cost = -75.877 keasar-server_TS1-scwrl costs 41.218 real_cost = -138.067 keasar-server_TS1 costs 41.218 real_cost = -135.515 karypis.srv_TS5-scwrl costs 34.031 real_cost = -111.554 karypis.srv_TS5 costs 33.987 real_cost = -114.264 karypis.srv_TS4-scwrl costs 45.845 real_cost = -141.813 karypis.srv_TS4 costs 45.845 real_cost = -142.851 karypis.srv_TS3-scwrl costs 34.727 real_cost = -172.323 karypis.srv_TS3 costs 34.728 real_cost = -173.818 karypis.srv_TS2-scwrl costs 41.453 real_cost = -130.829 karypis.srv_TS2 costs 41.427 real_cost = -134.229 karypis.srv_TS1-scwrl costs 36.477 real_cost = -147.160 karypis.srv_TS1 costs 36.469 real_cost = -150.254 karypis.srv.4_TS5-scwrl costs 141.446 real_cost = 182.038 karypis.srv.4_TS5 costs 141.446 real_cost = 181.736 karypis.srv.4_TS4-scwrl costs 148.273 real_cost = 239.240 karypis.srv.4_TS4 costs 148.273 real_cost = 246.900 karypis.srv.4_TS3-scwrl costs 150.676 real_cost = 251.431 karypis.srv.4_TS3 costs 150.676 real_cost = 251.413 karypis.srv.4_TS2-scwrl costs 101.906 real_cost = 166.543 karypis.srv.4_TS2 costs 101.906 real_cost = 165.401 karypis.srv.4_TS1-scwrl costs 133.163 real_cost = 178.648 karypis.srv.4_TS1 costs 133.163 real_cost = 178.648 karypis.srv.2_TS5-scwrl costs 50.660 real_cost = -92.363 karypis.srv.2_TS5 costs 50.660 real_cost = -94.435 karypis.srv.2_TS4-scwrl costs 47.086 real_cost = -89.587 karypis.srv.2_TS4 costs 47.086 real_cost = -89.587 karypis.srv.2_TS3-scwrl costs 47.071 real_cost = -86.136 karypis.srv.2_TS3 costs 47.071 real_cost = -86.136 karypis.srv.2_TS2-scwrl costs 45.776 real_cost = -54.832 karypis.srv.2_TS2 costs 45.776 real_cost = -54.832 karypis.srv.2_TS1-scwrl costs 52.715 real_cost = -112.604 karypis.srv.2_TS1 costs 52.715 real_cost = -112.604 forecast-s_AL5-scwrl costs 40.820 real_cost = -127.495 forecast-s_AL5 costs 40.830 real_cost = -54.486 forecast-s_AL4-scwrl costs 49.716 real_cost = 104.008 forecast-s_AL4 costs 49.627 real_cost = 177.295 forecast-s_AL3-scwrl costs 44.511 real_cost = -166.944 forecast-s_AL3 costs 44.511 real_cost = -71.214 forecast-s_AL2-scwrl costs 38.301 real_cost = -137.384 forecast-s_AL2 costs 38.305 real_cost = -52.931 forecast-s_AL1-scwrl costs 56.775 real_cost = -95.681 forecast-s_AL1 costs 56.785 real_cost = -14.682 beautshotbase_TS1-scwrl costs 42.502 real_cost = -130.189 beautshotbase_TS1 costs 42.535 real_cost = -135.537 beautshot_TS1-scwrl costs 41.351 real_cost = -166.389 beautshot_TS1 costs 41.351 real_cost = -163.211 Zhang-Server_TS5-scwrl costs 47.626 real_cost = -210.344 Zhang-Server_TS5 costs 47.626 real_cost = -210.232 Zhang-Server_TS4-scwrl costs 44.699 real_cost = -163.800 Zhang-Server_TS4 costs 44.699 real_cost = -163.800 Zhang-Server_TS3-scwrl costs 44.801 real_cost = -191.296 Zhang-Server_TS3 costs 44.801 real_cost = -191.296 Zhang-Server_TS2-scwrl costs 41.427 real_cost = -199.940 Zhang-Server_TS2 costs 41.427 real_cost = -199.940 Zhang-Server_TS1-scwrl costs 43.253 real_cost = -189.910 Zhang-Server_TS1 costs 43.253 real_cost = -189.910 UNI-EID_sfst_AL5-scwrl costs 52.645 real_cost = -65.214 UNI-EID_sfst_AL5 costs 52.658 real_cost = 17.067 UNI-EID_sfst_AL4-scwrl costs 39.175 real_cost = -147.876 UNI-EID_sfst_AL4 costs 39.167 real_cost = -76.497 UNI-EID_sfst_AL3-scwrl costs 58.422 real_cost = 11.894 UNI-EID_sfst_AL3 costs 58.397 real_cost = 96.009 UNI-EID_sfst_AL2-scwrl costs 54.180 real_cost = -83.374 UNI-EID_sfst_AL2 costs 54.338 real_cost = -8.649 UNI-EID_sfst_AL1-scwrl costs 52.016 real_cost = -120.407 UNI-EID_sfst_AL1 costs 51.991 real_cost = -40.140 UNI-EID_expm_TS1-scwrl costs 64.183 real_cost = -145.028 UNI-EID_expm_TS1 costs 64.260 real_cost = -88.103 UNI-EID_bnmx_TS5-scwrl costs 57.518 real_cost = -94.488 UNI-EID_bnmx_TS5 costs 57.582 real_cost = -5.726 UNI-EID_bnmx_TS4-scwrl costs 40.633 real_cost = -147.189 UNI-EID_bnmx_TS4 costs 40.671 real_cost = -62.412 UNI-EID_bnmx_TS3-scwrl costs 52.759 real_cost = -60.488 UNI-EID_bnmx_TS3 costs 52.747 real_cost = 42.762 UNI-EID_bnmx_TS2-scwrl costs 56.455 real_cost = -85.576 UNI-EID_bnmx_TS2 costs 56.683 real_cost = 6.729 UNI-EID_bnmx_TS1-scwrl costs 53.792 real_cost = -89.303 UNI-EID_bnmx_TS1 costs 53.800 real_cost = 12.447 SPARKS2_TS5-scwrl costs 37.184 real_cost = -154.451 SPARKS2_TS5 costs 37.184 real_cost = -150.692 SPARKS2_TS4-scwrl costs 37.276 real_cost = -154.674 SPARKS2_TS4 costs 37.276 real_cost = -152.114 SPARKS2_TS3-scwrl costs 39.462 real_cost = -140.869 SPARKS2_TS3 costs 39.462 real_cost = -127.887 SPARKS2_TS2-scwrl costs 37.317 real_cost = -142.692 SPARKS2_TS2 costs 37.317 real_cost = -133.378 SPARKS2_TS1-scwrl costs 40.169 real_cost = -128.253 SPARKS2_TS1 costs 40.169 real_cost = -120.961 SP4_TS5-scwrl costs 46.405 real_cost = -86.749 SP4_TS5 costs 46.405 real_cost = -86.383 SP4_TS4-scwrl costs 40.182 real_cost = -109.982 SP4_TS4 costs 40.182 real_cost = -106.842 SP4_TS3-scwrl costs 44.956 real_cost = -132.223 SP4_TS3 costs 44.956 real_cost = -129.830 SP4_TS2-scwrl costs 33.718 real_cost = -149.145 SP4_TS2 costs 33.718 real_cost = -146.903 SP4_TS1-scwrl costs 30.749 real_cost = -139.607 SP4_TS1 costs 30.749 real_cost = -138.044 SP3_TS5-scwrl costs 44.699 real_cost = -100.186 SP3_TS5 costs 44.699 real_cost = -96.002 SP3_TS4-scwrl costs 43.267 real_cost = -87.136 SP3_TS4 costs 43.267 real_cost = -82.922 SP3_TS3-scwrl costs 31.237 real_cost = -151.049 SP3_TS3 costs 31.237 real_cost = -141.328 SP3_TS2-scwrl costs 36.706 real_cost = -136.953 SP3_TS2 costs 36.706 real_cost = -127.755 SP3_TS1-scwrl costs 37.276 real_cost = -154.674 SP3_TS1 costs 37.276 real_cost = -152.114 SAM_T06_server_TS5-scwrl costs 45.490 real_cost = -27.503 SAM_T06_server_TS5 costs 45.464 real_cost = -32.703 SAM_T06_server_TS4-scwrl costs 50.810 real_cost = -75.454 SAM_T06_server_TS4 costs 51.347 real_cost = -84.660 SAM_T06_server_TS3-scwrl costs 41.982 real_cost = -132.510 SAM_T06_server_TS3 costs 41.995 real_cost = -135.462 SAM_T06_server_TS2-scwrl costs 48.450 real_cost = -122.350 SAM_T06_server_TS2 costs 48.667 real_cost = -132.586 SAM_T06_server_TS1-scwrl costs 48.810 real_cost = -62.148 SAM_T06_server_TS1 costs 48.810 real_cost = -61.097 SAM-T02_AL5-scwrl costs 51.434 real_cost = -40.466 SAM-T02_AL5 costs 51.481 real_cost = 41.382 SAM-T02_AL4-scwrl costs 49.302 real_cost = -10.054 SAM-T02_AL4 costs 49.280 real_cost = 57.204 SAM-T02_AL3-scwrl costs 66.251 real_cost = 64.479 SAM-T02_AL3 costs 66.254 real_cost = 132.127 SAM-T02_AL2-scwrl costs 58.597 real_cost = 44.653 SAM-T02_AL2 costs 58.576 real_cost = 115.398 SAM-T02_AL1-scwrl costs 52.693 real_cost = -5.072 SAM-T02_AL1 costs 52.679 real_cost = 65.122 ROKKY_TS3-scwrl costs 68.635 real_cost = -89.650 ROKKY_TS3 costs 68.635 real_cost = -88.943 ROKKY_TS2-scwrl costs 43.035 real_cost = -127.848 ROKKY_TS2 costs 43.035 real_cost = -124.985 ROKKY_TS1-scwrl costs 77.804 real_cost = -9.984 ROKKY_TS1 costs 77.804 real_cost = -5.318 ROBETTA_TS5-scwrl costs 38.619 real_cost = -123.645 ROBETTA_TS5 costs 38.619 real_cost = -125.797 ROBETTA_TS4-scwrl costs 32.189 real_cost = -159.062 ROBETTA_TS4 costs 32.189 real_cost = -160.245 ROBETTA_TS3-scwrl costs 37.123 real_cost = -178.968 ROBETTA_TS3 costs 37.123 real_cost = -182.242 ROBETTA_TS2-scwrl costs 41.612 real_cost = -120.963 ROBETTA_TS2 costs 41.612 real_cost = -125.008 ROBETTA_TS1-scwrl costs 36.326 real_cost = -134.455 ROBETTA_TS1 costs 36.326 real_cost = -137.473 RAPTOR_TS5-scwrl costs 39.780 real_cost = -157.530 RAPTOR_TS5 costs 39.780 real_cost = -142.937 RAPTOR_TS4-scwrl costs 30.767 real_cost = -155.678 RAPTOR_TS4 costs 30.767 real_cost = -152.851 RAPTOR_TS3-scwrl costs 41.623 real_cost = -157.427 RAPTOR_TS3 costs 41.623 real_cost = -153.725 RAPTOR_TS2-scwrl costs 36.623 real_cost = -173.888 RAPTOR_TS2 costs 36.623 real_cost = -170.044 RAPTOR_TS1-scwrl costs 34.325 real_cost = -155.314 RAPTOR_TS1 costs 34.325 real_cost = -144.548 RAPTORESS_TS5-scwrl costs 53.383 real_cost = -150.579 RAPTORESS_TS5 costs 53.383 real_cost = -149.993 RAPTORESS_TS4-scwrl costs 40.329 real_cost = -152.222 RAPTORESS_TS4 costs 40.329 real_cost = -146.533 RAPTORESS_TS3-scwrl costs 51.700 real_cost = -122.730 RAPTORESS_TS3 costs 51.700 real_cost = -110.565 RAPTORESS_TS2-scwrl costs 46.207 real_cost = -128.306 RAPTORESS_TS2 costs 46.207 real_cost = -129.079 RAPTORESS_TS1-scwrl costs 54.291 real_cost = -122.736 RAPTORESS_TS1 costs 54.291 real_cost = -120.029 RAPTOR-ACE_TS5-scwrl costs 34.847 real_cost = -163.688 RAPTOR-ACE_TS5 costs 34.847 real_cost = -153.719 RAPTOR-ACE_TS4-scwrl costs 35.315 real_cost = -168.735 RAPTOR-ACE_TS4 costs 35.315 real_cost = -163.358 RAPTOR-ACE_TS3-scwrl costs 39.048 real_cost = -138.448 RAPTOR-ACE_TS3 costs 39.048 real_cost = -142.126 RAPTOR-ACE_TS2-scwrl costs 39.679 real_cost = -168.031 RAPTOR-ACE_TS2 costs 39.679 real_cost = -169.702 RAPTOR-ACE_TS1-scwrl costs 37.158 real_cost = -177.960 RAPTOR-ACE_TS1 costs 37.158 real_cost = -178.962 Pmodeller6_TS5-scwrl costs 36.597 real_cost = -167.408 Pmodeller6_TS5 costs 36.549 real_cost = -171.588 Pmodeller6_TS4-scwrl costs 41.612 real_cost = -120.963 Pmodeller6_TS4 costs 41.612 real_cost = -125.008 Pmodeller6_TS3-scwrl costs 37.123 real_cost = -178.968 Pmodeller6_TS3 costs 37.123 real_cost = -182.242 Pmodeller6_TS2-scwrl costs 38.619 real_cost = -123.645 Pmodeller6_TS2 costs 38.619 real_cost = -125.797 Pmodeller6_TS1-scwrl costs 32.189 real_cost = -159.062 Pmodeller6_TS1 costs 32.189 real_cost = -160.245 Phyre-2_TS5-scwrl costs 103.558 real_cost = 113.481 Phyre-2_TS5 costs 103.558 real_cost = 110.186 Phyre-2_TS4-scwrl costs 121.524 real_cost = 269.728 Phyre-2_TS4 costs 121.524 real_cost = 265.382 Phyre-2_TS3-scwrl costs 113.723 real_cost = 261.792 Phyre-2_TS3 costs 113.723 real_cost = 258.475 Phyre-2_TS2-scwrl costs 109.778 real_cost = 242.824 Phyre-2_TS2 costs 109.778 real_cost = 242.112 Phyre-2_TS1-scwrl costs 49.847 real_cost = -33.407 Phyre-2_TS1 costs 49.847 real_cost = -33.625 Phyre-1_TS1-scwrl costs 94.403 real_cost = 227.716 Phyre-1_TS1 costs 94.396 real_cost = 227.378 Pcons6_TS5-scwrl costs 30.739 real_cost = -128.279 Pcons6_TS5 costs 30.695 real_cost = -129.065 Pcons6_TS4-scwrl costs 33.370 real_cost = -147.955 Pcons6_TS4 costs 33.373 real_cost = -152.793 Pcons6_TS3-scwrl costs 37.267 real_cost = -157.379 Pcons6_TS3 costs 37.276 real_cost = -155.728 Pcons6_TS2-scwrl costs 32.851 real_cost = -179.038 Pcons6_TS2 costs 32.801 real_cost = -179.781 Pcons6_TS1-scwrl costs 34.905 real_cost = -168.919 Pcons6_TS1 costs 34.925 real_cost = -161.185 PROTINFO_TS5-scwrl costs 52.840 real_cost = -133.672 PROTINFO_TS5 costs 52.840 real_cost = -133.584 PROTINFO_TS4-scwrl costs 34.618 real_cost = -148.177 PROTINFO_TS4 costs 34.618 real_cost = -149.079 PROTINFO_TS3-scwrl costs 36.545 real_cost = -154.962 PROTINFO_TS3 costs 36.575 real_cost = -162.432 PROTINFO_TS2-scwrl costs 42.334 real_cost = -157.837 PROTINFO_TS2 costs 42.354 real_cost = -160.546 PROTINFO_TS1-scwrl costs 40.730 real_cost = -162.611 PROTINFO_TS1 costs 40.730 real_cost = -161.355 PROTINFO-AB_TS5-scwrl costs 39.922 real_cost = -143.928 PROTINFO-AB_TS5 costs 39.922 real_cost = -149.832 PROTINFO-AB_TS4-scwrl costs 37.077 real_cost = -143.743 PROTINFO-AB_TS4 costs 37.077 real_cost = -145.056 PROTINFO-AB_TS3-scwrl costs 42.446 real_cost = -156.382 PROTINFO-AB_TS3 costs 42.446 real_cost = -161.667 PROTINFO-AB_TS2-scwrl costs 42.539 real_cost = -173.912 PROTINFO-AB_TS2 costs 42.539 real_cost = -177.510 PROTINFO-AB_TS1-scwrl costs 36.579 real_cost = -169.641 PROTINFO-AB_TS1 costs 36.579 real_cost = -169.965 POMYSL_TS5-scwrl costs 161.032 real_cost = 308.047 POMYSL_TS5 costs 161.032 real_cost = 316.327 POMYSL_TS4-scwrl costs 141.742 real_cost = 334.815 POMYSL_TS4 costs 141.774 real_cost = 340.266 POMYSL_TS3-scwrl costs 147.835 real_cost = 307.878 POMYSL_TS3 costs 147.835 real_cost = 306.988 POMYSL_TS2-scwrl costs 148.081 real_cost = 274.382 POMYSL_TS2 costs 148.081 real_cost = 295.723 POMYSL_TS1-scwrl costs 168.451 real_cost = 306.859 POMYSL_TS1 costs 168.451 real_cost = 322.733 NN_PUT_lab_TS1-scwrl costs 48.754 real_cost = -136.763 NN_PUT_lab_TS1 costs 48.754 real_cost = -66.484 MetaTasser_TS5-scwrl costs 48.254 real_cost = -184.444 MetaTasser_TS5 costs 48.254 real_cost = -182.799 MetaTasser_TS4-scwrl costs 44.865 real_cost = -178.070 MetaTasser_TS4 costs 44.865 real_cost = -178.748 MetaTasser_TS3-scwrl costs 51.237 real_cost = -175.987 MetaTasser_TS3 costs 51.237 real_cost = -176.219 MetaTasser_TS2-scwrl costs 51.800 real_cost = -179.401 MetaTasser_TS2 costs 51.800 real_cost = -176.631 MetaTasser_TS1-scwrl costs 45.243 real_cost = -178.156 MetaTasser_TS1 costs 45.243 real_cost = -179.404 Ma-OPUS-server_TS5-scwrl costs 47.780 real_cost = -90.910 Ma-OPUS-server_TS5 costs 47.780 real_cost = -88.800 Ma-OPUS-server_TS4-scwrl costs 47.919 real_cost = -53.752 Ma-OPUS-server_TS4 costs 47.919 real_cost = -49.465 Ma-OPUS-server_TS3-scwrl costs 43.152 real_cost = -97.267 Ma-OPUS-server_TS3 costs 43.152 real_cost = -90.275 Ma-OPUS-server_TS2-scwrl costs 41.998 real_cost = -123.414 Ma-OPUS-server_TS2 costs 41.998 real_cost = -124.176 Ma-OPUS-server_TS1-scwrl costs 47.548 real_cost = -109.539 Ma-OPUS-server_TS1 costs 47.548 real_cost = -100.792 Ma-OPUS-server2_TS5-scwrl costs 51.237 real_cost = -89.279 Ma-OPUS-server2_TS5 costs 51.237 real_cost = -85.195 Ma-OPUS-server2_TS4-scwrl costs 43.710 real_cost = -97.176 Ma-OPUS-server2_TS4 costs 43.710 real_cost = -85.516 Ma-OPUS-server2_TS3-scwrl costs 50.331 real_cost = -52.722 Ma-OPUS-server2_TS3 costs 50.331 real_cost = -53.038 Ma-OPUS-server2_TS2-scwrl costs 47.465 real_cost = -67.495 Ma-OPUS-server2_TS2 costs 47.465 real_cost = -65.444 Ma-OPUS-server2_TS1-scwrl costs 37.601 real_cost = -143.839 Ma-OPUS-server2_TS1 costs 37.601 real_cost = -148.111 MIG_FROST_AL1-scwrl costs 97.299 real_cost = 404.118 MIG_FROST_AL1 costs 97.322 real_cost = 420.855 LOOPP_TS5-scwrl costs 39.050 real_cost = -84.571 LOOPP_TS5 costs 39.069 real_cost = -84.100 LOOPP_TS4-scwrl costs 43.918 real_cost = -20.503 LOOPP_TS4 costs 43.918 real_cost = -18.429 LOOPP_TS3-scwrl costs 36.015 real_cost = -69.815 LOOPP_TS3 costs 36.015 real_cost = -68.435 LOOPP_TS2-scwrl costs 40.940 real_cost = -63.227 LOOPP_TS2 costs 40.959 real_cost = -67.472 LOOPP_TS1-scwrl costs 33.898 real_cost = -77.875 LOOPP_TS1 costs 33.893 real_cost = -78.035 Huber-Torda-Server_TS5-scwrl costs 114.400 real_cost = 325.507 Huber-Torda-Server_TS5 costs 114.339 real_cost = 366.329 Huber-Torda-Server_TS4-scwrl costs 111.013 real_cost = 370.541 Huber-Torda-Server_TS4 costs 111.072 real_cost = 402.758 Huber-Torda-Server_TS3-scwrl costs 60.123 real_cost = 37.756 Huber-Torda-Server_TS3 costs 60.187 real_cost = 82.921 Huber-Torda-Server_TS2-scwrl costs 58.935 real_cost = 13.360 Huber-Torda-Server_TS2 costs 58.939 real_cost = 49.523 Huber-Torda-Server_TS1-scwrl costs 106.969 real_cost = 397.317 Huber-Torda-Server_TS1 costs 107.000 real_cost = 401.697 HHpred3_TS1-scwrl costs 36.504 real_cost = -126.217 HHpred3_TS1 costs 36.504 real_cost = -123.630 HHpred2_TS1-scwrl costs 36.504 real_cost = -126.217 HHpred2_TS1 costs 36.504 real_cost = -123.630 HHpred1_TS1-scwrl costs 40.246 real_cost = -106.688 HHpred1_TS1 costs 40.246 real_cost = -96.062 GeneSilicoMetaServer_TS5-scwrl costs 37.562 real_cost = -175.079 GeneSilicoMetaServer_TS5 costs 37.561 real_cost = -166.452 GeneSilicoMetaServer_TS4-scwrl costs 36.681 real_cost = -123.090 GeneSilicoMetaServer_TS4 costs 36.644 real_cost = -115.193 GeneSilicoMetaServer_TS3-scwrl costs 36.217 real_cost = -140.880 GeneSilicoMetaServer_TS3 costs 36.166 real_cost = -140.045 GeneSilicoMetaServer_TS2-scwrl costs 36.456 real_cost = -156.780 GeneSilicoMetaServer_TS2 costs 36.476 real_cost = -138.260 GeneSilicoMetaServer_TS1-scwrl costs 40.463 real_cost = -151.344 GeneSilicoMetaServer_TS1 costs 40.414 real_cost = -145.829 Frankenstein_TS5-scwrl costs 62.853 real_cost = 111.723 Frankenstein_TS5 costs 62.853 real_cost = 115.687 Frankenstein_TS4-scwrl costs 61.298 real_cost = 51.809 Frankenstein_TS4 costs 61.298 real_cost = 55.654 Frankenstein_TS3-scwrl costs 62.280 real_cost = 35.058 Frankenstein_TS3 costs 62.280 real_cost = 38.797 Frankenstein_TS2-scwrl costs 67.427 real_cost = 146.012 Frankenstein_TS2 costs 67.427 real_cost = 151.036 Frankenstein_TS1-scwrl costs 51.848 real_cost = 0.871 Frankenstein_TS1 costs 51.848 real_cost = 8.594 FUNCTION_TS5-scwrl costs 38.432 real_cost = -145.780 FUNCTION_TS5 costs 38.416 real_cost = -142.006 FUNCTION_TS4-scwrl costs 42.172 real_cost = -128.043 FUNCTION_TS4 costs 42.177 real_cost = -128.276 FUNCTION_TS3-scwrl costs 45.752 real_cost = -114.944 FUNCTION_TS3 costs 45.781 real_cost = -112.278 FUNCTION_TS2-scwrl costs 48.180 real_cost = -132.825 FUNCTION_TS2 costs 48.180 real_cost = -127.001 FUNCTION_TS1-scwrl costs 47.739 real_cost = -169.668 FUNCTION_TS1 costs 47.742 real_cost = -168.640 FUGUE_AL5-scwrl costs 58.951 real_cost = -37.528 FUGUE_AL5 costs 58.994 real_cost = 46.893 FUGUE_AL4-scwrl costs 44.397 real_cost = -144.503 FUGUE_AL4 costs 44.382 real_cost = -59.264 FUGUE_AL3-scwrl costs 44.344 real_cost = -141.762 FUGUE_AL3 costs 44.325 real_cost = -43.320 FUGUE_AL2-scwrl costs 52.572 real_cost = -95.459 FUGUE_AL2 costs 52.594 real_cost = -4.841 FUGUE_AL1-scwrl costs 93.721 real_cost = 151.236 FUGUE_AL1 costs 93.709 real_cost = 238.507 FUGMOD_TS5-scwrl costs 48.130 real_cost = -30.315 FUGMOD_TS5 costs 48.138 real_cost = -33.433 FUGMOD_TS4-scwrl costs 36.405 real_cost = -156.828 FUGMOD_TS4 costs 36.397 real_cost = -155.311 FUGMOD_TS3-scwrl costs 35.078 real_cost = -135.633 FUGMOD_TS3 costs 35.070 real_cost = -132.665 FUGMOD_TS2-scwrl costs 51.125 real_cost = -81.621 FUGMOD_TS2 costs 51.110 real_cost = -72.796 FUGMOD_TS1-scwrl costs 99.792 real_cost = 123.533 FUGMOD_TS1 costs 99.792 real_cost = 125.449 FPSOLVER-SERVER_TS5-scwrl costs 172.305 real_cost = 316.777 FPSOLVER-SERVER_TS5 costs 172.305 real_cost = 322.376 FPSOLVER-SERVER_TS4-scwrl costs 158.659 real_cost = 291.719 FPSOLVER-SERVER_TS4 costs 158.659 real_cost = 304.974 FPSOLVER-SERVER_TS3-scwrl costs 163.744 real_cost = 261.214 FPSOLVER-SERVER_TS3 costs 163.744 real_cost = 275.455 FPSOLVER-SERVER_TS2-scwrl costs 152.175 real_cost = 284.823 FPSOLVER-SERVER_TS2 costs 152.175 real_cost = 276.082 FPSOLVER-SERVER_TS1-scwrl costs 153.933 real_cost = 292.331 FPSOLVER-SERVER_TS1 costs 153.933 real_cost = 300.611 FORTE2_AL5-scwrl costs 46.509 real_cost = -136.151 FORTE2_AL5 costs 46.479 real_cost = -45.629 FORTE2_AL4-scwrl costs 47.980 real_cost = -85.180 FORTE2_AL4 costs 47.994 real_cost = 4.595 FORTE2_AL3-scwrl costs 40.789 real_cost = -121.839 FORTE2_AL3 costs 40.799 real_cost = -22.247 FORTE2_AL2-scwrl costs 50.552 real_cost = 22.776 FORTE2_AL1-scwrl costs 55.628 real_cost = -96.101 FORTE2_AL1 costs 55.650 real_cost = -5.298 FORTE1_AL5-scwrl costs 47.980 real_cost = -85.180 FORTE1_AL5 costs 47.994 real_cost = 4.595 FORTE1_AL4-scwrl costs 40.789 real_cost = -121.839 FORTE1_AL4 costs 40.799 real_cost = -22.247 FORTE1_AL3-scwrl costs 45.468 real_cost = -117.322 FORTE1_AL3 costs 45.434 real_cost = -33.232 FORTE1_AL2-scwrl costs 51.632 real_cost = 22.085 FORTE1_AL1-scwrl costs 55.628 real_cost = -96.101 FORTE1_AL1 costs 55.650 real_cost = -5.298 FOLDpro_TS5-scwrl costs 70.235 real_cost = 32.613 FOLDpro_TS5 costs 70.235 real_cost = 33.915 FOLDpro_TS4-scwrl costs 58.019 real_cost = 10.312 FOLDpro_TS4 costs 58.019 real_cost = 12.884 FOLDpro_TS3-scwrl costs 46.296 real_cost = -4.657 FOLDpro_TS3 costs 46.296 real_cost = 4.391 FOLDpro_TS2-scwrl costs 54.720 real_cost = -44.364 FOLDpro_TS2 costs 54.720 real_cost = -36.240 FOLDpro_TS1-scwrl costs 46.602 real_cost = -30.983 FOLDpro_TS1 costs 46.602 real_cost = -32.265 FAMS_TS5-scwrl costs 31.980 real_cost = -139.571 FAMS_TS5 costs 31.980 real_cost = -127.235 FAMS_TS4-scwrl costs 38.075 real_cost = -167.212 FAMS_TS4 costs 38.078 real_cost = -155.400 FAMS_TS3-scwrl costs 41.177 real_cost = -159.005 FAMS_TS3 costs 41.177 real_cost = -149.348 FAMS_TS2-scwrl costs 40.508 real_cost = -150.379 FAMS_TS2 costs 40.508 real_cost = -146.001 FAMS_TS1-scwrl costs 45.221 real_cost = -203.885 FAMS_TS1 costs 45.221 real_cost = -205.090 FAMSD_TS5-scwrl costs 59.648 real_cost = -43.492 FAMSD_TS5 costs 59.584 real_cost = -31.321 FAMSD_TS4-scwrl costs 41.723 real_cost = -33.220 FAMSD_TS4 costs 41.733 real_cost = -44.327 FAMSD_TS3-scwrl costs 48.452 real_cost = -30.930 FAMSD_TS3 costs 48.448 real_cost = -33.765 FAMSD_TS2-scwrl costs 38.075 real_cost = -167.212 FAMSD_TS2 costs 38.078 real_cost = -155.400 FAMSD_TS1-scwrl costs 45.373 real_cost = -148.086 FAMSD_TS1 costs 45.373 real_cost = -143.346 Distill_TS5-scwrl costs 241.386 real_cost = 408.261 Distill_TS4-scwrl costs 242.453 real_cost = 416.191 Distill_TS3-scwrl costs 238.439 real_cost = 411.047 Distill_TS2-scwrl costs 239.483 real_cost = 389.062 Distill_TS1-scwrl costs 240.728 real_cost = 422.279 CaspIta-FOX_TS5-scwrl costs 38.506 real_cost = -157.765 CaspIta-FOX_TS5 costs 38.520 real_cost = -153.282 CaspIta-FOX_TS4-scwrl costs 42.602 real_cost = -155.194 CaspIta-FOX_TS4 costs 42.615 real_cost = -150.415 CaspIta-FOX_TS3-scwrl costs 59.431 real_cost = 72.204 CaspIta-FOX_TS3 costs 59.448 real_cost = 63.841 CaspIta-FOX_TS2-scwrl costs 43.887 real_cost = -72.286 CaspIta-FOX_TS2 costs 43.899 real_cost = -72.423 CaspIta-FOX_TS1-scwrl costs 63.544 real_cost = 1.277 CaspIta-FOX_TS1 costs 63.599 real_cost = -2.214 CIRCLE_TS5-scwrl costs 31.980 real_cost = -139.571 CIRCLE_TS5 costs 31.980 real_cost = -127.235 CIRCLE_TS4-scwrl costs 41.177 real_cost = -159.005 CIRCLE_TS4 costs 41.177 real_cost = -149.348 CIRCLE_TS3-scwrl costs 40.508 real_cost = -150.379 CIRCLE_TS3 costs 40.508 real_cost = -146.001 CIRCLE_TS2-scwrl costs 44.409 real_cost = -140.998 CIRCLE_TS2 costs 44.409 real_cost = -140.785 CIRCLE_TS1-scwrl costs 43.415 real_cost = -143.998 CIRCLE_TS1 costs 43.415 real_cost = -144.564 Bilab-ENABLE_TS2-scwrl costs 63.327 real_cost = 110.127 Bilab-ENABLE_TS2 costs 63.327 real_cost = 110.127 Bilab-ENABLE_TS1-scwrl costs 40.300 real_cost = -71.009 Bilab-ENABLE_TS1 costs 40.300 real_cost = -71.009 BayesHH_TS1-scwrl costs 43.605 real_cost = -161.734 BayesHH_TS1 costs 43.605 real_cost = -154.420 ABIpro_TS5-scwrl costs 69.478 real_cost = 198.990 ABIpro_TS5 costs 69.478 real_cost = 198.990 ABIpro_TS4-scwrl costs 65.838 real_cost = 214.221 ABIpro_TS4 costs 65.838 real_cost = 218.119 ABIpro_TS3-scwrl costs 61.435 real_cost = 196.976 ABIpro_TS3 costs 61.435 real_cost = 196.976 ABIpro_TS2-scwrl costs 80.583 real_cost = 186.609 ABIpro_TS2 costs 80.583 real_cost = 185.862 ABIpro_TS1-scwrl costs 59.680 real_cost = 203.155 ABIpro_TS1 costs 59.680 real_cost = 203.155 3Dpro_TS5-scwrl costs 48.731 real_cost = -21.816 3Dpro_TS5 costs 48.731 real_cost = -20.444 3Dpro_TS4-scwrl costs 53.409 real_cost = -12.571 3Dpro_TS4 costs 53.409 real_cost = -10.915 3Dpro_TS3-scwrl costs 51.431 real_cost = -30.674 3Dpro_TS3 costs 51.431 real_cost = -30.525 3Dpro_TS2-scwrl costs 53.150 real_cost = -28.641 3Dpro_TS2 costs 53.150 real_cost = -25.229 3Dpro_TS1-scwrl costs 49.497 real_cost = -33.389 3Dpro_TS1 costs 49.497 real_cost = -30.766 3D-JIGSAW_TS5-scwrl costs 48.716 real_cost = -30.993 3D-JIGSAW_TS5 costs 48.719 real_cost = -37.681 3D-JIGSAW_TS4-scwrl costs 62.049 real_cost = 106.761 3D-JIGSAW_TS4 costs 62.022 real_cost = 98.492 3D-JIGSAW_TS3-scwrl costs 60.434 real_cost = -35.506 3D-JIGSAW_TS3 costs 60.438 real_cost = -33.225 3D-JIGSAW_TS2-scwrl costs 47.591 real_cost = -108.412 3D-JIGSAW_TS2 costs 47.558 real_cost = -109.200 3D-JIGSAW_TS1-scwrl costs 47.011 real_cost = -52.108 3D-JIGSAW_TS1 costs 47.029 real_cost = -45.734 3D-JIGSAW_RECOM_TS5-scwrl costs 47.264 real_cost = -41.505 3D-JIGSAW_RECOM_TS5 costs 47.244 real_cost = -37.365 3D-JIGSAW_RECOM_TS4-scwrl costs 45.848 real_cost = -34.251 3D-JIGSAW_RECOM_TS4 costs 45.829 real_cost = -32.510 3D-JIGSAW_RECOM_TS3-scwrl costs 50.119 real_cost = -71.388 3D-JIGSAW_RECOM_TS3 costs 50.100 real_cost = -77.968 3D-JIGSAW_RECOM_TS2-scwrl costs 44.165 real_cost = -67.626 3D-JIGSAW_RECOM_TS2 costs 44.146 real_cost = -72.961 3D-JIGSAW_RECOM_TS1-scwrl costs 50.203 real_cost = -73.779 3D-JIGSAW_RECOM_TS1 costs 50.183 real_cost = -83.447 3D-JIGSAW_POPULUS_TS5-scwrl costs 46.594 real_cost = -130.376 3D-JIGSAW_POPULUS_TS5 costs 46.561 real_cost = -132.076 3D-JIGSAW_POPULUS_TS4-scwrl costs 41.609 real_cost = 76.692 3D-JIGSAW_POPULUS_TS4 costs 41.594 real_cost = 74.892 3D-JIGSAW_POPULUS_TS3-scwrl costs 60.329 real_cost = -41.838 3D-JIGSAW_POPULUS_TS3 costs 60.333 real_cost = -42.638 3D-JIGSAW_POPULUS_TS2-scwrl costs 59.628 real_cost = -30.073 3D-JIGSAW_POPULUS_TS2 costs 59.628 real_cost = -30.073 3D-JIGSAW_POPULUS_TS1-scwrl costs 40.192 real_cost = -26.378 3D-JIGSAW_POPULUS_TS1 costs 40.175 real_cost = -28.477 T0385.try9-opt2.repack-nonPC.pdb.gz costs 55.674 real_cost = -13.561 T0385.try9-opt2.pdb.gz costs 55.674 real_cost = -14.810 T0385.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.386 real_cost = -19.856 T0385.try9-opt2.gromacs0.pdb.gz costs 52.386 real_cost = -15.833 T0385.try9-opt1.pdb.gz costs 56.636 real_cost = -15.591 T0385.try9-opt1-scwrl.pdb.gz costs 56.636 real_cost = -17.712 T0385.try8-opt2.repack-nonPC.pdb.gz costs 53.757 real_cost = -20.865 T0385.try8-opt2.pdb.gz costs 53.757 real_cost = -20.918 T0385.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.542 real_cost = -21.597 T0385.try8-opt2.gromacs0.pdb.gz costs 44.542 real_cost = -21.496 T0385.try8-opt1.pdb.gz costs 49.295 real_cost = -21.677 T0385.try8-opt1-scwrl.pdb.gz costs 49.295 real_cost = -21.093 T0385.try7-opt2.repack-nonPC.pdb.gz costs 54.136 real_cost = -12.029 T0385.try7-opt2.pdb.gz costs 54.136 real_cost = -11.591 T0385.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.419 real_cost = -11.048 T0385.try7-opt2.gromacs0.pdb.gz costs 52.419 real_cost = -13.210 T0385.try7-opt1.pdb.gz costs 54.462 real_cost = -14.482 T0385.try7-opt1-scwrl.pdb.gz costs 54.462 real_cost = -13.043 T0385.try6-opt2.repack-nonPC.pdb.gz costs 57.334 real_cost = -4.987 T0385.try6-opt2.pdb.gz costs 57.334 real_cost = -5.079 T0385.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.487 real_cost = -6.515 T0385.try6-opt2.gromacs0.pdb.gz costs 55.487 real_cost = -6.219 T0385.try6-opt1.pdb.gz costs 54.058 real_cost = -5.210 T0385.try6-opt1-scwrl.pdb.gz costs 54.058 real_cost = -5.251 T0385.try5-opt2.repack-nonPC.pdb.gz costs 36.716 real_cost = -189.753 T0385.try5-opt2.pdb.gz costs 36.716 real_cost = -189.845 T0385.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 33.557 real_cost = -190.776 T0385.try5-opt2.gromacs0.pdb.gz costs 33.557 real_cost = -188.521 T0385.try5-opt1.pdb.gz costs 36.940 real_cost = -189.034 T0385.try5-opt1-scwrl.pdb.gz costs 36.940 real_cost = -189.171 T0385.try41-opt2.repack-nonPC.pdb.gz costs 56.734 real_cost = -22.503 T0385.try41-opt2.pdb.gz costs 56.734 real_cost = -23.185 T0385.try41-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.998 real_cost = -22.213 T0385.try41-opt2.gromacs0.pdb.gz costs 49.998 real_cost = -23.440 T0385.try41-opt1.pdb.gz costs 56.158 real_cost = -22.138 T0385.try41-opt1-scwrl.pdb.gz costs 56.158 real_cost = -22.793 T0385.try40-opt2.repack-nonPC.pdb.gz costs 56.091 real_cost = -5.432 T0385.try40-opt2.pdb.gz costs 56.091 real_cost = -4.758 T0385.try40-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.610 real_cost = -4.930 T0385.try40-opt2.gromacs0.pdb.gz costs 55.610 real_cost = -5.733 T0385.try40-opt1.pdb.gz costs 56.630 real_cost = -5.672 T0385.try40-opt1-scwrl.pdb.gz costs 56.630 real_cost = -5.776 T0385.try4-opt2.repack-nonPC.pdb.gz costs 41.614 real_cost = 91.766 T0385.try4-opt2.pdb.gz costs 41.614 real_cost = 91.771 T0385.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 38.538 real_cost = 91.845 T0385.try4-opt2.gromacs0.pdb.gz costs 38.538 real_cost = 91.478 T0385.try4-opt1.pdb.gz costs 39.926 real_cost = 91.642 T0385.try4-opt1-scwrl.pdb.gz costs 39.926 real_cost = 90.246 T0385.try39-opt2.repack-nonPC.pdb.gz costs 44.958 real_cost = -183.916 T0385.try39-opt2.pdb.gz costs 44.958 real_cost = -185.533 T0385.try39-opt2.gromacs0.repack-nonPC.pdb.gz costs 35.945 real_cost = -182.855 T0385.try39-opt2.gromacs0.pdb.gz costs 35.945 real_cost = -183.890 T0385.try39-opt1.pdb.gz costs 43.742 real_cost = -183.150 T0385.try39-opt1-scwrl.pdb.gz costs 43.742 real_cost = -181.884 T0385.try38-opt2.repack-nonPC.pdb.gz costs 57.908 real_cost = -17.004 T0385.try38-opt2.pdb.gz costs 57.908 real_cost = -17.116 T0385.try38-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.256 real_cost = -20.589 T0385.try38-opt2.gromacs0.pdb.gz costs 52.256 real_cost = -19.357 T0385.try38-opt1.pdb.gz costs 58.056 real_cost = -17.454 T0385.try38-opt1-scwrl.pdb.gz costs 58.056 real_cost = -18.770 T0385.try37-opt2.repack-nonPC.pdb.gz costs 43.064 real_cost = -165.225 T0385.try37-opt2.pdb.gz costs 43.064 real_cost = -164.784 T0385.try37-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.098 real_cost = -168.291 T0385.try37-opt2.gromacs0.pdb.gz costs 37.098 real_cost = -165.231 T0385.try37-opt1.pdb.gz costs 41.106 real_cost = -164.073 T0385.try37-opt1-scwrl.pdb.gz costs 41.106 real_cost = -166.517 T0385.try36-opt2.repack-nonPC.pdb.gz costs 46.092 real_cost = -166.488 T0385.try36-opt2.pdb.gz costs 46.092 real_cost = -166.846 T0385.try36-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.390 real_cost = -161.003 T0385.try36-opt2.gromacs0.pdb.gz costs 37.390 real_cost = -162.982 T0385.try36-opt1.pdb.gz costs 41.872 real_cost = -171.725 T0385.try36-opt1-scwrl.pdb.gz costs 41.872 real_cost = -172.101 T0385.try35-opt2.repack-nonPC.pdb.gz costs 47.448 real_cost = -150.991 T0385.try35-opt2.pdb.gz costs 47.448 real_cost = -148.224 T0385.try35-opt2.gromacs0.repack-nonPC.pdb.gz costs 38.117 real_cost = -148.486 T0385.try35-opt2.gromacs0.pdb.gz costs 38.117 real_cost = -151.005 T0385.try35-opt1.pdb.gz costs 45.888 real_cost = -145.133 T0385.try35-opt1-scwrl.pdb.gz costs 45.888 real_cost = -144.150 T0385.try34-opt2.repack-nonPC.pdb.gz costs 58.056 real_cost = -17.770 T0385.try34-opt2.pdb.gz costs 58.056 real_cost = -17.893 T0385.try34-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.752 real_cost = -15.264 T0385.try34-opt2.gromacs0.pdb.gz costs 52.752 real_cost = -17.023 T0385.try34-opt1.pdb.gz costs 58.778 real_cost = -14.908 T0385.try34-opt1-scwrl.pdb.gz costs 58.778 real_cost = -15.219 T0385.try33-opt2.repack-nonPC.pdb.gz costs 47.544 real_cost = -185.468 T0385.try33-opt2.pdb.gz costs 47.544 real_cost = -181.801 T0385.try33-opt2.gromacs0.repack-nonPC.pdb.gz costs 36.338 real_cost = -180.803 T0385.try33-opt2.gromacs0.pdb.gz costs 36.338 real_cost = -178.947 T0385.try33-opt1.pdb.gz costs 46.526 real_cost = -187.618 T0385.try33-opt1-scwrl.pdb.gz costs 46.526 real_cost = -186.176 T0385.try32-opt2.repack-nonPC.pdb.gz costs 43.548 real_cost = -163.802 T0385.try32-opt2.pdb.gz costs 43.548 real_cost = -163.113 T0385.try32-opt2.gromacs0.repack-nonPC.pdb.gz costs 35.030 real_cost = -168.416 T0385.try32-opt2.gromacs0.pdb.gz costs 35.030 real_cost = -166.028 T0385.try32-opt1.pdb.gz costs 42.944 real_cost = -163.593 T0385.try32-opt1-scwrl.pdb.gz costs 42.944 real_cost = -164.261 T0385.try31-opt2.repack-nonPC.pdb.gz costs 42.020 real_cost = -194.880 T0385.try31-opt2.pdb.gz costs 42.020 real_cost = -192.376 T0385.try31-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.067 real_cost = -193.442 T0385.try31-opt2.gromacs0.pdb.gz costs 37.067 real_cost = -194.607 T0385.try31-opt1.pdb.gz costs 39.419 real_cost = -196.705 T0385.try31-opt1-scwrl.pdb.gz costs 39.419 real_cost = -193.795 T0385.try30-opt2.repack-nonPC.pdb.gz costs 44.500 real_cost = -161.319 T0385.try30-opt2.pdb.gz costs 44.500 real_cost = -163.931 T0385.try30-opt2.gromacs0.repack-nonPC.pdb.gz costs 36.491 real_cost = -169.950 T0385.try30-opt2.gromacs0.pdb.gz costs 36.491 real_cost = -168.916 T0385.try30-opt1.pdb.gz costs 39.368 real_cost = -160.272 T0385.try30-opt1-scwrl.pdb.gz costs 39.368 real_cost = -162.256 T0385.try3-opt2.repack-nonPC.pdb.gz costs 54.864 real_cost = -14.152 T0385.try3-opt2.pdb.gz costs 54.864 real_cost = -14.774 T0385.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.846 real_cost = -10.680 T0385.try3-opt2.gromacs0.pdb.gz costs 50.846 real_cost = -12.272 T0385.try3-opt1.pdb.gz costs 53.264 real_cost = -13.259 T0385.try3-opt1-scwrl.pdb.gz costs 53.264 real_cost = -12.328 T0385.try29-opt2.repack-nonPC.pdb.gz costs 44.409 real_cost = -139.023 T0385.try29-opt2.pdb.gz costs 44.409 real_cost = -140.095 T0385.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 35.571 real_cost = -142.506 T0385.try29-opt2.gromacs0.pdb.gz costs 35.571 real_cost = -139.987 T0385.try29-opt1.pdb.gz costs 44.538 real_cost = -140.433 T0385.try29-opt1-scwrl.pdb.gz costs 44.538 real_cost = -139.644 T0385.try28-opt2.repack-nonPC.pdb.gz costs 51.249 real_cost = -1.858 T0385.try28-opt2.pdb.gz costs 51.249 real_cost = -1.677 T0385.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.584 real_cost = -1.631 T0385.try28-opt2.gromacs0.pdb.gz costs 50.584 real_cost = -1.700 T0385.try28-opt1.pdb.gz costs 52.537 real_cost = 1.012 T0385.try28-opt1-scwrl.pdb.gz costs 52.537 real_cost = -2.438 T0385.try27-opt2.repack-nonPC.pdb.gz costs 45.687 real_cost = -167.479 T0385.try27-opt2.pdb.gz costs 45.687 real_cost = -170.777 T0385.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 41.143 real_cost = -167.712 T0385.try27-opt2.gromacs0.pdb.gz costs 41.143 real_cost = -168.037 T0385.try27-opt1.pdb.gz costs 45.205 real_cost = -170.182 T0385.try27-opt1-scwrl.pdb.gz costs 45.205 real_cost = -168.812 T0385.try26-opt2.repack-nonPC.pdb.gz costs 39.951 real_cost = -134.040 T0385.try26-opt2.pdb.gz costs 39.951 real_cost = -133.201 T0385.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.529 real_cost = -130.474 T0385.try26-opt2.gromacs0.pdb.gz costs 39.529 real_cost = -130.525 T0385.try26-opt1.pdb.gz costs 38.717 real_cost = -133.084 T0385.try26-opt1-scwrl.pdb.gz costs 38.717 real_cost = -132.569 T0385.try25-opt2.repack-nonPC.pdb.gz costs 39.144 real_cost = -136.637 T0385.try25-opt2.pdb.gz costs 39.144 real_cost = -132.255 T0385.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.657 real_cost = -131.623 T0385.try25-opt2.gromacs0.pdb.gz costs 39.657 real_cost = -130.169 T0385.try25-opt1.pdb.gz costs 38.319 real_cost = -137.428 T0385.try25-opt1-scwrl.pdb.gz costs 38.319 real_cost = -138.489 T0385.try24-opt2.repack-nonPC.pdb.gz costs 45.743 real_cost = -170.621 T0385.try24-opt2.pdb.gz costs 45.743 real_cost = -172.247 T0385.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.898 real_cost = -171.861 T0385.try24-opt2.gromacs0.pdb.gz costs 40.898 real_cost = -170.079 T0385.try24-opt1.pdb.gz costs 44.847 real_cost = -168.694 T0385.try24-opt1-scwrl.pdb.gz costs 44.847 real_cost = -168.649 T0385.try23-opt2.repack-nonPC.pdb.gz costs 53.567 real_cost = 0.265 T0385.try23-opt2.pdb.gz costs 53.567 real_cost = 0.714 T0385.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.592 real_cost = 4.242 T0385.try23-opt2.gromacs0.pdb.gz costs 51.592 real_cost = 3.001 T0385.try23-opt1.pdb.gz costs 51.760 real_cost = -0.351 T0385.try23-opt1-scwrl.pdb.gz costs 51.760 real_cost = 0.128 T0385.try22-opt2.repack-nonPC.pdb.gz costs 53.538 real_cost = -83.279 T0385.try22-opt2.pdb.gz costs 53.538 real_cost = -84.799 T0385.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.464 real_cost = -87.874 T0385.try22-opt2.gromacs0.pdb.gz costs 48.464 real_cost = -85.542 T0385.try22-opt1.pdb.gz costs 50.815 real_cost = -87.746 T0385.try22-opt1-scwrl.pdb.gz costs 50.815 real_cost = -87.123 T0385.try21-opt2.repack-nonPC.pdb.gz costs 43.673 real_cost = -128.429 T0385.try21-opt2.pdb.gz costs 43.673 real_cost = -129.534 T0385.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.354 real_cost = -134.110 T0385.try21-opt2.gromacs0.pdb.gz costs 40.354 real_cost = -132.363 T0385.try21-opt1.pdb.gz costs 41.471 real_cost = -130.436 T0385.try21-opt1-scwrl.pdb.gz costs 41.471 real_cost = -132.676 T0385.try20-opt2.repack-nonPC.pdb.gz costs 42.988 real_cost = -171.963 T0385.try20-opt2.pdb.gz costs 42.988 real_cost = -171.146 T0385.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.853 real_cost = -172.699 T0385.try20-opt2.gromacs0.pdb.gz costs 40.853 real_cost = -168.960 T0385.try20-opt1.pdb.gz costs 44.047 real_cost = -173.833 T0385.try20-opt1-scwrl.pdb.gz costs 44.047 real_cost = -175.139 T0385.try2-opt2.repack-nonPC.pdb.gz costs 58.272 real_cost = -26.024 T0385.try2-opt2.pdb.gz costs 58.272 real_cost = -26.666 T0385.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.796 real_cost = -23.995 T0385.try2-opt2.gromacs0.pdb.gz costs 50.796 real_cost = -27.225 T0385.try2-opt1.pdb.gz costs 56.435 real_cost = -24.086 T0385.try2-opt1-scwrl.pdb.gz costs 56.435 real_cost = -24.113 T0385.try19-opt2.repack-nonPC.pdb.gz costs 44.112 real_cost = -175.824 T0385.try19-opt2.pdb.gz costs 44.112 real_cost = -171.967 T0385.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 34.083 real_cost = -176.591 T0385.try19-opt2.gromacs0.pdb.gz costs 34.083 real_cost = -170.868 T0385.try19-opt1.pdb.gz costs 43.298 real_cost = -170.123 T0385.try19-opt1-scwrl.pdb.gz costs 43.298 real_cost = -174.558 T0385.try18-opt2.repack-nonPC.pdb.gz costs 56.044 real_cost = -37.736 T0385.try18-opt2.pdb.gz costs 56.044 real_cost = -43.526 T0385.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.396 real_cost = -31.466 T0385.try18-opt2.gromacs0.pdb.gz costs 46.396 real_cost = -35.463 T0385.try18-opt1.pdb.gz costs 52.614 real_cost = -39.518 T0385.try18-opt1-scwrl.pdb.gz costs 52.614 real_cost = -36.511 T0385.try17-opt2.repack-nonPC.pdb.gz costs 51.429 real_cost = -113.579 T0385.try17-opt2.pdb.gz costs 51.429 real_cost = -114.471 T0385.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.457 real_cost = -116.350 T0385.try17-opt2.gromacs0.pdb.gz costs 44.457 real_cost = -114.049 T0385.try17-opt1.pdb.gz costs 49.521 real_cost = -130.329 T0385.try17-opt1-scwrl.pdb.gz costs 49.521 real_cost = -129.487 T0385.try16-opt2.repack-nonPC.pdb.gz costs 60.116 real_cost = -75.048 T0385.try16-opt2.pdb.gz costs 60.116 real_cost = -76.123 T0385.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.922 real_cost = -79.312 T0385.try16-opt2.gromacs0.pdb.gz costs 50.922 real_cost = -78.470 T0385.try16-opt1.pdb.gz costs 56.555 real_cost = -76.453 T0385.try16-opt1-scwrl.pdb.gz costs 56.555 real_cost = -77.929 T0385.try15-opt2.repack-nonPC.pdb.gz costs 56.727 real_cost = -13.493 T0385.try15-opt2.pdb.gz costs 56.727 real_cost = -17.584 T0385.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.695 real_cost = -15.942 T0385.try15-opt2.gromacs0.pdb.gz costs 48.695 real_cost = -16.552 T0385.try15-opt1.pdb.gz costs 53.951 real_cost = -19.046 T0385.try15-opt1-scwrl.pdb.gz costs 53.951 real_cost = -21.255 T0385.try14-opt2.repack-nonPC.pdb.gz costs 39.954 real_cost = -122.308 T0385.try14-opt2.pdb.gz costs 39.954 real_cost = -121.525 T0385.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 35.427 real_cost = -118.663 T0385.try14-opt2.gromacs0.pdb.gz costs 35.427 real_cost = -118.016 T0385.try14-opt1.pdb.gz costs 36.746 real_cost = -119.657 T0385.try14-opt1-scwrl.pdb.gz costs 36.746 real_cost = -120.859 T0385.try13-opt2.repack-nonPC.pdb.gz costs 47.509 real_cost = -175.278 T0385.try13-opt2.pdb.gz costs 47.509 real_cost = -179.082 T0385.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 36.875 real_cost = -173.820 T0385.try13-opt2.gromacs0.pdb.gz costs 36.875 real_cost = -178.142 T0385.try13-opt1.pdb.gz costs 43.270 real_cost = -177.264 T0385.try13-opt1-scwrl.pdb.gz costs 43.270 real_cost = -178.664 T0385.try12-opt2.repack-nonPC.pdb.gz costs 45.525 real_cost = -169.463 T0385.try12-opt2.pdb.gz costs 45.525 real_cost = -170.857 T0385.try12-opt2.gromacs0.pdb.gz costs 35.345 real_cost = -165.590 T0385.try12-opt1.pdb.gz costs 43.253 real_cost = -169.443 T0385.try12-opt1-scwrl.pdb.gz costs 43.253 real_cost = -170.494 T0385.try11-opt2.pdb.gz costs 47.872 real_cost = -76.064 T0385.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 35.345 real_cost = -169.824 T0385.try11-opt2.gromacs0.pdb.gz costs 40.760 real_cost = -76.617 T0385.try11-opt1.pdb.gz costs 44.823 real_cost = -74.436 T0385.try11-opt1-scwrl.pdb.gz costs 44.823 real_cost = -72.379 T0385.try10-opt2.repack-nonPC.pdb.gz costs 49.986 real_cost = 71.046 T0385.try10-opt2.pdb.gz costs 49.986 real_cost = 70.219 T0385.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.753 real_cost = 66.582 T0385.try10-opt2.gromacs0.pdb.gz costs 39.753 real_cost = 67.735 T0385.try10-opt1.pdb.gz costs 45.702 real_cost = 68.386 T0385.try10-opt1-scwrl.pdb.gz costs 45.702 real_cost = 68.758 T0385.try1-opt2.repack-nonPC.pdb.gz costs 55.308 real_cost = 19.601 T0385.try1-opt2.pdb.gz costs 55.308 real_cost = 18.700 T0385.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.504 real_cost = 22.069 T0385.try1-opt2.gromacs0.pdb.gz costs 40.504 real_cost = 20.934 T0385.try1-opt1.pdb.gz costs 48.297 real_cost = 18.117 T0385.try1-opt1-scwrl.pdb.gz costs 48.297 real_cost = 19.451 ../model5.ts-submitted costs 47.872 real_cost = -76.079 ../model4.ts-submitted costs 44.958 real_cost = -185.442 ../model3.ts-submitted costs 39.657 real_cost = -131.644 ../model2.ts-submitted costs 57.908 real_cost = -17.121 ../model1.ts-submitted costs 43.064 real_cost = -164.796 align5 costs 59.359 real_cost = 19.898 align4 costs 48.554 real_cost = -29.923 align3 costs 50.613 real_cost = -80.261 align2 costs 44.427 real_cost = -137.487 align1 costs 51.003 real_cost = -47.200 T0385.try1-opt2.pdb costs 55.308 real_cost = 18.700 model5-scwrl costs 47.872 real_cost = -76.758 model5.ts-submitted costs 47.872 real_cost = -76.079 model4-scwrl costs 44.958 real_cost = -183.023 model4.ts-submitted costs 44.958 real_cost = -185.442 model3-scwrl costs 39.657 real_cost = -130.192 model3.ts-submitted costs 39.657 real_cost = -131.644 model2-scwrl costs 57.908 real_cost = -17.874 model2.ts-submitted costs 57.908 real_cost = -17.121 model1-scwrl costs 43.064 real_cost = -164.794 model1.ts-submitted costs 43.064 real_cost = -164.796 2ib0A costs 27.574 real_cost = -866.800 # command:CPU_time= 1684.889 sec, elapsed time= 2158.432 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/T0385'