make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0288' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0288.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/T0288.} ;\ 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/T0288/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2gzvA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182772687 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.883 sec, elapsed time= 6.935 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= 6.968 sec, elapsed time= 7.038 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0288 numbered 1 through 93 Created new target T0288 from T0288.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2gzvA expands to /projects/compbio/data/pdb/2gzv.pdb.gz 2gzvA:Skipped atom 3, because occupancy 0.5 <= existing 0.500 in 2gzvA Skipped atom 7, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 9, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 12, because occupancy 0.200 <= existing 0.800 in 2gzvA Skipped atom 16, because occupancy 0.200 <= existing 0.800 in 2gzvA Skipped atom 18, because occupancy 0.200 <= existing 0.800 in 2gzvA Skipped atom 20, because occupancy 0.200 <= existing 0.800 in 2gzvA Skipped atom 22, because occupancy 0.200 <= existing 0.800 in 2gzvA Skipped atom 32, because occupancy 0.400 <= existing 0.600 in 2gzvA Skipped atom 36, because occupancy 0.400 <= existing 0.600 in 2gzvA Skipped atom 38, because occupancy 0.400 <= existing 0.600 in 2gzvA Skipped atom 40, because occupancy 0.400 <= existing 0.600 in 2gzvA Skipped atom 78, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 82, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 84, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 86, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 88, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 90, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 157, because occupancy 0.400 <= existing 0.600 in 2gzvA Skipped atom 161, because occupancy 0.400 <= existing 0.600 in 2gzvA Skipped atom 163, because occupancy 0.400 <= existing 0.600 in 2gzvA Skipped atom 166, because occupancy 0.340 <= existing 0.660 in 2gzvA Skipped atom 170, because occupancy 0.340 <= existing 0.660 in 2gzvA Skipped atom 172, because occupancy 0.340 <= existing 0.660 in 2gzvA Skipped atom 174, because occupancy 0.340 <= existing 0.660 in 2gzvA Skipped atom 176, because occupancy 0.340 <= existing 0.660 in 2gzvA Skipped atom 222, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 226, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 228, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 230, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 232, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 234, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 236, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 238, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 240, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 292, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 294, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 296, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 298, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 300, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 302, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 304, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 306, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 308, because occupancy 0.500 <= existing 0.500 in 2gzvA Skipped atom 454, because occupancy 0.300 <= existing 0.700 in 2gzvA Skipped atom 458, because occupancy 0.300 <= existing 0.700 in 2gzvA Skipped atom 460, because occupancy 0.300 <= existing 0.700 in 2gzvA Skipped atom 462, because occupancy 0.300 <= existing 0.700 in 2gzvA Skipped atom 464, because occupancy 0.300 <= existing 0.700 in 2gzvA Skipped atom 562, because occupancy 0.300 <= existing 0.700 in 2gzvA Skipped atom 566, because occupancy 0.300 <= existing 0.700 in 2gzvA Skipped atom 568, because occupancy 0.300 <= existing 0.700 in 2gzvA Skipped atom 570, because occupancy 0.300 <= existing 0.700 in 2gzvA Skipped atom 572, because occupancy 0.300 <= existing 0.700 in 2gzvA Skipped atom 574, because occupancy 0.300 <= existing 0.700 in 2gzvA Read 91 residues and 667 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 12.209 sec, elapsed time= 13.089 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -79.494 # GDT_score(maxd=8.000,maxw=2.900)= -84.437 # GDT_score(maxd=8.000,maxw=3.200)= -80.644 # GDT_score(maxd=8.000,maxw=3.500)= -76.836 # GDT_score(maxd=10.000,maxw=3.800)= -79.053 # GDT_score(maxd=10.000,maxw=4.000)= -76.663 # GDT_score(maxd=10.000,maxw=4.200)= -74.290 # GDT_score(maxd=12.000,maxw=4.300)= -77.674 # GDT_score(maxd=12.000,maxw=4.500)= -75.386 # GDT_score(maxd=12.000,maxw=4.700)= -73.160 # GDT_score(maxd=14.000,maxw=5.200)= -71.425 # GDT_score(maxd=14.000,maxw=5.500)= -68.283 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0288.model1-real.pdb for output Error: Couldn't open file T0288.model1-real.pdb for output superimposing iter= 0 total_weight= 1010.000 rmsd (weighted)= 3.091 (unweighted)= 8.754 superimposing iter= 1 total_weight= 3025.540 rmsd (weighted)= 1.265 (unweighted)= 8.692 superimposing iter= 2 total_weight= 1331.652 rmsd (weighted)= 0.869 (unweighted)= 8.690 superimposing iter= 3 total_weight= 814.541 rmsd (weighted)= 0.773 (unweighted)= 8.690 superimposing iter= 4 total_weight= 700.222 rmsd (weighted)= 0.744 (unweighted)= 8.690 superimposing iter= 5 total_weight= 670.165 rmsd (weighted)= 0.732 (unweighted)= 8.689 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N SER A 1 29.252 18.585 24.439 1.00 0.00 ATOM 2 CA SER A 1 29.358 18.242 25.891 1.00 0.00 ATOM 3 CB SER A 1 27.969 18.275 26.525 1.00 0.00 ATOM 4 OG SER A 1 27.196 17.205 25.997 1.00 0.00 ATOM 5 O SER A 1 29.908 16.038 25.130 1.00 0.00 ATOM 6 C SER A 1 29.927 16.834 26.062 1.00 0.00 ATOM 7 N MET A 2 30.324 16.510 27.292 1.00 0.00 ATOM 8 CA MET A 2 30.875 15.188 27.579 1.00 0.00 ATOM 9 CB MET A 2 31.327 15.075 29.044 1.00 0.00 ATOM 10 CG MET A 2 32.154 13.814 29.350 1.00 0.00 ATOM 11 SD MET A 2 33.588 13.601 28.268 1.00 0.00 ATOM 12 CE MET A 2 34.118 15.324 28.187 1.00 0.00 ATOM 13 O MET A 2 30.322 12.863 27.456 1.00 0.00 ATOM 14 C MET A 2 29.912 14.022 27.398 1.00 0.00 ATOM 15 N VAL A 3 28.607 14.326 27.351 1.00 0.00 ATOM 16 CA VAL A 3 27.575 13.349 27.160 1.00 0.00 ATOM 17 CB VAL A 3 26.443 13.374 28.202 1.00 0.00 ATOM 18 CG1 VAL A 3 26.985 13.046 29.586 1.00 0.00 ATOM 19 CG2 VAL A 3 25.797 14.750 28.254 1.00 0.00 ATOM 20 O VAL A 3 27.074 14.659 25.252 1.00 0.00 ATOM 21 C VAL A 3 26.831 13.607 25.831 1.00 0.00 ATOM 22 N PRO A 4 26.106 12.625 25.385 1.00 0.00 ATOM 23 CA PRO A 4 25.366 12.785 24.133 1.00 0.00 ATOM 24 CB PRO A 4 24.564 11.485 24.042 1.00 0.00 ATOM 25 CG PRO A 4 25.451 10.497 24.694 1.00 0.00 ATOM 26 CD PRO A 4 25.934 11.257 25.908 1.00 0.00 ATOM 27 O PRO A 4 23.562 13.997 25.153 1.00 0.00 ATOM 28 C PRO A 4 24.387 13.948 24.232 1.00 0.00 ATOM 29 N GLY A 5 24.462 14.867 23.273 1.00 0.00 ATOM 30 CA GLY A 5 23.588 16.033 23.265 1.00 0.00 ATOM 31 O GLY A 5 23.208 15.893 20.898 1.00 0.00 ATOM 32 C GLY A 5 22.732 16.151 22.007 1.00 0.00 ATOM 33 N LYS A 6 21.544 16.720 22.164 1.00 0.00 ATOM 34 CA LYS A 6 20.638 16.908 21.039 1.00 0.00 ATOM 35 CB LYS A 6 19.252 16.383 21.417 1.00 0.00 ATOM 36 CG LYS A 6 18.244 16.420 20.281 1.00 0.00 ATOM 37 CD LYS A 6 16.895 15.880 20.723 1.00 0.00 ATOM 38 CE LYS A 6 15.891 15.890 19.577 1.00 0.00 ATOM 39 NZ LYS A 6 14.611 15.232 19.955 1.00 0.00 ATOM 40 O LYS A 6 20.143 19.193 21.540 1.00 0.00 ATOM 41 C LYS A 6 20.517 18.385 20.693 1.00 0.00 ATOM 42 N VAL A 7 20.789 18.725 19.439 1.00 0.00 ATOM 43 CA VAL A 7 20.724 20.112 18.991 1.00 0.00 ATOM 44 CB VAL A 7 22.156 20.776 18.909 1.00 0.00 ATOM 45 CG1 VAL A 7 22.758 20.932 20.290 1.00 0.00 ATOM 46 CG2 VAL A 7 23.062 19.927 17.995 1.00 0.00 ATOM 47 O VAL A 7 20.125 19.477 16.763 1.00 0.00 ATOM 48 C VAL A 7 19.917 20.237 17.709 1.00 0.00 ATOM 49 N THR A 8 19.004 21.198 17.673 1.00 0.00 ATOM 50 CA THR A 8 18.201 21.414 16.481 1.00 0.00 ATOM 51 CB THR A 8 16.727 21.701 16.821 1.00 0.00 ATOM 52 CG2 THR A 8 15.926 21.952 15.553 1.00 0.00 ATOM 53 OG1 THR A 8 16.166 20.576 17.510 1.00 0.00 ATOM 54 O THR A 8 18.909 23.698 16.242 1.00 0.00 ATOM 55 C THR A 8 18.779 22.595 15.708 1.00 0.00 ATOM 56 N LEU A 9 19.137 22.355 14.447 1.00 0.00 ATOM 57 CA LEU A 9 19.680 23.415 13.611 1.00 0.00 ATOM 58 CB LEU A 9 20.959 22.934 12.961 1.00 0.00 ATOM 59 CG LEU A 9 21.611 23.816 11.912 1.00 0.00 ATOM 60 CD1 LEU A 9 22.021 25.181 12.453 1.00 0.00 ATOM 61 CD2 LEU A 9 22.813 23.103 11.312 1.00 0.00 ATOM 62 O LEU A 9 18.212 22.902 11.785 1.00 0.00 ATOM 63 C LEU A 9 18.644 23.782 12.556 1.00 0.00 ATOM 64 N GLN A 10 18.293 25.064 12.472 1.00 0.00 ATOM 65 CA GLN A 10 17.322 25.510 11.503 1.00 0.00 ATOM 66 CB GLN A 10 16.245 26.356 12.184 1.00 0.00 ATOM 67 CG GLN A 10 15.152 26.839 11.245 1.00 0.00 ATOM 68 CD GLN A 10 14.102 27.674 11.953 1.00 0.00 ATOM 69 OE1 GLN A 10 14.237 27.987 13.134 1.00 0.00 ATOM 70 NE2 GLN A 10 13.047 28.036 11.230 1.00 0.00 ATOM 71 O GLN A 10 18.735 27.306 10.786 1.00 0.00 ATOM 72 C GLN A 10 18.094 26.306 10.465 1.00 0.00 ATOM 73 N LYS A 11 18.025 25.857 9.220 1.00 0.00 ATOM 74 CA LYS A 11 18.767 26.505 8.152 1.00 0.00 ATOM 75 CB LYS A 11 19.931 25.653 7.643 1.00 0.00 ATOM 76 CG LYS A 11 19.523 24.273 7.154 1.00 0.00 ATOM 77 CD LYS A 11 20.720 23.498 6.628 1.00 0.00 ATOM 78 CE LYS A 11 20.308 22.126 6.120 1.00 0.00 ATOM 79 NZ LYS A 11 21.473 21.346 5.621 1.00 0.00 ATOM 80 O LYS A 11 17.026 26.056 6.560 1.00 0.00 ATOM 81 C LYS A 11 17.941 26.802 6.908 1.00 0.00 ATOM 82 N ASP A 12 18.354 27.845 6.195 1.00 0.00 ATOM 83 CA ASP A 12 17.720 28.261 4.950 1.00 0.00 ATOM 84 CB ASP A 12 17.455 29.767 4.979 1.00 0.00 ATOM 85 CG ASP A 12 16.482 30.166 6.071 1.00 0.00 ATOM 86 OD1 ASP A 12 15.417 29.525 6.181 1.00 0.00 ATOM 87 OD2 ASP A 12 16.786 31.122 6.817 1.00 0.00 ATOM 88 O ASP A 12 19.860 27.625 4.075 1.00 0.00 ATOM 89 C ASP A 12 18.690 27.914 3.819 1.00 0.00 ATOM 90 N ALA A 13 18.224 27.966 2.572 1.00 0.00 ATOM 91 CA ALA A 13 19.085 27.652 1.430 1.00 0.00 ATOM 92 CB ALA A 13 18.306 27.780 0.128 1.00 0.00 ATOM 93 O ALA A 13 21.309 28.188 0.773 1.00 0.00 ATOM 94 C ALA A 13 20.255 28.606 1.231 1.00 0.00 ATOM 95 N GLN A 14 20.054 29.877 1.562 1.00 0.00 ATOM 96 CA GLN A 14 21.124 30.869 1.383 1.00 0.00 ATOM 97 CB GLN A 14 20.491 32.248 1.785 1.00 0.00 ATOM 98 CG GLN A 14 19.297 32.614 0.888 1.00 0.00 ATOM 99 CD GLN A 14 19.732 32.597 -0.565 1.00 0.00 ATOM 100 OE1 GLN A 14 20.593 33.380 -0.998 1.00 0.00 ATOM 101 NE2 GLN A 14 19.200 31.649 -1.328 1.00 0.00 ATOM 102 O GLN A 14 23.434 31.084 1.995 1.00 0.00 ATOM 103 C GLN A 14 22.328 30.627 2.294 1.00 0.00 ATOM 104 N ASN A 15 22.148 29.848 3.356 1.00 0.00 ATOM 105 CA ASN A 15 23.257 29.618 4.265 1.00 0.00 ATOM 106 CB ASN A 15 22.877 30.119 5.660 1.00 0.00 ATOM 107 CG ASN A 15 22.590 31.606 5.686 1.00 0.00 ATOM 108 ND2 ASN A 15 21.335 31.961 5.935 1.00 0.00 ATOM 109 OD1 ASN A 15 23.488 32.425 5.486 1.00 0.00 ATOM 110 O ASN A 15 24.929 28.020 4.836 1.00 0.00 ATOM 111 C ASN A 15 23.751 28.208 4.535 1.00 0.00 ATOM 112 N LEU A 16 22.832 27.128 4.445 1.00 0.00 ATOM 113 CA LEU A 16 23.237 25.764 4.741 1.00 0.00 ATOM 114 CB LEU A 16 24.475 25.406 3.917 1.00 0.00 ATOM 115 CG LEU A 16 24.322 25.482 2.396 1.00 0.00 ATOM 116 CD1 LEU A 16 25.646 25.187 1.708 1.00 0.00 ATOM 117 CD2 LEU A 16 23.297 24.469 1.908 1.00 0.00 ATOM 118 O LEU A 16 23.402 26.528 7.005 1.00 0.00 ATOM 119 C LEU A 16 23.582 25.598 6.212 1.00 0.00 ATOM 120 N ILE A 17 24.078 24.420 6.575 1.00 0.00 ATOM 121 CA ILE A 17 24.439 24.113 7.956 1.00 0.00 ATOM 122 CB ILE A 17 24.958 22.671 8.098 1.00 0.00 ATOM 123 CG1 ILE A 17 23.832 21.668 7.831 1.00 0.00 ATOM 124 CG2 ILE A 17 25.492 22.431 9.501 1.00 0.00 ATOM 125 CD1 ILE A 17 24.305 20.240 7.686 1.00 0.00 ATOM 126 O ILE A 17 25.444 25.445 9.677 1.00 0.00 ATOM 127 C ILE A 17 25.503 25.051 8.513 1.00 0.00 ATOM 128 N GLY A 18 26.491 25.382 7.688 1.00 0.00 ATOM 129 CA GLY A 18 27.548 26.275 8.133 1.00 0.00 ATOM 130 O GLY A 18 29.161 26.124 9.895 1.00 0.00 ATOM 131 C GLY A 18 28.627 25.568 8.931 1.00 0.00 ATOM 132 N ILE A 19 29.038 24.314 8.494 1.00 0.00 ATOM 133 CA ILE A 19 30.079 23.537 9.161 1.00 0.00 ATOM 134 CB ILE A 19 29.498 22.587 10.219 1.00 0.00 ATOM 135 CG1 ILE A 19 28.523 21.515 9.622 1.00 0.00 ATOM 136 CG2 ILE A 19 28.787 23.317 11.411 1.00 0.00 ATOM 137 CD1 ILE A 19 28.022 20.550 10.772 1.00 0.00 ATOM 138 O ILE A 19 30.420 22.303 7.129 1.00 0.00 ATOM 139 C ILE A 19 30.894 22.671 8.203 1.00 0.00 ATOM 140 N SER A 20 32.097 22.325 8.626 1.00 0.00 ATOM 141 CA SER A 20 32.988 21.492 7.820 1.00 0.00 ATOM 142 CB SER A 20 34.327 22.198 7.601 1.00 0.00 ATOM 143 OG SER A 20 34.156 23.397 6.866 1.00 0.00 ATOM 144 O SER A 20 33.502 20.385 9.868 1.00 0.00 ATOM 145 C SER A 20 33.235 20.265 8.678 1.00 0.00 ATOM 146 N ILE A 21 33.303 19.068 8.055 1.00 0.00 ATOM 147 CA ILE A 21 33.470 17.831 8.794 1.00 0.00 ATOM 148 CB ILE A 21 32.218 16.938 8.710 1.00 0.00 ATOM 149 CG1 ILE A 21 31.921 16.570 7.254 1.00 0.00 ATOM 150 CG2 ILE A 21 31.008 17.662 9.279 1.00 0.00 ATOM 151 CD1 ILE A 21 30.821 15.544 7.096 1.00 0.00 ATOM 152 O ILE A 21 35.090 17.208 7.179 1.00 0.00 ATOM 153 C ILE A 21 34.711 17.112 8.335 1.00 0.00 ATOM 154 N GLY A 22 35.291 16.258 9.187 1.00 0.00 ATOM 155 CA GLY A 22 36.340 15.322 8.834 1.00 0.00 ATOM 156 O GLY A 22 35.000 13.831 10.140 1.00 0.00 ATOM 157 C GLY A 22 36.005 13.970 9.435 1.00 0.00 ATOM 158 N GLY A 23 36.727 12.936 9.147 1.00 0.00 ATOM 159 CA GLY A 23 36.488 11.616 9.697 1.00 0.00 ATOM 160 O GLY A 23 35.280 10.929 7.736 1.00 0.00 ATOM 161 C GLY A 23 35.688 10.629 8.858 1.00 0.00 ATOM 162 N GLY A 24 35.429 9.457 9.437 1.00 0.00 ATOM 163 CA GLY A 24 34.691 8.411 8.745 1.00 0.00 ATOM 164 O GLY A 24 36.469 6.956 9.403 1.00 0.00 ATOM 165 C GLY A 24 35.260 7.068 9.169 1.00 0.00 ATOM 166 N ALA A 25 34.442 5.947 9.285 1.00 0.00 ATOM 167 CA ALA A 25 34.925 4.623 9.676 1.00 0.00 ATOM 168 CB ALA A 25 33.772 3.633 9.729 1.00 0.00 ATOM 169 O ALA A 25 36.754 3.155 9.192 1.00 0.00 ATOM 170 C ALA A 25 35.984 4.015 8.761 1.00 0.00 ATOM 171 N GLN A 26 36.010 4.432 7.495 1.00 0.00 ATOM 172 CA GLN A 26 36.993 3.882 6.563 1.00 0.00 ATOM 173 CB GLN A 26 36.697 4.215 5.108 1.00 0.00 ATOM 174 CG GLN A 26 35.327 3.724 4.616 1.00 0.00 ATOM 175 CD GLN A 26 35.136 2.239 4.887 1.00 0.00 ATOM 176 OE1 GLN A 26 35.837 1.348 4.418 1.00 0.00 ATOM 177 NE2 GLN A 26 34.145 1.947 5.769 1.00 0.00 ATOM 178 O GLN A 26 39.376 3.609 6.551 1.00 0.00 ATOM 179 C GLN A 26 38.409 4.218 7.002 1.00 0.00 ATOM 180 N TYR A 27 38.522 5.201 7.887 1.00 0.00 ATOM 181 CA TYR A 27 39.810 5.609 8.424 1.00 0.00 ATOM 182 CB TYR A 27 40.106 7.067 8.070 1.00 0.00 ATOM 183 CG TYR A 27 40.197 7.330 6.583 1.00 0.00 ATOM 184 CD1 TYR A 27 39.130 7.893 5.895 1.00 0.00 ATOM 185 CD2 TYR A 27 41.349 7.015 5.874 1.00 0.00 ATOM 186 CE1 TYR A 27 39.202 8.136 4.534 1.00 0.00 ATOM 187 CE2 TYR A 27 41.439 7.251 4.515 1.00 0.00 ATOM 188 CZ TYR A 27 40.353 7.815 3.847 1.00 0.00 ATOM 189 OH TYR A 27 40.429 8.057 2.495 1.00 0.00 ATOM 190 O TYR A 27 40.562 6.019 10.676 1.00 0.00 ATOM 191 C TYR A 27 39.753 5.450 9.944 1.00 0.00 ATOM 192 N CYS A 28 38.764 4.543 10.305 1.00 0.00 ATOM 193 CA CYS A 28 38.509 4.256 11.718 1.00 0.00 ATOM 194 CB CYS A 28 39.782 3.647 12.325 1.00 0.00 ATOM 195 SG CYS A 28 40.211 2.013 11.607 1.00 0.00 ATOM 196 O CYS A 28 37.819 5.181 13.823 1.00 0.00 ATOM 197 C CYS A 28 38.006 5.378 12.622 1.00 0.00 ATOM 198 N PRO A 29 37.769 6.548 12.039 1.00 0.00 ATOM 199 CA PRO A 29 37.286 7.689 12.801 1.00 0.00 ATOM 200 CB PRO A 29 38.121 8.869 12.231 1.00 0.00 ATOM 201 CG PRO A 29 38.092 8.531 10.775 1.00 0.00 ATOM 202 CD PRO A 29 38.356 7.035 10.769 1.00 0.00 ATOM 203 O PRO A 29 35.161 7.580 11.764 1.00 0.00 ATOM 204 C PRO A 29 35.800 7.956 12.767 1.00 0.00 ATOM 205 N CYS A 30 35.328 8.742 13.787 1.00 0.00 ATOM 206 CA CYS A 30 33.908 9.099 13.820 1.00 0.00 ATOM 207 CB CYS A 30 33.404 9.360 15.240 1.00 0.00 ATOM 208 SG CYS A 30 33.450 7.914 16.326 1.00 0.00 ATOM 209 O CYS A 30 34.847 10.982 12.676 1.00 0.00 ATOM 210 C CYS A 30 33.821 10.383 13.000 1.00 0.00 ATOM 211 N LEU A 31 32.607 10.800 12.658 1.00 0.00 ATOM 212 CA LEU A 31 32.423 12.032 11.891 1.00 0.00 ATOM 213 CB LEU A 31 31.022 12.065 11.307 1.00 0.00 ATOM 214 CG LEU A 31 30.658 13.335 10.534 1.00 0.00 ATOM 215 CD1 LEU A 31 31.566 13.486 9.320 1.00 0.00 ATOM 216 CD2 LEU A 31 29.203 13.256 10.101 1.00 0.00 ATOM 217 O LEU A 31 31.869 13.264 13.868 1.00 0.00 ATOM 218 C LEU A 31 32.601 13.171 12.884 1.00 0.00 ATOM 219 N TYR A 32 33.581 14.027 12.636 1.00 0.00 ATOM 220 CA TYR A 32 33.852 15.129 13.547 1.00 0.00 ATOM 221 CB TYR A 32 35.340 15.145 13.853 1.00 0.00 ATOM 222 CG TYR A 32 35.823 13.978 14.677 1.00 0.00 ATOM 223 CD1 TYR A 32 37.047 13.381 14.386 1.00 0.00 ATOM 224 CD2 TYR A 32 35.066 13.520 15.740 1.00 0.00 ATOM 225 CE1 TYR A 32 37.484 12.308 15.161 1.00 0.00 ATOM 226 CE2 TYR A 32 35.503 12.462 16.523 1.00 0.00 ATOM 227 CZ TYR A 32 36.707 11.874 16.214 1.00 0.00 ATOM 228 OH TYR A 32 37.154 10.828 16.996 1.00 0.00 ATOM 229 O TYR A 32 33.974 16.685 11.689 1.00 0.00 ATOM 230 C TYR A 32 33.639 16.478 12.886 1.00 0.00 ATOM 231 N ILE A 33 33.123 17.440 13.654 1.00 0.00 ATOM 232 CA ILE A 33 33.022 18.810 13.233 1.00 0.00 ATOM 233 CB ILE A 33 32.028 19.603 14.101 1.00 0.00 ATOM 234 CG1 ILE A 33 30.640 18.959 14.046 1.00 0.00 ATOM 235 CG2 ILE A 33 31.914 21.037 13.607 1.00 0.00 ATOM 236 CD1 ILE A 33 29.661 19.532 15.048 1.00 0.00 ATOM 237 O ILE A 33 35.051 19.396 14.375 1.00 0.00 ATOM 238 C ILE A 33 34.434 19.400 13.312 1.00 0.00 ATOM 239 N VAL A 34 34.946 19.890 12.188 1.00 0.00 ATOM 240 CA VAL A 34 36.297 20.452 12.145 1.00 0.00 ATOM 241 CB VAL A 34 37.079 19.967 10.910 1.00 0.00 ATOM 242 CG1 VAL A 34 37.187 18.449 10.910 1.00 0.00 ATOM 243 CG2 VAL A 34 36.376 20.400 9.633 1.00 0.00 ATOM 244 O VAL A 34 37.239 22.637 12.574 1.00 0.00 ATOM 245 C VAL A 34 36.283 21.978 12.128 1.00 0.00 ATOM 246 N GLN A 35 34.992 22.494 11.728 1.00 0.00 ATOM 247 CA GLN A 35 34.833 23.935 11.623 1.00 0.00 ATOM 248 CB GLN A 35 35.359 24.407 10.266 1.00 0.00 ATOM 249 CG GLN A 35 35.219 25.902 10.031 1.00 0.00 ATOM 250 CD GLN A 35 35.881 26.355 8.745 1.00 0.00 ATOM 251 OE1 GLN A 35 36.350 25.535 7.954 1.00 0.00 ATOM 252 NE2 GLN A 35 35.923 27.665 8.532 1.00 0.00 ATOM 253 O GLN A 35 32.514 23.773 11.011 1.00 0.00 ATOM 254 C GLN A 35 33.383 24.404 11.614 1.00 0.00 ATOM 255 N VAL A 36 33.135 25.517 12.345 1.00 0.00 ATOM 256 CA VAL A 36 31.804 26.102 12.411 1.00 0.00 ATOM 257 CB VAL A 36 31.330 26.108 13.877 1.00 0.00 ATOM 258 CG1 VAL A 36 29.938 26.712 13.983 1.00 0.00 ATOM 259 CG2 VAL A 36 31.284 24.691 14.427 1.00 0.00 ATOM 260 O VAL A 36 32.619 28.357 12.457 1.00 0.00 ATOM 261 C VAL A 36 31.924 27.522 11.873 1.00 0.00 ATOM 262 N PHE A 37 31.257 27.787 10.754 1.00 0.00 ATOM 263 CA PHE A 37 31.320 29.095 10.114 1.00 0.00 ATOM 264 CB PHE A 37 30.742 29.029 8.699 1.00 0.00 ATOM 265 CG PHE A 37 31.608 28.281 7.725 1.00 0.00 ATOM 266 CD1 PHE A 37 31.323 26.968 7.389 1.00 0.00 ATOM 267 CD2 PHE A 37 32.708 28.888 7.147 1.00 0.00 ATOM 268 CE1 PHE A 37 32.120 26.281 6.494 1.00 0.00 ATOM 269 CE2 PHE A 37 33.505 28.201 6.250 1.00 0.00 ATOM 270 CZ PHE A 37 33.213 26.902 5.924 1.00 0.00 ATOM 271 O PHE A 37 29.480 29.970 11.370 1.00 0.00 ATOM 272 C PHE A 37 30.582 30.183 10.870 1.00 0.00 ATOM 273 N ASP A 38 31.242 31.325 11.004 1.00 0.00 ATOM 274 CA ASP A 38 30.678 32.468 11.704 1.00 0.00 ATOM 275 CB ASP A 38 31.648 33.649 11.630 1.00 0.00 ATOM 276 CG ASP A 38 32.860 33.463 12.521 1.00 0.00 ATOM 277 OD1 ASP A 38 32.862 32.518 13.335 1.00 0.00 ATOM 278 OD2 ASP A 38 33.811 34.269 12.404 1.00 0.00 ATOM 279 O ASP A 38 29.220 33.086 9.898 1.00 0.00 ATOM 280 C ASP A 38 29.344 32.920 11.112 1.00 0.00 ATOM 281 N ASN A 39 28.369 33.140 12.091 1.00 0.00 ATOM 282 CA ASN A 39 27.070 33.655 11.692 1.00 0.00 ATOM 283 CB ASN A 39 27.255 34.791 10.672 1.00 0.00 ATOM 284 CG ASN A 39 27.772 35.985 11.394 1.00 0.00 ATOM 285 ND2 ASN A 39 28.825 36.564 10.840 1.00 0.00 ATOM 286 OD1 ASN A 39 27.320 36.285 12.539 1.00 0.00 ATOM 287 O ASN A 39 24.954 33.207 10.708 1.00 0.00 ATOM 288 C ASN A 39 26.071 32.770 10.971 1.00 0.00 ATOM 289 N THR A 40 26.443 31.534 10.647 1.00 0.00 ATOM 290 CA THR A 40 25.509 30.662 9.945 1.00 0.00 ATOM 291 CB THR A 40 26.230 29.692 8.990 1.00 0.00 ATOM 292 CG2 THR A 40 27.073 30.460 7.986 1.00 0.00 ATOM 293 OG1 THR A 40 27.083 28.821 9.745 1.00 0.00 ATOM 294 O THR A 40 24.836 29.929 12.133 1.00 0.00 ATOM 295 C THR A 40 24.690 29.810 10.916 1.00 0.00 ATOM 296 N PRO A 41 23.832 28.952 10.370 1.00 0.00 ATOM 297 CA PRO A 41 22.929 28.126 11.176 1.00 0.00 ATOM 298 CB PRO A 41 22.395 27.145 10.069 1.00 0.00 ATOM 299 CG PRO A 41 22.388 27.996 8.851 1.00 0.00 ATOM 300 CD PRO A 41 23.706 28.742 8.961 1.00 0.00 ATOM 301 O PRO A 41 23.067 27.550 13.491 1.00 0.00 ATOM 302 C PRO A 41 23.553 27.407 12.370 1.00 0.00 ATOM 303 N ALA A 42 24.607 26.632 12.145 1.00 0.00 ATOM 304 CA ALA A 42 25.245 25.912 13.244 1.00 0.00 ATOM 305 CB ALA A 42 26.450 25.133 12.736 1.00 0.00 ATOM 306 O ALA A 42 25.495 26.611 15.519 1.00 0.00 ATOM 307 C ALA A 42 25.746 26.844 14.338 1.00 0.00 ATOM 308 N ALA A 43 26.443 27.927 13.938 1.00 0.00 ATOM 309 CA ALA A 43 26.897 28.902 14.925 1.00 0.00 ATOM 310 CB ALA A 43 27.654 30.003 14.198 1.00 0.00 ATOM 311 O ALA A 43 25.873 29.863 16.843 1.00 0.00 ATOM 312 C ALA A 43 25.739 29.536 15.669 1.00 0.00 ATOM 313 N LEU A 44 24.602 29.699 15.003 1.00 0.00 ATOM 314 CA LEU A 44 23.438 30.323 15.653 1.00 0.00 ATOM 315 CB LEU A 44 22.302 30.471 14.639 1.00 0.00 ATOM 316 CG LEU A 44 22.529 31.474 13.507 1.00 0.00 ATOM 317 CD1 LEU A 44 21.386 31.422 12.503 1.00 0.00 ATOM 318 CD2 LEU A 44 22.618 32.892 14.052 1.00 0.00 ATOM 319 O LEU A 44 22.348 30.092 17.767 1.00 0.00 ATOM 320 C LEU A 44 22.916 29.522 16.843 1.00 0.00 ATOM 321 N ASP A 45 23.141 28.146 16.808 1.00 0.00 ATOM 322 CA ASP A 45 22.655 27.329 17.925 1.00 0.00 ATOM 323 CB ASP A 45 22.857 25.843 17.619 1.00 0.00 ATOM 324 CG ASP A 45 21.918 25.337 16.542 1.00 0.00 ATOM 325 OD1 ASP A 45 20.956 26.058 16.207 1.00 0.00 ATOM 326 OD2 ASP A 45 22.147 24.219 16.032 1.00 0.00 ATOM 327 O ASP A 45 22.626 27.533 20.323 1.00 0.00 ATOM 328 C ASP A 45 23.294 27.638 19.276 1.00 0.00 ATOM 329 N GLY A 46 24.595 28.055 19.229 1.00 0.00 ATOM 330 CA GLY A 46 25.338 28.282 20.457 1.00 0.00 ATOM 331 O GLY A 46 26.192 26.993 22.287 1.00 0.00 ATOM 332 C GLY A 46 25.640 26.978 21.174 1.00 0.00 ATOM 333 N THR A 47 25.295 25.865 20.541 1.00 0.00 ATOM 334 CA THR A 47 25.413 24.553 21.202 1.00 0.00 ATOM 335 CB THR A 47 23.999 23.948 21.273 1.00 0.00 ATOM 336 CG2 THR A 47 23.079 24.844 22.090 1.00 0.00 ATOM 337 OG1 THR A 47 23.465 23.819 19.950 1.00 0.00 ATOM 338 O THR A 47 26.571 22.458 21.122 1.00 0.00 ATOM 339 C THR A 47 26.362 23.538 20.572 1.00 0.00 ATOM 340 N VAL A 48 26.960 23.844 19.439 1.00 0.00 ATOM 341 CA VAL A 48 27.882 22.948 18.755 1.00 0.00 ATOM 342 CB VAL A 48 27.593 22.926 17.237 1.00 0.00 ATOM 343 CG1 VAL A 48 28.681 22.134 16.518 1.00 0.00 ATOM 344 CG2 VAL A 48 26.234 22.281 16.983 1.00 0.00 ATOM 345 O VAL A 48 29.551 24.671 18.873 1.00 0.00 ATOM 346 C VAL A 48 29.323 23.463 18.811 1.00 0.00 ATOM 347 N ALA A 49 30.287 22.546 18.796 1.00 0.00 ATOM 348 CA ALA A 49 31.691 22.933 18.873 1.00 0.00 ATOM 349 CB ALA A 49 32.205 22.847 20.300 1.00 0.00 ATOM 350 O ALA A 49 32.231 20.908 17.720 1.00 0.00 ATOM 351 C ALA A 49 32.575 22.049 18.014 1.00 0.00 ATOM 352 N ALA A 50 33.707 22.602 17.595 1.00 0.00 ATOM 353 CA ALA A 50 34.678 21.853 16.815 1.00 0.00 ATOM 354 CB ALA A 50 35.836 22.752 16.405 1.00 0.00 ATOM 355 O ALA A 50 35.242 20.951 18.966 1.00 0.00 ATOM 356 C ALA A 50 35.134 20.741 17.757 1.00 0.00 ATOM 357 N GLY A 51 35.327 19.541 17.227 1.00 0.00 ATOM 358 CA GLY A 51 35.740 18.439 18.074 1.00 0.00 ATOM 359 O GLY A 51 34.775 16.499 19.085 1.00 0.00 ATOM 360 C GLY A 51 34.572 17.556 18.483 1.00 0.00 ATOM 361 N ASP A 52 33.348 18.002 18.196 1.00 0.00 ATOM 362 CA ASP A 52 32.154 17.216 18.510 1.00 0.00 ATOM 363 CB ASP A 52 30.906 18.099 18.466 1.00 0.00 ATOM 364 CG ASP A 52 30.829 19.060 19.635 1.00 0.00 ATOM 365 OD1 ASP A 52 31.611 18.892 20.596 1.00 0.00 ATOM 366 OD2 ASP A 52 29.989 19.984 19.592 1.00 0.00 ATOM 367 O ASP A 52 31.982 16.402 16.271 1.00 0.00 ATOM 368 C ASP A 52 31.959 16.127 17.469 1.00 0.00 ATOM 369 N GLU A 53 31.678 14.912 17.917 1.00 0.00 ATOM 370 CA GLU A 53 31.408 13.831 16.989 1.00 0.00 ATOM 371 CB GLU A 53 31.965 12.500 17.482 1.00 0.00 ATOM 372 CG GLU A 53 31.213 11.865 18.657 1.00 0.00 ATOM 373 CD GLU A 53 31.967 10.733 19.331 1.00 0.00 ATOM 374 OE1 GLU A 53 31.496 10.252 20.391 1.00 0.00 ATOM 375 OE2 GLU A 53 33.037 10.267 18.804 1.00 0.00 ATOM 376 O GLU A 53 29.109 13.991 17.618 1.00 0.00 ATOM 377 C GLU A 53 29.910 13.845 16.701 1.00 0.00 ATOM 378 N ILE A 54 29.486 13.668 15.389 1.00 0.00 ATOM 379 CA ILE A 54 28.073 13.644 15.035 1.00 0.00 ATOM 380 CB ILE A 54 27.751 14.322 13.673 1.00 0.00 ATOM 381 CG1 ILE A 54 28.417 15.702 13.588 1.00 0.00 ATOM 382 CG2 ILE A 54 26.214 14.481 13.524 1.00 0.00 ATOM 383 CD1 ILE A 54 28.292 16.349 12.224 1.00 0.00 ATOM 384 O ILE A 54 28.222 11.334 14.412 1.00 0.00 ATOM 385 C ILE A 54 27.674 12.176 15.124 1.00 0.00 ATOM 386 N THR A 55 26.740 11.865 16.013 1.00 0.00 ATOM 387 CA THR A 55 26.321 10.483 16.213 1.00 0.00 ATOM 388 CB THR A 55 26.185 10.137 17.708 1.00 0.00 ATOM 389 CG2 THR A 55 27.509 10.347 18.427 1.00 0.00 ATOM 390 OG1 THR A 55 25.193 10.977 18.309 1.00 0.00 ATOM 391 O THR A 55 24.761 8.971 15.206 1.00 0.00 ATOM 392 C THR A 55 24.984 10.124 15.581 1.00 0.00 ATOM 393 N GLY A 56 24.136 11.122 15.376 1.00 0.00 ATOM 394 CA GLY A 56 22.840 10.871 14.764 1.00 0.00 ATOM 395 O GLY A 56 22.367 13.215 14.648 1.00 0.00 ATOM 396 C GLY A 56 22.351 12.121 14.068 1.00 0.00 ATOM 397 N VAL A 57 21.805 11.964 12.786 1.00 0.00 ATOM 398 CA VAL A 57 21.225 13.106 12.064 1.00 0.00 ATOM 399 CB VAL A 57 21.975 13.328 10.738 1.00 0.00 ATOM 400 CG1 VAL A 57 21.337 14.466 9.953 1.00 0.00 ATOM 401 CG2 VAL A 57 23.430 13.682 11.001 1.00 0.00 ATOM 402 O VAL A 57 19.525 11.818 10.974 1.00 0.00 ATOM 403 C VAL A 57 19.780 12.731 11.762 1.00 0.00 ATOM 404 N ASN A 58 18.815 13.413 12.409 1.00 0.00 ATOM 405 CA ASN A 58 17.395 13.131 12.223 1.00 0.00 ATOM 406 CB ASN A 58 16.935 13.609 10.863 1.00 0.00 ATOM 407 CG ASN A 58 17.118 15.124 10.735 1.00 0.00 ATOM 408 ND2 ASN A 58 17.855 15.552 9.709 1.00 0.00 ATOM 409 OD1 ASN A 58 16.612 15.894 11.559 1.00 0.00 ATOM 410 O ASN A 58 16.355 11.021 11.707 1.00 0.00 ATOM 411 C ASN A 58 17.097 11.648 12.463 1.00 0.00 ATOM 412 N GLY A 59 17.639 11.107 13.549 1.00 0.00 ATOM 413 CA GLY A 59 17.387 9.713 13.882 1.00 0.00 ATOM 414 O GLY A 59 18.166 7.499 13.434 1.00 0.00 ATOM 415 C GLY A 59 18.242 8.697 13.151 1.00 0.00 ATOM 416 N ARG A 60 19.009 9.155 12.170 1.00 0.00 ATOM 417 CA ARG A 60 19.862 8.252 11.417 1.00 0.00 ATOM 418 CB ARG A 60 19.843 8.632 9.917 1.00 0.00 ATOM 419 CG ARG A 60 18.502 8.463 9.229 1.00 0.00 ATOM 420 CD ARG A 60 18.626 8.821 7.752 1.00 0.00 ATOM 421 NE ARG A 60 18.980 10.224 7.569 1.00 0.00 ATOM 422 CZ ARG A 60 19.335 10.747 6.394 1.00 0.00 ATOM 423 NH1 ARG A 60 19.647 12.039 6.292 1.00 0.00 ATOM 424 NH2 ARG A 60 19.385 9.968 5.321 1.00 0.00 ATOM 425 O ARG A 60 21.940 9.117 12.253 1.00 0.00 ATOM 426 C ARG A 60 21.220 8.132 12.097 1.00 0.00 ATOM 427 N SER A 61 21.556 6.916 12.508 1.00 0.00 ATOM 428 CA SER A 61 22.813 6.650 13.187 1.00 0.00 ATOM 429 CB SER A 61 22.789 5.231 13.753 1.00 0.00 ATOM 430 OG SER A 61 21.763 5.095 14.684 1.00 0.00 ATOM 431 O SER A 61 24.058 6.251 11.171 1.00 0.00 ATOM 432 C SER A 61 24.024 6.807 12.267 1.00 0.00 ATOM 433 N ILE A 62 25.020 7.560 12.723 1.00 0.00 ATOM 434 CA ILE A 62 26.231 7.782 11.941 1.00 0.00 ATOM 435 CB ILE A 62 26.342 9.205 11.391 1.00 0.00 ATOM 436 CG1 ILE A 62 26.318 10.235 12.526 1.00 0.00 ATOM 437 CG2 ILE A 62 25.207 9.455 10.422 1.00 0.00 ATOM 438 CD1 ILE A 62 26.568 11.662 12.066 1.00 0.00 ATOM 439 O ILE A 62 28.577 7.804 12.414 1.00 0.00 ATOM 440 C ILE A 62 27.464 7.414 12.761 1.00 0.00 ATOM 441 N LYS A 63 27.268 6.673 13.850 1.00 0.00 ATOM 442 CA LYS A 63 28.381 6.298 14.718 1.00 0.00 ATOM 443 CB LYS A 63 27.850 4.971 15.550 1.00 0.00 ATOM 444 CG LYS A 63 28.381 4.669 16.900 1.00 0.00 ATOM 445 CD LYS A 63 27.912 3.317 17.422 1.00 0.00 ATOM 446 CE LYS A 63 28.238 3.183 18.893 1.00 0.00 ATOM 447 NZ LYS A 63 27.107 3.641 19.761 1.00 0.00 ATOM 448 O LYS A 63 30.595 5.629 14.082 1.00 0.00 ATOM 449 C LYS A 63 29.384 5.486 13.905 1.00 0.00 ATOM 450 N GLY A 64 29.047 4.544 12.866 1.00 0.00 ATOM 451 CA GLY A 64 29.987 3.785 12.059 1.00 0.00 ATOM 452 O GLY A 64 30.059 3.165 9.736 1.00 0.00 ATOM 453 C GLY A 64 29.876 4.057 10.561 1.00 0.00 ATOM 454 N LYS A 65 29.539 5.294 10.221 1.00 0.00 ATOM 455 CA LYS A 65 29.388 5.685 8.827 1.00 0.00 ATOM 456 CB LYS A 65 28.416 6.881 8.658 1.00 0.00 ATOM 457 CG LYS A 65 27.015 6.661 9.236 1.00 0.00 ATOM 458 CD LYS A 65 26.371 5.454 8.592 1.00 0.00 ATOM 459 CE LYS A 65 24.988 5.192 9.166 1.00 0.00 ATOM 460 NZ LYS A 65 24.347 3.998 8.546 1.00 0.00 ATOM 461 O LYS A 65 31.670 6.439 8.827 1.00 0.00 ATOM 462 C LYS A 65 30.715 6.014 8.165 1.00 0.00 ATOM 463 N THR A 66 30.768 5.803 6.854 1.00 0.00 ATOM 464 CA THR A 66 31.953 6.128 6.068 1.00 0.00 ATOM 465 CB THR A 66 31.980 5.343 4.744 1.00 0.00 ATOM 466 CG2 THR A 66 31.914 3.848 5.011 1.00 0.00 ATOM 467 OG1 THR A 66 30.858 5.721 3.939 1.00 0.00 ATOM 468 O THR A 66 30.803 8.219 6.126 1.00 0.00 ATOM 469 C THR A 66 31.834 7.623 5.813 1.00 0.00 ATOM 470 N LYS A 67 32.912 8.253 5.365 1.00 0.00 ATOM 471 CA LYS A 67 32.859 9.688 5.084 1.00 0.00 ATOM 472 CB LYS A 67 34.180 10.164 4.479 1.00 0.00 ATOM 473 CG LYS A 67 34.230 11.658 4.201 1.00 0.00 ATOM 474 CD LYS A 67 35.592 12.075 3.667 1.00 0.00 ATOM 475 CE LYS A 67 35.627 13.559 3.343 1.00 0.00 ATOM 476 NZ LYS A 67 36.948 13.977 2.797 1.00 0.00 ATOM 477 O LYS A 67 30.977 10.943 4.238 1.00 0.00 ATOM 478 C LYS A 67 31.740 9.986 4.077 1.00 0.00 ATOM 479 N VAL A 68 31.632 9.149 3.051 1.00 0.00 ATOM 480 CA VAL A 68 30.617 9.342 2.019 1.00 0.00 ATOM 481 CB VAL A 68 30.836 8.333 0.830 1.00 0.00 ATOM 482 CG1 VAL A 68 29.680 8.375 -0.168 1.00 0.00 ATOM 483 CG2 VAL A 68 32.156 8.621 0.121 1.00 0.00 ATOM 484 O VAL A 68 28.364 10.046 2.292 1.00 0.00 ATOM 485 C VAL A 68 29.201 9.202 2.582 1.00 0.00 ATOM 486 N GLU A 69 28.943 8.203 3.403 1.00 0.00 ATOM 487 CA GLU A 69 27.602 8.037 3.978 1.00 0.00 ATOM 488 CB GLU A 69 27.576 6.805 4.881 1.00 0.00 ATOM 489 CG GLU A 69 27.661 5.485 4.134 1.00 0.00 ATOM 490 CD GLU A 69 27.757 4.292 5.064 1.00 0.00 ATOM 491 OE1 GLU A 69 27.832 4.502 6.293 1.00 0.00 ATOM 492 OE2 GLU A 69 27.756 3.148 4.564 1.00 0.00 ATOM 493 O GLU A 69 26.104 9.739 4.770 1.00 0.00 ATOM 494 C GLU A 69 27.237 9.256 4.821 1.00 0.00 ATOM 495 N VAL A 70 28.195 9.759 5.607 1.00 0.00 ATOM 496 CA VAL A 70 27.922 10.937 6.429 1.00 0.00 ATOM 497 CB VAL A 70 29.160 11.332 7.267 1.00 0.00 ATOM 498 CG1 VAL A 70 28.918 12.671 7.959 1.00 0.00 ATOM 499 CG2 VAL A 70 29.444 10.254 8.306 1.00 0.00 ATOM 500 O VAL A 70 26.625 12.881 5.896 1.00 0.00 ATOM 501 C VAL A 70 27.556 12.143 5.578 1.00 0.00 ATOM 502 N ALA A 71 28.302 12.344 4.497 1.00 0.00 ATOM 503 CA ALA A 71 28.057 13.456 3.590 1.00 0.00 ATOM 504 CB ALA A 71 29.084 13.498 2.486 1.00 0.00 ATOM 505 O ALA A 71 25.955 14.355 2.861 1.00 0.00 ATOM 506 C ALA A 71 26.663 13.356 2.971 1.00 0.00 ATOM 507 N LYS A 72 26.280 12.154 2.554 1.00 0.00 ATOM 508 CA LYS A 72 24.973 11.959 1.940 1.00 0.00 ATOM 509 CB LYS A 72 24.830 10.523 1.428 1.00 0.00 ATOM 510 CG LYS A 72 25.702 10.204 0.223 1.00 0.00 ATOM 511 CD LYS A 72 25.509 8.769 -0.233 1.00 0.00 ATOM 512 CE LYS A 72 26.404 8.439 -1.416 1.00 0.00 ATOM 513 NZ LYS A 72 26.243 7.028 -1.859 1.00 0.00 ATOM 514 O LYS A 72 22.844 12.857 2.604 1.00 0.00 ATOM 515 C LYS A 72 23.846 12.209 2.933 1.00 0.00 ATOM 516 N MET A 73 24.009 11.701 4.141 1.00 0.00 ATOM 517 CA MET A 73 22.979 11.910 5.160 1.00 0.00 ATOM 518 CB MET A 73 23.380 11.192 6.449 1.00 0.00 ATOM 519 CG MET A 73 22.320 11.230 7.536 1.00 0.00 ATOM 520 SD MET A 73 22.857 10.430 9.062 1.00 0.00 ATOM 521 CE MET A 73 22.922 8.719 8.540 1.00 0.00 ATOM 522 O MET A 73 21.674 13.891 5.484 1.00 0.00 ATOM 523 C MET A 73 22.802 13.384 5.433 1.00 0.00 ATOM 524 N ILE A 74 23.910 14.097 5.638 1.00 0.00 ATOM 525 CA ILE A 74 23.874 15.528 5.920 1.00 0.00 ATOM 526 CB ILE A 74 25.287 16.027 6.333 1.00 0.00 ATOM 527 CG1 ILE A 74 25.677 15.395 7.671 1.00 0.00 ATOM 528 CG2 ILE A 74 25.313 17.547 6.420 1.00 0.00 ATOM 529 CD1 ILE A 74 27.046 15.799 8.169 1.00 0.00 ATOM 530 O ILE A 74 22.605 17.299 4.907 1.00 0.00 ATOM 531 C ILE A 74 23.358 16.341 4.736 1.00 0.00 ATOM 532 N GLN A 75 23.741 15.910 3.550 1.00 0.00 ATOM 533 CA GLN A 75 23.324 16.593 2.331 1.00 0.00 ATOM 534 CB GLN A 75 24.061 15.945 1.111 1.00 0.00 ATOM 535 CG GLN A 75 23.707 16.653 -0.212 1.00 0.00 ATOM 536 CD GLN A 75 24.185 18.104 -0.087 1.00 0.00 ATOM 537 OE1 GLN A 75 25.388 18.277 0.116 1.00 0.00 ATOM 538 NE2 GLN A 75 23.300 19.087 -0.154 1.00 0.00 ATOM 539 O GLN A 75 21.195 17.533 1.770 1.00 0.00 ATOM 540 C GLN A 75 21.813 16.527 2.111 1.00 0.00 ATOM 541 N GLU A 76 21.195 15.424 2.519 1.00 0.00 ATOM 542 CA GLU A 76 19.758 15.235 2.328 1.00 0.00 ATOM 543 CB GLU A 76 19.425 13.745 2.214 1.00 0.00 ATOM 544 CG GLU A 76 20.043 13.062 1.006 1.00 0.00 ATOM 545 CD GLU A 76 19.675 11.594 0.915 1.00 0.00 ATOM 546 OE1 GLU A 76 18.937 11.112 1.800 1.00 0.00 ATOM 547 OE2 GLU A 76 20.123 10.928 -0.041 1.00 0.00 ATOM 548 O GLU A 76 17.585 15.867 3.152 1.00 0.00 ATOM 549 C GLU A 76 18.814 15.969 3.284 1.00 0.00 ATOM 550 N VAL A 77 19.381 16.611 4.301 1.00 0.00 ATOM 551 CA VAL A 77 18.598 17.255 5.346 1.00 0.00 ATOM 552 CB VAL A 77 19.498 17.418 6.631 1.00 0.00 ATOM 553 CG1 VAL A 77 20.147 16.088 7.000 1.00 0.00 ATOM 554 CG2 VAL A 77 20.583 18.450 6.359 1.00 0.00 ATOM 555 O VAL A 77 18.190 19.133 3.896 1.00 0.00 ATOM 556 C VAL A 77 17.823 18.487 4.881 1.00 0.00 ATOM 557 N LYS A 78 16.748 18.800 5.595 1.00 0.00 ATOM 558 CA LYS A 78 15.933 19.950 5.255 1.00 0.00 ATOM 559 CB LYS A 78 14.857 19.482 4.205 1.00 0.00 ATOM 560 CG LYS A 78 14.136 20.542 3.445 1.00 0.00 ATOM 561 CD LYS A 78 12.985 19.931 2.661 1.00 0.00 ATOM 562 CE LYS A 78 12.241 20.985 1.881 1.00 0.00 ATOM 563 NZ LYS A 78 11.064 20.417 1.165 1.00 0.00 ATOM 564 O LYS A 78 14.601 20.472 7.195 1.00 0.00 ATOM 565 C LYS A 78 15.393 20.859 6.355 1.00 0.00 ATOM 566 N GLY A 79 15.877 22.187 6.255 1.00 0.00 ATOM 567 CA GLY A 79 15.477 23.113 7.301 1.00 0.00 ATOM 568 O GLY A 79 16.472 23.478 9.445 1.00 0.00 ATOM 569 C GLY A 79 15.741 22.765 8.755 1.00 0.00 ATOM 570 N GLU A 80 14.996 21.789 9.258 1.00 0.00 ATOM 571 CA GLU A 80 15.094 21.354 10.642 1.00 0.00 ATOM 572 CB GLU A 80 13.690 21.413 11.342 1.00 0.00 ATOM 573 CG GLU A 80 12.997 22.745 11.017 1.00 0.00 ATOM 574 CD GLU A 80 11.504 22.622 11.229 1.00 0.00 ATOM 575 OE1 GLU A 80 10.827 23.689 11.269 1.00 0.00 ATOM 576 OE2 GLU A 80 10.998 21.485 11.354 1.00 0.00 ATOM 577 O GLU A 80 15.578 19.024 10.428 1.00 0.00 ATOM 578 C GLU A 80 15.968 20.124 10.788 1.00 0.00 ATOM 579 N VAL A 81 17.205 20.309 11.280 1.00 0.00 ATOM 580 CA VAL A 81 18.148 19.215 11.399 1.00 0.00 ATOM 581 CB VAL A 81 19.475 19.535 10.687 1.00 0.00 ATOM 582 CG1 VAL A 81 20.465 18.393 10.867 1.00 0.00 ATOM 583 CG2 VAL A 81 19.246 19.739 9.197 1.00 0.00 ATOM 584 O VAL A 81 19.181 19.728 13.496 1.00 0.00 ATOM 585 C VAL A 81 18.508 18.925 12.852 1.00 0.00 ATOM 586 N THR A 82 18.051 17.785 13.364 1.00 0.00 ATOM 587 CA THR A 82 18.338 17.392 14.743 1.00 0.00 ATOM 588 CB THR A 82 17.150 16.619 15.347 1.00 0.00 ATOM 589 CG2 THR A 82 17.449 16.223 16.785 1.00 0.00 ATOM 590 OG1 THR A 82 15.980 17.442 15.325 1.00 0.00 ATOM 591 O THR A 82 19.650 15.472 14.148 1.00 0.00 ATOM 592 C THR A 82 19.583 16.513 14.796 1.00 0.00 ATOM 593 N ILE A 83 20.600 16.972 15.512 1.00 0.00 ATOM 594 CA ILE A 83 21.842 16.222 15.615 1.00 0.00 ATOM 595 CB ILE A 83 23.062 17.068 15.208 1.00 0.00 ATOM 596 CG1 ILE A 83 22.950 17.498 13.744 1.00 0.00 ATOM 597 CG2 ILE A 83 24.346 16.268 15.378 1.00 0.00 ATOM 598 CD1 ILE A 83 23.980 18.525 13.328 1.00 0.00 ATOM 599 O ILE A 83 21.801 16.430 17.997 1.00 0.00 ATOM 600 C ILE A 83 22.090 15.729 17.028 1.00 0.00 ATOM 601 N HIS A 84 22.544 14.496 17.143 1.00 0.00 ATOM 602 CA HIS A 84 23.068 13.981 18.407 1.00 0.00 ATOM 603 CB HIS A 84 22.479 12.581 18.590 1.00 0.00 ATOM 604 CG HIS A 84 20.981 12.553 18.606 1.00 0.00 ATOM 605 CD2 HIS A 84 19.938 12.281 17.630 1.00 0.00 ATOM 606 ND1 HIS A 84 20.244 12.826 19.739 1.00 0.00 ATOM 607 CE1 HIS A 84 18.936 12.723 19.445 1.00 0.00 ATOM 608 NE2 HIS A 84 18.745 12.396 18.181 1.00 0.00 ATOM 609 O HIS A 84 25.061 13.631 17.139 1.00 0.00 ATOM 610 C HIS A 84 24.560 14.031 18.205 1.00 0.00 ATOM 611 N TYR A 85 25.261 14.640 19.158 1.00 0.00 ATOM 612 CA TYR A 85 26.695 14.830 19.114 1.00 0.00 ATOM 613 CB TYR A 85 27.102 16.254 18.718 1.00 0.00 ATOM 614 CG TYR A 85 26.705 17.305 19.727 1.00 0.00 ATOM 615 CD1 TYR A 85 27.588 17.710 20.720 1.00 0.00 ATOM 616 CD2 TYR A 85 25.448 17.893 19.682 1.00 0.00 ATOM 617 CE1 TYR A 85 27.234 18.672 21.646 1.00 0.00 ATOM 618 CE2 TYR A 85 25.075 18.857 20.600 1.00 0.00 ATOM 619 CZ TYR A 85 25.981 19.243 21.586 1.00 0.00 ATOM 620 OH TYR A 85 25.625 20.203 22.508 1.00 0.00 ATOM 621 O TYR A 85 26.617 14.399 21.465 1.00 0.00 ATOM 622 C TYR A 85 27.322 14.569 20.471 1.00 0.00 ATOM 623 N ASN A 86 28.642 14.410 20.481 1.00 0.00 ATOM 624 CA ASN A 86 29.365 14.140 21.711 1.00 0.00 ATOM 625 CB ASN A 86 29.407 12.629 21.951 1.00 0.00 ATOM 626 CG ASN A 86 30.039 12.270 23.280 1.00 0.00 ATOM 627 ND2 ASN A 86 29.243 11.693 24.174 1.00 0.00 ATOM 628 OD1 ASN A 86 31.228 12.507 23.499 1.00 0.00 ATOM 629 O ASN A 86 31.495 14.462 20.655 1.00 0.00 ATOM 630 C ASN A 86 30.801 14.647 21.656 1.00 0.00 ATOM 631 N LYS A 87 31.248 15.296 22.720 1.00 0.00 ATOM 632 CA LYS A 87 32.612 15.807 22.816 1.00 0.00 ATOM 633 CB LYS A 87 32.820 16.534 24.146 1.00 0.00 ATOM 634 CG LYS A 87 34.193 17.169 24.298 1.00 0.00 ATOM 635 CD LYS A 87 34.302 17.943 25.601 1.00 0.00 ATOM 636 CE LYS A 87 35.699 18.515 25.789 1.00 0.00 ATOM 637 NZ LYS A 87 35.802 19.333 27.027 1.00 0.00 ATOM 638 O LYS A 87 33.472 13.703 23.592 1.00 0.00 ATOM 639 C LYS A 87 33.533 14.593 22.738 1.00 0.00 ATOM 640 N LEU A 88 34.367 14.552 21.713 1.00 0.00 ATOM 641 CA LEU A 88 35.262 13.411 21.525 1.00 0.00 ATOM 642 CB LEU A 88 36.213 13.632 20.348 1.00 0.00 ATOM 643 CG LEU A 88 37.296 12.562 20.120 1.00 0.00 ATOM 644 CD1 LEU A 88 36.633 11.210 19.850 1.00 0.00 ATOM 645 CD2 LEU A 88 38.215 12.967 18.971 1.00 0.00 ATOM 646 O LEU A 88 36.682 14.126 23.347 1.00 0.00 ATOM 647 C LEU A 88 36.311 13.191 22.630 1.00 0.00 ATOM 648 N GLN A 89 36.896 11.937 22.833 1.00 0.00 ATOM 649 CA GLN A 89 37.951 11.721 23.808 1.00 0.00 ATOM 650 CB GLN A 89 38.286 10.242 23.961 1.00 0.00 ATOM 651 CG GLN A 89 37.214 9.455 24.724 1.00 0.00 ATOM 652 CD GLN A 89 37.432 7.953 24.648 1.00 0.00 ATOM 653 OE1 GLN A 89 38.300 7.479 23.907 1.00 0.00 ATOM 654 NE2 GLN A 89 36.623 7.193 25.383 1.00 0.00 ATOM 655 O GLN A 89 39.859 13.113 24.308 1.00 0.00 ATOM 656 C GLN A 89 39.176 12.578 23.435 1.00 0.00 ATOM 657 N TYR A 90 39.412 12.731 22.117 1.00 0.00 ATOM 658 CA TYR A 90 40.531 13.538 21.643 1.00 0.00 ATOM 659 CB TYR A 90 40.565 13.613 20.132 1.00 0.00 ATOM 660 CG TYR A 90 41.515 14.608 19.570 1.00 0.00 ATOM 661 CD1 TYR A 90 42.891 14.402 19.674 1.00 0.00 ATOM 662 CD2 TYR A 90 41.040 15.712 18.877 1.00 0.00 ATOM 663 CE1 TYR A 90 43.762 15.340 19.149 1.00 0.00 ATOM 664 CE2 TYR A 90 41.906 16.654 18.344 1.00 0.00 ATOM 665 CZ TYR A 90 43.250 16.461 18.513 1.00 0.00 ATOM 666 OH TYR A 90 44.126 17.382 17.983 1.00 0.00 ATOM 667 O TYR A 90 41.305 15.510 22.742 1.00 0.00 ATOM 668 C TYR A 90 40.410 14.962 22.126 1.00 0.00 ATOM 669 N TYR A 91 39.191 15.530 21.743 1.00 0.00 ATOM 670 CA TYR A 91 38.959 16.898 22.099 1.00 0.00 ATOM 671 CB TYR A 91 37.649 17.359 21.445 1.00 0.00 ATOM 672 CG TYR A 91 37.273 18.814 21.625 1.00 0.00 ATOM 673 CD1 TYR A 91 37.943 19.822 20.930 1.00 0.00 ATOM 674 CD2 TYR A 91 36.207 19.173 22.444 1.00 0.00 ATOM 675 CE1 TYR A 91 37.578 21.166 21.076 1.00 0.00 ATOM 676 CE2 TYR A 91 35.838 20.512 22.604 1.00 0.00 ATOM 677 CZ TYR A 91 36.524 21.497 21.914 1.00 0.00 ATOM 678 OH TYR A 91 36.147 22.815 22.067 1.00 0.00 ATOM 679 O TYR A 91 39.357 18.108 24.111 1.00 0.00 ATOM 680 C TYR A 91 38.939 17.067 23.629 1.00 0.00 ATOM 681 N LYS A 92 38.402 16.098 24.358 1.00 0.00 ATOM 682 CA LYS A 92 38.447 16.135 25.849 1.00 0.00 ATOM 683 CB LYS A 92 37.823 14.872 26.400 1.00 0.00 ATOM 684 CG LYS A 92 37.675 14.913 27.889 1.00 0.00 ATOM 685 CD LYS A 92 37.068 13.642 28.434 1.00 0.00 ATOM 686 CE LYS A 92 36.953 13.711 29.927 1.00 0.00 ATOM 687 NZ LYS A 92 36.460 12.425 30.433 1.00 0.00 ATOM 688 O LYS A 92 40.192 16.981 27.252 1.00 0.00 ATOM 689 C LYS A 92 39.900 16.276 26.294 1.00 0.00 ATOM 690 N VAL A 93 40.817 15.580 25.632 1.00 0.00 ATOM 691 CA VAL A 93 42.235 15.655 25.969 1.00 0.00 ATOM 692 CB VAL A 93 43.075 14.717 25.082 1.00 0.00 ATOM 693 CG1 VAL A 93 44.558 14.879 25.391 1.00 0.00 ATOM 694 CG2 VAL A 93 42.690 13.267 25.326 1.00 0.00 ATOM 695 O VAL A 93 42.195 17.868 25.064 1.00 0.00 ATOM 696 C VAL A 93 42.812 17.055 25.789 1.00 0.00 ENDMDL EXPDTA 2gzvA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2gzvA ATOM 1 N SER A 1 32.462 20.937 30.566 1.00 0.00 ATOM 2 CA SER A 1 31.895 20.569 29.263 1.00 0.00 ATOM 3 CB SER A 1 32.279 19.130 28.907 1.00 0.00 ATOM 4 OG SER A 1 31.850 18.797 27.603 1.00 0.00 ATOM 5 O SER A 1 29.697 20.534 30.294 1.00 0.00 ATOM 6 C SER A 1 30.383 20.703 29.264 1.00 0.00 ATOM 7 N MET A 2 29.900 21.000 28.089 1.00 0.00 ATOM 8 CA MET A 2 28.538 20.792 27.765 1.00 0.00 ATOM 9 CB MET A 2 28.274 21.380 26.377 1.00 0.00 ATOM 10 CG MET A 2 28.554 22.878 26.252 1.00 0.00 ATOM 11 SD MET A 2 28.372 23.461 24.556 1.00 0.00 ATOM 12 CE MET A 2 26.634 23.129 24.313 1.00 0.00 ATOM 13 O MET A 2 29.130 18.458 27.652 1.00 0.00 ATOM 14 C MET A 2 28.238 19.293 27.763 1.00 0.00 ATOM 15 N VAL A 3 26.977 18.979 27.862 1.00 0.00 ATOM 16 CA VAL A 3 26.503 17.629 27.903 1.00 0.00 ATOM 17 CB VAL A 3 25.233 17.649 28.740 1.00 0.00 ATOM 18 CG1 VAL A 3 24.689 16.318 28.851 1.00 0.00 ATOM 19 CG2 VAL A 3 25.517 18.247 30.142 1.00 0.00 ATOM 20 O VAL A 3 25.776 17.893 25.632 1.00 0.00 ATOM 21 C VAL A 3 26.219 17.124 26.453 1.00 0.00 ATOM 22 N PRO A 4 26.475 15.847 26.121 1.00 0.00 ATOM 23 CA PRO A 4 26.120 15.398 24.768 1.00 0.00 ATOM 24 CB PRO A 4 26.627 13.953 24.728 1.00 0.00 ATOM 25 CG PRO A 4 26.689 13.530 26.149 1.00 0.00 ATOM 26 CD PRO A 4 27.046 14.761 26.931 1.00 0.00 ATOM 27 O PRO A 4 23.839 15.411 25.532 1.00 0.00 ATOM 28 C PRO A 4 24.611 15.448 24.568 1.00 0.00 ATOM 29 N GLY A 5 24.198 15.532 23.318 1.00 0.00 ATOM 30 CA GLY A 5 22.786 15.626 23.023 1.00 0.00 ATOM 31 O GLY A 5 23.223 15.209 20.714 1.00 0.00 ATOM 32 C GLY A 5 22.556 15.819 21.543 1.00 0.00 ATOM 33 N LYS A 6 21.573 16.641 21.225 1.00 0.00 ATOM 34 CA LYS A 6 21.214 16.896 19.843 1.00 0.00 ATOM 35 CB LYS A 6 20.222 15.849 19.324 1.00 0.00 ATOM 36 CG LYS A 6 18.832 15.878 19.908 1.00 0.00 ATOM 37 CD LYS A 6 18.006 14.687 19.386 1.00 0.00 ATOM 38 CE LYS A 6 16.541 14.727 19.792 1.00 0.00 ATOM 39 NZ LYS A 6 16.387 14.574 21.256 1.00 0.00 ATOM 40 O LYS A 6 20.142 18.880 20.665 1.00 0.00 ATOM 41 C LYS A 6 20.661 18.296 19.699 1.00 0.00 ATOM 42 N VAL A 7 20.791 18.860 18.510 1.00 0.00 ATOM 43 CA VAL A 7 20.240 20.174 18.237 1.00 0.00 ATOM 44 CB VAL A 7 21.295 21.295 18.398 1.00 0.00 ATOM 45 CG1 VAL A 7 22.498 21.074 17.513 1.00 0.00 ATOM 46 CG2 VAL A 7 20.671 22.675 18.155 1.00 0.00 ATOM 47 O VAL A 7 20.224 19.621 15.909 1.00 0.00 ATOM 48 C VAL A 7 19.649 20.169 16.844 1.00 0.00 ATOM 49 N THR A 8 18.483 20.780 16.720 1.00 0.00 ATOM 50 CA THR A 8 17.812 20.920 15.444 1.00 0.00 ATOM 51 CB THR A 8 16.291 20.698 15.559 1.00 0.00 ATOM 52 CG2 THR A 8 15.628 20.780 14.191 1.00 0.00 ATOM 53 OG1 THR A 8 16.025 19.414 16.142 1.00 0.00 ATOM 54 O THR A 8 17.610 23.298 15.502 1.00 0.00 ATOM 55 C THR A 8 18.078 22.308 14.924 1.00 0.00 ATOM 56 N LEU A 9 18.834 22.374 13.836 1.00 0.00 ATOM 57 CA LEU A 9 19.254 23.638 13.238 1.00 0.00 ATOM 58 CB LEU A 9 20.749 23.590 12.918 1.00 0.00 ATOM 59 CG LEU A 9 21.655 23.476 14.145 1.00 0.00 ATOM 60 CD1 LEU A 9 23.092 23.226 13.746 1.00 0.00 ATOM 61 CD2 LEU A 9 21.565 24.720 15.019 1.00 0.00 ATOM 62 O LEU A 9 18.284 23.024 11.130 1.00 0.00 ATOM 63 C LEU A 9 18.472 23.905 11.959 1.00 0.00 ATOM 64 N GLN A 10 18.020 25.143 11.796 1.00 0.00 ATOM 65 CA GLN A 10 17.323 25.585 10.592 1.00 0.00 ATOM 66 CB GLN A 10 16.547 26.875 10.887 1.00 0.00 ATOM 67 CG GLN A 10 15.328 26.706 11.794 1.00 0.00 ATOM 68 CD GLN A 10 14.101 26.184 11.059 1.00 0.00 ATOM 69 OE1 GLN A 10 14.121 25.992 9.841 1.00 0.00 ATOM 70 NE2 GLN A 10 13.027 25.951 11.799 1.00 0.00 ATOM 71 O GLN A 10 19.152 26.736 9.628 1.00 0.00 ATOM 72 C GLN A 10 18.311 25.881 9.469 1.00 0.00 ATOM 73 N LYS A 11 18.150 25.252 8.315 1.00 0.00 ATOM 74 CA LYS A 11 18.992 25.532 7.156 1.00 0.00 ATOM 75 CB LYS A 11 18.577 24.662 5.971 1.00 0.00 ATOM 76 CG LYS A 11 18.779 23.170 6.126 1.00 0.00 ATOM 77 CD LYS A 11 20.234 22.779 5.988 1.00 0.00 ATOM 78 CE LYS A 11 20.392 21.266 5.907 1.00 0.00 ATOM 79 NZ LYS A 11 20.329 20.711 4.530 1.00 0.00 ATOM 80 O LYS A 11 17.750 27.543 6.677 1.00 0.00 ATOM 81 C LYS A 11 18.855 26.993 6.741 1.00 0.00 ATOM 82 N ASP A 12 19.975 27.613 6.409 1.00 0.00 ATOM 83 CA ASP A 12 19.947 28.973 5.938 1.00 0.00 ATOM 84 CB ASP A 12 21.237 29.693 6.330 1.00 0.00 ATOM 85 CG ASP A 12 22.456 29.286 5.508 1.00 0.00 ATOM 86 OD1 ASP A 12 22.343 28.616 4.464 1.00 0.00 ATOM 87 OD2 ASP A 12 23.561 29.696 5.916 1.00 0.00 ATOM 88 O ASP A 12 19.294 28.015 3.833 1.00 0.00 ATOM 89 C ASP A 12 19.607 29.023 4.450 1.00 0.00 ATOM 90 N ALA A 13 19.640 30.221 3.881 1.00 0.00 ATOM 91 CA ALA A 13 19.204 30.420 2.505 1.00 0.00 ATOM 92 CB ALA A 13 18.975 31.902 2.234 1.00 0.00 ATOM 93 O ALA A 13 19.836 29.773 0.292 1.00 0.00 ATOM 94 C ALA A 13 20.169 29.835 1.467 1.00 0.00 ATOM 95 N GLN A 14 21.372 29.456 1.887 1.00 0.00 ATOM 96 CA GLN A 14 22.309 28.708 1.053 1.00 0.00 ATOM 97 CB GLN A 14 23.737 29.205 1.298 1.00 0.00 ATOM 98 CG GLN A 14 23.947 30.667 0.937 1.00 0.00 ATOM 99 O GLN A 14 23.098 26.457 0.884 1.00 0.00 ATOM 100 C GLN A 14 22.223 27.201 1.315 1.00 0.00 ATOM 101 N ASN A 15 21.170 26.753 2.003 1.00 0.00 ATOM 102 CA ASN A 15 20.991 25.349 2.369 1.00 0.00 ATOM 103 CB ASN A 15 20.753 24.456 1.143 1.00 0.00 ATOM 104 CG ASN A 15 20.457 23.025 1.538 1.00 0.00 ATOM 105 ND2 ASN A 15 21.018 22.064 0.811 1.00 0.00 ATOM 106 OD1 ASN A 15 19.743 22.793 2.512 1.00 0.00 ATOM 107 O ASN A 15 22.666 23.713 2.940 1.00 0.00 ATOM 108 C ASN A 15 22.160 24.811 3.188 1.00 0.00 ATOM 109 N LEU A 16 22.590 25.604 4.157 1.00 0.00 ATOM 110 CA LEU A 16 23.670 25.220 5.042 1.00 0.00 ATOM 111 CB LEU A 16 24.885 26.109 4.810 1.00 0.00 ATOM 112 CG LEU A 16 25.588 25.973 3.462 1.00 0.00 ATOM 113 CD1 LEU A 16 26.648 27.058 3.294 1.00 0.00 ATOM 114 CD2 LEU A 16 26.219 24.601 3.306 1.00 0.00 ATOM 115 O LEU A 16 22.489 26.268 6.850 1.00 0.00 ATOM 116 C LEU A 16 23.254 25.363 6.490 1.00 0.00 ATOM 117 N ILE A 17 23.775 24.482 7.331 1.00 0.00 ATOM 118 CA ILE A 17 23.732 24.706 8.769 1.00 0.00 ATOM 119 CB ILE A 17 23.428 23.434 9.577 1.00 0.00 ATOM 120 CG1 ILE A 17 24.484 22.346 9.360 1.00 0.00 ATOM 121 CG2 ILE A 17 22.030 22.929 9.255 1.00 0.00 ATOM 122 CD1 ILE A 17 24.301 21.150 10.284 1.00 0.00 ATOM 123 O ILE A 17 24.906 26.011 10.339 1.00 0.00 ATOM 124 C ILE A 17 24.973 25.386 9.293 1.00 0.00 ATOM 125 N GLY A 18 26.097 25.290 8.591 1.00 0.00 ATOM 126 CA GLY A 18 27.299 26.012 8.976 1.00 0.00 ATOM 127 O GLY A 18 29.106 25.753 10.488 1.00 0.00 ATOM 128 C GLY A 18 28.380 25.206 9.665 1.00 0.00 ATOM 129 N ILE A 19 28.503 23.925 9.332 1.00 0.00 ATOM 130 CA ILE A 19 29.594 23.118 9.842 1.00 0.00 ATOM 131 CB ILE A 19 29.128 22.055 10.880 1.00 0.00 ATOM 132 CG1 ILE A 19 28.205 21.001 10.266 1.00 0.00 ATOM 133 CG2 ILE A 19 28.528 22.745 12.094 1.00 0.00 ATOM 134 CD1 ILE A 19 27.803 19.897 11.240 1.00 0.00 ATOM 135 O ILE A 19 29.749 22.189 7.656 1.00 0.00 ATOM 136 C ILE A 19 30.317 22.424 8.720 1.00 0.00 ATOM 137 N SER A 20 31.584 22.134 8.953 1.00 0.00 ATOM 138 CA SER A 20 32.236 21.170 8.104 1.00 0.00 ATOM 139 CB SER A 20 33.511 21.701 7.490 1.00 0.00 ATOM 140 OG SER A 20 34.370 22.116 8.514 1.00 0.00 ATOM 141 O SER A 20 32.715 19.959 10.117 1.00 0.00 ATOM 142 C SER A 20 32.497 19.922 8.902 1.00 0.00 ATOM 143 N ILE A 21 32.416 18.804 8.204 1.00 0.00 ATOM 144 CA ILE A 21 32.512 17.453 8.743 1.00 0.00 ATOM 145 CB ILE A 21 31.358 16.588 8.189 1.00 0.00 ATOM 146 CG1 ILE A 21 30.007 17.208 8.551 1.00 0.00 ATOM 147 CG2 ILE A 21 31.466 15.147 8.687 1.00 0.00 ATOM 148 CD1 ILE A 21 28.844 16.502 7.929 1.00 0.00 ATOM 149 O ILE A 21 34.056 16.821 7.038 1.00 0.00 ATOM 150 C ILE A 21 33.792 16.810 8.250 1.00 0.00 ATOM 151 N GLY A 22 34.530 16.203 9.144 1.00 0.00 ATOM 152 CA GLY A 22 35.755 15.550 8.816 1.00 0.00 ATOM 153 O GLY A 22 34.858 13.683 10.020 1.00 0.00 ATOM 154 C GLY A 22 35.849 14.247 9.547 1.00 0.00 ATOM 155 N GLY A 23 37.073 13.761 9.639 1.00 0.00 ATOM 156 CA GLY A 23 37.326 12.444 10.193 1.00 0.00 ATOM 157 O GLY A 23 37.767 11.643 7.979 1.00 0.00 ATOM 158 C GLY A 23 37.337 11.389 9.109 1.00 0.00 ATOM 159 N GLY A 24 36.898 10.184 9.457 1.00 0.00 ATOM 160 CA GLY A 24 36.915 9.089 8.513 1.00 0.00 ATOM 161 O GLY A 24 38.559 8.138 7.068 1.00 0.00 ATOM 162 C GLY A 24 38.329 8.657 8.160 1.00 0.00 ATOM 163 N ALA A 25 39.279 8.861 9.076 1.00 0.00 ATOM 164 CA ALA A 25 40.657 8.408 8.864 1.00 0.00 ATOM 165 CB ALA A 25 41.556 8.896 9.987 1.00 0.00 ATOM 166 O ALA A 25 39.783 6.201 9.222 1.00 0.00 ATOM 167 C ALA A 25 40.707 6.888 8.779 1.00 0.00 ATOM 168 N GLN 26 41.788 6.367 8.204 1.00 0.00 ATOM 169 CA GLN 26 41.993 4.926 8.115 1.00 0.00 ATOM 170 C PRO 29 34.424 6.699 11.812 1.00 0.00 ATOM 171 N CYS A 30 34.861 7.163 13.014 1.00 0.00 ATOM 172 CA CYS A 30 34.139 8.261 13.662 1.00 0.00 ATOM 173 CB CYS A 30 34.647 8.437 15.100 1.00 0.00 ATOM 174 SG CYS A 30 34.307 6.998 16.161 1.00 0.00 ATOM 175 O CYS A 30 35.212 9.879 12.251 1.00 0.00 ATOM 176 C CYS A 30 34.217 9.579 12.871 1.00 0.00 ATOM 177 N LEU A 31 33.150 10.366 12.923 1.00 0.00 ATOM 178 CA LEU A 31 33.054 11.635 12.195 1.00 0.00 ATOM 179 CB LEU A 31 31.810 11.635 11.307 1.00 0.00 ATOM 180 CG LEU A 31 31.753 10.666 10.113 1.00 0.00 ATOM 181 CD1 LEU A 31 30.578 11.039 9.221 1.00 0.00 ATOM 182 CD2 LEU A 31 33.046 10.586 9.295 1.00 0.00 ATOM 183 O LEU A 31 32.387 12.607 14.275 1.00 0.00 ATOM 184 C LEU A 31 32.964 12.768 13.200 1.00 0.00 ATOM 185 N TYR A 32 33.525 13.903 12.834 1.00 0.00 ATOM 186 CA TYR A 32 33.665 15.032 13.727 1.00 0.00 ATOM 187 CB TYR A 32 35.102 15.118 14.233 1.00 0.00 ATOM 188 CG TYR A 32 35.569 13.957 15.066 1.00 0.00 ATOM 189 CD1 TYR A 32 35.387 13.955 16.443 1.00 0.00 ATOM 190 CD2 TYR A 32 36.215 12.876 14.490 1.00 0.00 ATOM 191 CE1 TYR A 32 35.842 12.907 17.229 1.00 0.00 ATOM 192 CE2 TYR A 32 36.666 11.810 15.271 1.00 0.00 ATOM 193 CZ TYR A 32 36.475 11.842 16.645 1.00 0.00 ATOM 194 OH TYR A 32 36.903 10.813 17.446 1.00 0.00 ATOM 195 O TYR A 32 33.557 16.465 11.795 1.00 0.00 ATOM 196 C TYR A 32 33.363 16.338 13.014 1.00 0.00 ATOM 197 N ILE A 33 32.946 17.323 13.790 1.00 0.00 ATOM 198 CA ILE A 33 32.874 18.682 13.315 1.00 0.00 ATOM 199 CB ILE A 33 31.975 19.516 14.241 1.00 0.00 ATOM 200 CG1 ILE A 33 30.546 18.956 14.202 1.00 0.00 ATOM 201 CG2 ILE A 33 32.006 20.988 13.828 1.00 0.00 ATOM 202 CD1 ILE A 33 29.560 19.676 15.122 1.00 0.00 ATOM 203 O ILE A 33 35.011 19.233 14.262 1.00 0.00 ATOM 204 C ILE A 33 34.287 19.262 13.274 1.00 0.00 ATOM 205 N VAL A 34 34.679 19.767 12.117 1.00 0.00 ATOM 206 CA VAL A 34 35.983 20.387 11.890 1.00 0.00 ATOM 207 CB VAL A 34 36.453 20.110 10.413 1.00 0.00 ATOM 208 CG1 VAL A 34 37.667 20.943 10.058 1.00 0.00 ATOM 209 CG2 VAL A 34 36.725 18.611 10.194 1.00 0.00 ATOM 210 O VAL A 34 36.883 22.444 12.655 1.00 0.00 ATOM 211 C VAL A 34 35.950 21.882 12.107 1.00 0.00 ATOM 212 N GLN A 35 34.869 22.524 11.680 1.00 0.00 ATOM 213 CA GLN A 35 34.743 23.973 11.749 1.00 0.00 ATOM 214 CB GLN A 35 35.333 24.614 10.492 1.00 0.00 ATOM 215 CG GLN A 35 35.374 26.142 10.521 1.00 0.00 ATOM 216 CD GLN A 35 36.216 26.740 9.418 1.00 0.00 ATOM 217 OE1 GLN A 35 36.752 26.032 8.552 1.00 0.00 ATOM 218 NE2 GLN A 35 36.329 28.064 9.432 1.00 0.00 ATOM 219 O GLN A 35 32.412 23.686 11.299 1.00 0.00 ATOM 220 C GLN A 35 33.275 24.341 11.878 1.00 0.00 ATOM 221 N VAL A 36 33.017 25.387 12.649 1.00 0.00 ATOM 222 CA VAL A 36 31.719 26.036 12.736 1.00 0.00 ATOM 223 CB VAL A 36 31.231 26.160 14.191 1.00 0.00 ATOM 224 CG1 VAL A 36 29.893 26.878 14.238 1.00 0.00 ATOM 225 CG2 VAL A 36 31.125 24.772 14.840 1.00 0.00 ATOM 226 O VAL A 36 32.760 28.190 12.529 1.00 0.00 ATOM 227 C VAL A 36 31.910 27.410 12.104 1.00 0.00 ATOM 228 N PHE A 37 31.133 27.699 11.069 1.00 0.00 ATOM 229 CA PHE A 37 31.311 28.906 10.268 1.00 0.00 ATOM 230 CB PHE A 37 30.879 28.641 8.825 1.00 0.00 ATOM 231 CG PHE A 37 31.818 27.732 8.105 1.00 0.00 ATOM 232 CD1 PHE A 37 32.887 28.247 7.395 1.00 0.00 ATOM 233 CD2 PHE A 37 31.681 26.362 8.186 1.00 0.00 ATOM 234 CE1 PHE A 37 33.782 27.403 6.758 1.00 0.00 ATOM 235 CE2 PHE A 37 32.564 25.523 7.556 1.00 0.00 ATOM 236 CZ PHE A 37 33.616 26.037 6.838 1.00 0.00 ATOM 237 O PHE A 37 29.404 29.967 11.296 1.00 0.00 ATOM 238 C PHE A 37 30.553 30.081 10.854 1.00 0.00 ATOM 239 N ASP A 38 31.194 31.238 10.822 1.00 0.00 ATOM 240 CA ASP A 38 30.599 32.456 11.353 1.00 0.00 ATOM 241 CB ASP A 38 31.551 33.635 11.171 1.00 0.00 ATOM 242 CG ASP A 38 32.810 33.529 12.018 1.00 0.00 ATOM 243 OD1 ASP A 38 32.863 32.722 12.971 1.00 0.00 ATOM 244 OD2 ASP A 38 33.755 34.300 11.737 1.00 0.00 ATOM 245 O ASP A 38 29.108 32.557 9.474 1.00 0.00 ATOM 246 C ASP A 38 29.272 32.801 10.669 1.00 0.00 ATOM 247 N ASN A 39 28.313 33.440 11.322 1.00 0.00 ATOM 248 CA ASN A 39 27.101 33.892 10.589 1.00 0.00 ATOM 249 CB ASN A 39 27.447 34.956 9.540 1.00 0.00 ATOM 250 CG ASN A 39 28.326 36.032 10.095 1.00 0.00 ATOM 251 ND2 ASN A 39 29.445 36.283 9.427 1.00 0.00 ATOM 252 OD1 ASN A 39 28.018 36.623 11.126 1.00 0.00 ATOM 253 O ASN A 39 25.774 32.910 8.834 1.00 0.00 ATOM 254 C ASN A 39 26.329 32.757 9.932 1.00 0.00 ATOM 255 N THR A 40 26.286 31.624 10.630 1.00 0.00 ATOM 256 CA THR A 40 25.477 30.501 10.214 1.00 0.00 ATOM 257 CB THR A 40 26.320 29.331 9.722 1.00 0.00 ATOM 258 CG2 THR A 40 27.286 29.766 8.635 1.00 0.00 ATOM 259 OG1 THR A 40 27.042 28.770 10.828 1.00 0.00 ATOM 260 O THR A 40 24.854 30.315 12.530 1.00 0.00 ATOM 261 C THR A 40 24.599 29.996 11.360 1.00 0.00 ATOM 262 N PRO A 41 23.568 29.192 11.060 1.00 0.00 ATOM 263 CA PRO A 41 22.730 28.655 12.138 1.00 0.00 ATOM 264 CB PRO A 41 21.791 27.690 11.390 1.00 0.00 ATOM 265 CG PRO A 41 21.651 28.340 10.031 1.00 0.00 ATOM 266 CD PRO A 41 23.044 28.824 9.731 1.00 0.00 ATOM 267 O PRO A 41 23.234 28.193 14.437 1.00 0.00 ATOM 268 C PRO A 41 23.524 27.972 13.256 1.00 0.00 ATOM 269 N ALA A 42 24.517 27.163 12.911 1.00 0.00 ATOM 270 CA ALA A 42 25.291 26.449 13.925 1.00 0.00 ATOM 271 CB ALA A 42 26.294 25.507 13.271 1.00 0.00 ATOM 272 O ALA A 42 26.111 27.180 16.051 1.00 0.00 ATOM 273 C ALA A 42 26.011 27.420 14.853 1.00 0.00 ATOM 274 N ALA A 43 26.556 28.492 14.282 1.00 0.00 ATOM 275 CA ALA A 43 27.227 29.527 15.071 1.00 0.00 ATOM 276 CB ALA A 43 28.015 30.467 14.169 1.00 0.00 ATOM 277 O ALA A 43 26.517 30.577 17.095 1.00 0.00 ATOM 278 C ALA A 43 26.242 30.315 15.923 1.00 0.00 ATOM 279 N LEU A 44 25.113 30.696 15.338 1.00 0.00 ATOM 280 CA LEU A 44 24.116 31.479 16.063 1.00 0.00 ATOM 281 CB LEU A 44 22.906 31.795 15.181 1.00 0.00 ATOM 282 CG LEU A 44 23.140 32.762 14.014 1.00 0.00 ATOM 283 CD1 LEU A 44 21.956 32.762 13.078 1.00 0.00 ATOM 284 CD2 LEU A 44 23.393 34.166 14.537 1.00 0.00 ATOM 285 O LEU A 44 23.369 31.328 18.328 1.00 0.00 ATOM 286 C LEU A 44 23.644 30.724 17.295 1.00 0.00 ATOM 287 N ASP A 45 23.524 29.414 17.178 1.00 0.00 ATOM 288 CA ASP A 45 22.972 28.597 18.246 1.00 0.00 ATOM 289 CB ASP A 45 22.468 27.291 17.663 1.00 0.00 ATOM 290 CG ASP A 45 22.134 26.300 18.724 1.00 0.00 ATOM 291 OD1 ASP A 45 21.099 26.485 19.384 1.00 0.00 ATOM 292 OD2 ASP A 45 22.934 25.376 18.922 1.00 0.00 ATOM 293 O ASP A 45 23.605 28.211 20.521 1.00 0.00 ATOM 294 C ASP A 45 23.979 28.343 19.355 1.00 0.00 ATOM 295 N GLY A 46 25.246 28.235 19.001 1.00 0.00 ATOM 296 CA GLY A 46 26.300 28.151 19.993 1.00 0.00 ATOM 297 O GLY A 46 27.435 26.691 21.473 1.00 0.00 ATOM 298 C GLY A 46 26.540 26.797 20.642 1.00 0.00 ATOM 299 N THR A 47 25.796 25.760 20.274 1.00 0.00 ATOM 300 CA THR A 47 25.897 24.465 20.942 1.00 0.00 ATOM 301 CB THR A 47 24.590 23.643 20.742 1.00 0.00 ATOM 302 CG2 THR A 47 24.668 22.314 21.475 1.00 0.00 ATOM 303 OG1 THR A 47 23.461 24.389 21.212 1.00 0.00 ATOM 304 O THR A 47 27.950 23.241 21.185 1.00 0.00 ATOM 305 C THR A 47 27.090 23.673 20.420 1.00 0.00 ATOM 306 N VAL A 48 27.141 23.467 19.114 1.00 0.00 ATOM 307 CA VAL A 48 28.174 22.600 18.554 1.00 0.00 ATOM 308 CB VAL A 48 27.748 21.947 17.232 1.00 0.00 ATOM 309 CG1 VAL A 48 26.475 21.134 17.399 1.00 0.00 ATOM 310 CG2 VAL A 48 27.599 22.982 16.119 1.00 0.00 ATOM 311 O VAL A 48 29.543 24.570 18.298 1.00 0.00 ATOM 312 C VAL A 48 29.501 23.340 18.395 1.00 0.00 ATOM 313 N ALA A 49 30.580 22.568 18.362 1.00 0.00 ATOM 314 CA ALA A 49 31.929 23.108 18.342 1.00 0.00 ATOM 315 CB ALA A 49 32.474 23.269 19.759 1.00 0.00 ATOM 316 O ALA A 49 32.625 20.985 17.501 1.00 0.00 ATOM 317 C ALA A 49 32.840 22.189 17.562 1.00 0.00 ATOM 318 N ALA A 50 33.913 22.769 17.030 1.00 0.00 ATOM 319 CA ALA A 50 34.989 21.975 16.450 1.00 0.00 ATOM 320 CB ALA A 50 36.180 22.853 16.068 1.00 0.00 ATOM 321 O ALA A 50 35.629 21.205 18.633 1.00 0.00 ATOM 322 C ALA A 50 35.434 20.915 17.454 1.00 0.00 ATOM 323 N GLY A 51 35.606 19.693 16.963 1.00 0.00 ATOM 324 CA GLY A 51 36.009 18.561 17.768 1.00 0.00 ATOM 325 O GLY A 51 35.092 16.559 18.661 1.00 0.00 ATOM 326 C GLY A 51 34.867 17.691 18.224 1.00 0.00 ATOM 327 N ASP A 52 33.630 18.185 18.162 1.00 0.00 ATOM 328 CA ASP A 52 32.525 17.353 18.587 1.00 0.00 ATOM 329 CB ASP A 52 31.244 18.166 18.645 1.00 0.00 ATOM 330 CG ASP A 52 31.256 19.229 19.741 1.00 0.00 ATOM 331 OD1 ASP A 52 32.157 19.219 20.616 1.00 0.00 ATOM 332 OD2 ASP A 52 30.340 20.064 19.704 1.00 0.00 ATOM 333 O ASP A 52 32.415 16.323 16.421 1.00 0.00 ATOM 334 C ASP A 52 32.347 16.175 17.636 1.00 0.00 ATOM 335 N GLU A 53 32.071 15.009 18.205 1.00 0.00 ATOM 336 CA GLU A 53 31.752 13.831 17.434 1.00 0.00 ATOM 337 CB GLU A 53 31.972 12.577 18.280 1.00 0.00 ATOM 338 CG GLU A 53 31.771 11.293 17.485 1.00 0.00 ATOM 339 CD GLU A 53 31.812 10.039 18.329 1.00 0.00 ATOM 340 OE1 GLU A 53 31.901 10.125 19.576 1.00 0.00 ATOM 341 OE2 GLU A 53 31.730 8.945 17.734 1.00 0.00 ATOM 342 O GLU A 53 29.439 14.215 17.794 1.00 0.00 ATOM 343 C GLU A 53 30.309 13.896 16.991 1.00 0.00 ATOM 344 N ILE A 54 30.053 13.585 15.724 1.00 0.00 ATOM 345 CA ILE A 54 28.701 13.450 15.226 1.00 0.00 ATOM 346 CB ILE A 54 28.601 13.886 13.757 1.00 0.00 ATOM 347 CG1 ILE A 54 29.014 15.356 13.608 1.00 0.00 ATOM 348 CG2 ILE A 54 27.187 13.639 13.210 1.00 0.00 ATOM 349 CD1 ILE A 54 29.199 15.797 12.180 1.00 0.00 ATOM 350 O ILE A 54 29.006 11.120 14.841 1.00 0.00 ATOM 351 C ILE A 54 28.311 11.999 15.353 1.00 0.00 ATOM 352 N THR A 55 27.196 11.740 16.017 1.00 0.00 ATOM 353 CA THR A 55 26.756 10.363 16.225 1.00 0.00 ATOM 354 CB THR A 55 26.597 10.091 17.700 1.00 0.00 ATOM 355 CG2 THR A 55 27.942 10.233 18.412 1.00 0.00 ATOM 356 OG1 THR A 55 25.634 11.006 18.253 1.00 0.00 ATOM 357 O THR A 55 25.100 8.850 15.371 1.00 0.00 ATOM 358 C THR A 55 25.451 10.028 15.513 1.00 0.00 ATOM 359 N GLY A 56 24.732 11.031 15.039 1.00 0.00 ATOM 360 CA GLY A 56 23.458 10.755 14.421 1.00 0.00 ATOM 361 O GLY A 56 23.427 13.092 13.914 1.00 0.00 ATOM 362 C GLY A 56 22.964 11.967 13.678 1.00 0.00 ATOM 363 N VAL A 57 21.990 11.728 12.814 1.00 0.00 ATOM 364 CA VAL A 57 21.335 12.764 12.047 1.00 0.00 ATOM 365 CB VAL A 57 21.880 12.819 10.596 1.00 0.00 ATOM 366 CG1 VAL A 57 21.116 13.858 9.783 1.00 0.00 ATOM 367 CG2 VAL A 57 23.363 13.158 10.603 1.00 0.00 ATOM 368 O VAL A 57 19.463 11.321 11.641 1.00 0.00 ATOM 369 C VAL A 57 19.852 12.434 12.014 1.00 0.00 ATOM 370 N ASN A 58 19.019 13.386 12.403 1.00 0.00 ATOM 371 CA ASN A 58 17.570 13.198 12.349 1.00 0.00 ATOM 372 CB ASN A 58 17.036 13.308 10.917 1.00 0.00 ATOM 373 CG ASN A 58 16.810 14.722 10.500 1.00 0.00 ATOM 374 ND2 ASN A 58 16.471 14.887 9.238 1.00 0.00 ATOM 375 OD1 ASN A 58 16.934 15.668 11.287 1.00 0.00 ATOM 376 O ASN A 58 16.336 11.131 12.430 1.00 0.00 ATOM 377 C ASN A 58 17.125 11.888 12.998 1.00 0.00 ATOM 378 N GLY A 59 17.621 11.632 14.201 1.00 0.00 ATOM 379 CA GLY A 59 17.224 10.454 14.975 1.00 0.00 ATOM 380 O GLY A 59 17.832 8.207 15.392 1.00 0.00 ATOM 381 C GLY A 59 17.936 9.170 14.632 1.00 0.00 ATOM 382 N ARG A 60 18.642 9.128 13.504 1.00 0.00 ATOM 383 CA ARG A 60 19.247 7.909 12.994 1.00 0.00 ATOM 384 CB ARG A 60 18.965 7.779 11.493 1.00 0.00 ATOM 385 CG ARG A 60 19.462 6.493 10.841 1.00 0.00 ATOM 386 CD ARG A 60 19.296 6.504 9.331 1.00 0.00 ATOM 387 NE ARG A 60 17.901 6.272 8.980 1.00 0.00 ATOM 388 CZ ARG A 60 17.417 5.196 8.338 1.00 0.00 ATOM 389 NH1 ARG A 60 18.201 4.202 7.906 1.00 0.00 ATOM 390 NH2 ARG A 60 16.114 5.118 8.121 1.00 0.00 ATOM 391 O ARG A 60 21.459 8.862 13.037 1.00 0.00 ATOM 392 C ARG A 60 20.734 7.885 13.257 1.00 0.00 ATOM 393 N SER A 61 21.215 6.740 13.707 1.00 0.00 ATOM 394 CA SER A 61 22.640 6.554 13.859 1.00 0.00 ATOM 395 CB SER A 61 22.900 5.188 14.455 1.00 0.00 ATOM 396 OG SER A 61 24.281 5.009 14.649 1.00 0.00 ATOM 397 O SER A 61 22.840 6.331 11.474 1.00 0.00 ATOM 398 C SER A 61 23.361 6.676 12.526 1.00 0.00 ATOM 399 N ILE A 62 24.592 7.155 12.591 1.00 0.00 ATOM 400 CA ILE A 62 25.420 7.149 11.382 1.00 0.00 ATOM 401 CB ILE A 62 26.034 8.524 11.066 1.00 0.00 ATOM 402 CG1 ILE A 62 26.901 9.032 12.242 1.00 0.00 ATOM 403 CG2 ILE A 62 24.931 9.495 10.728 1.00 0.00 ATOM 404 CD1 ILE A 62 27.878 10.126 11.876 1.00 0.00 ATOM 405 O ILE A 62 27.419 6.063 10.623 1.00 0.00 ATOM 406 C ILE A 62 26.511 6.086 11.443 1.00 0.00 ATOM 407 N LYS A 63 26.404 5.162 12.393 1.00 0.00 ATOM 408 CA LYS A 63 27.381 4.079 12.485 1.00 0.00 ATOM 409 CB LYS A 63 27.034 3.158 13.660 1.00 0.00 ATOM 410 CG LYS A 63 28.107 2.189 14.050 1.00 0.00 ATOM 411 CD LYS A 63 27.622 1.254 15.131 1.00 0.00 ATOM 412 O LYS A 63 26.362 2.993 10.606 1.00 0.00 ATOM 413 C LYS A 63 27.409 3.300 11.160 1.00 0.00 ATOM 414 N GLY A 64 28.603 3.031 10.636 1.00 0.00 ATOM 415 CA GLY A 64 28.746 2.319 9.363 1.00 0.00 ATOM 416 O GLY A 64 28.606 2.622 6.988 1.00 0.00 ATOM 417 C GLY A 64 28.547 3.156 8.102 1.00 0.00 ATOM 418 N LYS A 65 28.315 4.458 8.257 1.00 0.00 ATOM 419 CA LYS A 65 28.216 5.346 7.103 1.00 0.00 ATOM 420 CB LYS A 65 27.117 6.385 7.303 1.00 0.00 ATOM 421 CG LYS A 65 25.736 5.790 7.525 1.00 0.00 ATOM 422 CD LYS A 65 25.297 4.877 6.387 1.00 0.00 ATOM 423 O LYS A 65 30.251 6.344 7.859 1.00 0.00 ATOM 424 C LYS A 65 29.537 6.045 6.903 1.00 0.00 ATOM 425 N THR A 66 29.867 6.324 5.652 1.00 0.00 ATOM 426 CA THR A 66 31.094 7.032 5.388 1.00 0.00 ATOM 427 CB THR A 66 31.586 6.829 3.972 1.00 0.00 ATOM 428 CG2 THR A 66 31.788 5.334 3.658 1.00 0.00 ATOM 429 OG1 THR A 66 30.620 7.394 3.092 1.00 0.00 ATOM 430 O THR A 66 29.742 9.046 5.641 1.00 0.00 ATOM 431 C THR A 66 30.867 8.523 5.605 1.00 0.00 ATOM 432 N LYS A 67 31.976 9.212 5.721 1.00 0.00 ATOM 433 CA LYS A 67 31.966 10.641 5.835 1.00 0.00 ATOM 434 CB LYS A 67 33.406 11.090 5.804 1.00 0.00 ATOM 435 CG LYS A 67 33.572 12.568 5.848 1.00 0.00 ATOM 436 CD LYS A 67 35.039 12.962 6.089 1.00 0.00 ATOM 437 CE LYS A 67 36.015 12.369 5.103 1.00 0.00 ATOM 438 NZ LYS A 67 37.430 12.711 5.433 1.00 0.00 ATOM 439 O LYS A 67 30.298 12.207 4.998 1.00 0.00 ATOM 440 C LYS A 67 31.144 11.338 4.730 1.00 0.00 ATOM 441 N VAL A 68 31.380 10.968 3.483 1.00 0.00 ATOM 442 CA VAL A 68 30.639 11.588 2.401 1.00 0.00 ATOM 443 CB VAL A 68 31.285 11.288 1.027 1.00 0.00 ATOM 444 CG1 VAL A 68 31.162 9.805 0.638 1.00 0.00 ATOM 445 CG2 VAL A 68 30.739 12.245 -0.030 1.00 0.00 ATOM 446 O VAL A 68 28.299 12.025 2.100 1.00 0.00 ATOM 447 C VAL A 68 29.158 11.212 2.430 1.00 0.00 ATOM 448 N GLU A 69 28.842 9.986 2.831 1.00 0.00 ATOM 449 CA GLU A 69 27.438 9.607 2.960 1.00 0.00 ATOM 450 CB GLU A 69 27.331 8.145 3.381 1.00 0.00 ATOM 451 CG GLU A 69 27.600 7.203 2.231 1.00 0.00 ATOM 452 CD GLU A 69 27.637 5.740 2.628 1.00 0.00 ATOM 453 OE1 GLU A 69 27.997 5.411 3.778 1.00 0.00 ATOM 454 OE2 GLU A 69 27.326 4.899 1.756 1.00 0.00 ATOM 455 O GLU A 69 25.552 10.908 3.715 1.00 0.00 ATOM 456 C GLU A 69 26.695 10.491 3.950 1.00 0.00 ATOM 457 N VAL A 70 27.340 10.760 5.076 1.00 0.00 ATOM 458 CA VAL A 70 26.716 11.583 6.100 1.00 0.00 ATOM 459 CB VAL A 70 27.492 11.487 7.406 1.00 0.00 ATOM 460 CG1 VAL A 70 26.923 12.460 8.448 1.00 0.00 ATOM 461 CG2 VAL A 70 27.456 10.061 7.932 1.00 0.00 ATOM 462 O VAL A 70 25.550 13.656 5.858 1.00 0.00 ATOM 463 C VAL A 70 26.573 13.024 5.625 1.00 0.00 ATOM 464 N ALA A 71 27.591 13.535 4.946 1.00 0.00 ATOM 465 CA ALA A 71 27.516 14.887 4.410 1.00 0.00 ATOM 466 CB ALA A 71 28.838 15.281 3.746 1.00 0.00 ATOM 467 O ALA A 71 25.586 15.950 3.483 1.00 0.00 ATOM 468 C ALA A 71 26.362 15.001 3.416 1.00 0.00 ATOM 469 N LYS A 72 26.241 14.036 2.506 1.00 0.00 ATOM 470 CA LYS A 72 25.171 14.060 1.497 1.00 0.00 ATOM 471 CB LYS A 72 25.299 12.895 0.510 1.00 0.00 ATOM 472 CG LYS A 72 26.419 13.051 -0.513 1.00 0.00 ATOM 473 CD LYS A 72 26.637 11.788 -1.335 1.00 0.00 ATOM 474 CE LYS A 72 25.392 11.360 -2.091 1.00 0.00 ATOM 475 O LYS A 72 22.870 14.681 1.730 1.00 0.00 ATOM 476 C LYS A 72 23.808 14.007 2.161 1.00 0.00 ATOM 477 N MET A 73 23.706 13.231 3.240 1.00 0.00 ATOM 478 CA MET A 73 22.461 13.093 3.990 1.00 0.00 ATOM 479 CB MET A 73 22.653 12.079 5.117 1.00 0.00 ATOM 480 CG MET A 73 21.431 11.709 5.925 1.00 0.00 ATOM 481 SD MET A 73 21.885 10.756 7.399 1.00 0.00 ATOM 482 CE MET A 73 23.092 9.575 6.761 1.00 0.00 ATOM 483 O MET A 73 20.894 14.844 4.460 1.00 0.00 ATOM 484 C MET A 73 22.048 14.425 4.589 1.00 0.00 ATOM 485 N ILE A 74 22.976 15.082 5.286 1.00 0.00 ATOM 486 CA ILE A 74 22.685 16.356 5.921 1.00 0.00 ATOM 487 CB ILE A 74 23.883 16.834 6.785 1.00 0.00 ATOM 488 CG1 ILE A 74 24.093 15.904 7.995 1.00 0.00 ATOM 489 CG2 ILE A 74 23.675 18.265 7.273 1.00 0.00 ATOM 490 CD1 ILE A 74 25.409 16.113 8.690 1.00 0.00 ATOM 491 O ILE A 74 21.343 18.144 5.055 1.00 0.00 ATOM 492 C ILE A 74 22.308 17.392 4.868 1.00 0.00 ATOM 493 N GLN A 75 23.056 17.439 3.762 1.00 0.00 ATOM 494 CA GLN A 75 22.815 18.451 2.724 1.00 0.00 ATOM 495 CB GLN A 75 23.897 18.399 1.637 1.00 0.00 ATOM 496 CG GLN A 75 23.693 19.436 0.533 1.00 0.00 ATOM 497 CD GLN A 75 24.594 19.236 -0.653 1.00 0.00 ATOM 498 OE1 GLN A 75 24.637 18.153 -1.249 1.00 0.00 ATOM 499 NE2 GLN A 75 25.309 20.293 -1.029 1.00 0.00 ATOM 500 O GLN A 75 20.778 19.276 1.783 1.00 0.00 ATOM 501 C GLN A 75 21.437 18.290 2.100 1.00 0.00 ATOM 502 N GLU A 76 21.005 17.042 1.936 1.00 0.00 ATOM 503 CA GLU A 76 19.757 16.748 1.251 1.00 0.00 ATOM 504 CB GLU A 76 19.638 15.240 0.989 1.00 0.00 ATOM 505 CG GLU A 76 18.423 14.827 0.149 1.00 0.00 ATOM 506 CD GLU A 76 17.123 14.752 0.942 1.00 0.00 ATOM 507 OE1 GLU A 76 17.162 14.378 2.133 1.00 0.00 ATOM 508 OE2 GLU A 76 16.055 15.065 0.370 1.00 0.00 ATOM 509 O GLU A 76 17.530 17.598 1.430 1.00 0.00 ATOM 510 C GLU A 76 18.539 17.225 2.026 1.00 0.00 ATOM 511 N VAL A 77 18.617 17.201 3.351 1.00 0.00 ATOM 512 CA VAL A 77 17.466 17.539 4.193 1.00 0.00 ATOM 513 CB VAL A 77 17.770 17.321 5.710 1.00 0.00 ATOM 514 CG1 VAL A 77 16.582 17.734 6.559 1.00 0.00 ATOM 515 CG2 VAL A 77 18.140 15.866 5.991 1.00 0.00 ATOM 516 O VAL A 77 17.850 19.884 4.107 1.00 0.00 ATOM 517 C VAL A 77 17.040 18.982 3.990 1.00 0.00 ATOM 518 N LYS A 78 15.758 19.194 3.707 1.00 0.00 ATOM 519 CA LYS A 78 15.223 20.539 3.546 1.00 0.00 ATOM 520 CB LYS A 78 14.059 20.546 2.545 1.00 0.00 ATOM 521 CG LYS A 78 14.465 20.287 1.098 1.00 0.00 ATOM 522 CD LYS A 78 13.268 20.424 0.171 1.00 0.00 ATOM 523 CE LYS A 78 13.687 20.410 -1.285 1.00 0.00 ATOM 524 NZ LYS A 78 12.526 20.631 -2.180 1.00 0.00 ATOM 525 O LYS A 78 14.200 20.423 5.733 1.00 0.00 ATOM 526 C LYS A 78 14.759 21.122 4.887 1.00 0.00 ATOM 527 N GLY A 79 14.961 22.423 5.042 1.00 0.00 ATOM 528 CA GLY A 79 14.314 23.172 6.107 1.00 0.00 ATOM 529 O GLY A 79 15.553 24.249 7.827 1.00 0.00 ATOM 530 C GLY A 79 15.098 23.195 7.402 1.00 0.00 ATOM 531 N GLU A 80 15.204 22.043 8.062 1.00 0.00 ATOM 532 CA GLU A 80 15.944 21.944 9.323 1.00 0.00 ATOM 533 CB GLU A 80 15.091 22.431 10.503 1.00 0.00 ATOM 534 CG GLU A 80 13.876 21.578 10.862 1.00 0.00 ATOM 535 CD GLU A 80 12.932 22.272 11.858 1.00 0.00 ATOM 536 OE1 GLU A 80 12.525 23.430 11.613 1.00 0.00 ATOM 537 OE2 GLU A 80 12.587 21.657 12.893 1.00 0.00 ATOM 538 O GLU A 80 15.808 19.587 8.964 1.00 0.00 ATOM 539 C GLU A 80 16.412 20.504 9.515 1.00 0.00 ATOM 540 N VAL A 81 17.503 20.326 10.256 1.00 0.00 ATOM 541 CA VAL A 81 18.122 19.032 10.457 1.00 0.00 ATOM 542 CB VAL A 81 19.226 18.786 9.420 1.00 0.00 ATOM 543 CG1 VAL A 81 20.336 19.794 9.551 1.00 0.00 ATOM 544 CG2 VAL A 81 19.743 17.364 9.494 1.00 0.00 ATOM 545 O VAL A 81 19.137 19.903 12.450 1.00 0.00 ATOM 546 C VAL A 81 18.628 18.937 11.887 1.00 0.00 ATOM 547 N THR A 82 18.512 17.741 12.442 1.00 0.00 ATOM 548 CA THR A 82 18.949 17.474 13.806 1.00 0.00 ATOM 549 CB THR A 82 17.901 16.645 14.556 1.00 0.00 ATOM 550 CG2 THR A 82 18.330 16.367 15.982 1.00 0.00 ATOM 551 OG1 THR A 82 16.664 17.357 14.556 1.00 0.00 ATOM 552 O THR A 82 20.441 15.703 13.170 1.00 0.00 ATOM 553 C THR A 82 20.293 16.767 13.779 1.00 0.00 ATOM 554 N ILE A 83 21.264 17.362 14.467 1.00 0.00 ATOM 555 CA ILE A 83 22.598 16.817 14.595 1.00 0.00 ATOM 556 CB ILE A 83 23.652 17.892 14.294 1.00 0.00 ATOM 557 CG1 ILE A 83 23.459 18.527 12.894 1.00 0.00 ATOM 558 CG2 ILE A 83 25.044 17.303 14.465 1.00 0.00 ATOM 559 CD1 ILE A 83 23.531 17.536 11.730 1.00 0.00 ATOM 560 O ILE A 83 22.547 17.054 16.982 1.00 0.00 ATOM 561 C ILE A 83 22.748 16.305 16.023 1.00 0.00 ATOM 562 N HIS A 84 23.136 15.038 16.150 1.00 0.00 ATOM 563 CA HIS A 84 23.377 14.395 17.454 1.00 0.00 ATOM 564 CB HIS A 84 22.843 12.955 17.456 1.00 0.00 ATOM 565 CG HIS A 84 21.388 12.846 17.116 1.00 0.00 ATOM 566 CD2 HIS A 84 20.695 13.098 15.976 1.00 0.00 ATOM 567 ND1 HIS A 84 20.460 12.384 18.009 1.00 0.00 ATOM 568 CE1 HIS A 84 19.265 12.365 17.439 1.00 0.00 ATOM 569 NE2 HIS A 84 19.375 12.790 16.200 1.00 0.00 ATOM 570 O HIS A 84 25.624 14.014 16.718 1.00 0.00 ATOM 571 C HIS A 84 24.877 14.398 17.640 1.00 0.00 ATOM 572 N TYR A 85 25.325 14.834 18.811 1.00 0.00 ATOM 573 CA TYR A 85 26.747 15.097 19.042 1.00 0.00 ATOM 574 CB TYR A 85 27.049 16.613 18.920 1.00 0.00 ATOM 575 CG TYR A 85 26.236 17.451 19.875 1.00 0.00 ATOM 576 CD1 TYR A 85 26.652 17.631 21.195 1.00 0.00 ATOM 577 CD2 TYR A 85 25.023 18.026 19.485 1.00 0.00 ATOM 578 CE1 TYR A 85 25.875 18.324 22.102 1.00 0.00 ATOM 579 CE2 TYR A 85 24.244 18.731 20.382 1.00 0.00 ATOM 580 CZ TYR A 85 24.677 18.885 21.686 1.00 0.00 ATOM 581 OH TYR A 85 23.892 19.557 22.581 1.00 0.00 ATOM 582 O TYR A 85 26.386 14.499 21.349 1.00 0.00 ATOM 583 C TYR A 85 27.179 14.594 20.409 1.00 0.00 ATOM 584 N ASN A 86 28.465 14.283 20.503 1.00 0.00 ATOM 585 CA ASN A 86 29.139 13.994 21.761 1.00 0.00 ATOM 586 CB ASN A 86 29.774 12.614 21.713 1.00 0.00 ATOM 587 CG ASN A 86 30.149 12.093 23.077 1.00 0.00 ATOM 588 ND2 ASN A 86 30.878 10.986 23.092 1.00 0.00 ATOM 589 OD1 ASN A 86 29.781 12.654 24.099 1.00 0.00 ATOM 590 O ASN A 86 30.922 15.389 21.102 1.00 0.00 ATOM 591 C ASN A 86 30.206 15.017 22.017 1.00 0.00 ATOM 592 N LYS A 87 30.352 15.368 23.286 1.00 0.00 ATOM 593 CA LYS A 87 31.302 16.345 23.772 1.00 0.00 ATOM 594 CB LYS A 87 30.591 17.228 24.810 1.00 0.00 ATOM 595 CG LYS A 87 29.510 18.126 24.221 1.00 0.00 ATOM 596 CD LYS A 87 30.123 19.243 23.419 1.00 0.00 ATOM 597 CE LYS A 87 29.078 20.166 22.751 1.00 0.00 ATOM 598 NZ LYS A 87 29.735 21.283 22.008 1.00 0.00 ATOM 599 O LYS A 87 32.328 14.981 25.447 1.00 0.00 ATOM 600 C LYS A 87 32.480 15.602 24.403 1.00 0.00 ATOM 601 N LEU A 88 33.627 15.626 23.730 1.00 0.00 ATOM 602 CA LEU A 88 34.818 14.863 24.112 1.00 0.00 ATOM 603 CB LEU A 88 35.441 14.213 22.865 1.00 0.00 ATOM 604 CG LEU A 88 34.580 13.228 22.079 1.00 0.00 ATOM 605 CD1 LEU A 88 35.176 12.921 20.715 1.00 0.00 ATOM 606 CD2 LEU A 88 34.421 11.950 22.879 1.00 0.00 ATOM 607 O LEU A 88 35.990 16.918 24.450 1.00 0.00 ATOM 608 C LEU A 88 35.860 15.747 24.771 1.00 0.00 ATOM 609 N GLN A 89 36.639 15.163 25.665 1.00 0.00 ATOM 610 CA GLN A 89 37.739 15.870 26.271 1.00 0.00 ATOM 611 CB GLN A 89 38.326 15.026 27.400 1.00 0.00 ATOM 612 CG GLN A 89 39.284 15.793 28.298 1.00 0.00 ATOM 613 CD GLN A 89 39.509 15.127 29.638 1.00 0.00 ATOM 614 OE1 GLN A 89 39.111 13.984 29.862 1.00 0.00 ATOM 615 NE2 GLN A 89 40.156 15.837 30.535 1.00 0.00 ATOM 616 O GLN A 89 39.090 15.359 24.351 1.00 0.00 ATOM 617 C GLN A 89 38.807 16.177 25.237 1.00 0.00 ATOM 618 N TYR A 90 39.411 17.345 25.351 1.00 0.00 ATOM 619 CA TYR A 90 40.559 17.682 24.538 1.00 0.00 ATOM 620 CB TYR A 90 40.200 18.738 23.494 1.00 0.00 ATOM 621 CG TYR A 90 39.711 20.026 24.093 1.00 0.00 ATOM 622 CD1 TYR A 90 40.605 21.017 24.468 1.00 0.00 ATOM 623 CD2 TYR A 90 38.357 20.230 24.350 1.00 0.00 ATOM 624 CE1 TYR A 90 40.163 22.202 25.048 1.00 0.00 ATOM 625 CE2 TYR A 90 37.903 21.409 24.939 1.00 0.00 ATOM 626 CZ TYR A 90 38.815 22.385 25.285 1.00 0.00 ATOM 627 OH TYR A 90 38.370 23.561 25.855 1.00 0.00 ATOM 628 O TYR A 90 41.450 18.534 26.591 1.00 0.00 ATOM 629 C TYR A 90 41.672 18.177 25.429 1.00 0.00 ATOM 630 N TYR A 91 42.878 18.191 24.879 1.00 0.00 ATOM 631 CA TYR A 91 44.060 18.613 25.622 1.00 0.00 ATOM 632 CB TYR A 91 45.003 17.432 25.858 1.00 0.00 ATOM 633 CG TYR A 91 44.374 16.386 26.735 1.00 0.00 ATOM 634 CD1 TYR A 91 44.290 16.565 28.113 1.00 0.00 ATOM 635 CD2 TYR A 91 43.820 15.243 26.196 1.00 0.00 ATOM 636 CE1 TYR A 91 43.668 15.628 28.925 1.00 0.00 ATOM 637 CE2 TYR A 91 43.206 14.293 27.004 1.00 0.00 ATOM 638 CZ TYR A 91 43.126 14.494 28.374 1.00 0.00 ATOM 639 OH TYR A 91 42.520 13.558 29.171 1.00 0.00 ATOM 640 O TYR A 91 45.134 19.519 23.693 1.00 0.00 ATOM 641 C TYR A 91 44.795 19.690 24.864 1.00 0.00 ATOM 642 N LYS A 92 45.080 20.786 25.544 1.00 0.00 ATOM 643 CA LYS A 92 45.828 21.888 24.984 1.00 0.00 ATOM 644 CB LYS A 92 45.329 23.202 25.591 1.00 0.00 ATOM 645 CG LYS A 92 45.981 24.425 24.998 1.00 0.00 ATOM 646 CD LYS A 92 45.347 25.707 25.505 1.00 0.00 ATOM 647 CE LYS A 92 45.998 26.919 24.877 1.00 0.00 ATOM 648 NZ LYS A 92 45.468 28.165 25.471 1.00 0.00 ATOM 649 O LYS A 92 47.739 21.615 26.396 1.00 0.00 ATOM 650 C LYS A 92 47.316 21.703 25.241 1.00 0.00 ATOM 651 N VAL A 93 48.096 21.646 24.156 1.00 0.00 ATOM 652 CA VAL A 93 49.537 21.430 24.201 1.00 0.00 ATOM 653 CB VAL A 93 49.892 19.973 23.828 1.00 0.00 ATOM 654 CG1 VAL A 93 49.258 18.995 24.823 1.00 0.00 ATOM 655 CG2 VAL A 93 49.506 19.683 22.385 1.00 0.00 ATOM 656 O VAL A 93 49.709 23.275 22.600 1.00 0.00 ATOM 657 C VAL A 93 50.303 22.426 23.301 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1615186680.pdb -s /var/tmp/to_scwrl_1615186680.seq -o /var/tmp/from_scwrl_1615186680.pdb > /var/tmp/scwrl_1615186680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1615186680.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 90 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -78.933 # GDT_score(maxd=8.000,maxw=2.900)= -84.404 # GDT_score(maxd=8.000,maxw=3.200)= -80.599 # GDT_score(maxd=8.000,maxw=3.500)= -76.720 # GDT_score(maxd=10.000,maxw=3.800)= -78.947 # GDT_score(maxd=10.000,maxw=4.000)= -76.528 # GDT_score(maxd=10.000,maxw=4.200)= -74.156 # GDT_score(maxd=12.000,maxw=4.300)= -77.547 # GDT_score(maxd=12.000,maxw=4.500)= -75.260 # GDT_score(maxd=12.000,maxw=4.700)= -73.053 # GDT_score(maxd=14.000,maxw=5.200)= -71.308 # GDT_score(maxd=14.000,maxw=5.500)= -68.095 # command:# request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2032031028.pdb -s /var/tmp/to_scwrl_2032031028.seq -o /var/tmp/from_scwrl_2032031028.pdb > /var/tmp/scwrl_2032031028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032031028.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 91 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -82.303 # GDT_score(maxd=8.000,maxw=2.900)= -84.231 # GDT_score(maxd=8.000,maxw=3.200)= -82.066 # GDT_score(maxd=8.000,maxw=3.500)= -79.599 # GDT_score(maxd=10.000,maxw=3.800)= -81.261 # GDT_score(maxd=10.000,maxw=4.000)= -79.484 # GDT_score(maxd=10.000,maxw=4.200)= -77.533 # GDT_score(maxd=12.000,maxw=4.300)= -80.364 # GDT_score(maxd=12.000,maxw=4.500)= -78.428 # GDT_score(maxd=12.000,maxw=4.700)= -76.381 # GDT_score(maxd=14.000,maxw=5.200)= -74.590 # GDT_score(maxd=14.000,maxw=5.500)= -71.445 # command:# request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_928344392.pdb -s /var/tmp/to_scwrl_928344392.seq -o /var/tmp/from_scwrl_928344392.pdb > /var/tmp/scwrl_928344392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928344392.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# fraction of real conformation used = 0.910 # GDT_score = -80.056 # GDT_score(maxd=8.000,maxw=2.900)= -82.587 # GDT_score(maxd=8.000,maxw=3.200)= -80.395 # GDT_score(maxd=8.000,maxw=3.500)= -77.752 # GDT_score(maxd=10.000,maxw=3.800)= -79.064 # GDT_score(maxd=10.000,maxw=4.000)= -77.244 # GDT_score(maxd=10.000,maxw=4.200)= -75.316 # GDT_score(maxd=12.000,maxw=4.300)= -77.760 # GDT_score(maxd=12.000,maxw=4.500)= -75.892 # GDT_score(maxd=12.000,maxw=4.700)= -73.968 # GDT_score(maxd=14.000,maxw=5.200)= -72.100 # GDT_score(maxd=14.000,maxw=5.500)= -69.263 # command:# request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_99179305.pdb -s /var/tmp/to_scwrl_99179305.seq -o /var/tmp/from_scwrl_99179305.pdb > /var/tmp/scwrl_99179305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_99179305.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.910 # GDT_score = -79.213 # GDT_score(maxd=8.000,maxw=2.900)= -81.647 # GDT_score(maxd=8.000,maxw=3.200)= -79.505 # GDT_score(maxd=8.000,maxw=3.500)= -76.835 # GDT_score(maxd=10.000,maxw=3.800)= -78.225 # GDT_score(maxd=10.000,maxw=4.000)= -76.399 # GDT_score(maxd=10.000,maxw=4.200)= -74.489 # GDT_score(maxd=12.000,maxw=4.300)= -76.963 # GDT_score(maxd=12.000,maxw=4.500)= -75.120 # GDT_score(maxd=12.000,maxw=4.700)= -73.308 # GDT_score(maxd=14.000,maxw=5.200)= -71.637 # GDT_score(maxd=14.000,maxw=5.500)= -68.878 # command:# request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_810274948.pdb -s /var/tmp/to_scwrl_810274948.seq -o /var/tmp/from_scwrl_810274948.pdb > /var/tmp/scwrl_810274948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_810274948.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 T0288.try1-opt2.pdb looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -78.933 # GDT_score(maxd=8.000,maxw=2.900)= -84.403 # GDT_score(maxd=8.000,maxw=3.200)= -80.598 # GDT_score(maxd=8.000,maxw=3.500)= -76.719 # GDT_score(maxd=10.000,maxw=3.800)= -78.946 # GDT_score(maxd=10.000,maxw=4.000)= -76.527 # GDT_score(maxd=10.000,maxw=4.200)= -74.154 # GDT_score(maxd=12.000,maxw=4.300)= -77.547 # GDT_score(maxd=12.000,maxw=4.500)= -75.259 # GDT_score(maxd=12.000,maxw=4.700)= -73.054 # GDT_score(maxd=14.000,maxw=5.200)= -71.303 # GDT_score(maxd=14.000,maxw=5.500)= -68.091 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0288.try1-real.pdb for output Error: Couldn't open file T0288.try1-real.pdb for output superimposing iter= 0 total_weight= 1010.000 rmsd (weighted)= 3.110 (unweighted)= 8.745 superimposing iter= 1 total_weight= 2980.235 rmsd (weighted)= 1.283 (unweighted)= 8.681 superimposing iter= 2 total_weight= 1303.148 rmsd (weighted)= 0.891 (unweighted)= 8.679 superimposing iter= 3 total_weight= 815.759 rmsd (weighted)= 0.793 (unweighted)= 8.680 superimposing iter= 4 total_weight= 705.631 rmsd (weighted)= 0.760 (unweighted)= 8.682 superimposing iter= 5 total_weight= 673.981 rmsd (weighted)= 0.746 (unweighted)= 8.682 EXPDTA T0288.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0288.try1-opt2.pdb ATOM 1 N SER A 1 29.358 18.639 24.422 1.00 0.00 ATOM 2 CA SER A 1 29.524 18.303 25.830 1.00 0.00 ATOM 3 CB SER A 1 28.128 18.350 26.453 1.00 0.00 ATOM 4 OG SER A 1 27.408 17.284 25.903 1.00 0.00 ATOM 5 O SER A 1 29.995 16.060 25.155 1.00 0.00 ATOM 6 C SER A 1 30.096 16.910 26.081 1.00 0.00 ATOM 7 N MET A 2 30.515 16.633 27.293 1.00 0.00 ATOM 8 CA MET A 2 31.055 15.310 27.595 1.00 0.00 ATOM 9 CB MET A 2 31.521 15.216 29.056 1.00 0.00 ATOM 10 CG MET A 2 32.346 13.957 29.373 1.00 0.00 ATOM 11 SD MET A 2 33.770 13.724 28.279 1.00 0.00 ATOM 12 CE MET A 2 34.304 15.445 28.170 1.00 0.00 ATOM 13 O MET A 2 30.489 12.984 27.551 1.00 0.00 ATOM 14 C MET A 2 30.085 14.143 27.466 1.00 0.00 ATOM 15 N VAL A 3 28.783 14.455 27.383 1.00 0.00 ATOM 16 CA VAL A 3 27.746 13.476 27.232 1.00 0.00 ATOM 17 CB VAL A 3 26.624 13.519 28.286 1.00 0.00 ATOM 18 CG1 VAL A 3 27.178 13.208 29.668 1.00 0.00 ATOM 19 CG2 VAL A 3 25.982 14.897 28.324 1.00 0.00 ATOM 20 O VAL A 3 27.158 14.798 25.358 1.00 0.00 ATOM 21 C VAL A 3 26.977 13.723 25.917 1.00 0.00 ATOM 22 N PRO A 4 26.268 12.728 25.475 1.00 0.00 ATOM 23 CA PRO A 4 25.507 12.878 24.235 1.00 0.00 ATOM 24 CB PRO A 4 24.700 11.578 24.169 1.00 0.00 ATOM 25 CG PRO A 4 25.590 10.596 24.826 1.00 0.00 ATOM 26 CD PRO A 4 26.087 11.371 26.025 1.00 0.00 ATOM 27 O PRO A 4 23.841 14.202 25.346 1.00 0.00 ATOM 28 C PRO A 4 24.566 14.070 24.352 1.00 0.00 ATOM 29 N GLY A 5 24.574 14.930 23.338 1.00 0.00 ATOM 30 CA GLY A 5 23.729 16.117 23.338 1.00 0.00 ATOM 31 O GLY A 5 23.229 15.725 21.019 1.00 0.00 ATOM 32 C GLY A 5 22.841 16.178 22.100 1.00 0.00 ATOM 33 N LYS A 6 21.692 16.828 22.240 1.00 0.00 ATOM 34 CA LYS A 6 20.762 16.972 21.129 1.00 0.00 ATOM 35 CB LYS A 6 19.378 16.456 21.527 1.00 0.00 ATOM 36 CG LYS A 6 18.358 16.480 20.400 1.00 0.00 ATOM 37 CD LYS A 6 17.012 15.950 20.862 1.00 0.00 ATOM 38 CE LYS A 6 15.999 15.948 19.727 1.00 0.00 ATOM 39 NZ LYS A 6 14.720 15.299 20.125 1.00 0.00 ATOM 40 O LYS A 6 20.287 19.266 21.605 1.00 0.00 ATOM 41 C LYS A 6 20.644 18.444 20.764 1.00 0.00 ATOM 42 N VAL A 7 20.900 18.765 19.501 1.00 0.00 ATOM 43 CA VAL A 7 20.838 20.146 19.035 1.00 0.00 ATOM 44 CB VAL A 7 22.270 20.804 18.931 1.00 0.00 ATOM 45 CG1 VAL A 7 22.887 20.977 20.303 1.00 0.00 ATOM 46 CG2 VAL A 7 23.165 19.940 18.020 1.00 0.00 ATOM 47 O VAL A 7 20.216 19.482 16.821 1.00 0.00 ATOM 48 C VAL A 7 20.019 20.255 17.759 1.00 0.00 ATOM 49 N THR A 8 19.108 21.220 17.719 1.00 0.00 ATOM 50 CA THR A 8 18.295 21.420 16.531 1.00 0.00 ATOM 51 CB THR A 8 16.825 21.716 16.882 1.00 0.00 ATOM 52 CG2 THR A 8 16.012 21.952 15.618 1.00 0.00 ATOM 53 OG1 THR A 8 16.267 20.602 17.591 1.00 0.00 ATOM 54 O THR A 8 18.903 23.731 16.249 1.00 0.00 ATOM 55 C THR A 8 18.832 22.608 15.742 1.00 0.00 ATOM 56 N LEU A 9 19.224 22.346 14.502 1.00 0.00 ATOM 57 CA LEU A 9 19.753 23.377 13.620 1.00 0.00 ATOM 58 CB LEU A 9 21.024 22.883 12.966 1.00 0.00 ATOM 59 CG LEU A 9 21.667 23.749 11.897 1.00 0.00 ATOM 60 CD1 LEU A 9 22.087 25.120 12.416 1.00 0.00 ATOM 61 CD2 LEU A 9 22.862 23.023 11.297 1.00 0.00 ATOM 62 O LEU A 9 18.233 22.836 11.842 1.00 0.00 ATOM 63 C LEU A 9 18.705 23.732 12.571 1.00 0.00 ATOM 64 N GLN A 10 18.377 25.019 12.455 1.00 0.00 ATOM 65 CA GLN A 10 17.399 25.454 11.489 1.00 0.00 ATOM 66 CB GLN A 10 16.337 26.320 12.168 1.00 0.00 ATOM 67 CG GLN A 10 15.234 26.794 11.235 1.00 0.00 ATOM 68 CD GLN A 10 14.200 27.649 11.942 1.00 0.00 ATOM 69 OE1 GLN A 10 14.354 27.983 13.116 1.00 0.00 ATOM 70 NE2 GLN A 10 13.139 28.005 11.226 1.00 0.00 ATOM 71 O GLN A 10 18.861 27.191 10.729 1.00 0.00 ATOM 72 C GLN A 10 18.176 26.215 10.430 1.00 0.00 ATOM 73 N LYS A 11 18.063 25.761 9.189 1.00 0.00 ATOM 74 CA LYS A 11 18.804 26.376 8.101 1.00 0.00 ATOM 75 CB LYS A 11 19.956 25.506 7.592 1.00 0.00 ATOM 76 CG LYS A 11 19.530 24.120 7.135 1.00 0.00 ATOM 77 CD LYS A 11 20.714 23.327 6.607 1.00 0.00 ATOM 78 CE LYS A 11 20.286 21.948 6.130 1.00 0.00 ATOM 79 NZ LYS A 11 21.438 21.150 5.629 1.00 0.00 ATOM 80 O LYS A 11 17.002 25.945 6.572 1.00 0.00 ATOM 81 C LYS A 11 17.958 26.662 6.869 1.00 0.00 ATOM 82 N ASP A 12 18.378 27.679 6.122 1.00 0.00 ATOM 83 CA ASP A 12 17.726 28.079 4.881 1.00 0.00 ATOM 84 CB ASP A 12 17.473 29.588 4.886 1.00 0.00 ATOM 85 CG ASP A 12 16.517 30.015 5.983 1.00 0.00 ATOM 86 OD1 ASP A 12 15.449 29.382 6.119 1.00 0.00 ATOM 87 OD2 ASP A 12 16.838 30.982 6.707 1.00 0.00 ATOM 88 O ASP A 12 19.837 27.371 3.993 1.00 0.00 ATOM 89 C ASP A 12 18.674 27.692 3.744 1.00 0.00 ATOM 90 N ALA A 13 18.198 27.746 2.502 1.00 0.00 ATOM 91 CA ALA A 13 19.038 27.396 1.354 1.00 0.00 ATOM 92 CB ALA A 13 18.242 27.505 0.062 1.00 0.00 ATOM 93 O ALA A 13 21.256 27.903 0.656 1.00 0.00 ATOM 94 C ALA A 13 20.211 28.336 1.123 1.00 0.00 ATOM 95 N GLN A 14 20.025 29.614 1.432 1.00 0.00 ATOM 96 CA GLN A 14 21.099 30.594 1.220 1.00 0.00 ATOM 97 CB GLN A 14 20.482 31.987 1.605 1.00 0.00 ATOM 98 CG GLN A 14 19.279 32.345 0.717 1.00 0.00 ATOM 99 CD GLN A 14 19.692 32.298 -0.741 1.00 0.00 ATOM 100 OE1 GLN A 14 20.554 33.065 -1.200 1.00 0.00 ATOM 101 NE2 GLN A 14 19.144 31.339 -1.479 1.00 0.00 ATOM 102 O GLN A 14 23.399 30.881 1.844 1.00 0.00 ATOM 103 C GLN A 14 22.310 30.374 2.128 1.00 0.00 ATOM 104 N ASN A 15 22.146 29.593 3.190 1.00 0.00 ATOM 105 CA ASN A 15 23.263 29.381 4.095 1.00 0.00 ATOM 106 CB ASN A 15 22.906 29.911 5.486 1.00 0.00 ATOM 107 CG ASN A 15 22.630 31.401 5.488 1.00 0.00 ATOM 108 ND2 ASN A 15 21.380 31.770 5.747 1.00 0.00 ATOM 109 OD1 ASN A 15 23.531 32.210 5.261 1.00 0.00 ATOM 110 O ASN A 15 24.945 27.767 4.589 1.00 0.00 ATOM 111 C ASN A 15 23.751 27.972 4.371 1.00 0.00 ATOM 112 N LEU A 16 22.835 27.016 4.467 1.00 0.00 ATOM 113 CA LEU A 16 23.248 25.653 4.752 1.00 0.00 ATOM 114 CB LEU A 16 24.483 25.297 3.923 1.00 0.00 ATOM 115 CG LEU A 16 24.323 25.369 2.404 1.00 0.00 ATOM 116 CD1 LEU A 16 25.645 25.078 1.709 1.00 0.00 ATOM 117 CD2 LEU A 16 23.299 24.352 1.922 1.00 0.00 ATOM 118 O LEU A 16 23.350 26.396 7.027 1.00 0.00 ATOM 119 C LEU A 16 23.587 25.487 6.224 1.00 0.00 ATOM 120 N ILE A 17 24.111 24.318 6.583 1.00 0.00 ATOM 121 CA ILE A 17 24.470 24.012 7.966 1.00 0.00 ATOM 122 CB ILE A 17 24.995 22.572 8.108 1.00 0.00 ATOM 123 CG1 ILE A 17 23.872 21.566 7.848 1.00 0.00 ATOM 124 CG2 ILE A 17 25.536 22.338 9.510 1.00 0.00 ATOM 125 CD1 ILE A 17 24.350 20.138 7.705 1.00 0.00 ATOM 126 O ILE A 17 25.545 25.257 9.710 1.00 0.00 ATOM 127 C ILE A 17 25.552 24.929 8.524 1.00 0.00 ATOM 128 N GLY A 18 26.503 25.309 7.677 1.00 0.00 ATOM 129 CA GLY A 18 27.572 26.187 8.123 1.00 0.00 ATOM 130 O GLY A 18 29.229 26.067 9.845 1.00 0.00 ATOM 131 C GLY A 18 28.657 25.485 8.917 1.00 0.00 ATOM 132 N ILE A 19 29.039 24.290 8.473 1.00 0.00 ATOM 133 CA ILE A 19 30.083 23.521 9.144 1.00 0.00 ATOM 134 CB ILE A 19 29.478 22.490 10.115 1.00 0.00 ATOM 135 CG1 ILE A 19 28.578 21.511 9.360 1.00 0.00 ATOM 136 CG2 ILE A 19 28.645 23.187 11.181 1.00 0.00 ATOM 137 CD1 ILE A 19 28.115 20.338 10.197 1.00 0.00 ATOM 138 O ILE A 19 30.481 22.385 7.065 1.00 0.00 ATOM 139 C ILE A 19 30.913 22.675 8.181 1.00 0.00 ATOM 140 N SER A 20 32.099 22.298 8.625 1.00 0.00 ATOM 141 CA SER A 20 32.999 21.479 7.816 1.00 0.00 ATOM 142 CB SER A 20 34.336 22.190 7.592 1.00 0.00 ATOM 143 OG SER A 20 34.161 23.383 6.850 1.00 0.00 ATOM 144 O SER A 20 33.554 20.390 9.864 1.00 0.00 ATOM 145 C SER A 20 33.263 20.260 8.679 1.00 0.00 ATOM 146 N ILE A 21 33.317 19.058 8.066 1.00 0.00 ATOM 147 CA ILE A 21 33.497 17.826 8.812 1.00 0.00 ATOM 148 CB ILE A 21 32.248 16.928 8.734 1.00 0.00 ATOM 149 CG1 ILE A 21 31.953 16.549 7.280 1.00 0.00 ATOM 150 CG2 ILE A 21 31.036 17.652 9.299 1.00 0.00 ATOM 151 CD1 ILE A 21 30.857 15.519 7.129 1.00 0.00 ATOM 152 O ILE A 21 35.143 17.228 7.213 1.00 0.00 ATOM 153 C ILE A 21 34.743 17.113 8.360 1.00 0.00 ATOM 154 N GLY A 22 35.322 16.261 9.216 1.00 0.00 ATOM 155 CA GLY A 22 36.376 15.329 8.867 1.00 0.00 ATOM 156 O GLY A 22 35.043 13.840 10.184 1.00 0.00 ATOM 157 C GLY A 22 36.047 13.979 9.478 1.00 0.00 ATOM 158 N GLY A 23 36.773 12.947 9.196 1.00 0.00 ATOM 159 CA GLY A 23 36.538 11.629 9.754 1.00 0.00 ATOM 160 O GLY A 23 35.371 10.910 7.781 1.00 0.00 ATOM 161 C GLY A 23 35.754 10.629 8.917 1.00 0.00 ATOM 162 N GLY A 24 35.480 9.469 9.510 1.00 0.00 ATOM 163 CA GLY A 24 34.755 8.412 8.822 1.00 0.00 ATOM 164 O GLY A 24 36.535 6.972 9.508 1.00 0.00 ATOM 165 C GLY A 24 35.330 7.073 9.255 1.00 0.00 ATOM 166 N ALA A 25 34.516 5.945 9.381 1.00 0.00 ATOM 167 CA ALA A 25 35.006 4.627 9.778 1.00 0.00 ATOM 168 CB ALA A 25 33.857 3.631 9.839 1.00 0.00 ATOM 169 O ALA A 25 36.905 3.241 9.326 1.00 0.00 ATOM 170 C ALA A 25 36.086 4.042 8.873 1.00 0.00 ATOM 171 N GLN A 26 36.073 4.410 7.593 1.00 0.00 ATOM 172 CA GLN A 26 37.074 3.878 6.669 1.00 0.00 ATOM 173 CB GLN A 26 36.775 4.200 5.213 1.00 0.00 ATOM 174 CG GLN A 26 35.407 3.702 4.724 1.00 0.00 ATOM 175 CD GLN A 26 35.223 2.218 5.003 1.00 0.00 ATOM 176 OE1 GLN A 26 35.928 1.327 4.537 1.00 0.00 ATOM 177 NE2 GLN A 26 34.235 1.925 5.888 1.00 0.00 ATOM 178 O GLN A 26 39.456 3.598 6.675 1.00 0.00 ATOM 179 C GLN A 26 38.489 4.218 7.110 1.00 0.00 ATOM 180 N TYR A 27 38.599 5.214 7.979 1.00 0.00 ATOM 181 CA TYR A 27 39.885 5.628 8.518 1.00 0.00 ATOM 182 CB TYR A 27 40.173 7.086 8.155 1.00 0.00 ATOM 183 CG TYR A 27 40.262 7.341 6.667 1.00 0.00 ATOM 184 CD1 TYR A 27 39.191 7.894 5.976 1.00 0.00 ATOM 185 CD2 TYR A 27 41.415 7.027 5.958 1.00 0.00 ATOM 186 CE1 TYR A 27 39.262 8.130 4.615 1.00 0.00 ATOM 187 CE2 TYR A 27 41.503 7.256 4.598 1.00 0.00 ATOM 188 CZ TYR A 27 40.414 7.811 3.928 1.00 0.00 ATOM 189 OH TYR A 27 40.487 8.046 2.575 1.00 0.00 ATOM 190 O TYR A 27 40.594 6.105 10.771 1.00 0.00 ATOM 191 C TYR A 27 39.831 5.477 10.039 1.00 0.00 ATOM 192 N CYS A 28 38.850 4.563 10.409 1.00 0.00 ATOM 193 CA CYS A 28 38.581 4.280 11.820 1.00 0.00 ATOM 194 CB CYS A 28 39.854 3.593 12.424 1.00 0.00 ATOM 195 SG CYS A 28 40.413 2.074 11.586 1.00 0.00 ATOM 196 O CYS A 28 37.785 5.189 13.896 1.00 0.00 ATOM 197 C CYS A 28 38.048 5.399 12.711 1.00 0.00 ATOM 198 N PRO A 29 37.853 6.578 12.129 1.00 0.00 ATOM 199 CA PRO A 29 37.346 7.718 12.880 1.00 0.00 ATOM 200 CB PRO A 29 38.186 8.894 12.313 1.00 0.00 ATOM 201 CG PRO A 29 38.173 8.552 10.858 1.00 0.00 ATOM 202 CD PRO A 29 38.436 7.056 10.859 1.00 0.00 ATOM 203 O PRO A 29 35.238 7.629 11.807 1.00 0.00 ATOM 204 C PRO A 29 35.861 7.990 12.824 1.00 0.00 ATOM 205 N CYS A 30 35.377 8.767 13.844 1.00 0.00 ATOM 206 CA CYS A 30 33.958 9.128 13.859 1.00 0.00 ATOM 207 CB CYS A 30 33.440 9.394 15.274 1.00 0.00 ATOM 208 SG CYS A 30 33.475 7.952 16.365 1.00 0.00 ATOM 209 O CYS A 30 34.907 11.015 12.729 1.00 0.00 ATOM 210 C CYS A 30 33.878 10.413 13.038 1.00 0.00 ATOM 211 N LEU A 31 32.668 10.823 12.675 1.00 0.00 ATOM 212 CA LEU A 31 32.491 12.054 11.906 1.00 0.00 ATOM 213 CB LEU A 31 31.095 12.085 11.308 1.00 0.00 ATOM 214 CG LEU A 31 30.739 13.352 10.527 1.00 0.00 ATOM 215 CD1 LEU A 31 31.659 13.499 9.321 1.00 0.00 ATOM 216 CD2 LEU A 31 29.288 13.270 10.080 1.00 0.00 ATOM 217 O LEU A 31 31.916 13.293 13.873 1.00 0.00 ATOM 218 C LEU A 31 32.658 13.196 12.896 1.00 0.00 ATOM 219 N TYR A 32 33.640 14.052 12.655 1.00 0.00 ATOM 220 CA TYR A 32 33.901 15.157 13.566 1.00 0.00 ATOM 221 CB TYR A 32 35.386 15.176 13.886 1.00 0.00 ATOM 222 CG TYR A 32 35.861 14.011 14.718 1.00 0.00 ATOM 223 CD1 TYR A 32 37.089 13.413 14.443 1.00 0.00 ATOM 224 CD2 TYR A 32 35.094 13.557 15.776 1.00 0.00 ATOM 225 CE1 TYR A 32 37.518 12.345 15.224 1.00 0.00 ATOM 226 CE2 TYR A 32 35.524 12.501 16.566 1.00 0.00 ATOM 227 CZ TYR A 32 36.732 11.913 16.272 1.00 0.00 ATOM 228 OH TYR A 32 37.171 10.869 17.061 1.00 0.00 ATOM 229 O TYR A 32 33.985 16.694 11.688 1.00 0.00 ATOM 230 C TYR A 32 33.676 16.500 12.895 1.00 0.00 ATOM 231 N ILE A 33 33.181 17.472 13.663 1.00 0.00 ATOM 232 CA ILE A 33 33.073 18.837 13.231 1.00 0.00 ATOM 233 CB ILE A 33 32.070 19.633 14.087 1.00 0.00 ATOM 234 CG1 ILE A 33 30.683 18.988 14.020 1.00 0.00 ATOM 235 CG2 ILE A 33 31.960 21.065 13.586 1.00 0.00 ATOM 236 CD1 ILE A 33 29.694 19.564 15.009 1.00 0.00 ATOM 237 O ILE A 33 35.074 19.467 14.400 1.00 0.00 ATOM 238 C ILE A 33 34.479 19.440 13.324 1.00 0.00 ATOM 239 N VAL A 34 35.010 19.907 12.199 1.00 0.00 ATOM 240 CA VAL A 34 36.358 20.477 12.170 1.00 0.00 ATOM 241 CB VAL A 34 37.152 19.988 10.944 1.00 0.00 ATOM 242 CG1 VAL A 34 37.260 18.471 10.950 1.00 0.00 ATOM 243 CG2 VAL A 34 36.463 20.416 9.658 1.00 0.00 ATOM 244 O VAL A 34 37.324 22.663 12.534 1.00 0.00 ATOM 245 C VAL A 34 36.344 22.003 12.148 1.00 0.00 ATOM 246 N GLN A 35 35.064 22.555 11.562 1.00 0.00 ATOM 247 CA GLN A 35 34.896 23.997 11.492 1.00 0.00 ATOM 248 CB GLN A 35 35.433 24.508 10.154 1.00 0.00 ATOM 249 CG GLN A 35 35.285 26.008 9.957 1.00 0.00 ATOM 250 CD GLN A 35 35.957 26.499 8.690 1.00 0.00 ATOM 251 OE1 GLN A 35 36.440 25.703 7.884 1.00 0.00 ATOM 252 NE2 GLN A 35 35.992 27.814 8.512 1.00 0.00 ATOM 253 O GLN A 35 32.561 23.773 10.973 1.00 0.00 ATOM 254 C GLN A 35 33.438 24.435 11.529 1.00 0.00 ATOM 255 N VAL A 36 33.185 25.563 12.205 1.00 0.00 ATOM 256 CA VAL A 36 31.844 26.122 12.305 1.00 0.00 ATOM 257 CB VAL A 36 31.355 26.088 13.765 1.00 0.00 ATOM 258 CG1 VAL A 36 29.957 26.679 13.872 1.00 0.00 ATOM 259 CG2 VAL A 36 31.312 24.656 14.278 1.00 0.00 ATOM 260 O VAL A 36 32.642 28.381 12.418 1.00 0.00 ATOM 261 C VAL A 36 31.959 27.557 11.805 1.00 0.00 ATOM 262 N PHE A 37 31.301 27.846 10.686 1.00 0.00 ATOM 263 CA PHE A 37 31.362 29.171 10.082 1.00 0.00 ATOM 264 CB PHE A 37 30.800 29.138 8.659 1.00 0.00 ATOM 265 CG PHE A 37 31.681 28.421 7.675 1.00 0.00 ATOM 266 CD1 PHE A 37 31.409 27.117 7.302 1.00 0.00 ATOM 267 CD2 PHE A 37 32.782 29.051 7.125 1.00 0.00 ATOM 268 CE1 PHE A 37 32.220 26.458 6.398 1.00 0.00 ATOM 269 CE2 PHE A 37 33.593 28.393 6.220 1.00 0.00 ATOM 270 CZ PHE A 37 33.316 27.101 5.856 1.00 0.00 ATOM 271 O PHE A 37 29.499 29.979 11.375 1.00 0.00 ATOM 272 C PHE A 37 30.610 30.213 10.891 1.00 0.00 ATOM 273 N ASP A 38 31.233 31.377 11.010 1.00 0.00 ATOM 274 CA ASP A 38 30.680 32.497 11.752 1.00 0.00 ATOM 275 CB ASP A 38 31.642 33.687 11.719 1.00 0.00 ATOM 276 CG ASP A 38 32.846 33.487 12.617 1.00 0.00 ATOM 277 OD1 ASP A 38 32.845 32.520 13.407 1.00 0.00 ATOM 278 OD2 ASP A 38 33.791 34.299 12.531 1.00 0.00 ATOM 279 O ASP A 38 29.256 33.220 9.956 1.00 0.00 ATOM 280 C ASP A 38 29.357 32.980 11.161 1.00 0.00 ATOM 281 N ASN A 39 28.347 33.108 12.018 1.00 0.00 ATOM 282 CA ASN A 39 27.049 33.602 11.591 1.00 0.00 ATOM 283 CB ASN A 39 27.225 34.724 10.555 1.00 0.00 ATOM 284 CG ASN A 39 27.702 35.941 11.263 1.00 0.00 ATOM 285 ND2 ASN A 39 28.751 36.536 10.717 1.00 0.00 ATOM 286 OD1 ASN A 39 27.224 36.252 12.395 1.00 0.00 ATOM 287 O ASN A 39 24.975 33.101 10.542 1.00 0.00 ATOM 288 C ASN A 39 26.087 32.684 10.859 1.00 0.00 ATOM 289 N THR A 40 26.484 31.446 10.583 1.00 0.00 ATOM 290 CA THR A 40 25.587 30.543 9.872 1.00 0.00 ATOM 291 CB THR A 40 26.346 29.573 8.948 1.00 0.00 ATOM 292 CG2 THR A 40 27.189 30.343 7.945 1.00 0.00 ATOM 293 OG1 THR A 40 27.206 28.736 9.733 1.00 0.00 ATOM 294 O THR A 40 24.862 29.863 12.062 1.00 0.00 ATOM 295 C THR A 40 24.761 29.699 10.845 1.00 0.00 ATOM 296 N PRO A 41 23.949 28.797 10.302 1.00 0.00 ATOM 297 CA PRO A 41 23.043 27.970 11.105 1.00 0.00 ATOM 298 CB PRO A 41 22.553 26.958 10.007 1.00 0.00 ATOM 299 CG PRO A 41 22.548 27.787 8.775 1.00 0.00 ATOM 300 CD PRO A 41 23.847 28.565 8.892 1.00 0.00 ATOM 301 O PRO A 41 23.155 27.439 13.431 1.00 0.00 ATOM 302 C PRO A 41 23.664 27.287 12.322 1.00 0.00 ATOM 303 N ALA A 42 24.739 26.533 12.129 1.00 0.00 ATOM 304 CA ALA A 42 25.375 25.849 13.252 1.00 0.00 ATOM 305 CB ALA A 42 26.606 25.089 12.779 1.00 0.00 ATOM 306 O ALA A 42 25.518 26.588 15.537 1.00 0.00 ATOM 307 C ALA A 42 25.794 26.814 14.359 1.00 0.00 ATOM 308 N ALA A 43 26.467 27.889 13.964 1.00 0.00 ATOM 309 CA ALA A 43 26.927 28.905 14.906 1.00 0.00 ATOM 310 CB ALA A 43 27.672 30.010 14.173 1.00 0.00 ATOM 311 O ALA A 43 25.856 29.900 16.781 1.00 0.00 ATOM 312 C ALA A 43 25.744 29.532 15.616 1.00 0.00 ATOM 313 N LEU A 44 24.613 29.644 14.934 1.00 0.00 ATOM 314 CA LEU A 44 23.424 30.259 15.549 1.00 0.00 ATOM 315 CB LEU A 44 22.303 30.361 14.513 1.00 0.00 ATOM 316 CG LEU A 44 22.527 31.350 13.366 1.00 0.00 ATOM 317 CD1 LEU A 44 21.404 31.253 12.345 1.00 0.00 ATOM 318 CD2 LEU A 44 22.574 32.777 13.889 1.00 0.00 ATOM 319 O LEU A 44 22.272 30.033 17.631 1.00 0.00 ATOM 320 C LEU A 44 22.890 29.464 16.740 1.00 0.00 ATOM 321 N ASP A 45 23.126 28.155 16.767 1.00 0.00 ATOM 322 CA ASP A 45 22.635 27.342 17.883 1.00 0.00 ATOM 323 CB ASP A 45 22.841 25.855 17.588 1.00 0.00 ATOM 324 CG ASP A 45 21.906 25.339 16.512 1.00 0.00 ATOM 325 OD1 ASP A 45 20.942 26.054 16.171 1.00 0.00 ATOM 326 OD2 ASP A 45 22.139 24.219 16.011 1.00 0.00 ATOM 327 O ASP A 45 22.573 27.677 20.266 1.00 0.00 ATOM 328 C ASP A 45 23.263 27.698 19.229 1.00 0.00 ATOM 329 N GLY A 46 24.580 28.058 19.184 1.00 0.00 ATOM 330 CA GLY A 46 25.311 28.320 20.413 1.00 0.00 ATOM 331 O GLY A 46 25.440 27.038 22.448 1.00 0.00 ATOM 332 C GLY A 46 25.378 27.020 21.214 1.00 0.00 ATOM 333 N THR A 47 25.374 25.891 20.512 1.00 0.00 ATOM 334 CA THR A 47 25.398 24.597 21.182 1.00 0.00 ATOM 335 CB THR A 47 23.986 23.989 21.256 1.00 0.00 ATOM 336 CG2 THR A 47 23.061 24.885 22.065 1.00 0.00 ATOM 337 OG1 THR A 47 23.454 23.848 19.933 1.00 0.00 ATOM 338 O THR A 47 26.243 22.374 20.917 1.00 0.00 ATOM 339 C THR A 47 26.269 23.533 20.510 1.00 0.00 ATOM 340 N VAL A 48 26.995 23.913 19.461 1.00 0.00 ATOM 341 CA VAL A 48 27.876 22.984 18.747 1.00 0.00 ATOM 342 CB VAL A 48 27.587 22.951 17.229 1.00 0.00 ATOM 343 CG1 VAL A 48 28.680 22.159 16.517 1.00 0.00 ATOM 344 CG2 VAL A 48 26.230 22.301 16.978 1.00 0.00 ATOM 345 O VAL A 48 29.541 24.715 18.773 1.00 0.00 ATOM 346 C VAL A 48 29.315 23.505 18.777 1.00 0.00 ATOM 347 N ALA A 49 30.281 22.590 18.811 1.00 0.00 ATOM 348 CA ALA A 49 31.683 22.984 18.869 1.00 0.00 ATOM 349 CB ALA A 49 32.197 22.909 20.298 1.00 0.00 ATOM 350 O ALA A 49 32.268 20.927 17.796 1.00 0.00 ATOM 351 C ALA A 49 32.580 22.091 18.032 1.00 0.00 ATOM 352 N ALA A 50 33.697 22.654 17.584 1.00 0.00 ATOM 353 CA ALA A 50 34.678 21.900 16.822 1.00 0.00 ATOM 354 CB ALA A 50 35.832 22.800 16.407 1.00 0.00 ATOM 355 O ALA A 50 35.302 21.028 18.970 1.00 0.00 ATOM 356 C ALA A 50 35.141 20.797 17.770 1.00 0.00 ATOM 357 N GLY A 51 35.329 19.592 17.250 1.00 0.00 ATOM 358 CA GLY A 51 35.749 18.497 18.104 1.00 0.00 ATOM 359 O GLY A 51 34.789 16.562 19.127 1.00 0.00 ATOM 360 C GLY A 51 34.584 17.615 18.517 1.00 0.00 ATOM 361 N ASP A 52 33.359 18.053 18.226 1.00 0.00 ATOM 362 CA ASP A 52 32.166 17.265 18.544 1.00 0.00 ATOM 363 CB ASP A 52 30.916 18.144 18.493 1.00 0.00 ATOM 364 CG ASP A 52 30.835 19.113 19.656 1.00 0.00 ATOM 365 OD1 ASP A 52 31.616 18.953 20.618 1.00 0.00 ATOM 366 OD2 ASP A 52 29.991 20.033 19.606 1.00 0.00 ATOM 367 O ASP A 52 32.221 16.381 16.324 1.00 0.00 ATOM 368 C ASP A 52 32.013 16.160 17.514 1.00 0.00 ATOM 369 N GLU A 53 31.669 14.962 17.966 1.00 0.00 ATOM 370 CA GLU A 53 31.433 13.868 17.044 1.00 0.00 ATOM 371 CB GLU A 53 31.616 12.545 17.708 1.00 0.00 ATOM 372 CG GLU A 53 31.076 11.450 16.790 1.00 0.00 ATOM 373 CD GLU A 53 31.228 10.097 17.455 1.00 0.00 ATOM 374 OE1 GLU A 53 31.329 10.113 18.697 1.00 0.00 ATOM 375 OE2 GLU A 53 31.244 9.118 16.698 1.00 0.00 ATOM 376 O GLU A 53 29.136 14.088 17.660 1.00 0.00 ATOM 377 C GLU A 53 29.937 13.875 16.754 1.00 0.00 ATOM 378 N ILE A 54 29.557 13.693 15.495 1.00 0.00 ATOM 379 CA ILE A 54 28.146 13.652 15.132 1.00 0.00 ATOM 380 CB ILE A 54 27.821 14.340 13.779 1.00 0.00 ATOM 381 CG1 ILE A 54 28.464 15.733 13.714 1.00 0.00 ATOM 382 CG2 ILE A 54 26.282 14.476 13.621 1.00 0.00 ATOM 383 CD1 ILE A 54 28.337 16.395 12.358 1.00 0.00 ATOM 384 O ILE A 54 28.252 11.370 14.402 1.00 0.00 ATOM 385 C ILE A 54 27.761 12.178 15.189 1.00 0.00 ATOM 386 N THR A 55 26.846 11.837 16.089 1.00 0.00 ATOM 387 CA THR A 55 26.441 10.446 16.260 1.00 0.00 ATOM 388 CB THR A 55 26.303 10.078 17.749 1.00 0.00 ATOM 389 CG2 THR A 55 27.619 10.302 18.478 1.00 0.00 ATOM 390 OG1 THR A 55 25.294 10.894 18.355 1.00 0.00 ATOM 391 O THR A 55 24.887 8.908 15.280 1.00 0.00 ATOM 392 C THR A 55 25.112 10.072 15.621 1.00 0.00 ATOM 393 N GLY A 56 24.253 11.060 15.414 1.00 0.00 ATOM 394 CA GLY A 56 22.962 10.794 14.796 1.00 0.00 ATOM 395 O GLY A 56 22.492 13.140 14.689 1.00 0.00 ATOM 396 C GLY A 56 22.457 12.045 14.113 1.00 0.00 ATOM 397 N VAL A 57 21.855 11.939 12.844 1.00 0.00 ATOM 398 CA VAL A 57 21.271 13.073 12.114 1.00 0.00 ATOM 399 CB VAL A 57 22.019 13.291 10.786 1.00 0.00 ATOM 400 CG1 VAL A 57 21.377 14.421 9.994 1.00 0.00 ATOM 401 CG2 VAL A 57 23.473 13.652 11.047 1.00 0.00 ATOM 402 O VAL A 57 19.576 11.774 11.030 1.00 0.00 ATOM 403 C VAL A 57 19.827 12.689 11.818 1.00 0.00 ATOM 404 N ASN A 58 18.860 13.375 12.455 1.00 0.00 ATOM 405 CA ASN A 58 17.442 13.084 12.274 1.00 0.00 ATOM 406 CB ASN A 58 16.979 13.552 10.911 1.00 0.00 ATOM 407 CG ASN A 58 17.155 15.067 10.774 1.00 0.00 ATOM 408 ND2 ASN A 58 17.890 15.492 9.744 1.00 0.00 ATOM 409 OD1 ASN A 58 16.647 15.840 11.592 1.00 0.00 ATOM 410 O ASN A 58 16.417 10.965 11.766 1.00 0.00 ATOM 411 C ASN A 58 17.145 11.603 12.526 1.00 0.00 ATOM 412 N GLY A 59 17.695 11.069 13.609 1.00 0.00 ATOM 413 CA GLY A 59 17.447 9.678 13.953 1.00 0.00 ATOM 414 O GLY A 59 18.303 7.477 13.578 1.00 0.00 ATOM 415 C GLY A 59 18.317 8.663 13.239 1.00 0.00 ATOM 416 N ARG A 60 19.061 9.112 12.236 1.00 0.00 ATOM 417 CA ARG A 60 19.927 8.211 11.498 1.00 0.00 ATOM 418 CB ARG A 60 20.150 8.726 10.075 1.00 0.00 ATOM 419 CG ARG A 60 18.891 8.766 9.224 1.00 0.00 ATOM 420 CD ARG A 60 19.163 9.389 7.865 1.00 0.00 ATOM 421 NE ARG A 60 17.979 9.374 7.009 1.00 0.00 ATOM 422 CZ ARG A 60 17.925 9.919 5.796 1.00 0.00 ATOM 423 NH1 ARG A 60 16.804 9.856 5.091 1.00 0.00 ATOM 424 NH2 ARG A 60 18.992 10.525 5.295 1.00 0.00 ATOM 425 O ARG A 60 21.990 9.093 12.351 1.00 0.00 ATOM 426 C ARG A 60 21.284 8.102 12.182 1.00 0.00 ATOM 427 N SER A 61 21.628 6.888 12.592 1.00 0.00 ATOM 428 CA SER A 61 22.885 6.632 13.277 1.00 0.00 ATOM 429 CB SER A 61 22.900 5.215 13.856 1.00 0.00 ATOM 430 OG SER A 61 24.138 4.932 14.482 1.00 0.00 ATOM 431 O SER A 61 24.143 6.203 11.274 1.00 0.00 ATOM 432 C SER A 61 24.099 6.778 12.361 1.00 0.00 ATOM 433 N ILE A 62 25.084 7.554 12.804 1.00 0.00 ATOM 434 CA ILE A 62 26.298 7.768 12.023 1.00 0.00 ATOM 435 CB ILE A 62 26.404 9.189 11.465 1.00 0.00 ATOM 436 CG1 ILE A 62 26.376 10.227 12.592 1.00 0.00 ATOM 437 CG2 ILE A 62 25.268 9.428 10.493 1.00 0.00 ATOM 438 CD1 ILE A 62 26.619 11.651 12.125 1.00 0.00 ATOM 439 O ILE A 62 28.649 7.759 12.469 1.00 0.00 ATOM 440 C ILE A 62 27.533 7.402 12.840 1.00 0.00 ATOM 441 N LYS A 63 27.338 6.683 13.943 1.00 0.00 ATOM 442 CA LYS A 63 28.455 6.311 14.808 1.00 0.00 ATOM 443 CB LYS A 63 27.952 5.540 16.030 1.00 0.00 ATOM 444 CG LYS A 63 27.162 6.386 17.017 1.00 0.00 ATOM 445 CD LYS A 63 26.669 5.553 18.188 1.00 0.00 ATOM 446 CE LYS A 63 25.913 6.407 19.194 1.00 0.00 ATOM 447 NZ LYS A 63 25.401 5.598 20.334 1.00 0.00 ATOM 448 O LYS A 63 30.671 5.658 14.167 1.00 0.00 ATOM 449 C LYS A 63 29.461 5.497 14.000 1.00 0.00 ATOM 450 N GLY A 64 29.126 4.548 12.968 1.00 0.00 ATOM 451 CA GLY A 64 30.069 3.787 12.165 1.00 0.00 ATOM 452 O GLY A 64 30.152 3.156 9.845 1.00 0.00 ATOM 453 C GLY A 64 29.958 4.049 10.666 1.00 0.00 ATOM 454 N LYS A 65 29.615 5.284 10.318 1.00 0.00 ATOM 455 CA LYS A 65 29.463 5.665 8.922 1.00 0.00 ATOM 456 CB LYS A 65 28.486 6.857 8.746 1.00 0.00 ATOM 457 CG LYS A 65 27.086 6.635 9.326 1.00 0.00 ATOM 458 CD LYS A 65 26.447 5.421 8.689 1.00 0.00 ATOM 459 CE LYS A 65 25.065 5.157 9.264 1.00 0.00 ATOM 460 NZ LYS A 65 24.428 3.957 8.653 1.00 0.00 ATOM 461 O LYS A 65 31.745 6.415 8.918 1.00 0.00 ATOM 462 C LYS A 65 30.791 5.989 8.259 1.00 0.00 ATOM 463 N THR A 66 30.840 5.781 6.946 1.00 0.00 ATOM 464 CA THR A 66 32.025 6.102 6.160 1.00 0.00 ATOM 465 CB THR A 66 32.056 5.308 4.841 1.00 0.00 ATOM 466 CG2 THR A 66 31.995 3.814 5.116 1.00 0.00 ATOM 467 OG1 THR A 66 30.931 5.676 4.032 1.00 0.00 ATOM 468 O THR A 66 30.853 8.182 6.168 1.00 0.00 ATOM 469 C THR A 66 31.900 7.594 5.895 1.00 0.00 ATOM 470 N LYS A 67 32.976 8.225 5.443 1.00 0.00 ATOM 471 CA LYS A 67 32.917 9.658 5.154 1.00 0.00 ATOM 472 CB LYS A 67 34.236 10.137 4.545 1.00 0.00 ATOM 473 CG LYS A 67 34.281 11.628 4.258 1.00 0.00 ATOM 474 CD LYS A 67 35.641 12.047 3.722 1.00 0.00 ATOM 475 CE LYS A 67 35.670 13.530 3.388 1.00 0.00 ATOM 476 NZ LYS A 67 36.989 13.949 2.840 1.00 0.00 ATOM 477 O LYS A 67 31.045 10.914 4.288 1.00 0.00 ATOM 478 C LYS A 67 31.794 9.943 4.147 1.00 0.00 ATOM 479 N VAL A 68 31.693 9.105 3.121 1.00 0.00 ATOM 480 CA VAL A 68 30.676 9.284 2.090 1.00 0.00 ATOM 481 CB VAL A 68 30.900 8.269 0.908 1.00 0.00 ATOM 482 CG1 VAL A 68 29.743 8.301 -0.090 1.00 0.00 ATOM 483 CG2 VAL A 68 32.218 8.558 0.196 1.00 0.00 ATOM 484 O VAL A 68 28.405 10.025 2.356 1.00 0.00 ATOM 485 C VAL A 68 29.254 9.180 2.652 1.00 0.00 ATOM 486 N GLU A 69 28.994 8.156 3.460 1.00 0.00 ATOM 487 CA GLU A 69 27.663 7.974 4.049 1.00 0.00 ATOM 488 CB GLU A 69 27.642 6.747 4.961 1.00 0.00 ATOM 489 CG GLU A 69 27.732 5.423 4.221 1.00 0.00 ATOM 490 CD GLU A 69 27.833 4.235 5.159 1.00 0.00 ATOM 491 OE1 GLU A 69 27.908 4.454 6.386 1.00 0.00 ATOM 492 OE2 GLU A 69 27.837 3.088 4.667 1.00 0.00 ATOM 493 O GLU A 69 26.157 9.670 4.837 1.00 0.00 ATOM 494 C GLU A 69 27.294 9.196 4.885 1.00 0.00 ATOM 495 N VAL A 70 28.250 9.708 5.668 1.00 0.00 ATOM 496 CA VAL A 70 27.972 10.889 6.482 1.00 0.00 ATOM 497 CB VAL A 70 29.209 11.295 7.317 1.00 0.00 ATOM 498 CG1 VAL A 70 28.962 12.637 8.001 1.00 0.00 ATOM 499 CG2 VAL A 70 29.498 10.224 8.363 1.00 0.00 ATOM 500 O VAL A 70 26.646 12.804 5.918 1.00 0.00 ATOM 501 C VAL A 70 27.595 12.083 5.617 1.00 0.00 ATOM 502 N ALA A 71 28.351 12.291 4.546 1.00 0.00 ATOM 503 CA ALA A 71 28.097 13.392 3.628 1.00 0.00 ATOM 504 CB ALA A 71 29.123 13.391 2.503 1.00 0.00 ATOM 505 O ALA A 71 25.990 14.277 2.897 1.00 0.00 ATOM 506 C ALA A 71 26.703 13.282 3.011 1.00 0.00 ATOM 507 N LYS A 72 26.326 12.076 2.599 1.00 0.00 ATOM 508 CA LYS A 72 25.018 11.872 1.987 1.00 0.00 ATOM 509 CB LYS A 72 24.882 10.432 1.485 1.00 0.00 ATOM 510 CG LYS A 72 25.754 10.110 0.281 1.00 0.00 ATOM 511 CD LYS A 72 25.566 8.670 -0.166 1.00 0.00 ATOM 512 CE LYS A 72 26.463 8.337 -1.348 1.00 0.00 ATOM 513 NZ LYS A 72 26.307 6.922 -1.782 1.00 0.00 ATOM 514 O LYS A 72 22.916 12.808 2.646 1.00 0.00 ATOM 515 C LYS A 72 23.892 12.124 2.974 1.00 0.00 ATOM 516 N MET A 73 24.049 11.634 4.185 1.00 0.00 ATOM 517 CA MET A 73 23.025 11.835 5.207 1.00 0.00 ATOM 518 CB MET A 73 23.430 11.126 6.501 1.00 0.00 ATOM 519 CG MET A 73 22.369 11.168 7.589 1.00 0.00 ATOM 520 SD MET A 73 22.910 10.380 9.118 1.00 0.00 ATOM 521 CE MET A 73 22.982 8.665 8.609 1.00 0.00 ATOM 522 O MET A 73 21.718 13.802 5.627 1.00 0.00 ATOM 523 C MET A 73 22.845 13.317 5.514 1.00 0.00 ATOM 524 N ILE A 74 23.954 14.040 5.627 1.00 0.00 ATOM 525 CA ILE A 74 23.907 15.467 5.923 1.00 0.00 ATOM 526 CB ILE A 74 25.317 15.972 6.332 1.00 0.00 ATOM 527 CG1 ILE A 74 25.710 15.351 7.675 1.00 0.00 ATOM 528 CG2 ILE A 74 25.337 17.494 6.410 1.00 0.00 ATOM 529 CD1 ILE A 74 27.077 15.764 8.171 1.00 0.00 ATOM 530 O ILE A 74 22.629 17.225 4.900 1.00 0.00 ATOM 531 C ILE A 74 23.378 16.263 4.734 1.00 0.00 ATOM 532 N GLN A 75 23.777 15.838 3.552 1.00 0.00 ATOM 533 CA GLN A 75 23.352 16.507 2.327 1.00 0.00 ATOM 534 CB GLN A 75 24.027 15.873 1.110 1.00 0.00 ATOM 535 CG GLN A 75 23.779 16.614 -0.195 1.00 0.00 ATOM 536 CD GLN A 75 24.327 18.026 -0.175 1.00 0.00 ATOM 537 OE1 GLN A 75 25.447 18.261 0.279 1.00 0.00 ATOM 538 NE2 GLN A 75 23.538 18.974 -0.669 1.00 0.00 ATOM 539 O GLN A 75 21.231 17.394 1.644 1.00 0.00 ATOM 540 C GLN A 75 21.841 16.432 2.105 1.00 0.00 ATOM 541 N GLU A 76 21.227 15.331 2.527 1.00 0.00 ATOM 542 CA GLU A 76 19.790 15.134 2.334 1.00 0.00 ATOM 543 CB GLU A 76 19.463 13.643 2.229 1.00 0.00 ATOM 544 CG GLU A 76 20.084 12.955 1.026 1.00 0.00 ATOM 545 CD GLU A 76 19.721 11.484 0.944 1.00 0.00 ATOM 546 OE1 GLU A 76 18.986 11.005 1.831 1.00 0.00 ATOM 547 OE2 GLU A 76 20.172 10.814 -0.009 1.00 0.00 ATOM 548 O GLU A 76 17.623 15.889 3.074 1.00 0.00 ATOM 549 C GLU A 76 18.847 15.883 3.278 1.00 0.00 ATOM 550 N VAL A 77 19.410 16.514 4.304 1.00 0.00 ATOM 551 CA VAL A 77 18.623 17.170 5.339 1.00 0.00 ATOM 552 CB VAL A 77 19.522 17.343 6.623 1.00 0.00 ATOM 553 CG1 VAL A 77 20.178 16.018 7.001 1.00 0.00 ATOM 554 CG2 VAL A 77 20.604 18.378 6.345 1.00 0.00 ATOM 555 O VAL A 77 18.209 19.036 3.878 1.00 0.00 ATOM 556 C VAL A 77 17.843 18.395 4.866 1.00 0.00 ATOM 557 N LYS A 78 16.767 18.707 5.579 1.00 0.00 ATOM 558 CA LYS A 78 15.947 19.853 5.232 1.00 0.00 ATOM 559 CB LYS A 78 14.873 19.373 4.185 1.00 0.00 ATOM 560 CG LYS A 78 14.149 20.427 3.419 1.00 0.00 ATOM 561 CD LYS A 78 12.999 19.806 2.639 1.00 0.00 ATOM 562 CE LYS A 78 12.251 20.851 1.853 1.00 0.00 ATOM 563 NZ LYS A 78 11.076 20.274 1.140 1.00 0.00 ATOM 564 O LYS A 78 14.590 20.406 7.146 1.00 0.00 ATOM 565 C LYS A 78 15.410 20.772 6.325 1.00 0.00 ATOM 566 N GLY A 79 15.900 22.102 6.212 1.00 0.00 ATOM 567 CA GLY A 79 15.502 23.038 7.250 1.00 0.00 ATOM 568 O GLY A 79 16.596 23.319 9.365 1.00 0.00 ATOM 569 C GLY A 79 15.752 22.705 8.711 1.00 0.00 ATOM 570 N GLU A 80 15.015 21.720 9.210 1.00 0.00 ATOM 571 CA GLU A 80 15.100 21.296 10.598 1.00 0.00 ATOM 572 CB GLU A 80 13.694 21.362 11.291 1.00 0.00 ATOM 573 CG GLU A 80 13.005 22.694 10.956 1.00 0.00 ATOM 574 CD GLU A 80 11.510 22.575 11.164 1.00 0.00 ATOM 575 OE1 GLU A 80 10.836 23.644 11.195 1.00 0.00 ATOM 576 OE2 GLU A 80 11.002 21.439 11.291 1.00 0.00 ATOM 577 O GLU A 80 15.608 18.976 10.328 1.00 0.00 ATOM 578 C GLU A 80 15.979 20.067 10.732 1.00 0.00 ATOM 579 N VAL A 81 17.201 20.246 11.265 1.00 0.00 ATOM 580 CA VAL A 81 18.147 19.155 11.378 1.00 0.00 ATOM 581 CB VAL A 81 19.479 19.468 10.671 1.00 0.00 ATOM 582 CG1 VAL A 81 20.465 18.325 10.861 1.00 0.00 ATOM 583 CG2 VAL A 81 19.256 19.666 9.179 1.00 0.00 ATOM 584 O VAL A 81 19.078 19.723 13.508 1.00 0.00 ATOM 585 C VAL A 81 18.489 18.877 12.839 1.00 0.00 ATOM 586 N THR A 82 18.047 17.729 13.348 1.00 0.00 ATOM 587 CA THR A 82 18.319 17.348 14.732 1.00 0.00 ATOM 588 CB THR A 82 17.127 16.579 15.335 1.00 0.00 ATOM 589 CG2 THR A 82 17.418 16.190 16.776 1.00 0.00 ATOM 590 OG1 THR A 82 15.958 17.406 15.304 1.00 0.00 ATOM 591 O THR A 82 19.624 15.413 14.167 1.00 0.00 ATOM 592 C THR A 82 19.562 16.466 14.796 1.00 0.00 ATOM 593 N ILE A 83 20.576 16.927 15.513 1.00 0.00 ATOM 594 CA ILE A 83 21.817 16.175 15.625 1.00 0.00 ATOM 595 CB ILE A 83 23.041 17.016 15.219 1.00 0.00 ATOM 596 CG1 ILE A 83 22.936 17.440 13.753 1.00 0.00 ATOM 597 CG2 ILE A 83 24.321 16.214 15.399 1.00 0.00 ATOM 598 CD1 ILE A 83 23.969 18.463 13.337 1.00 0.00 ATOM 599 O ILE A 83 21.848 16.435 17.997 1.00 0.00 ATOM 600 C ILE A 83 22.053 15.685 17.042 1.00 0.00 ATOM 601 N HIS A 84 22.512 14.455 17.163 1.00 0.00 ATOM 602 CA HIS A 84 23.025 13.946 18.434 1.00 0.00 ATOM 603 CB HIS A 84 22.433 12.547 18.621 1.00 0.00 ATOM 604 CG HIS A 84 20.935 12.523 18.631 1.00 0.00 ATOM 605 CD2 HIS A 84 19.895 12.247 17.651 1.00 0.00 ATOM 606 ND1 HIS A 84 20.194 12.803 19.758 1.00 0.00 ATOM 607 CE1 HIS A 84 18.886 12.701 19.460 1.00 0.00 ATOM 608 NE2 HIS A 84 18.701 12.368 18.197 1.00 0.00 ATOM 609 O HIS A 84 25.039 13.487 17.227 1.00 0.00 ATOM 610 C HIS A 84 24.519 14.004 18.229 1.00 0.00 ATOM 611 N TYR A 85 25.218 14.594 19.195 1.00 0.00 ATOM 612 CA TYR A 85 26.652 14.791 19.152 1.00 0.00 ATOM 613 CB TYR A 85 27.063 16.210 18.752 1.00 0.00 ATOM 614 CG TYR A 85 26.665 17.269 19.754 1.00 0.00 ATOM 615 CD1 TYR A 85 27.544 17.676 20.748 1.00 0.00 ATOM 616 CD2 TYR A 85 25.407 17.858 19.701 1.00 0.00 ATOM 617 CE1 TYR A 85 27.187 18.643 21.668 1.00 0.00 ATOM 618 CE2 TYR A 85 25.033 18.828 20.612 1.00 0.00 ATOM 619 CZ TYR A 85 25.936 19.218 21.600 1.00 0.00 ATOM 620 OH TYR A 85 25.577 20.182 22.515 1.00 0.00 ATOM 621 O TYR A 85 26.557 14.283 21.487 1.00 0.00 ATOM 622 C TYR A 85 27.269 14.507 20.509 1.00 0.00 ATOM 623 N ASN A 86 28.593 14.392 20.533 1.00 0.00 ATOM 624 CA ASN A 86 29.308 14.108 21.764 1.00 0.00 ATOM 625 CB ASN A 86 29.347 12.598 22.012 1.00 0.00 ATOM 626 CG ASN A 86 29.972 12.243 23.345 1.00 0.00 ATOM 627 ND2 ASN A 86 29.171 11.673 24.239 1.00 0.00 ATOM 628 OD1 ASN A 86 31.160 12.479 23.569 1.00 0.00 ATOM 629 O ASN A 86 31.443 14.421 20.717 1.00 0.00 ATOM 630 C ASN A 86 30.748 14.608 21.715 1.00 0.00 ATOM 631 N LYS A 87 31.180 15.267 22.781 1.00 0.00 ATOM 632 CA LYS A 87 32.549 15.768 22.866 1.00 0.00 ATOM 633 CB LYS A 87 32.787 16.450 24.214 1.00 0.00 ATOM 634 CG LYS A 87 34.165 17.075 24.358 1.00 0.00 ATOM 635 CD LYS A 87 34.305 17.806 25.683 1.00 0.00 ATOM 636 CE LYS A 87 35.707 18.366 25.860 1.00 0.00 ATOM 637 NZ LYS A 87 35.839 19.145 27.122 1.00 0.00 ATOM 638 O LYS A 87 33.376 13.611 23.525 1.00 0.00 ATOM 639 C LYS A 87 33.450 14.545 22.722 1.00 0.00 ATOM 640 N LEU A 88 34.285 14.548 21.696 1.00 0.00 ATOM 641 CA LEU A 88 35.162 13.403 21.444 1.00 0.00 ATOM 642 CB LEU A 88 36.090 13.659 20.257 1.00 0.00 ATOM 643 CG LEU A 88 37.163 12.592 19.972 1.00 0.00 ATOM 644 CD1 LEU A 88 36.489 11.253 19.674 1.00 0.00 ATOM 645 CD2 LEU A 88 38.060 13.030 18.819 1.00 0.00 ATOM 646 O LEU A 88 36.658 14.147 23.194 1.00 0.00 ATOM 647 C LEU A 88 36.235 13.195 22.530 1.00 0.00 ATOM 648 N GLN A 89 36.685 11.969 22.733 1.00 0.00 ATOM 649 CA GLN A 89 37.771 11.730 23.692 1.00 0.00 ATOM 650 CB GLN A 89 38.060 10.240 23.840 1.00 0.00 ATOM 651 CG GLN A 89 36.995 9.493 24.652 1.00 0.00 ATOM 652 CD GLN A 89 37.159 7.985 24.575 1.00 0.00 ATOM 653 OE1 GLN A 89 37.977 7.478 23.800 1.00 0.00 ATOM 654 NE2 GLN A 89 36.355 7.256 25.347 1.00 0.00 ATOM 655 O GLN A 89 39.759 13.032 24.110 1.00 0.00 ATOM 656 C GLN A 89 39.014 12.533 23.267 1.00 0.00 ATOM 657 N TYR A 90 39.189 12.675 21.942 1.00 0.00 ATOM 658 CA TYR A 90 40.319 13.434 21.417 1.00 0.00 ATOM 659 CB TYR A 90 40.277 13.518 19.907 1.00 0.00 ATOM 660 CG TYR A 90 41.236 14.479 19.300 1.00 0.00 ATOM 661 CD1 TYR A 90 42.607 14.217 19.332 1.00 0.00 ATOM 662 CD2 TYR A 90 40.770 15.604 18.639 1.00 0.00 ATOM 663 CE1 TYR A 90 43.485 15.124 18.767 1.00 0.00 ATOM 664 CE2 TYR A 90 41.643 16.514 18.065 1.00 0.00 ATOM 665 CZ TYR A 90 42.986 16.267 18.162 1.00 0.00 ATOM 666 OH TYR A 90 43.869 17.156 17.593 1.00 0.00 ATOM 667 O TYR A 90 41.246 15.385 22.430 1.00 0.00 ATOM 668 C TYR A 90 40.281 14.858 21.912 1.00 0.00 ATOM 669 N TYR A 91 39.118 15.607 21.739 1.00 0.00 ATOM 670 CA TYR A 91 38.984 16.956 22.207 1.00 0.00 ATOM 671 CB TYR A 91 37.782 17.708 21.564 1.00 0.00 ATOM 672 CG TYR A 91 38.115 18.185 20.158 1.00 0.00 ATOM 673 CD1 TYR A 91 38.868 19.316 19.945 1.00 0.00 ATOM 674 CD2 TYR A 91 37.715 17.468 19.031 1.00 0.00 ATOM 675 CE1 TYR A 91 39.204 19.732 18.688 1.00 0.00 ATOM 676 CE2 TYR A 91 38.058 17.892 17.731 1.00 0.00 ATOM 677 CZ TYR A 91 38.752 19.047 17.569 1.00 0.00 ATOM 678 OH TYR A 91 39.108 19.455 16.274 1.00 0.00 ATOM 679 O TYR A 91 39.542 18.015 24.260 1.00 0.00 ATOM 680 C TYR A 91 39.030 17.034 23.742 1.00 0.00 ATOM 681 N LYS A 92 38.582 15.997 24.435 1.00 0.00 ATOM 682 CA LYS A 92 38.697 15.949 25.922 1.00 0.00 ATOM 683 CB LYS A 92 38.048 14.681 26.429 1.00 0.00 ATOM 684 CG LYS A 92 38.008 14.622 27.924 1.00 0.00 ATOM 685 CD LYS A 92 37.374 13.344 28.424 1.00 0.00 ATOM 686 CE LYS A 92 37.368 13.311 29.923 1.00 0.00 ATOM 687 NZ LYS A 92 36.844 12.018 30.375 1.00 0.00 ATOM 688 O LYS A 92 40.580 16.615 27.241 1.00 0.00 ATOM 689 C LYS A 92 40.185 15.990 26.267 1.00 0.00 ATOM 690 N VAL A 93 41.014 15.298 25.494 1.00 0.00 ATOM 691 CA VAL A 93 42.454 15.282 25.728 1.00 0.00 ATOM 692 CB VAL A 93 43.180 14.372 24.719 1.00 0.00 ATOM 693 CG1 VAL A 93 44.686 14.440 24.928 1.00 0.00 ATOM 694 CG2 VAL A 93 42.736 12.928 24.891 1.00 0.00 ATOM 695 O VAL A 93 42.468 17.553 24.982 1.00 0.00 ATOM 696 C VAL A 93 43.090 16.662 25.603 1.00 0.00 ENDMDL EXPDTA 2gzvA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2gzvA ATOM 1 N SER A 1 32.462 20.937 30.566 1.00 0.00 ATOM 2 CA SER A 1 31.895 20.569 29.263 1.00 0.00 ATOM 3 CB SER A 1 32.279 19.130 28.907 1.00 0.00 ATOM 4 OG SER A 1 31.850 18.797 27.603 1.00 0.00 ATOM 5 O SER A 1 29.697 20.534 30.294 1.00 0.00 ATOM 6 C SER A 1 30.383 20.703 29.264 1.00 0.00 ATOM 7 N MET A 2 29.900 21.000 28.089 1.00 0.00 ATOM 8 CA MET A 2 28.538 20.792 27.765 1.00 0.00 ATOM 9 CB MET A 2 28.274 21.380 26.377 1.00 0.00 ATOM 10 CG MET A 2 28.554 22.878 26.252 1.00 0.00 ATOM 11 SD MET A 2 28.372 23.461 24.556 1.00 0.00 ATOM 12 CE MET A 2 26.634 23.129 24.313 1.00 0.00 ATOM 13 O MET A 2 29.130 18.458 27.652 1.00 0.00 ATOM 14 C MET A 2 28.238 19.293 27.763 1.00 0.00 ATOM 15 N VAL A 3 26.977 18.979 27.862 1.00 0.00 ATOM 16 CA VAL A 3 26.503 17.629 27.903 1.00 0.00 ATOM 17 CB VAL A 3 25.233 17.649 28.740 1.00 0.00 ATOM 18 CG1 VAL A 3 24.689 16.318 28.851 1.00 0.00 ATOM 19 CG2 VAL A 3 25.517 18.247 30.142 1.00 0.00 ATOM 20 O VAL A 3 25.776 17.893 25.632 1.00 0.00 ATOM 21 C VAL A 3 26.219 17.124 26.453 1.00 0.00 ATOM 22 N PRO A 4 26.475 15.847 26.121 1.00 0.00 ATOM 23 CA PRO A 4 26.120 15.398 24.768 1.00 0.00 ATOM 24 CB PRO A 4 26.627 13.953 24.728 1.00 0.00 ATOM 25 CG PRO A 4 26.689 13.530 26.149 1.00 0.00 ATOM 26 CD PRO A 4 27.046 14.761 26.931 1.00 0.00 ATOM 27 O PRO A 4 23.839 15.411 25.532 1.00 0.00 ATOM 28 C PRO A 4 24.611 15.448 24.568 1.00 0.00 ATOM 29 N GLY A 5 24.198 15.532 23.318 1.00 0.00 ATOM 30 CA GLY A 5 22.786 15.626 23.023 1.00 0.00 ATOM 31 O GLY A 5 23.223 15.209 20.714 1.00 0.00 ATOM 32 C GLY A 5 22.556 15.819 21.543 1.00 0.00 ATOM 33 N LYS A 6 21.573 16.641 21.225 1.00 0.00 ATOM 34 CA LYS A 6 21.214 16.896 19.843 1.00 0.00 ATOM 35 CB LYS A 6 20.222 15.849 19.324 1.00 0.00 ATOM 36 CG LYS A 6 18.832 15.878 19.908 1.00 0.00 ATOM 37 CD LYS A 6 18.006 14.687 19.386 1.00 0.00 ATOM 38 CE LYS A 6 16.541 14.727 19.792 1.00 0.00 ATOM 39 NZ LYS A 6 16.387 14.574 21.256 1.00 0.00 ATOM 40 O LYS A 6 20.142 18.880 20.665 1.00 0.00 ATOM 41 C LYS A 6 20.661 18.296 19.699 1.00 0.00 ATOM 42 N VAL A 7 20.791 18.860 18.510 1.00 0.00 ATOM 43 CA VAL A 7 20.240 20.174 18.237 1.00 0.00 ATOM 44 CB VAL A 7 21.295 21.295 18.398 1.00 0.00 ATOM 45 CG1 VAL A 7 22.498 21.074 17.513 1.00 0.00 ATOM 46 CG2 VAL A 7 20.671 22.675 18.155 1.00 0.00 ATOM 47 O VAL A 7 20.224 19.621 15.909 1.00 0.00 ATOM 48 C VAL A 7 19.649 20.169 16.844 1.00 0.00 ATOM 49 N THR A 8 18.483 20.780 16.720 1.00 0.00 ATOM 50 CA THR A 8 17.812 20.920 15.444 1.00 0.00 ATOM 51 CB THR A 8 16.291 20.698 15.559 1.00 0.00 ATOM 52 CG2 THR A 8 15.628 20.780 14.191 1.00 0.00 ATOM 53 OG1 THR A 8 16.025 19.414 16.142 1.00 0.00 ATOM 54 O THR A 8 17.610 23.298 15.502 1.00 0.00 ATOM 55 C THR A 8 18.078 22.308 14.924 1.00 0.00 ATOM 56 N LEU A 9 18.834 22.374 13.836 1.00 0.00 ATOM 57 CA LEU A 9 19.254 23.638 13.238 1.00 0.00 ATOM 58 CB LEU A 9 20.749 23.590 12.918 1.00 0.00 ATOM 59 CG LEU A 9 21.655 23.476 14.145 1.00 0.00 ATOM 60 CD1 LEU A 9 23.092 23.226 13.746 1.00 0.00 ATOM 61 CD2 LEU A 9 21.565 24.720 15.019 1.00 0.00 ATOM 62 O LEU A 9 18.284 23.024 11.130 1.00 0.00 ATOM 63 C LEU A 9 18.472 23.905 11.959 1.00 0.00 ATOM 64 N GLN A 10 18.020 25.143 11.796 1.00 0.00 ATOM 65 CA GLN A 10 17.323 25.585 10.592 1.00 0.00 ATOM 66 CB GLN A 10 16.547 26.875 10.887 1.00 0.00 ATOM 67 CG GLN A 10 15.328 26.706 11.794 1.00 0.00 ATOM 68 CD GLN A 10 14.101 26.184 11.059 1.00 0.00 ATOM 69 OE1 GLN A 10 14.121 25.992 9.841 1.00 0.00 ATOM 70 NE2 GLN A 10 13.027 25.951 11.799 1.00 0.00 ATOM 71 O GLN A 10 19.152 26.736 9.628 1.00 0.00 ATOM 72 C GLN A 10 18.311 25.881 9.469 1.00 0.00 ATOM 73 N LYS A 11 18.150 25.252 8.315 1.00 0.00 ATOM 74 CA LYS A 11 18.992 25.532 7.156 1.00 0.00 ATOM 75 CB LYS A 11 18.577 24.662 5.971 1.00 0.00 ATOM 76 CG LYS A 11 18.779 23.170 6.126 1.00 0.00 ATOM 77 CD LYS A 11 20.234 22.779 5.988 1.00 0.00 ATOM 78 CE LYS A 11 20.392 21.266 5.907 1.00 0.00 ATOM 79 NZ LYS A 11 20.329 20.711 4.530 1.00 0.00 ATOM 80 O LYS A 11 17.750 27.543 6.677 1.00 0.00 ATOM 81 C LYS A 11 18.855 26.993 6.741 1.00 0.00 ATOM 82 N ASP A 12 19.975 27.613 6.409 1.00 0.00 ATOM 83 CA ASP A 12 19.947 28.973 5.938 1.00 0.00 ATOM 84 CB ASP A 12 21.237 29.693 6.330 1.00 0.00 ATOM 85 CG ASP A 12 22.456 29.286 5.508 1.00 0.00 ATOM 86 OD1 ASP A 12 22.343 28.616 4.464 1.00 0.00 ATOM 87 OD2 ASP A 12 23.561 29.696 5.916 1.00 0.00 ATOM 88 O ASP A 12 19.294 28.015 3.833 1.00 0.00 ATOM 89 C ASP A 12 19.607 29.023 4.450 1.00 0.00 ATOM 90 N ALA A 13 19.640 30.221 3.881 1.00 0.00 ATOM 91 CA ALA A 13 19.204 30.420 2.505 1.00 0.00 ATOM 92 CB ALA A 13 18.975 31.902 2.234 1.00 0.00 ATOM 93 O ALA A 13 19.836 29.773 0.292 1.00 0.00 ATOM 94 C ALA A 13 20.169 29.835 1.467 1.00 0.00 ATOM 95 N GLN A 14 21.372 29.456 1.887 1.00 0.00 ATOM 96 CA GLN A 14 22.309 28.708 1.053 1.00 0.00 ATOM 97 CB GLN A 14 23.737 29.205 1.298 1.00 0.00 ATOM 98 CG GLN A 14 23.947 30.667 0.937 1.00 0.00 ATOM 99 O GLN A 14 23.098 26.457 0.884 1.00 0.00 ATOM 100 C GLN A 14 22.223 27.201 1.315 1.00 0.00 ATOM 101 N ASN A 15 21.170 26.753 2.003 1.00 0.00 ATOM 102 CA ASN A 15 20.991 25.349 2.369 1.00 0.00 ATOM 103 CB ASN A 15 20.753 24.456 1.143 1.00 0.00 ATOM 104 CG ASN A 15 20.457 23.025 1.538 1.00 0.00 ATOM 105 ND2 ASN A 15 21.018 22.064 0.811 1.00 0.00 ATOM 106 OD1 ASN A 15 19.743 22.793 2.512 1.00 0.00 ATOM 107 O ASN A 15 22.666 23.713 2.940 1.00 0.00 ATOM 108 C ASN A 15 22.160 24.811 3.188 1.00 0.00 ATOM 109 N LEU A 16 22.590 25.604 4.157 1.00 0.00 ATOM 110 CA LEU A 16 23.670 25.220 5.042 1.00 0.00 ATOM 111 CB LEU A 16 24.885 26.109 4.810 1.00 0.00 ATOM 112 CG LEU A 16 25.588 25.973 3.462 1.00 0.00 ATOM 113 CD1 LEU A 16 26.648 27.058 3.294 1.00 0.00 ATOM 114 CD2 LEU A 16 26.219 24.601 3.306 1.00 0.00 ATOM 115 O LEU A 16 22.489 26.268 6.850 1.00 0.00 ATOM 116 C LEU A 16 23.254 25.363 6.490 1.00 0.00 ATOM 117 N ILE A 17 23.775 24.482 7.331 1.00 0.00 ATOM 118 CA ILE A 17 23.732 24.706 8.769 1.00 0.00 ATOM 119 CB ILE A 17 23.428 23.434 9.577 1.00 0.00 ATOM 120 CG1 ILE A 17 24.484 22.346 9.360 1.00 0.00 ATOM 121 CG2 ILE A 17 22.030 22.929 9.255 1.00 0.00 ATOM 122 CD1 ILE A 17 24.301 21.150 10.284 1.00 0.00 ATOM 123 O ILE A 17 24.906 26.011 10.339 1.00 0.00 ATOM 124 C ILE A 17 24.973 25.386 9.293 1.00 0.00 ATOM 125 N GLY A 18 26.097 25.290 8.591 1.00 0.00 ATOM 126 CA GLY A 18 27.299 26.012 8.976 1.00 0.00 ATOM 127 O GLY A 18 29.106 25.753 10.488 1.00 0.00 ATOM 128 C GLY A 18 28.380 25.206 9.665 1.00 0.00 ATOM 129 N ILE A 19 28.503 23.925 9.332 1.00 0.00 ATOM 130 CA ILE A 19 29.594 23.118 9.842 1.00 0.00 ATOM 131 CB ILE A 19 29.128 22.055 10.880 1.00 0.00 ATOM 132 CG1 ILE A 19 28.205 21.001 10.266 1.00 0.00 ATOM 133 CG2 ILE A 19 28.528 22.745 12.094 1.00 0.00 ATOM 134 CD1 ILE A 19 27.803 19.897 11.240 1.00 0.00 ATOM 135 O ILE A 19 29.749 22.189 7.656 1.00 0.00 ATOM 136 C ILE A 19 30.317 22.424 8.720 1.00 0.00 ATOM 137 N SER A 20 31.584 22.134 8.953 1.00 0.00 ATOM 138 CA SER A 20 32.236 21.170 8.104 1.00 0.00 ATOM 139 CB SER A 20 33.511 21.701 7.490 1.00 0.00 ATOM 140 OG SER A 20 34.370 22.116 8.514 1.00 0.00 ATOM 141 O SER A 20 32.715 19.959 10.117 1.00 0.00 ATOM 142 C SER A 20 32.497 19.922 8.902 1.00 0.00 ATOM 143 N ILE A 21 32.416 18.804 8.204 1.00 0.00 ATOM 144 CA ILE A 21 32.512 17.453 8.743 1.00 0.00 ATOM 145 CB ILE A 21 31.358 16.588 8.189 1.00 0.00 ATOM 146 CG1 ILE A 21 30.007 17.208 8.551 1.00 0.00 ATOM 147 CG2 ILE A 21 31.466 15.147 8.687 1.00 0.00 ATOM 148 CD1 ILE A 21 28.844 16.502 7.929 1.00 0.00 ATOM 149 O ILE A 21 34.056 16.821 7.038 1.00 0.00 ATOM 150 C ILE A 21 33.792 16.810 8.250 1.00 0.00 ATOM 151 N GLY A 22 34.530 16.203 9.144 1.00 0.00 ATOM 152 CA GLY A 22 35.755 15.550 8.816 1.00 0.00 ATOM 153 O GLY A 22 34.858 13.683 10.020 1.00 0.00 ATOM 154 C GLY A 22 35.849 14.247 9.547 1.00 0.00 ATOM 155 N GLY A 23 37.073 13.761 9.639 1.00 0.00 ATOM 156 CA GLY A 23 37.326 12.444 10.193 1.00 0.00 ATOM 157 O GLY A 23 37.767 11.643 7.979 1.00 0.00 ATOM 158 C GLY A 23 37.337 11.389 9.109 1.00 0.00 ATOM 159 N GLY A 24 36.898 10.184 9.457 1.00 0.00 ATOM 160 CA GLY A 24 36.915 9.089 8.513 1.00 0.00 ATOM 161 O GLY A 24 38.559 8.138 7.068 1.00 0.00 ATOM 162 C GLY A 24 38.329 8.657 8.160 1.00 0.00 ATOM 163 N ALA A 25 39.279 8.861 9.076 1.00 0.00 ATOM 164 CA ALA A 25 40.657 8.408 8.864 1.00 0.00 ATOM 165 CB ALA A 25 41.556 8.896 9.987 1.00 0.00 ATOM 166 O ALA A 25 39.783 6.201 9.222 1.00 0.00 ATOM 167 C ALA A 25 40.707 6.888 8.779 1.00 0.00 ATOM 168 N GLN 26 41.788 6.367 8.204 1.00 0.00 ATOM 169 CA GLN 26 41.993 4.926 8.115 1.00 0.00 ATOM 170 C PRO 29 34.424 6.699 11.812 1.00 0.00 ATOM 171 N CYS A 30 34.861 7.163 13.014 1.00 0.00 ATOM 172 CA CYS A 30 34.139 8.261 13.662 1.00 0.00 ATOM 173 CB CYS A 30 34.647 8.437 15.100 1.00 0.00 ATOM 174 SG CYS A 30 34.307 6.998 16.161 1.00 0.00 ATOM 175 O CYS A 30 35.212 9.879 12.251 1.00 0.00 ATOM 176 C CYS A 30 34.217 9.579 12.871 1.00 0.00 ATOM 177 N LEU A 31 33.150 10.366 12.923 1.00 0.00 ATOM 178 CA LEU A 31 33.054 11.635 12.195 1.00 0.00 ATOM 179 CB LEU A 31 31.810 11.635 11.307 1.00 0.00 ATOM 180 CG LEU A 31 31.753 10.666 10.113 1.00 0.00 ATOM 181 CD1 LEU A 31 30.578 11.039 9.221 1.00 0.00 ATOM 182 CD2 LEU A 31 33.046 10.586 9.295 1.00 0.00 ATOM 183 O LEU A 31 32.387 12.607 14.275 1.00 0.00 ATOM 184 C LEU A 31 32.964 12.768 13.200 1.00 0.00 ATOM 185 N TYR A 32 33.525 13.903 12.834 1.00 0.00 ATOM 186 CA TYR A 32 33.665 15.032 13.727 1.00 0.00 ATOM 187 CB TYR A 32 35.102 15.118 14.233 1.00 0.00 ATOM 188 CG TYR A 32 35.569 13.957 15.066 1.00 0.00 ATOM 189 CD1 TYR A 32 35.387 13.955 16.443 1.00 0.00 ATOM 190 CD2 TYR A 32 36.215 12.876 14.490 1.00 0.00 ATOM 191 CE1 TYR A 32 35.842 12.907 17.229 1.00 0.00 ATOM 192 CE2 TYR A 32 36.666 11.810 15.271 1.00 0.00 ATOM 193 CZ TYR A 32 36.475 11.842 16.645 1.00 0.00 ATOM 194 OH TYR A 32 36.903 10.813 17.446 1.00 0.00 ATOM 195 O TYR A 32 33.557 16.465 11.795 1.00 0.00 ATOM 196 C TYR A 32 33.363 16.338 13.014 1.00 0.00 ATOM 197 N ILE A 33 32.946 17.323 13.790 1.00 0.00 ATOM 198 CA ILE A 33 32.874 18.682 13.315 1.00 0.00 ATOM 199 CB ILE A 33 31.975 19.516 14.241 1.00 0.00 ATOM 200 CG1 ILE A 33 30.546 18.956 14.202 1.00 0.00 ATOM 201 CG2 ILE A 33 32.006 20.988 13.828 1.00 0.00 ATOM 202 CD1 ILE A 33 29.560 19.676 15.122 1.00 0.00 ATOM 203 O ILE A 33 35.011 19.233 14.262 1.00 0.00 ATOM 204 C ILE A 33 34.287 19.262 13.274 1.00 0.00 ATOM 205 N VAL A 34 34.679 19.767 12.117 1.00 0.00 ATOM 206 CA VAL A 34 35.983 20.387 11.890 1.00 0.00 ATOM 207 CB VAL A 34 36.453 20.110 10.413 1.00 0.00 ATOM 208 CG1 VAL A 34 37.667 20.943 10.058 1.00 0.00 ATOM 209 CG2 VAL A 34 36.725 18.611 10.194 1.00 0.00 ATOM 210 O VAL A 34 36.883 22.444 12.655 1.00 0.00 ATOM 211 C VAL A 34 35.950 21.882 12.107 1.00 0.00 ATOM 212 N GLN A 35 34.869 22.524 11.680 1.00 0.00 ATOM 213 CA GLN A 35 34.743 23.973 11.749 1.00 0.00 ATOM 214 CB GLN A 35 35.333 24.614 10.492 1.00 0.00 ATOM 215 CG GLN A 35 35.374 26.142 10.521 1.00 0.00 ATOM 216 CD GLN A 35 36.216 26.740 9.418 1.00 0.00 ATOM 217 OE1 GLN A 35 36.752 26.032 8.552 1.00 0.00 ATOM 218 NE2 GLN A 35 36.329 28.064 9.432 1.00 0.00 ATOM 219 O GLN A 35 32.412 23.686 11.299 1.00 0.00 ATOM 220 C GLN A 35 33.275 24.341 11.878 1.00 0.00 ATOM 221 N VAL A 36 33.017 25.387 12.649 1.00 0.00 ATOM 222 CA VAL A 36 31.719 26.036 12.736 1.00 0.00 ATOM 223 CB VAL A 36 31.231 26.160 14.191 1.00 0.00 ATOM 224 CG1 VAL A 36 29.893 26.878 14.238 1.00 0.00 ATOM 225 CG2 VAL A 36 31.125 24.772 14.840 1.00 0.00 ATOM 226 O VAL A 36 32.760 28.190 12.529 1.00 0.00 ATOM 227 C VAL A 36 31.910 27.410 12.104 1.00 0.00 ATOM 228 N PHE A 37 31.133 27.699 11.069 1.00 0.00 ATOM 229 CA PHE A 37 31.311 28.906 10.268 1.00 0.00 ATOM 230 CB PHE A 37 30.879 28.641 8.825 1.00 0.00 ATOM 231 CG PHE A 37 31.818 27.732 8.105 1.00 0.00 ATOM 232 CD1 PHE A 37 32.887 28.247 7.395 1.00 0.00 ATOM 233 CD2 PHE A 37 31.681 26.362 8.186 1.00 0.00 ATOM 234 CE1 PHE A 37 33.782 27.403 6.758 1.00 0.00 ATOM 235 CE2 PHE A 37 32.564 25.523 7.556 1.00 0.00 ATOM 236 CZ PHE A 37 33.616 26.037 6.838 1.00 0.00 ATOM 237 O PHE A 37 29.404 29.967 11.296 1.00 0.00 ATOM 238 C PHE A 37 30.553 30.081 10.854 1.00 0.00 ATOM 239 N ASP A 38 31.194 31.238 10.822 1.00 0.00 ATOM 240 CA ASP A 38 30.599 32.456 11.353 1.00 0.00 ATOM 241 CB ASP A 38 31.551 33.635 11.171 1.00 0.00 ATOM 242 CG ASP A 38 32.810 33.529 12.018 1.00 0.00 ATOM 243 OD1 ASP A 38 32.863 32.722 12.971 1.00 0.00 ATOM 244 OD2 ASP A 38 33.755 34.300 11.737 1.00 0.00 ATOM 245 O ASP A 38 29.108 32.557 9.474 1.00 0.00 ATOM 246 C ASP A 38 29.272 32.801 10.669 1.00 0.00 ATOM 247 N ASN A 39 28.313 33.440 11.322 1.00 0.00 ATOM 248 CA ASN A 39 27.101 33.892 10.589 1.00 0.00 ATOM 249 CB ASN A 39 27.447 34.956 9.540 1.00 0.00 ATOM 250 CG ASN A 39 28.326 36.032 10.095 1.00 0.00 ATOM 251 ND2 ASN A 39 29.445 36.283 9.427 1.00 0.00 ATOM 252 OD1 ASN A 39 28.018 36.623 11.126 1.00 0.00 ATOM 253 O ASN A 39 25.774 32.910 8.834 1.00 0.00 ATOM 254 C ASN A 39 26.329 32.757 9.932 1.00 0.00 ATOM 255 N THR A 40 26.286 31.624 10.630 1.00 0.00 ATOM 256 CA THR A 40 25.477 30.501 10.214 1.00 0.00 ATOM 257 CB THR A 40 26.320 29.331 9.722 1.00 0.00 ATOM 258 CG2 THR A 40 27.286 29.766 8.635 1.00 0.00 ATOM 259 OG1 THR A 40 27.042 28.770 10.828 1.00 0.00 ATOM 260 O THR A 40 24.854 30.315 12.530 1.00 0.00 ATOM 261 C THR A 40 24.599 29.996 11.360 1.00 0.00 ATOM 262 N PRO A 41 23.568 29.192 11.060 1.00 0.00 ATOM 263 CA PRO A 41 22.730 28.655 12.138 1.00 0.00 ATOM 264 CB PRO A 41 21.791 27.690 11.390 1.00 0.00 ATOM 265 CG PRO A 41 21.651 28.340 10.031 1.00 0.00 ATOM 266 CD PRO A 41 23.044 28.824 9.731 1.00 0.00 ATOM 267 O PRO A 41 23.234 28.193 14.437 1.00 0.00 ATOM 268 C PRO A 41 23.524 27.972 13.256 1.00 0.00 ATOM 269 N ALA A 42 24.517 27.163 12.911 1.00 0.00 ATOM 270 CA ALA A 42 25.291 26.449 13.925 1.00 0.00 ATOM 271 CB ALA A 42 26.294 25.507 13.271 1.00 0.00 ATOM 272 O ALA A 42 26.111 27.180 16.051 1.00 0.00 ATOM 273 C ALA A 42 26.011 27.420 14.853 1.00 0.00 ATOM 274 N ALA A 43 26.556 28.492 14.282 1.00 0.00 ATOM 275 CA ALA A 43 27.227 29.527 15.071 1.00 0.00 ATOM 276 CB ALA A 43 28.015 30.467 14.169 1.00 0.00 ATOM 277 O ALA A 43 26.517 30.577 17.095 1.00 0.00 ATOM 278 C ALA A 43 26.242 30.315 15.923 1.00 0.00 ATOM 279 N LEU A 44 25.113 30.696 15.338 1.00 0.00 ATOM 280 CA LEU A 44 24.116 31.479 16.063 1.00 0.00 ATOM 281 CB LEU A 44 22.906 31.795 15.181 1.00 0.00 ATOM 282 CG LEU A 44 23.140 32.762 14.014 1.00 0.00 ATOM 283 CD1 LEU A 44 21.956 32.762 13.078 1.00 0.00 ATOM 284 CD2 LEU A 44 23.393 34.166 14.537 1.00 0.00 ATOM 285 O LEU A 44 23.369 31.328 18.328 1.00 0.00 ATOM 286 C LEU A 44 23.644 30.724 17.295 1.00 0.00 ATOM 287 N ASP A 45 23.524 29.414 17.178 1.00 0.00 ATOM 288 CA ASP A 45 22.972 28.597 18.246 1.00 0.00 ATOM 289 CB ASP A 45 22.468 27.291 17.663 1.00 0.00 ATOM 290 CG ASP A 45 22.134 26.300 18.724 1.00 0.00 ATOM 291 OD1 ASP A 45 21.099 26.485 19.384 1.00 0.00 ATOM 292 OD2 ASP A 45 22.934 25.376 18.922 1.00 0.00 ATOM 293 O ASP A 45 23.605 28.211 20.521 1.00 0.00 ATOM 294 C ASP A 45 23.979 28.343 19.355 1.00 0.00 ATOM 295 N GLY A 46 25.246 28.235 19.001 1.00 0.00 ATOM 296 CA GLY A 46 26.300 28.151 19.993 1.00 0.00 ATOM 297 O GLY A 46 27.435 26.691 21.473 1.00 0.00 ATOM 298 C GLY A 46 26.540 26.797 20.642 1.00 0.00 ATOM 299 N THR A 47 25.796 25.760 20.274 1.00 0.00 ATOM 300 CA THR A 47 25.897 24.465 20.942 1.00 0.00 ATOM 301 CB THR A 47 24.590 23.643 20.742 1.00 0.00 ATOM 302 CG2 THR A 47 24.668 22.314 21.475 1.00 0.00 ATOM 303 OG1 THR A 47 23.461 24.389 21.212 1.00 0.00 ATOM 304 O THR A 47 27.950 23.241 21.185 1.00 0.00 ATOM 305 C THR A 47 27.090 23.673 20.420 1.00 0.00 ATOM 306 N VAL A 48 27.141 23.467 19.114 1.00 0.00 ATOM 307 CA VAL A 48 28.174 22.600 18.554 1.00 0.00 ATOM 308 CB VAL A 48 27.748 21.947 17.232 1.00 0.00 ATOM 309 CG1 VAL A 48 26.475 21.134 17.399 1.00 0.00 ATOM 310 CG2 VAL A 48 27.599 22.982 16.119 1.00 0.00 ATOM 311 O VAL A 48 29.543 24.570 18.298 1.00 0.00 ATOM 312 C VAL A 48 29.501 23.340 18.395 1.00 0.00 ATOM 313 N ALA A 49 30.580 22.568 18.362 1.00 0.00 ATOM 314 CA ALA A 49 31.929 23.108 18.342 1.00 0.00 ATOM 315 CB ALA A 49 32.474 23.269 19.759 1.00 0.00 ATOM 316 O ALA A 49 32.625 20.985 17.501 1.00 0.00 ATOM 317 C ALA A 49 32.840 22.189 17.562 1.00 0.00 ATOM 318 N ALA A 50 33.913 22.769 17.030 1.00 0.00 ATOM 319 CA ALA A 50 34.989 21.975 16.450 1.00 0.00 ATOM 320 CB ALA A 50 36.180 22.853 16.068 1.00 0.00 ATOM 321 O ALA A 50 35.629 21.205 18.633 1.00 0.00 ATOM 322 C ALA A 50 35.434 20.915 17.454 1.00 0.00 ATOM 323 N GLY A 51 35.606 19.693 16.963 1.00 0.00 ATOM 324 CA GLY A 51 36.009 18.561 17.768 1.00 0.00 ATOM 325 O GLY A 51 35.092 16.559 18.661 1.00 0.00 ATOM 326 C GLY A 51 34.867 17.691 18.224 1.00 0.00 ATOM 327 N ASP A 52 33.630 18.185 18.162 1.00 0.00 ATOM 328 CA ASP A 52 32.525 17.353 18.587 1.00 0.00 ATOM 329 CB ASP A 52 31.244 18.166 18.645 1.00 0.00 ATOM 330 CG ASP A 52 31.256 19.229 19.741 1.00 0.00 ATOM 331 OD1 ASP A 52 32.157 19.219 20.616 1.00 0.00 ATOM 332 OD2 ASP A 52 30.340 20.064 19.704 1.00 0.00 ATOM 333 O ASP A 52 32.415 16.323 16.421 1.00 0.00 ATOM 334 C ASP A 52 32.347 16.175 17.636 1.00 0.00 ATOM 335 N GLU A 53 32.071 15.009 18.205 1.00 0.00 ATOM 336 CA GLU A 53 31.752 13.831 17.434 1.00 0.00 ATOM 337 CB GLU A 53 31.972 12.577 18.280 1.00 0.00 ATOM 338 CG GLU A 53 31.771 11.293 17.485 1.00 0.00 ATOM 339 CD GLU A 53 31.812 10.039 18.329 1.00 0.00 ATOM 340 OE1 GLU A 53 31.901 10.125 19.576 1.00 0.00 ATOM 341 OE2 GLU A 53 31.730 8.945 17.734 1.00 0.00 ATOM 342 O GLU A 53 29.439 14.215 17.794 1.00 0.00 ATOM 343 C GLU A 53 30.309 13.896 16.991 1.00 0.00 ATOM 344 N ILE A 54 30.053 13.585 15.724 1.00 0.00 ATOM 345 CA ILE A 54 28.701 13.450 15.226 1.00 0.00 ATOM 346 CB ILE A 54 28.601 13.886 13.757 1.00 0.00 ATOM 347 CG1 ILE A 54 29.014 15.356 13.608 1.00 0.00 ATOM 348 CG2 ILE A 54 27.187 13.639 13.210 1.00 0.00 ATOM 349 CD1 ILE A 54 29.199 15.797 12.180 1.00 0.00 ATOM 350 O ILE A 54 29.006 11.120 14.841 1.00 0.00 ATOM 351 C ILE A 54 28.311 11.999 15.353 1.00 0.00 ATOM 352 N THR A 55 27.196 11.740 16.017 1.00 0.00 ATOM 353 CA THR A 55 26.756 10.363 16.225 1.00 0.00 ATOM 354 CB THR A 55 26.597 10.091 17.700 1.00 0.00 ATOM 355 CG2 THR A 55 27.942 10.233 18.412 1.00 0.00 ATOM 356 OG1 THR A 55 25.634 11.006 18.253 1.00 0.00 ATOM 357 O THR A 55 25.100 8.850 15.371 1.00 0.00 ATOM 358 C THR A 55 25.451 10.028 15.513 1.00 0.00 ATOM 359 N GLY A 56 24.732 11.031 15.039 1.00 0.00 ATOM 360 CA GLY A 56 23.458 10.755 14.421 1.00 0.00 ATOM 361 O GLY A 56 23.427 13.092 13.914 1.00 0.00 ATOM 362 C GLY A 56 22.964 11.967 13.678 1.00 0.00 ATOM 363 N VAL A 57 21.990 11.728 12.814 1.00 0.00 ATOM 364 CA VAL A 57 21.335 12.764 12.047 1.00 0.00 ATOM 365 CB VAL A 57 21.880 12.819 10.596 1.00 0.00 ATOM 366 CG1 VAL A 57 21.116 13.858 9.783 1.00 0.00 ATOM 367 CG2 VAL A 57 23.363 13.158 10.603 1.00 0.00 ATOM 368 O VAL A 57 19.463 11.321 11.641 1.00 0.00 ATOM 369 C VAL A 57 19.852 12.434 12.014 1.00 0.00 ATOM 370 N ASN A 58 19.019 13.386 12.403 1.00 0.00 ATOM 371 CA ASN A 58 17.570 13.198 12.349 1.00 0.00 ATOM 372 CB ASN A 58 17.036 13.308 10.917 1.00 0.00 ATOM 373 CG ASN A 58 16.810 14.722 10.500 1.00 0.00 ATOM 374 ND2 ASN A 58 16.471 14.887 9.238 1.00 0.00 ATOM 375 OD1 ASN A 58 16.934 15.668 11.287 1.00 0.00 ATOM 376 O ASN A 58 16.336 11.131 12.430 1.00 0.00 ATOM 377 C ASN A 58 17.125 11.888 12.998 1.00 0.00 ATOM 378 N GLY A 59 17.621 11.632 14.201 1.00 0.00 ATOM 379 CA GLY A 59 17.224 10.454 14.975 1.00 0.00 ATOM 380 O GLY A 59 17.832 8.207 15.392 1.00 0.00 ATOM 381 C GLY A 59 17.936 9.170 14.632 1.00 0.00 ATOM 382 N ARG A 60 18.642 9.128 13.504 1.00 0.00 ATOM 383 CA ARG A 60 19.247 7.909 12.994 1.00 0.00 ATOM 384 CB ARG A 60 18.965 7.779 11.493 1.00 0.00 ATOM 385 CG ARG A 60 19.462 6.493 10.841 1.00 0.00 ATOM 386 CD ARG A 60 19.296 6.504 9.331 1.00 0.00 ATOM 387 NE ARG A 60 17.901 6.272 8.980 1.00 0.00 ATOM 388 CZ ARG A 60 17.417 5.196 8.338 1.00 0.00 ATOM 389 NH1 ARG A 60 18.201 4.202 7.906 1.00 0.00 ATOM 390 NH2 ARG A 60 16.114 5.118 8.121 1.00 0.00 ATOM 391 O ARG A 60 21.459 8.862 13.037 1.00 0.00 ATOM 392 C ARG A 60 20.734 7.885 13.257 1.00 0.00 ATOM 393 N SER A 61 21.215 6.740 13.707 1.00 0.00 ATOM 394 CA SER A 61 22.640 6.554 13.859 1.00 0.00 ATOM 395 CB SER A 61 22.900 5.188 14.455 1.00 0.00 ATOM 396 OG SER A 61 24.281 5.009 14.649 1.00 0.00 ATOM 397 O SER A 61 22.840 6.331 11.474 1.00 0.00 ATOM 398 C SER A 61 23.361 6.676 12.526 1.00 0.00 ATOM 399 N ILE A 62 24.592 7.155 12.591 1.00 0.00 ATOM 400 CA ILE A 62 25.420 7.149 11.382 1.00 0.00 ATOM 401 CB ILE A 62 26.034 8.524 11.066 1.00 0.00 ATOM 402 CG1 ILE A 62 26.901 9.032 12.242 1.00 0.00 ATOM 403 CG2 ILE A 62 24.931 9.495 10.728 1.00 0.00 ATOM 404 CD1 ILE A 62 27.878 10.126 11.876 1.00 0.00 ATOM 405 O ILE A 62 27.419 6.063 10.623 1.00 0.00 ATOM 406 C ILE A 62 26.511 6.086 11.443 1.00 0.00 ATOM 407 N LYS A 63 26.404 5.162 12.393 1.00 0.00 ATOM 408 CA LYS A 63 27.381 4.079 12.485 1.00 0.00 ATOM 409 CB LYS A 63 27.034 3.158 13.660 1.00 0.00 ATOM 410 CG LYS A 63 28.107 2.189 14.050 1.00 0.00 ATOM 411 CD LYS A 63 27.622 1.254 15.131 1.00 0.00 ATOM 412 O LYS A 63 26.362 2.993 10.606 1.00 0.00 ATOM 413 C LYS A 63 27.409 3.300 11.160 1.00 0.00 ATOM 414 N GLY A 64 28.603 3.031 10.636 1.00 0.00 ATOM 415 CA GLY A 64 28.746 2.319 9.363 1.00 0.00 ATOM 416 O GLY A 64 28.606 2.622 6.988 1.00 0.00 ATOM 417 C GLY A 64 28.547 3.156 8.102 1.00 0.00 ATOM 418 N LYS A 65 28.315 4.458 8.257 1.00 0.00 ATOM 419 CA LYS A 65 28.216 5.346 7.103 1.00 0.00 ATOM 420 CB LYS A 65 27.117 6.385 7.303 1.00 0.00 ATOM 421 CG LYS A 65 25.736 5.790 7.525 1.00 0.00 ATOM 422 CD LYS A 65 25.297 4.877 6.387 1.00 0.00 ATOM 423 O LYS A 65 30.251 6.344 7.859 1.00 0.00 ATOM 424 C LYS A 65 29.537 6.045 6.903 1.00 0.00 ATOM 425 N THR A 66 29.867 6.324 5.652 1.00 0.00 ATOM 426 CA THR A 66 31.094 7.032 5.388 1.00 0.00 ATOM 427 CB THR A 66 31.586 6.829 3.972 1.00 0.00 ATOM 428 CG2 THR A 66 31.788 5.334 3.658 1.00 0.00 ATOM 429 OG1 THR A 66 30.620 7.394 3.092 1.00 0.00 ATOM 430 O THR A 66 29.742 9.046 5.641 1.00 0.00 ATOM 431 C THR A 66 30.867 8.523 5.605 1.00 0.00 ATOM 432 N LYS A 67 31.976 9.212 5.721 1.00 0.00 ATOM 433 CA LYS A 67 31.966 10.641 5.835 1.00 0.00 ATOM 434 CB LYS A 67 33.406 11.090 5.804 1.00 0.00 ATOM 435 CG LYS A 67 33.572 12.568 5.848 1.00 0.00 ATOM 436 CD LYS A 67 35.039 12.962 6.089 1.00 0.00 ATOM 437 CE LYS A 67 36.015 12.369 5.103 1.00 0.00 ATOM 438 NZ LYS A 67 37.430 12.711 5.433 1.00 0.00 ATOM 439 O LYS A 67 30.298 12.207 4.998 1.00 0.00 ATOM 440 C LYS A 67 31.144 11.338 4.730 1.00 0.00 ATOM 441 N VAL A 68 31.380 10.968 3.483 1.00 0.00 ATOM 442 CA VAL A 68 30.639 11.588 2.401 1.00 0.00 ATOM 443 CB VAL A 68 31.285 11.288 1.027 1.00 0.00 ATOM 444 CG1 VAL A 68 31.162 9.805 0.638 1.00 0.00 ATOM 445 CG2 VAL A 68 30.739 12.245 -0.030 1.00 0.00 ATOM 446 O VAL A 68 28.299 12.025 2.100 1.00 0.00 ATOM 447 C VAL A 68 29.158 11.212 2.430 1.00 0.00 ATOM 448 N GLU A 69 28.842 9.986 2.831 1.00 0.00 ATOM 449 CA GLU A 69 27.438 9.607 2.960 1.00 0.00 ATOM 450 CB GLU A 69 27.331 8.145 3.381 1.00 0.00 ATOM 451 CG GLU A 69 27.600 7.203 2.231 1.00 0.00 ATOM 452 CD GLU A 69 27.637 5.740 2.628 1.00 0.00 ATOM 453 OE1 GLU A 69 27.997 5.411 3.778 1.00 0.00 ATOM 454 OE2 GLU A 69 27.326 4.899 1.756 1.00 0.00 ATOM 455 O GLU A 69 25.552 10.908 3.715 1.00 0.00 ATOM 456 C GLU A 69 26.695 10.491 3.950 1.00 0.00 ATOM 457 N VAL A 70 27.340 10.760 5.076 1.00 0.00 ATOM 458 CA VAL A 70 26.716 11.583 6.100 1.00 0.00 ATOM 459 CB VAL A 70 27.492 11.487 7.406 1.00 0.00 ATOM 460 CG1 VAL A 70 26.923 12.460 8.448 1.00 0.00 ATOM 461 CG2 VAL A 70 27.456 10.061 7.932 1.00 0.00 ATOM 462 O VAL A 70 25.550 13.656 5.858 1.00 0.00 ATOM 463 C VAL A 70 26.573 13.024 5.625 1.00 0.00 ATOM 464 N ALA A 71 27.591 13.535 4.946 1.00 0.00 ATOM 465 CA ALA A 71 27.516 14.887 4.410 1.00 0.00 ATOM 466 CB ALA A 71 28.838 15.281 3.746 1.00 0.00 ATOM 467 O ALA A 71 25.586 15.950 3.483 1.00 0.00 ATOM 468 C ALA A 71 26.362 15.001 3.416 1.00 0.00 ATOM 469 N LYS A 72 26.241 14.036 2.506 1.00 0.00 ATOM 470 CA LYS A 72 25.171 14.060 1.497 1.00 0.00 ATOM 471 CB LYS A 72 25.299 12.895 0.510 1.00 0.00 ATOM 472 CG LYS A 72 26.419 13.051 -0.513 1.00 0.00 ATOM 473 CD LYS A 72 26.637 11.788 -1.335 1.00 0.00 ATOM 474 CE LYS A 72 25.392 11.360 -2.091 1.00 0.00 ATOM 475 O LYS A 72 22.870 14.681 1.730 1.00 0.00 ATOM 476 C LYS A 72 23.808 14.007 2.161 1.00 0.00 ATOM 477 N MET A 73 23.706 13.231 3.240 1.00 0.00 ATOM 478 CA MET A 73 22.461 13.093 3.990 1.00 0.00 ATOM 479 CB MET A 73 22.653 12.079 5.117 1.00 0.00 ATOM 480 CG MET A 73 21.431 11.709 5.925 1.00 0.00 ATOM 481 SD MET A 73 21.885 10.756 7.399 1.00 0.00 ATOM 482 CE MET A 73 23.092 9.575 6.761 1.00 0.00 ATOM 483 O MET A 73 20.894 14.844 4.460 1.00 0.00 ATOM 484 C MET A 73 22.048 14.425 4.589 1.00 0.00 ATOM 485 N ILE A 74 22.976 15.082 5.286 1.00 0.00 ATOM 486 CA ILE A 74 22.685 16.356 5.921 1.00 0.00 ATOM 487 CB ILE A 74 23.883 16.834 6.785 1.00 0.00 ATOM 488 CG1 ILE A 74 24.093 15.904 7.995 1.00 0.00 ATOM 489 CG2 ILE A 74 23.675 18.265 7.273 1.00 0.00 ATOM 490 CD1 ILE A 74 25.409 16.113 8.690 1.00 0.00 ATOM 491 O ILE A 74 21.343 18.144 5.055 1.00 0.00 ATOM 492 C ILE A 74 22.308 17.392 4.868 1.00 0.00 ATOM 493 N GLN A 75 23.056 17.439 3.762 1.00 0.00 ATOM 494 CA GLN A 75 22.815 18.451 2.724 1.00 0.00 ATOM 495 CB GLN A 75 23.897 18.399 1.637 1.00 0.00 ATOM 496 CG GLN A 75 23.693 19.436 0.533 1.00 0.00 ATOM 497 CD GLN A 75 24.594 19.236 -0.653 1.00 0.00 ATOM 498 OE1 GLN A 75 24.637 18.153 -1.249 1.00 0.00 ATOM 499 NE2 GLN A 75 25.309 20.293 -1.029 1.00 0.00 ATOM 500 O GLN A 75 20.778 19.276 1.783 1.00 0.00 ATOM 501 C GLN A 75 21.437 18.290 2.100 1.00 0.00 ATOM 502 N GLU A 76 21.005 17.042 1.936 1.00 0.00 ATOM 503 CA GLU A 76 19.757 16.748 1.251 1.00 0.00 ATOM 504 CB GLU A 76 19.638 15.240 0.989 1.00 0.00 ATOM 505 CG GLU A 76 18.423 14.827 0.149 1.00 0.00 ATOM 506 CD GLU A 76 17.123 14.752 0.942 1.00 0.00 ATOM 507 OE1 GLU A 76 17.162 14.378 2.133 1.00 0.00 ATOM 508 OE2 GLU A 76 16.055 15.065 0.370 1.00 0.00 ATOM 509 O GLU A 76 17.530 17.598 1.430 1.00 0.00 ATOM 510 C GLU A 76 18.539 17.225 2.026 1.00 0.00 ATOM 511 N VAL A 77 18.617 17.201 3.351 1.00 0.00 ATOM 512 CA VAL A 77 17.466 17.539 4.193 1.00 0.00 ATOM 513 CB VAL A 77 17.770 17.321 5.710 1.00 0.00 ATOM 514 CG1 VAL A 77 16.582 17.734 6.559 1.00 0.00 ATOM 515 CG2 VAL A 77 18.140 15.866 5.991 1.00 0.00 ATOM 516 O VAL A 77 17.850 19.884 4.107 1.00 0.00 ATOM 517 C VAL A 77 17.040 18.982 3.990 1.00 0.00 ATOM 518 N LYS A 78 15.758 19.194 3.707 1.00 0.00 ATOM 519 CA LYS A 78 15.223 20.539 3.546 1.00 0.00 ATOM 520 CB LYS A 78 14.059 20.546 2.545 1.00 0.00 ATOM 521 CG LYS A 78 14.465 20.287 1.098 1.00 0.00 ATOM 522 CD LYS A 78 13.268 20.424 0.171 1.00 0.00 ATOM 523 CE LYS A 78 13.687 20.410 -1.285 1.00 0.00 ATOM 524 NZ LYS A 78 12.526 20.631 -2.180 1.00 0.00 ATOM 525 O LYS A 78 14.200 20.423 5.733 1.00 0.00 ATOM 526 C LYS A 78 14.759 21.122 4.887 1.00 0.00 ATOM 527 N GLY A 79 14.961 22.423 5.042 1.00 0.00 ATOM 528 CA GLY A 79 14.314 23.172 6.107 1.00 0.00 ATOM 529 O GLY A 79 15.553 24.249 7.827 1.00 0.00 ATOM 530 C GLY A 79 15.098 23.195 7.402 1.00 0.00 ATOM 531 N GLU A 80 15.204 22.043 8.062 1.00 0.00 ATOM 532 CA GLU A 80 15.944 21.944 9.323 1.00 0.00 ATOM 533 CB GLU A 80 15.091 22.431 10.503 1.00 0.00 ATOM 534 CG GLU A 80 13.876 21.578 10.862 1.00 0.00 ATOM 535 CD GLU A 80 12.932 22.272 11.858 1.00 0.00 ATOM 536 OE1 GLU A 80 12.525 23.430 11.613 1.00 0.00 ATOM 537 OE2 GLU A 80 12.587 21.657 12.893 1.00 0.00 ATOM 538 O GLU A 80 15.808 19.587 8.964 1.00 0.00 ATOM 539 C GLU A 80 16.412 20.504 9.515 1.00 0.00 ATOM 540 N VAL A 81 17.503 20.326 10.256 1.00 0.00 ATOM 541 CA VAL A 81 18.122 19.032 10.457 1.00 0.00 ATOM 542 CB VAL A 81 19.226 18.786 9.420 1.00 0.00 ATOM 543 CG1 VAL A 81 20.336 19.794 9.551 1.00 0.00 ATOM 544 CG2 VAL A 81 19.743 17.364 9.494 1.00 0.00 ATOM 545 O VAL A 81 19.137 19.903 12.450 1.00 0.00 ATOM 546 C VAL A 81 18.628 18.937 11.887 1.00 0.00 ATOM 547 N THR A 82 18.512 17.741 12.442 1.00 0.00 ATOM 548 CA THR A 82 18.949 17.474 13.806 1.00 0.00 ATOM 549 CB THR A 82 17.901 16.645 14.556 1.00 0.00 ATOM 550 CG2 THR A 82 18.330 16.367 15.982 1.00 0.00 ATOM 551 OG1 THR A 82 16.664 17.357 14.556 1.00 0.00 ATOM 552 O THR A 82 20.441 15.703 13.170 1.00 0.00 ATOM 553 C THR A 82 20.293 16.767 13.779 1.00 0.00 ATOM 554 N ILE A 83 21.264 17.362 14.467 1.00 0.00 ATOM 555 CA ILE A 83 22.598 16.817 14.595 1.00 0.00 ATOM 556 CB ILE A 83 23.652 17.892 14.294 1.00 0.00 ATOM 557 CG1 ILE A 83 23.459 18.527 12.894 1.00 0.00 ATOM 558 CG2 ILE A 83 25.044 17.303 14.465 1.00 0.00 ATOM 559 CD1 ILE A 83 23.531 17.536 11.730 1.00 0.00 ATOM 560 O ILE A 83 22.547 17.054 16.982 1.00 0.00 ATOM 561 C ILE A 83 22.748 16.305 16.023 1.00 0.00 ATOM 562 N HIS A 84 23.136 15.038 16.150 1.00 0.00 ATOM 563 CA HIS A 84 23.377 14.395 17.454 1.00 0.00 ATOM 564 CB HIS A 84 22.843 12.955 17.456 1.00 0.00 ATOM 565 CG HIS A 84 21.388 12.846 17.116 1.00 0.00 ATOM 566 CD2 HIS A 84 20.695 13.098 15.976 1.00 0.00 ATOM 567 ND1 HIS A 84 20.460 12.384 18.009 1.00 0.00 ATOM 568 CE1 HIS A 84 19.265 12.365 17.439 1.00 0.00 ATOM 569 NE2 HIS A 84 19.375 12.790 16.200 1.00 0.00 ATOM 570 O HIS A 84 25.624 14.014 16.718 1.00 0.00 ATOM 571 C HIS A 84 24.877 14.398 17.640 1.00 0.00 ATOM 572 N TYR A 85 25.325 14.834 18.811 1.00 0.00 ATOM 573 CA TYR A 85 26.747 15.097 19.042 1.00 0.00 ATOM 574 CB TYR A 85 27.049 16.613 18.920 1.00 0.00 ATOM 575 CG TYR A 85 26.236 17.451 19.875 1.00 0.00 ATOM 576 CD1 TYR A 85 26.652 17.631 21.195 1.00 0.00 ATOM 577 CD2 TYR A 85 25.023 18.026 19.485 1.00 0.00 ATOM 578 CE1 TYR A 85 25.875 18.324 22.102 1.00 0.00 ATOM 579 CE2 TYR A 85 24.244 18.731 20.382 1.00 0.00 ATOM 580 CZ TYR A 85 24.677 18.885 21.686 1.00 0.00 ATOM 581 OH TYR A 85 23.892 19.557 22.581 1.00 0.00 ATOM 582 O TYR A 85 26.386 14.499 21.349 1.00 0.00 ATOM 583 C TYR A 85 27.179 14.594 20.409 1.00 0.00 ATOM 584 N ASN A 86 28.465 14.283 20.503 1.00 0.00 ATOM 585 CA ASN A 86 29.139 13.994 21.761 1.00 0.00 ATOM 586 CB ASN A 86 29.774 12.614 21.713 1.00 0.00 ATOM 587 CG ASN A 86 30.149 12.093 23.077 1.00 0.00 ATOM 588 ND2 ASN A 86 30.878 10.986 23.092 1.00 0.00 ATOM 589 OD1 ASN A 86 29.781 12.654 24.099 1.00 0.00 ATOM 590 O ASN A 86 30.922 15.389 21.102 1.00 0.00 ATOM 591 C ASN A 86 30.206 15.017 22.017 1.00 0.00 ATOM 592 N LYS A 87 30.352 15.368 23.286 1.00 0.00 ATOM 593 CA LYS A 87 31.302 16.345 23.772 1.00 0.00 ATOM 594 CB LYS A 87 30.591 17.228 24.810 1.00 0.00 ATOM 595 CG LYS A 87 29.510 18.126 24.221 1.00 0.00 ATOM 596 CD LYS A 87 30.123 19.243 23.419 1.00 0.00 ATOM 597 CE LYS A 87 29.078 20.166 22.751 1.00 0.00 ATOM 598 NZ LYS A 87 29.735 21.283 22.008 1.00 0.00 ATOM 599 O LYS A 87 32.328 14.981 25.447 1.00 0.00 ATOM 600 C LYS A 87 32.480 15.602 24.403 1.00 0.00 ATOM 601 N LEU A 88 33.627 15.626 23.730 1.00 0.00 ATOM 602 CA LEU A 88 34.818 14.863 24.112 1.00 0.00 ATOM 603 CB LEU A 88 35.441 14.213 22.865 1.00 0.00 ATOM 604 CG LEU A 88 34.580 13.228 22.079 1.00 0.00 ATOM 605 CD1 LEU A 88 35.176 12.921 20.715 1.00 0.00 ATOM 606 CD2 LEU A 88 34.421 11.950 22.879 1.00 0.00 ATOM 607 O LEU A 88 35.990 16.918 24.450 1.00 0.00 ATOM 608 C LEU A 88 35.860 15.747 24.771 1.00 0.00 ATOM 609 N GLN A 89 36.639 15.163 25.665 1.00 0.00 ATOM 610 CA GLN A 89 37.739 15.870 26.271 1.00 0.00 ATOM 611 CB GLN A 89 38.326 15.026 27.400 1.00 0.00 ATOM 612 CG GLN A 89 39.284 15.793 28.298 1.00 0.00 ATOM 613 CD GLN A 89 39.509 15.127 29.638 1.00 0.00 ATOM 614 OE1 GLN A 89 39.111 13.984 29.862 1.00 0.00 ATOM 615 NE2 GLN A 89 40.156 15.837 30.535 1.00 0.00 ATOM 616 O GLN A 89 39.090 15.359 24.351 1.00 0.00 ATOM 617 C GLN A 89 38.807 16.177 25.237 1.00 0.00 ATOM 618 N TYR A 90 39.411 17.345 25.351 1.00 0.00 ATOM 619 CA TYR A 90 40.559 17.682 24.538 1.00 0.00 ATOM 620 CB TYR A 90 40.200 18.738 23.494 1.00 0.00 ATOM 621 CG TYR A 90 39.711 20.026 24.093 1.00 0.00 ATOM 622 CD1 TYR A 90 40.605 21.017 24.468 1.00 0.00 ATOM 623 CD2 TYR A 90 38.357 20.230 24.350 1.00 0.00 ATOM 624 CE1 TYR A 90 40.163 22.202 25.048 1.00 0.00 ATOM 625 CE2 TYR A 90 37.903 21.409 24.939 1.00 0.00 ATOM 626 CZ TYR A 90 38.815 22.385 25.285 1.00 0.00 ATOM 627 OH TYR A 90 38.370 23.561 25.855 1.00 0.00 ATOM 628 O TYR A 90 41.450 18.534 26.591 1.00 0.00 ATOM 629 C TYR A 90 41.672 18.177 25.429 1.00 0.00 ATOM 630 N TYR A 91 42.878 18.191 24.879 1.00 0.00 ATOM 631 CA TYR A 91 44.060 18.613 25.622 1.00 0.00 ATOM 632 CB TYR A 91 45.003 17.432 25.858 1.00 0.00 ATOM 633 CG TYR A 91 44.374 16.386 26.735 1.00 0.00 ATOM 634 CD1 TYR A 91 44.290 16.565 28.113 1.00 0.00 ATOM 635 CD2 TYR A 91 43.820 15.243 26.196 1.00 0.00 ATOM 636 CE1 TYR A 91 43.668 15.628 28.925 1.00 0.00 ATOM 637 CE2 TYR A 91 43.206 14.293 27.004 1.00 0.00 ATOM 638 CZ TYR A 91 43.126 14.494 28.374 1.00 0.00 ATOM 639 OH TYR A 91 42.520 13.558 29.171 1.00 0.00 ATOM 640 O TYR A 91 45.134 19.519 23.693 1.00 0.00 ATOM 641 C TYR A 91 44.795 19.690 24.864 1.00 0.00 ATOM 642 N LYS A 92 45.080 20.786 25.544 1.00 0.00 ATOM 643 CA LYS A 92 45.828 21.888 24.984 1.00 0.00 ATOM 644 CB LYS A 92 45.329 23.202 25.591 1.00 0.00 ATOM 645 CG LYS A 92 45.981 24.425 24.998 1.00 0.00 ATOM 646 CD LYS A 92 45.347 25.707 25.505 1.00 0.00 ATOM 647 CE LYS A 92 45.998 26.919 24.877 1.00 0.00 ATOM 648 NZ LYS A 92 45.468 28.165 25.471 1.00 0.00 ATOM 649 O LYS A 92 47.739 21.615 26.396 1.00 0.00 ATOM 650 C LYS A 92 47.316 21.703 25.241 1.00 0.00 ATOM 651 N VAL A 93 48.096 21.646 24.156 1.00 0.00 ATOM 652 CA VAL A 93 49.537 21.430 24.201 1.00 0.00 ATOM 653 CB VAL A 93 49.892 19.973 23.828 1.00 0.00 ATOM 654 CG1 VAL A 93 49.258 18.995 24.823 1.00 0.00 ATOM 655 CG2 VAL A 93 49.506 19.683 22.385 1.00 0.00 ATOM 656 O VAL A 93 49.709 23.275 22.600 1.00 0.00 ATOM 657 C VAL A 93 50.303 22.426 23.301 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 T0288.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0288)N15.C and (T0288)L16.C only 0.000 apart, marking (T0288)L16.C as missing WARNING: atoms too close: (T0288)L16.N and (T0288)I17.N only 0.000 apart, marking (T0288)L16.N as missing WARNING: atoms too close: (T0288)L16.CA and (T0288)I17.CA only 0.000 apart, marking (T0288)L16.CA as missing WARNING: atoms too close: (T0288)Q26.C and (T0288)Y27.C only 0.000 apart, marking (T0288)Y27.C as missing WARNING: atoms too close: (T0288)Y27.N and (T0288)C28.N only 0.000 apart, marking (T0288)Y27.N as missing WARNING: atoms too close: (T0288)Y27.CA and (T0288)C28.CA only 0.000 apart, marking (T0288)Y27.CA as missing WARNING: atoms too close: (T0288)G46.C and (T0288)T47.C only 0.000 apart, marking (T0288)T47.C as missing WARNING: atoms too close: (T0288)T47.N and (T0288)V48.N only 0.000 apart, marking (T0288)T47.N as missing WARNING: atoms too close: (T0288)T47.CA and (T0288)V48.CA only 0.000 apart, marking (T0288)T47.CA as missing # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.910 # GDT_score = -80.056 # GDT_score(maxd=8.000,maxw=2.900)= -82.577 # GDT_score(maxd=8.000,maxw=3.200)= -80.386 # GDT_score(maxd=8.000,maxw=3.500)= -77.745 # GDT_score(maxd=10.000,maxw=3.800)= -79.058 # GDT_score(maxd=10.000,maxw=4.000)= -77.239 # GDT_score(maxd=10.000,maxw=4.200)= -75.311 # GDT_score(maxd=12.000,maxw=4.300)= -77.755 # GDT_score(maxd=12.000,maxw=4.500)= -75.887 # GDT_score(maxd=12.000,maxw=4.700)= -73.956 # GDT_score(maxd=14.000,maxw=5.200)= -72.088 # GDT_score(maxd=14.000,maxw=5.500)= -69.253 # command:# ReadConformPDB reading from PDB file T0288.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0288)N15.C and (T0288)L16.C only 0.000 apart, marking (T0288)L16.C as missing WARNING: atoms too close: (T0288)L16.N and (T0288)I17.N only 0.000 apart, marking (T0288)L16.N as missing WARNING: atoms too close: (T0288)L16.CA and (T0288)I17.CA only 0.000 apart, marking (T0288)L16.CA as missing # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.933 # GDT_score = -80.899 # GDT_score(maxd=8.000,maxw=2.900)= -83.313 # GDT_score(maxd=8.000,maxw=3.200)= -81.121 # GDT_score(maxd=8.000,maxw=3.500)= -78.424 # GDT_score(maxd=10.000,maxw=3.800)= -79.874 # GDT_score(maxd=10.000,maxw=4.000)= -78.039 # GDT_score(maxd=10.000,maxw=4.200)= -76.092 # GDT_score(maxd=12.000,maxw=4.300)= -78.634 # GDT_score(maxd=12.000,maxw=4.500)= -76.757 # GDT_score(maxd=12.000,maxw=4.700)= -74.927 # GDT_score(maxd=14.000,maxw=5.200)= -73.271 # GDT_score(maxd=14.000,maxw=5.500)= -70.413 # command:# ReadConformPDB reading from PDB file T0288.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0288)N15.C and (T0288)L16.C only 0.000 apart, marking (T0288)L16.C as missing WARNING: atoms too close: (T0288)L16.N and (T0288)I17.N only 0.000 apart, marking (T0288)L16.N as missing WARNING: atoms too close: (T0288)L16.CA and (T0288)I17.CA only 0.000 apart, marking (T0288)L16.CA as missing WARNING: atoms too close: (T0288)C28.C and (T0288)P29.C only 0.000 apart, marking (T0288)P29.C as missing WARNING: atoms too close: (T0288)P29.N and (T0288)C30.N only 0.000 apart, marking (T0288)P29.N as missing WARNING: atoms too close: (T0288)P29.CA and (T0288)C30.CA only 0.000 apart, marking (T0288)P29.CA as missing # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0288.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0288.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0288 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 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../refine.model1.ts-submitted looking for model 1 # ReadConformPDB reading from PDB file ../refine.model2.ts-submitted looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model3.ts-submitted looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model4.ts-submitted looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model5.ts-submitted looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try1-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0288.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0288.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try5-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0288.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try7-opt1-scwrl.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0288.try7-opt1.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0288.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try8-opt1-scwrl.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0288.try8-opt1.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0288.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try8-opt2.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0288.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0288.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0288.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file refine-chimera1.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model1.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model2.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model3.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model4.pdb.gz looking for model 1 # Found a chain break before 25 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model5.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr288.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1624799295.pdb -s /var/tmp/to_scwrl_1624799295.seq -o /var/tmp/from_scwrl_1624799295.pdb > /var/tmp/scwrl_1624799295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624799295.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1973926947.pdb -s /var/tmp/to_scwrl_1973926947.seq -o /var/tmp/from_scwrl_1973926947.pdb > /var/tmp/scwrl_1973926947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1973926947.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1502293310.pdb -s /var/tmp/to_scwrl_1502293310.seq -o /var/tmp/from_scwrl_1502293310.pdb > /var/tmp/scwrl_1502293310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1502293310.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1235922060.pdb -s /var/tmp/to_scwrl_1235922060.seq -o /var/tmp/from_scwrl_1235922060.pdb > /var/tmp/scwrl_1235922060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235922060.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_218915656.pdb -s /var/tmp/to_scwrl_218915656.seq -o /var/tmp/from_scwrl_218915656.pdb > /var/tmp/scwrl_218915656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_218915656.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1034513602.pdb -s /var/tmp/to_scwrl_1034513602.seq -o /var/tmp/from_scwrl_1034513602.pdb > /var/tmp/scwrl_1034513602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1034513602.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1559839233.pdb -s /var/tmp/to_scwrl_1559839233.seq -o /var/tmp/from_scwrl_1559839233.pdb > /var/tmp/scwrl_1559839233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559839233.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1545431396.pdb -s /var/tmp/to_scwrl_1545431396.seq -o /var/tmp/from_scwrl_1545431396.pdb > /var/tmp/scwrl_1545431396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1545431396.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_424972593.pdb -s /var/tmp/to_scwrl_424972593.seq -o /var/tmp/from_scwrl_424972593.pdb > /var/tmp/scwrl_424972593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424972593.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1820866911.pdb -s /var/tmp/to_scwrl_1820866911.seq -o /var/tmp/from_scwrl_1820866911.pdb > /var/tmp/scwrl_1820866911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1820866911.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2107914082.pdb -s /var/tmp/to_scwrl_2107914082.seq -o /var/tmp/from_scwrl_2107914082.pdb > /var/tmp/scwrl_2107914082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107914082.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_198393374.pdb -s /var/tmp/to_scwrl_198393374.seq -o /var/tmp/from_scwrl_198393374.pdb > /var/tmp/scwrl_198393374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_198393374.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1111739149.pdb -s /var/tmp/to_scwrl_1111739149.seq -o /var/tmp/from_scwrl_1111739149.pdb > /var/tmp/scwrl_1111739149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1111739149.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1329077860.pdb -s /var/tmp/to_scwrl_1329077860.seq -o /var/tmp/from_scwrl_1329077860.pdb > /var/tmp/scwrl_1329077860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329077860.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 T0288 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_907142598.pdb -s /var/tmp/to_scwrl_907142598.seq -o /var/tmp/from_scwrl_907142598.pdb > /var/tmp/scwrl_907142598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907142598.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 # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_572182466.pdb -s /var/tmp/to_scwrl_572182466.seq -o /var/tmp/from_scwrl_572182466.pdb > /var/tmp/scwrl_572182466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_572182466.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_335191666.pdb -s /var/tmp/to_scwrl_335191666.seq -o /var/tmp/from_scwrl_335191666.pdb > /var/tmp/scwrl_335191666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_335191666.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 88 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_880698300.pdb -s /var/tmp/to_scwrl_880698300.seq -o /var/tmp/from_scwrl_880698300.pdb > /var/tmp/scwrl_880698300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_880698300.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1589237126.pdb -s /var/tmp/to_scwrl_1589237126.seq -o /var/tmp/from_scwrl_1589237126.pdb > /var/tmp/scwrl_1589237126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589237126.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 # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1285475946.pdb -s /var/tmp/to_scwrl_1285475946.seq -o /var/tmp/from_scwrl_1285475946.pdb > /var/tmp/scwrl_1285475946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1285475946.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 90 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_16895607.pdb -s /var/tmp/to_scwrl_16895607.seq -o /var/tmp/from_scwrl_16895607.pdb > /var/tmp/scwrl_16895607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16895607.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 76 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1816365302.pdb -s /var/tmp/to_scwrl_1816365302.seq -o /var/tmp/from_scwrl_1816365302.pdb > /var/tmp/scwrl_1816365302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1816365302.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 90 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_376391777.pdb -s /var/tmp/to_scwrl_376391777.seq -o /var/tmp/from_scwrl_376391777.pdb > /var/tmp/scwrl_376391777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376391777.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 86 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2093455467.pdb -s /var/tmp/to_scwrl_2093455467.seq -o /var/tmp/from_scwrl_2093455467.pdb > /var/tmp/scwrl_2093455467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093455467.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 81 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1140909436.pdb -s /var/tmp/to_scwrl_1140909436.seq -o /var/tmp/from_scwrl_1140909436.pdb > /var/tmp/scwrl_1140909436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140909436.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 # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_864015310.pdb -s /var/tmp/to_scwrl_864015310.seq -o /var/tmp/from_scwrl_864015310.pdb > /var/tmp/scwrl_864015310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_864015310.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1561158501.pdb -s /var/tmp/to_scwrl_1561158501.seq -o /var/tmp/from_scwrl_1561158501.pdb > /var/tmp/scwrl_1561158501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1561158501.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 86 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1025456818.pdb -s /var/tmp/to_scwrl_1025456818.seq -o /var/tmp/from_scwrl_1025456818.pdb > /var/tmp/scwrl_1025456818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1025456818.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1792359701.pdb -s /var/tmp/to_scwrl_1792359701.seq -o /var/tmp/from_scwrl_1792359701.pdb > /var/tmp/scwrl_1792359701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1792359701.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1660337806.pdb -s /var/tmp/to_scwrl_1660337806.seq -o /var/tmp/from_scwrl_1660337806.pdb > /var/tmp/scwrl_1660337806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1660337806.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1835731766.pdb -s /var/tmp/to_scwrl_1835731766.seq -o /var/tmp/from_scwrl_1835731766.pdb > /var/tmp/scwrl_1835731766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1835731766.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1269675349.pdb -s /var/tmp/to_scwrl_1269675349.seq -o /var/tmp/from_scwrl_1269675349.pdb > /var/tmp/scwrl_1269675349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1269675349.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 T0288 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1486781107.pdb -s /var/tmp/to_scwrl_1486781107.seq -o /var/tmp/from_scwrl_1486781107.pdb > /var/tmp/scwrl_1486781107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1486781107.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 58 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1190541429.pdb -s /var/tmp/to_scwrl_1190541429.seq -o /var/tmp/from_scwrl_1190541429.pdb > /var/tmp/scwrl_1190541429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1190541429.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 85 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_358113763.pdb -s /var/tmp/to_scwrl_358113763.seq -o /var/tmp/from_scwrl_358113763.pdb > /var/tmp/scwrl_358113763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358113763.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1705696763.pdb -s /var/tmp/to_scwrl_1705696763.seq -o /var/tmp/from_scwrl_1705696763.pdb > /var/tmp/scwrl_1705696763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1705696763.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_77571384.pdb -s /var/tmp/to_scwrl_77571384.seq -o /var/tmp/from_scwrl_77571384.pdb > /var/tmp/scwrl_77571384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_77571384.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1917952996.pdb -s /var/tmp/to_scwrl_1917952996.seq -o /var/tmp/from_scwrl_1917952996.pdb > /var/tmp/scwrl_1917952996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1917952996.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 T0288 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1103644512.pdb -s /var/tmp/to_scwrl_1103644512.seq -o /var/tmp/from_scwrl_1103644512.pdb > /var/tmp/scwrl_1103644512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1103644512.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_502543977.pdb -s /var/tmp/to_scwrl_502543977.seq -o /var/tmp/from_scwrl_502543977.pdb > /var/tmp/scwrl_502543977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_502543977.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 # Found a chain break before 30 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1591336260.pdb -s /var/tmp/to_scwrl_1591336260.seq -o /var/tmp/from_scwrl_1591336260.pdb > /var/tmp/scwrl_1591336260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1591336260.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 T0288 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1064074949.pdb -s /var/tmp/to_scwrl_1064074949.seq -o /var/tmp/from_scwrl_1064074949.pdb > /var/tmp/scwrl_1064074949.log Error: Couldn't open file /var/tmp/from_scwrl_1064074949.pdb or /var/tmp/from_scwrl_1064074949.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1064074949_b.pdb or decoys//var/tmp/from_scwrl_1064074949_b.pdb.gz for input Trying /var/tmp/from_scwrl_1064074949_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1064074949_b.pdb or /var/tmp/from_scwrl_1064074949_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1064074949_a.pdb or decoys//var/tmp/from_scwrl_1064074949_a.pdb.gz for input Trying /var/tmp/from_scwrl_1064074949_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1064074949_a.pdb or /var/tmp/from_scwrl_1064074949_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1064074949.pdb or /var/tmp/from_scwrl_1064074949_b.pdb or /var/tmp/from_scwrl_1064074949_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 T0288 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_700937351.pdb -s /var/tmp/to_scwrl_700937351.seq -o /var/tmp/from_scwrl_700937351.pdb > /var/tmp/scwrl_700937351.log Error: Couldn't open file /var/tmp/from_scwrl_700937351.pdb or /var/tmp/from_scwrl_700937351.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_700937351_b.pdb or decoys//var/tmp/from_scwrl_700937351_b.pdb.gz for input Trying /var/tmp/from_scwrl_700937351_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_700937351_b.pdb or /var/tmp/from_scwrl_700937351_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_700937351_a.pdb or decoys//var/tmp/from_scwrl_700937351_a.pdb.gz for input Trying /var/tmp/from_scwrl_700937351_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_700937351_a.pdb or /var/tmp/from_scwrl_700937351_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_700937351.pdb or /var/tmp/from_scwrl_700937351_b.pdb or /var/tmp/from_scwrl_700937351_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 T0288 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_555591764.pdb -s /var/tmp/to_scwrl_555591764.seq -o /var/tmp/from_scwrl_555591764.pdb > /var/tmp/scwrl_555591764.log Error: Couldn't open file /var/tmp/from_scwrl_555591764.pdb or /var/tmp/from_scwrl_555591764.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_555591764_b.pdb or decoys//var/tmp/from_scwrl_555591764_b.pdb.gz for input Trying /var/tmp/from_scwrl_555591764_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_555591764_b.pdb or /var/tmp/from_scwrl_555591764_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_555591764_a.pdb or decoys//var/tmp/from_scwrl_555591764_a.pdb.gz for input Trying /var/tmp/from_scwrl_555591764_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_555591764_a.pdb or /var/tmp/from_scwrl_555591764_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_555591764.pdb or /var/tmp/from_scwrl_555591764_b.pdb or /var/tmp/from_scwrl_555591764_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 T0288 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_245669162.pdb -s /var/tmp/to_scwrl_245669162.seq -o /var/tmp/from_scwrl_245669162.pdb > /var/tmp/scwrl_245669162.log Error: Couldn't open file /var/tmp/from_scwrl_245669162.pdb or /var/tmp/from_scwrl_245669162.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_245669162_b.pdb or decoys//var/tmp/from_scwrl_245669162_b.pdb.gz for input Trying /var/tmp/from_scwrl_245669162_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_245669162_b.pdb or /var/tmp/from_scwrl_245669162_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_245669162_a.pdb or decoys//var/tmp/from_scwrl_245669162_a.pdb.gz for input Trying /var/tmp/from_scwrl_245669162_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_245669162_a.pdb or /var/tmp/from_scwrl_245669162_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_245669162.pdb or /var/tmp/from_scwrl_245669162_b.pdb or /var/tmp/from_scwrl_245669162_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 T0288 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1608079949.pdb -s /var/tmp/to_scwrl_1608079949.seq -o /var/tmp/from_scwrl_1608079949.pdb > /var/tmp/scwrl_1608079949.log Error: Couldn't open file /var/tmp/from_scwrl_1608079949.pdb or /var/tmp/from_scwrl_1608079949.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1608079949_b.pdb or decoys//var/tmp/from_scwrl_1608079949_b.pdb.gz for input Trying /var/tmp/from_scwrl_1608079949_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1608079949_b.pdb or /var/tmp/from_scwrl_1608079949_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1608079949_a.pdb or decoys//var/tmp/from_scwrl_1608079949_a.pdb.gz for input Trying /var/tmp/from_scwrl_1608079949_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1608079949_a.pdb or /var/tmp/from_scwrl_1608079949_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1608079949.pdb or /var/tmp/from_scwrl_1608079949_b.pdb or /var/tmp/from_scwrl_1608079949_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 37 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1127774229.pdb -s /var/tmp/to_scwrl_1127774229.seq -o /var/tmp/from_scwrl_1127774229.pdb > /var/tmp/scwrl_1127774229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1127774229.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_580860828.pdb -s /var/tmp/to_scwrl_580860828.seq -o /var/tmp/from_scwrl_580860828.pdb > /var/tmp/scwrl_580860828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_580860828.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 T0288 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_341294602.pdb -s /var/tmp/to_scwrl_341294602.seq -o /var/tmp/from_scwrl_341294602.pdb > /var/tmp/scwrl_341294602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_341294602.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 T0288 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_569527709.pdb -s /var/tmp/to_scwrl_569527709.seq -o /var/tmp/from_scwrl_569527709.pdb > /var/tmp/scwrl_569527709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_569527709.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 T0288 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1866336774.pdb -s /var/tmp/to_scwrl_1866336774.seq -o /var/tmp/from_scwrl_1866336774.pdb > /var/tmp/scwrl_1866336774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1866336774.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 62 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_358190209.pdb -s /var/tmp/to_scwrl_358190209.seq -o /var/tmp/from_scwrl_358190209.pdb > /var/tmp/scwrl_358190209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358190209.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 92 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_238409364.pdb -s /var/tmp/to_scwrl_238409364.seq -o /var/tmp/from_scwrl_238409364.pdb > /var/tmp/scwrl_238409364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_238409364.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 91 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_95244904.pdb -s /var/tmp/to_scwrl_95244904.seq -o /var/tmp/from_scwrl_95244904.pdb > /var/tmp/scwrl_95244904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_95244904.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_304162029.pdb -s /var/tmp/to_scwrl_304162029.seq -o /var/tmp/from_scwrl_304162029.pdb > /var/tmp/scwrl_304162029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_304162029.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 90 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1379318800.pdb -s /var/tmp/to_scwrl_1379318800.seq -o /var/tmp/from_scwrl_1379318800.pdb > /var/tmp/scwrl_1379318800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379318800.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 28 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_959260214.pdb -s /var/tmp/to_scwrl_959260214.seq -o /var/tmp/from_scwrl_959260214.pdb > /var/tmp/scwrl_959260214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_959260214.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 73 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1865320530.pdb -s /var/tmp/to_scwrl_1865320530.seq -o /var/tmp/from_scwrl_1865320530.pdb > /var/tmp/scwrl_1865320530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865320530.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 30 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_257291972.pdb -s /var/tmp/to_scwrl_257291972.seq -o /var/tmp/from_scwrl_257291972.pdb > /var/tmp/scwrl_257291972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257291972.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 59 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_604136268.pdb -s /var/tmp/to_scwrl_604136268.seq -o /var/tmp/from_scwrl_604136268.pdb > /var/tmp/scwrl_604136268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_604136268.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 45 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1378174690.pdb -s /var/tmp/to_scwrl_1378174690.seq -o /var/tmp/from_scwrl_1378174690.pdb > /var/tmp/scwrl_1378174690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1378174690.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2093023738.pdb -s /var/tmp/to_scwrl_2093023738.seq -o /var/tmp/from_scwrl_2093023738.pdb > /var/tmp/scwrl_2093023738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093023738.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1873811617.pdb -s /var/tmp/to_scwrl_1873811617.seq -o /var/tmp/from_scwrl_1873811617.pdb > /var/tmp/scwrl_1873811617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873811617.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_717472151.pdb -s /var/tmp/to_scwrl_717472151.seq -o /var/tmp/from_scwrl_717472151.pdb > /var/tmp/scwrl_717472151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_717472151.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 T0288 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1136081520.pdb -s /var/tmp/to_scwrl_1136081520.seq -o /var/tmp/from_scwrl_1136081520.pdb > /var/tmp/scwrl_1136081520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1136081520.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_84441734.pdb -s /var/tmp/to_scwrl_84441734.seq -o /var/tmp/from_scwrl_84441734.pdb > /var/tmp/scwrl_84441734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_84441734.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 T0288 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_275685267.pdb -s /var/tmp/to_scwrl_275685267.seq -o /var/tmp/from_scwrl_275685267.pdb > /var/tmp/scwrl_275685267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_275685267.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1213652904.pdb -s /var/tmp/to_scwrl_1213652904.seq -o /var/tmp/from_scwrl_1213652904.pdb > /var/tmp/scwrl_1213652904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1213652904.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2002394730.pdb -s /var/tmp/to_scwrl_2002394730.seq -o /var/tmp/from_scwrl_2002394730.pdb > /var/tmp/scwrl_2002394730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2002394730.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1379329779.pdb -s /var/tmp/to_scwrl_1379329779.seq -o /var/tmp/from_scwrl_1379329779.pdb > /var/tmp/scwrl_1379329779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379329779.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1716196881.pdb -s /var/tmp/to_scwrl_1716196881.seq -o /var/tmp/from_scwrl_1716196881.pdb > /var/tmp/scwrl_1716196881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716196881.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 92 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1446247344.pdb -s /var/tmp/to_scwrl_1446247344.seq -o /var/tmp/from_scwrl_1446247344.pdb > /var/tmp/scwrl_1446247344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1446247344.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_295921081.pdb -s /var/tmp/to_scwrl_295921081.seq -o /var/tmp/from_scwrl_295921081.pdb > /var/tmp/scwrl_295921081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_295921081.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 T0288 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_269650585.pdb -s /var/tmp/to_scwrl_269650585.seq -o /var/tmp/from_scwrl_269650585.pdb > /var/tmp/scwrl_269650585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_269650585.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2001839108.pdb -s /var/tmp/to_scwrl_2001839108.seq -o /var/tmp/from_scwrl_2001839108.pdb > /var/tmp/scwrl_2001839108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2001839108.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 T0288 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_541590243.pdb -s /var/tmp/to_scwrl_541590243.seq -o /var/tmp/from_scwrl_541590243.pdb > /var/tmp/scwrl_541590243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_541590243.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 T0288 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1877730534.pdb -s /var/tmp/to_scwrl_1877730534.seq -o /var/tmp/from_scwrl_1877730534.pdb > /var/tmp/scwrl_1877730534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877730534.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 T0288 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_982129691.pdb -s /var/tmp/to_scwrl_982129691.seq -o /var/tmp/from_scwrl_982129691.pdb > /var/tmp/scwrl_982129691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_982129691.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 Skipped atom 211, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1122451070.pdb -s /var/tmp/to_scwrl_1122451070.seq -o /var/tmp/from_scwrl_1122451070.pdb > /var/tmp/scwrl_1122451070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122451070.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 T0288 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_71541489.pdb -s /var/tmp/to_scwrl_71541489.seq -o /var/tmp/from_scwrl_71541489.pdb > /var/tmp/scwrl_71541489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71541489.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 T0288 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1551657399.pdb -s /var/tmp/to_scwrl_1551657399.seq -o /var/tmp/from_scwrl_1551657399.pdb > /var/tmp/scwrl_1551657399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1551657399.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_841304198.pdb -s /var/tmp/to_scwrl_841304198.seq -o /var/tmp/from_scwrl_841304198.pdb > /var/tmp/scwrl_841304198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841304198.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_429731698.pdb -s /var/tmp/to_scwrl_429731698.seq -o /var/tmp/from_scwrl_429731698.pdb > /var/tmp/scwrl_429731698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_429731698.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1790066763.pdb -s /var/tmp/to_scwrl_1790066763.seq -o /var/tmp/from_scwrl_1790066763.pdb > /var/tmp/scwrl_1790066763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1790066763.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_936549102.pdb -s /var/tmp/to_scwrl_936549102.seq -o /var/tmp/from_scwrl_936549102.pdb > /var/tmp/scwrl_936549102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936549102.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_733893728.pdb -s /var/tmp/to_scwrl_733893728.seq -o /var/tmp/from_scwrl_733893728.pdb > /var/tmp/scwrl_733893728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_733893728.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1021901918.pdb -s /var/tmp/to_scwrl_1021901918.seq -o /var/tmp/from_scwrl_1021901918.pdb > /var/tmp/scwrl_1021901918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1021901918.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 # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1895809315.pdb -s /var/tmp/to_scwrl_1895809315.seq -o /var/tmp/from_scwrl_1895809315.pdb > /var/tmp/scwrl_1895809315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895809315.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 23 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_451730611.pdb -s /var/tmp/to_scwrl_451730611.seq -o /var/tmp/from_scwrl_451730611.pdb > /var/tmp/scwrl_451730611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_451730611.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 # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1279193889.pdb -s /var/tmp/to_scwrl_1279193889.seq -o /var/tmp/from_scwrl_1279193889.pdb > /var/tmp/scwrl_1279193889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279193889.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 # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_352461936.pdb -s /var/tmp/to_scwrl_352461936.seq -o /var/tmp/from_scwrl_352461936.pdb > /var/tmp/scwrl_352461936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352461936.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1829905301.pdb -s /var/tmp/to_scwrl_1829905301.seq -o /var/tmp/from_scwrl_1829905301.pdb > /var/tmp/scwrl_1829905301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1829905301.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1224733980.pdb -s /var/tmp/to_scwrl_1224733980.seq -o /var/tmp/from_scwrl_1224733980.pdb > /var/tmp/scwrl_1224733980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224733980.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 # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_78789907.pdb -s /var/tmp/to_scwrl_78789907.seq -o /var/tmp/from_scwrl_78789907.pdb > /var/tmp/scwrl_78789907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78789907.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 # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_399893805.pdb -s /var/tmp/to_scwrl_399893805.seq -o /var/tmp/from_scwrl_399893805.pdb > /var/tmp/scwrl_399893805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399893805.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_213331854.pdb -s /var/tmp/to_scwrl_213331854.seq -o /var/tmp/from_scwrl_213331854.pdb > /var/tmp/scwrl_213331854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213331854.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_163231641.pdb -s /var/tmp/to_scwrl_163231641.seq -o /var/tmp/from_scwrl_163231641.pdb > /var/tmp/scwrl_163231641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_163231641.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_675579072.pdb -s /var/tmp/to_scwrl_675579072.seq -o /var/tmp/from_scwrl_675579072.pdb > /var/tmp/scwrl_675579072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_675579072.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1426984758.pdb -s /var/tmp/to_scwrl_1426984758.seq -o /var/tmp/from_scwrl_1426984758.pdb > /var/tmp/scwrl_1426984758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1426984758.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 T0288 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_18142724.pdb -s /var/tmp/to_scwrl_18142724.seq -o /var/tmp/from_scwrl_18142724.pdb > /var/tmp/scwrl_18142724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_18142724.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 T0288 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2054908852.pdb -s /var/tmp/to_scwrl_2054908852.seq -o /var/tmp/from_scwrl_2054908852.pdb > /var/tmp/scwrl_2054908852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054908852.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_995697993.pdb -s /var/tmp/to_scwrl_995697993.seq -o /var/tmp/from_scwrl_995697993.pdb > /var/tmp/scwrl_995697993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995697993.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 T0288 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1464390068.pdb -s /var/tmp/to_scwrl_1464390068.seq -o /var/tmp/from_scwrl_1464390068.pdb > /var/tmp/scwrl_1464390068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1464390068.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 T0288 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_203346286.pdb -s /var/tmp/to_scwrl_203346286.seq -o /var/tmp/from_scwrl_203346286.pdb > /var/tmp/scwrl_203346286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_203346286.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1265348577.pdb -s /var/tmp/to_scwrl_1265348577.seq -o /var/tmp/from_scwrl_1265348577.pdb > /var/tmp/scwrl_1265348577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1265348577.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 T0288 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1318745529.pdb -s /var/tmp/to_scwrl_1318745529.seq -o /var/tmp/from_scwrl_1318745529.pdb > /var/tmp/scwrl_1318745529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1318745529.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_744936530.pdb -s /var/tmp/to_scwrl_744936530.seq -o /var/tmp/from_scwrl_744936530.pdb > /var/tmp/scwrl_744936530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_744936530.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 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_995595466.pdb -s /var/tmp/to_scwrl_995595466.seq -o /var/tmp/from_scwrl_995595466.pdb > /var/tmp/scwrl_995595466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995595466.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 T0288 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_153391573.pdb -s /var/tmp/to_scwrl_153391573.seq -o /var/tmp/from_scwrl_153391573.pdb > /var/tmp/scwrl_153391573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153391573.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_FLEX_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation MIG_FROST_FLEX_AL1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1867387600.pdb -s /var/tmp/to_scwrl_1867387600.seq -o /var/tmp/from_scwrl_1867387600.pdb > /var/tmp/scwrl_1867387600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867387600.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_FLEX_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1067136955.pdb -s /var/tmp/to_scwrl_1067136955.seq -o /var/tmp/from_scwrl_1067136955.pdb > /var/tmp/scwrl_1067136955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067136955.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 28 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1705048972.pdb -s /var/tmp/to_scwrl_1705048972.seq -o /var/tmp/from_scwrl_1705048972.pdb > /var/tmp/scwrl_1705048972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1705048972.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 # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_561208152.pdb -s /var/tmp/to_scwrl_561208152.seq -o /var/tmp/from_scwrl_561208152.pdb > /var/tmp/scwrl_561208152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_561208152.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 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1496868653.pdb -s /var/tmp/to_scwrl_1496868653.seq -o /var/tmp/from_scwrl_1496868653.pdb > /var/tmp/scwrl_1496868653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1496868653.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1347632089.pdb -s /var/tmp/to_scwrl_1347632089.seq -o /var/tmp/from_scwrl_1347632089.pdb > /var/tmp/scwrl_1347632089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347632089.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 92 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1497757253.pdb -s /var/tmp/to_scwrl_1497757253.seq -o /var/tmp/from_scwrl_1497757253.pdb > /var/tmp/scwrl_1497757253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1497757253.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 92 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_83278734.pdb -s /var/tmp/to_scwrl_83278734.seq -o /var/tmp/from_scwrl_83278734.pdb > /var/tmp/scwrl_83278734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_83278734.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 92 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_222050360.pdb -s /var/tmp/to_scwrl_222050360.seq -o /var/tmp/from_scwrl_222050360.pdb > /var/tmp/scwrl_222050360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_222050360.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-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 84 ; scwrl3 -i /var/tmp/to_scwrl_1246082922.pdb -s /var/tmp/to_scwrl_1246082922.seq -o /var/tmp/from_scwrl_1246082922.pdb > /var/tmp/scwrl_1246082922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246082922.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 84 ; scwrl3 -i /var/tmp/to_scwrl_535009345.pdb -s /var/tmp/to_scwrl_535009345.seq -o /var/tmp/from_scwrl_535009345.pdb > /var/tmp/scwrl_535009345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535009345.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 84 ; scwrl3 -i /var/tmp/to_scwrl_1501244249.pdb -s /var/tmp/to_scwrl_1501244249.seq -o /var/tmp/from_scwrl_1501244249.pdb > /var/tmp/scwrl_1501244249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1501244249.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 84 ; scwrl3 -i /var/tmp/to_scwrl_1598544858.pdb -s /var/tmp/to_scwrl_1598544858.seq -o /var/tmp/from_scwrl_1598544858.pdb > /var/tmp/scwrl_1598544858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598544858.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 84 ; scwrl3 -i /var/tmp/to_scwrl_217431000.pdb -s /var/tmp/to_scwrl_217431000.seq -o /var/tmp/from_scwrl_217431000.pdb > /var/tmp/scwrl_217431000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_217431000.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 38 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_578494583.pdb -s /var/tmp/to_scwrl_578494583.seq -o /var/tmp/from_scwrl_578494583.pdb > /var/tmp/scwrl_578494583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_578494583.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1677334765.pdb -s /var/tmp/to_scwrl_1677334765.seq -o /var/tmp/from_scwrl_1677334765.pdb > /var/tmp/scwrl_1677334765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1677334765.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_617324805.pdb -s /var/tmp/to_scwrl_617324805.seq -o /var/tmp/from_scwrl_617324805.pdb > /var/tmp/scwrl_617324805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_617324805.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 84 ; scwrl3 -i /var/tmp/to_scwrl_791826437.pdb -s /var/tmp/to_scwrl_791826437.seq -o /var/tmp/from_scwrl_791826437.pdb > /var/tmp/scwrl_791826437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_791826437.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 77 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1840566406.pdb -s /var/tmp/to_scwrl_1840566406.seq -o /var/tmp/from_scwrl_1840566406.pdb > /var/tmp/scwrl_1840566406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1840566406.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 T0288 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1292903877.pdb -s /var/tmp/to_scwrl_1292903877.seq -o /var/tmp/from_scwrl_1292903877.pdb > /var/tmp/scwrl_1292903877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292903877.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 T0288 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_71327548.pdb -s /var/tmp/to_scwrl_71327548.seq -o /var/tmp/from_scwrl_71327548.pdb > /var/tmp/scwrl_71327548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71327548.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 T0288 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1858709131.pdb -s /var/tmp/to_scwrl_1858709131.seq -o /var/tmp/from_scwrl_1858709131.pdb > /var/tmp/scwrl_1858709131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858709131.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 T0288 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1200329082.pdb -s /var/tmp/to_scwrl_1200329082.seq -o /var/tmp/from_scwrl_1200329082.pdb > /var/tmp/scwrl_1200329082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1200329082.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 T0288 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1067025541.pdb -s /var/tmp/to_scwrl_1067025541.seq -o /var/tmp/from_scwrl_1067025541.pdb > /var/tmp/scwrl_1067025541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067025541.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 T0288 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1175615552.pdb -s /var/tmp/to_scwrl_1175615552.seq -o /var/tmp/from_scwrl_1175615552.pdb > /var/tmp/scwrl_1175615552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1175615552.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1403675368.pdb -s /var/tmp/to_scwrl_1403675368.seq -o /var/tmp/from_scwrl_1403675368.pdb > /var/tmp/scwrl_1403675368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403675368.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 T0288 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_184890471.pdb -s /var/tmp/to_scwrl_184890471.seq -o /var/tmp/from_scwrl_184890471.pdb > /var/tmp/scwrl_184890471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184890471.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 T0288 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_346877436.pdb -s /var/tmp/to_scwrl_346877436.seq -o /var/tmp/from_scwrl_346877436.pdb > /var/tmp/scwrl_346877436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346877436.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 T0288 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1128251.pdb -s /var/tmp/to_scwrl_1128251.seq -o /var/tmp/from_scwrl_1128251.pdb > /var/tmp/scwrl_1128251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128251.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 T0288 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1180485936.pdb -s /var/tmp/to_scwrl_1180485936.seq -o /var/tmp/from_scwrl_1180485936.pdb > /var/tmp/scwrl_1180485936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180485936.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_500269009.pdb -s /var/tmp/to_scwrl_500269009.seq -o /var/tmp/from_scwrl_500269009.pdb > /var/tmp/scwrl_500269009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_500269009.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 28 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1868515852.pdb -s /var/tmp/to_scwrl_1868515852.seq -o /var/tmp/from_scwrl_1868515852.pdb > /var/tmp/scwrl_1868515852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1868515852.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_100139245.pdb -s /var/tmp/to_scwrl_100139245.seq -o /var/tmp/from_scwrl_100139245.pdb > /var/tmp/scwrl_100139245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100139245.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 25 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_57834335.pdb -s /var/tmp/to_scwrl_57834335.seq -o /var/tmp/from_scwrl_57834335.pdb > /var/tmp/scwrl_57834335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57834335.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 T0288 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_282240357.pdb -s /var/tmp/to_scwrl_282240357.seq -o /var/tmp/from_scwrl_282240357.pdb > /var/tmp/scwrl_282240357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_282240357.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1597007898.pdb -s /var/tmp/to_scwrl_1597007898.seq -o /var/tmp/from_scwrl_1597007898.pdb > /var/tmp/scwrl_1597007898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1597007898.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1405466424.pdb -s /var/tmp/to_scwrl_1405466424.seq -o /var/tmp/from_scwrl_1405466424.pdb > /var/tmp/scwrl_1405466424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1405466424.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 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1779997610.pdb -s /var/tmp/to_scwrl_1779997610.seq -o /var/tmp/from_scwrl_1779997610.pdb > /var/tmp/scwrl_1779997610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779997610.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1680286632.pdb -s /var/tmp/to_scwrl_1680286632.seq -o /var/tmp/from_scwrl_1680286632.pdb > /var/tmp/scwrl_1680286632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680286632.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 # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1627516784.pdb -s /var/tmp/to_scwrl_1627516784.seq -o /var/tmp/from_scwrl_1627516784.pdb > /var/tmp/scwrl_1627516784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1627516784.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 62 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_878596886.pdb -s /var/tmp/to_scwrl_878596886.seq -o /var/tmp/from_scwrl_878596886.pdb > /var/tmp/scwrl_878596886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_878596886.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 28 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_67812330.pdb -s /var/tmp/to_scwrl_67812330.seq -o /var/tmp/from_scwrl_67812330.pdb > /var/tmp/scwrl_67812330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67812330.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 40 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_981277387.pdb -s /var/tmp/to_scwrl_981277387.seq -o /var/tmp/from_scwrl_981277387.pdb > /var/tmp/scwrl_981277387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_981277387.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 28 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_329658098.pdb -s /var/tmp/to_scwrl_329658098.seq -o /var/tmp/from_scwrl_329658098.pdb > /var/tmp/scwrl_329658098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_329658098.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 28 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_285243330.pdb -s /var/tmp/to_scwrl_285243330.seq -o /var/tmp/from_scwrl_285243330.pdb > /var/tmp/scwrl_285243330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_285243330.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1559771969.pdb -s /var/tmp/to_scwrl_1559771969.seq -o /var/tmp/from_scwrl_1559771969.pdb > /var/tmp/scwrl_1559771969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559771969.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 78 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2006992863.pdb -s /var/tmp/to_scwrl_2006992863.seq -o /var/tmp/from_scwrl_2006992863.pdb > /var/tmp/scwrl_2006992863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2006992863.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 84 ; scwrl3 -i /var/tmp/to_scwrl_902568136.pdb -s /var/tmp/to_scwrl_902568136.seq -o /var/tmp/from_scwrl_902568136.pdb > /var/tmp/scwrl_902568136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902568136.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_204114759.pdb -s /var/tmp/to_scwrl_204114759.seq -o /var/tmp/from_scwrl_204114759.pdb > /var/tmp/scwrl_204114759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204114759.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 84 ; scwrl3 -i /var/tmp/to_scwrl_1700075623.pdb -s /var/tmp/to_scwrl_1700075623.seq -o /var/tmp/from_scwrl_1700075623.pdb > /var/tmp/scwrl_1700075623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700075623.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 28 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_47988366.pdb -s /var/tmp/to_scwrl_47988366.seq -o /var/tmp/from_scwrl_47988366.pdb > /var/tmp/scwrl_47988366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47988366.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 # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_275442307.pdb -s /var/tmp/to_scwrl_275442307.seq -o /var/tmp/from_scwrl_275442307.pdb > /var/tmp/scwrl_275442307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_275442307.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 27 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1411301107.pdb -s /var/tmp/to_scwrl_1411301107.seq -o /var/tmp/from_scwrl_1411301107.pdb > /var/tmp/scwrl_1411301107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411301107.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 25 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1248317448.pdb -s /var/tmp/to_scwrl_1248317448.seq -o /var/tmp/from_scwrl_1248317448.pdb > /var/tmp/scwrl_1248317448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1248317448.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 27 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1342467847.pdb -s /var/tmp/to_scwrl_1342467847.seq -o /var/tmp/from_scwrl_1342467847.pdb > /var/tmp/scwrl_1342467847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1342467847.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 15 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_439433013.pdb -s /var/tmp/to_scwrl_439433013.seq -o /var/tmp/from_scwrl_439433013.pdb > /var/tmp/scwrl_439433013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_439433013.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_504509170.pdb -s /var/tmp/to_scwrl_504509170.seq -o /var/tmp/from_scwrl_504509170.pdb > /var/tmp/scwrl_504509170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504509170.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 # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1527358318.pdb -s /var/tmp/to_scwrl_1527358318.seq -o /var/tmp/from_scwrl_1527358318.pdb > /var/tmp/scwrl_1527358318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1527358318.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_786310449.pdb -s /var/tmp/to_scwrl_786310449.seq -o /var/tmp/from_scwrl_786310449.pdb > /var/tmp/scwrl_786310449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786310449.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_505637422.pdb -s /var/tmp/to_scwrl_505637422.seq -o /var/tmp/from_scwrl_505637422.pdb > /var/tmp/scwrl_505637422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_505637422.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_560360609.pdb -s /var/tmp/to_scwrl_560360609.seq -o /var/tmp/from_scwrl_560360609.pdb > /var/tmp/scwrl_560360609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_560360609.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 T0288 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1286579458.pdb -s /var/tmp/to_scwrl_1286579458.seq -o /var/tmp/from_scwrl_1286579458.pdb > /var/tmp/scwrl_1286579458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1286579458.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 15, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_226669627.pdb -s /var/tmp/to_scwrl_226669627.seq -o /var/tmp/from_scwrl_226669627.pdb > /var/tmp/scwrl_226669627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_226669627.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_660499854.pdb -s /var/tmp/to_scwrl_660499854.seq -o /var/tmp/from_scwrl_660499854.pdb > /var/tmp/scwrl_660499854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660499854.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1344413793.pdb -s /var/tmp/to_scwrl_1344413793.seq -o /var/tmp/from_scwrl_1344413793.pdb > /var/tmp/scwrl_1344413793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344413793.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_508909984.pdb -s /var/tmp/to_scwrl_508909984.seq -o /var/tmp/from_scwrl_508909984.pdb > /var/tmp/scwrl_508909984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508909984.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_110024105.pdb -s /var/tmp/to_scwrl_110024105.seq -o /var/tmp/from_scwrl_110024105.pdb > /var/tmp/scwrl_110024105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110024105.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 291, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_602396571.pdb -s /var/tmp/to_scwrl_602396571.seq -o /var/tmp/from_scwrl_602396571.pdb > /var/tmp/scwrl_602396571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_602396571.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_141423947.pdb -s /var/tmp/to_scwrl_141423947.seq -o /var/tmp/from_scwrl_141423947.pdb > /var/tmp/scwrl_141423947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_141423947.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1790310737.pdb -s /var/tmp/to_scwrl_1790310737.seq -o /var/tmp/from_scwrl_1790310737.pdb > /var/tmp/scwrl_1790310737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1790310737.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_82429708.pdb -s /var/tmp/to_scwrl_82429708.seq -o /var/tmp/from_scwrl_82429708.pdb > /var/tmp/scwrl_82429708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_82429708.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 T0288 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1020020834.pdb -s /var/tmp/to_scwrl_1020020834.seq -o /var/tmp/from_scwrl_1020020834.pdb > /var/tmp/scwrl_1020020834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1020020834.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 T0288 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1858123067.pdb -s /var/tmp/to_scwrl_1858123067.seq -o /var/tmp/from_scwrl_1858123067.pdb > /var/tmp/scwrl_1858123067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858123067.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 T0288 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1063707095.pdb -s /var/tmp/to_scwrl_1063707095.seq -o /var/tmp/from_scwrl_1063707095.pdb > /var/tmp/scwrl_1063707095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1063707095.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 T0288 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1349678931.pdb -s /var/tmp/to_scwrl_1349678931.seq -o /var/tmp/from_scwrl_1349678931.pdb > /var/tmp/scwrl_1349678931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349678931.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 61 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2143366398.pdb -s /var/tmp/to_scwrl_2143366398.seq -o /var/tmp/from_scwrl_2143366398.pdb > /var/tmp/scwrl_2143366398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2143366398.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 63 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_475995417.pdb -s /var/tmp/to_scwrl_475995417.seq -o /var/tmp/from_scwrl_475995417.pdb > /var/tmp/scwrl_475995417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_475995417.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 79 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1209188147.pdb -s /var/tmp/to_scwrl_1209188147.seq -o /var/tmp/from_scwrl_1209188147.pdb > /var/tmp/scwrl_1209188147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209188147.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 84 ; scwrl3 -i /var/tmp/to_scwrl_898450887.pdb -s /var/tmp/to_scwrl_898450887.seq -o /var/tmp/from_scwrl_898450887.pdb > /var/tmp/scwrl_898450887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898450887.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_680110176.pdb -s /var/tmp/to_scwrl_680110176.seq -o /var/tmp/from_scwrl_680110176.pdb > /var/tmp/scwrl_680110176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_680110176.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 63 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_761780124.pdb -s /var/tmp/to_scwrl_761780124.seq -o /var/tmp/from_scwrl_761780124.pdb > /var/tmp/scwrl_761780124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761780124.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_946439253.pdb -s /var/tmp/to_scwrl_946439253.seq -o /var/tmp/from_scwrl_946439253.pdb > /var/tmp/scwrl_946439253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_946439253.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 87 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_955552483.pdb -s /var/tmp/to_scwrl_955552483.seq -o /var/tmp/from_scwrl_955552483.pdb > /var/tmp/scwrl_955552483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_955552483.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_25597584.pdb -s /var/tmp/to_scwrl_25597584.seq -o /var/tmp/from_scwrl_25597584.pdb > /var/tmp/scwrl_25597584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25597584.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 22 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_47273054.pdb -s /var/tmp/to_scwrl_47273054.seq -o /var/tmp/from_scwrl_47273054.pdb > /var/tmp/scwrl_47273054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47273054.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 61 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_150536683.pdb -s /var/tmp/to_scwrl_150536683.seq -o /var/tmp/from_scwrl_150536683.pdb > /var/tmp/scwrl_150536683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150536683.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 63 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_465030598.pdb -s /var/tmp/to_scwrl_465030598.seq -o /var/tmp/from_scwrl_465030598.pdb > /var/tmp/scwrl_465030598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465030598.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_551782224.pdb -s /var/tmp/to_scwrl_551782224.seq -o /var/tmp/from_scwrl_551782224.pdb > /var/tmp/scwrl_551782224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_551782224.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 # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1677895001.pdb -s /var/tmp/to_scwrl_1677895001.seq -o /var/tmp/from_scwrl_1677895001.pdb > /var/tmp/scwrl_1677895001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1677895001.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1251341046.pdb -s /var/tmp/to_scwrl_1251341046.seq -o /var/tmp/from_scwrl_1251341046.pdb > /var/tmp/scwrl_1251341046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1251341046.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 T0288 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1057419646.pdb -s /var/tmp/to_scwrl_1057419646.seq -o /var/tmp/from_scwrl_1057419646.pdb > /var/tmp/scwrl_1057419646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057419646.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 T0288 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_90771963.pdb -s /var/tmp/to_scwrl_90771963.seq -o /var/tmp/from_scwrl_90771963.pdb > /var/tmp/scwrl_90771963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_90771963.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 T0288 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_390436858.pdb -s /var/tmp/to_scwrl_390436858.seq -o /var/tmp/from_scwrl_390436858.pdb > /var/tmp/scwrl_390436858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_390436858.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 T0288 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1284089272.pdb -s /var/tmp/to_scwrl_1284089272.seq -o /var/tmp/from_scwrl_1284089272.pdb > /var/tmp/scwrl_1284089272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284089272.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 T0288 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_751271817.pdb -s /var/tmp/to_scwrl_751271817.seq -o /var/tmp/from_scwrl_751271817.pdb > /var/tmp/scwrl_751271817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751271817.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1734850651.pdb -s /var/tmp/to_scwrl_1734850651.seq -o /var/tmp/from_scwrl_1734850651.pdb > /var/tmp/scwrl_1734850651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734850651.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1792999256.pdb -s /var/tmp/to_scwrl_1792999256.seq -o /var/tmp/from_scwrl_1792999256.pdb > /var/tmp/scwrl_1792999256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1792999256.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 T0288 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_861295922.pdb -s /var/tmp/to_scwrl_861295922.seq -o /var/tmp/from_scwrl_861295922.pdb > /var/tmp/scwrl_861295922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_861295922.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 T0288 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_189763575.pdb -s /var/tmp/to_scwrl_189763575.seq -o /var/tmp/from_scwrl_189763575.pdb > /var/tmp/scwrl_189763575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_189763575.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1934423204.pdb -s /var/tmp/to_scwrl_1934423204.seq -o /var/tmp/from_scwrl_1934423204.pdb > /var/tmp/scwrl_1934423204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934423204.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 T0288 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_504123012.pdb -s /var/tmp/to_scwrl_504123012.seq -o /var/tmp/from_scwrl_504123012.pdb > /var/tmp/scwrl_504123012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504123012.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 62 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_272193283.pdb -s /var/tmp/to_scwrl_272193283.seq -o /var/tmp/from_scwrl_272193283.pdb > /var/tmp/scwrl_272193283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_272193283.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 25 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_806960391.pdb -s /var/tmp/to_scwrl_806960391.seq -o /var/tmp/from_scwrl_806960391.pdb > /var/tmp/scwrl_806960391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806960391.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 # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_214762433.pdb -s /var/tmp/to_scwrl_214762433.seq -o /var/tmp/from_scwrl_214762433.pdb > /var/tmp/scwrl_214762433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214762433.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 # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1335900377.pdb -s /var/tmp/to_scwrl_1335900377.seq -o /var/tmp/from_scwrl_1335900377.pdb > /var/tmp/scwrl_1335900377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1335900377.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_9155675.pdb -s /var/tmp/to_scwrl_9155675.seq -o /var/tmp/from_scwrl_9155675.pdb > /var/tmp/scwrl_9155675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_9155675.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 90 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_210645184.pdb -s /var/tmp/to_scwrl_210645184.seq -o /var/tmp/from_scwrl_210645184.pdb > /var/tmp/scwrl_210645184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_210645184.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 T0288 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1811895794.pdb -s /var/tmp/to_scwrl_1811895794.seq -o /var/tmp/from_scwrl_1811895794.pdb > /var/tmp/scwrl_1811895794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1811895794.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1218343822.pdb -s /var/tmp/to_scwrl_1218343822.seq -o /var/tmp/from_scwrl_1218343822.pdb > /var/tmp/scwrl_1218343822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1218343822.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1109096070.pdb -s /var/tmp/to_scwrl_1109096070.seq -o /var/tmp/from_scwrl_1109096070.pdb > /var/tmp/scwrl_1109096070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1109096070.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 T0288 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_344522323.pdb -s /var/tmp/to_scwrl_344522323.seq -o /var/tmp/from_scwrl_344522323.pdb > /var/tmp/scwrl_344522323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344522323.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1980123947.pdb -s /var/tmp/to_scwrl_1980123947.seq -o /var/tmp/from_scwrl_1980123947.pdb > /var/tmp/scwrl_1980123947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1980123947.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2055535323.pdb -s /var/tmp/to_scwrl_2055535323.seq -o /var/tmp/from_scwrl_2055535323.pdb > /var/tmp/scwrl_2055535323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2055535323.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1300074805.pdb -s /var/tmp/to_scwrl_1300074805.seq -o /var/tmp/from_scwrl_1300074805.pdb > /var/tmp/scwrl_1300074805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300074805.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2005721531.pdb -s /var/tmp/to_scwrl_2005721531.seq -o /var/tmp/from_scwrl_2005721531.pdb > /var/tmp/scwrl_2005721531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005721531.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2102808377.pdb -s /var/tmp/to_scwrl_2102808377.seq -o /var/tmp/from_scwrl_2102808377.pdb > /var/tmp/scwrl_2102808377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102808377.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1450611488.pdb -s /var/tmp/to_scwrl_1450611488.seq -o /var/tmp/from_scwrl_1450611488.pdb > /var/tmp/scwrl_1450611488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1450611488.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_323268482.pdb -s /var/tmp/to_scwrl_323268482.seq -o /var/tmp/from_scwrl_323268482.pdb > /var/tmp/scwrl_323268482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_323268482.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_507106954.pdb -s /var/tmp/to_scwrl_507106954.seq -o /var/tmp/from_scwrl_507106954.pdb > /var/tmp/scwrl_507106954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_507106954.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 # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_981022844.pdb -s /var/tmp/to_scwrl_981022844.seq -o /var/tmp/from_scwrl_981022844.pdb > /var/tmp/scwrl_981022844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_981022844.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 78 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1574609529.pdb -s /var/tmp/to_scwrl_1574609529.seq -o /var/tmp/from_scwrl_1574609529.pdb > /var/tmp/scwrl_1574609529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574609529.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 78 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1564526600.pdb -s /var/tmp/to_scwrl_1564526600.seq -o /var/tmp/from_scwrl_1564526600.pdb > /var/tmp/scwrl_1564526600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1564526600.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 86 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1071794807.pdb -s /var/tmp/to_scwrl_1071794807.seq -o /var/tmp/from_scwrl_1071794807.pdb > /var/tmp/scwrl_1071794807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071794807.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: (T0288)G59.O and (T0288)R60.N only 0.000 apart, marking (T0288)R60.N as missing # WARNING: incomplete conformation T0288 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 84 ; scwrl3 -i /var/tmp/to_scwrl_1965046387.pdb -s /var/tmp/to_scwrl_1965046387.seq -o /var/tmp/from_scwrl_1965046387.pdb > /var/tmp/scwrl_1965046387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965046387.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0288 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_701132226.pdb -s /var/tmp/to_scwrl_701132226.seq -o /var/tmp/from_scwrl_701132226.pdb > /var/tmp/scwrl_701132226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701132226.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1823066624.pdb -s /var/tmp/to_scwrl_1823066624.seq -o /var/tmp/from_scwrl_1823066624.pdb > /var/tmp/scwrl_1823066624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1823066624.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 T0288 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1552413392.pdb -s /var/tmp/to_scwrl_1552413392.seq -o /var/tmp/from_scwrl_1552413392.pdb > /var/tmp/scwrl_1552413392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1552413392.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 T0288 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_346647836.pdb -s /var/tmp/to_scwrl_346647836.seq -o /var/tmp/from_scwrl_346647836.pdb > /var/tmp/scwrl_346647836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346647836.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 T0288 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_536878899.pdb -s /var/tmp/to_scwrl_536878899.seq -o /var/tmp/from_scwrl_536878899.pdb > /var/tmp/scwrl_536878899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_536878899.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1742176967.pdb -s /var/tmp/to_scwrl_1742176967.seq -o /var/tmp/from_scwrl_1742176967.pdb > /var/tmp/scwrl_1742176967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1742176967.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 84 ; scwrl3 -i /var/tmp/to_scwrl_133587393.pdb -s /var/tmp/to_scwrl_133587393.seq -o /var/tmp/from_scwrl_133587393.pdb > /var/tmp/scwrl_133587393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_133587393.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1041001912.pdb -s /var/tmp/to_scwrl_1041001912.seq -o /var/tmp/from_scwrl_1041001912.pdb > /var/tmp/scwrl_1041001912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1041001912.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 5 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_2014370251.pdb -s /var/tmp/to_scwrl_2014370251.seq -o /var/tmp/from_scwrl_2014370251.pdb > /var/tmp/scwrl_2014370251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2014370251.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_940547784.pdb -s /var/tmp/to_scwrl_940547784.seq -o /var/tmp/from_scwrl_940547784.pdb > /var/tmp/scwrl_940547784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_940547784.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1255764344.pdb -s /var/tmp/to_scwrl_1255764344.seq -o /var/tmp/from_scwrl_1255764344.pdb > /var/tmp/scwrl_1255764344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255764344.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1202786981.pdb -s /var/tmp/to_scwrl_1202786981.seq -o /var/tmp/from_scwrl_1202786981.pdb > /var/tmp/scwrl_1202786981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1202786981.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_949703459.pdb -s /var/tmp/to_scwrl_949703459.seq -o /var/tmp/from_scwrl_949703459.pdb > /var/tmp/scwrl_949703459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_949703459.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 T0288 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_1466409528.pdb -s /var/tmp/to_scwrl_1466409528.seq -o /var/tmp/from_scwrl_1466409528.pdb > /var/tmp/scwrl_1466409528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1466409528.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_867199130.pdb -s /var/tmp/to_scwrl_867199130.seq -o /var/tmp/from_scwrl_867199130.pdb > /var/tmp/scwrl_867199130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_867199130.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 T0288 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_20563634.pdb -s /var/tmp/to_scwrl_20563634.seq -o /var/tmp/from_scwrl_20563634.pdb > /var/tmp/scwrl_20563634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_20563634.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 84 ; scwrl3 -i /var/tmp/to_scwrl_428021952.pdb -s /var/tmp/to_scwrl_428021952.seq -o /var/tmp/from_scwrl_428021952.pdb > /var/tmp/scwrl_428021952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428021952.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 24.560 sec, elapsed time= 135.269 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 54.450 real_cost = -186.040 shub_TS1 costs 54.450 real_cost = -185.717 nFOLD_TS5-scwrl costs 57.046 real_cost = -101.274 nFOLD_TS5 costs 57.046 real_cost = -107.492 nFOLD_TS4-scwrl costs 64.345 real_cost = -41.410 nFOLD_TS4 costs 64.345 real_cost = -35.858 nFOLD_TS3-scwrl costs 54.183 real_cost = -200.978 nFOLD_TS3 costs 54.191 real_cost = -153.253 nFOLD_TS2-scwrl costs 58.933 real_cost = -202.029 nFOLD_TS2 costs 58.933 real_cost = -157.197 nFOLD_TS1-scwrl costs 51.860 real_cost = -181.623 nFOLD_TS1 costs 51.860 real_cost = -144.749 mGen-3D_TS1-scwrl costs 57.616 real_cost = -209.869 mGen-3D_TS1 costs 57.616 real_cost = -162.580 keasar-server_TS5-scwrl costs 71.833 real_cost = -138.757 keasar-server_TS5 costs 71.833 real_cost = -133.321 keasar-server_TS4-scwrl costs 74.762 real_cost = -25.084 keasar-server_TS4 costs 74.762 real_cost = -24.043 keasar-server_TS3-scwrl costs 63.785 real_cost = -118.463 keasar-server_TS3 costs 63.785 real_cost = -117.970 keasar-server_TS2-scwrl costs 52.861 real_cost = -138.666 keasar-server_TS2 costs 52.861 real_cost = -131.095 keasar-server_TS1-scwrl costs 58.000 real_cost = -119.817 keasar-server_TS1 costs 58.000 real_cost = -112.580 karypis.srv_TS5-scwrl costs 56.308 real_cost = -104.498 karypis.srv_TS5 costs 56.319 real_cost = -102.964 karypis.srv_TS4-scwrl costs 49.778 real_cost = -162.756 karypis.srv_TS4 costs 49.725 real_cost = -155.981 karypis.srv_TS3-scwrl costs 58.182 real_cost = -110.178 karypis.srv_TS3 costs 58.196 real_cost = -111.438 karypis.srv_TS2-scwrl costs 54.916 real_cost = -189.551 karypis.srv_TS2 costs 54.916 real_cost = -189.603 karypis.srv_TS1-scwrl costs 46.480 real_cost = -196.224 karypis.srv_TS1 costs 46.466 real_cost = -194.545 karypis.srv.4_TS1-scwrl costs 135.114 real_cost = 294.747 karypis.srv.4_TS1 costs 135.114 real_cost = 294.110 karypis.srv.2_TS5-scwrl costs 48.351 real_cost = -163.867 karypis.srv.2_TS5 costs 48.351 real_cost = -163.867 karypis.srv.2_TS4-scwrl costs 46.007 real_cost = -193.337 karypis.srv.2_TS4 costs 46.007 real_cost = -193.337 karypis.srv.2_TS3-scwrl costs 46.007 real_cost = -193.337 karypis.srv.2_TS3 costs 46.007 real_cost = -193.337 karypis.srv.2_TS2-scwrl costs 55.087 real_cost = -197.795 karypis.srv.2_TS2 costs 55.087 real_cost = -197.795 karypis.srv.2_TS1-scwrl costs 51.249 real_cost = -187.661 karypis.srv.2_TS1 costs 51.249 real_cost = -187.661 gtg_AL5-scwrl costs 108.080 real_cost = 153.508 gtg_AL5 costs 108.632 real_cost = 185.974 gtg_AL4-scwrl costs 85.192 real_cost = -73.735 gtg_AL4 costs 85.682 real_cost = -31.665 gtg_AL3-scwrl costs 122.633 real_cost = 161.552 gtg_AL3 costs 122.953 real_cost = 200.340 gtg_AL2-scwrl costs 84.904 real_cost = -18.409 gtg_AL2 costs 85.084 real_cost = 32.774 gtg_AL1-scwrl costs 100.142 real_cost = 157.407 gtg_AL1 costs 100.901 real_cost = 201.987 forecast-s_AL5-scwrl costs 54.779 real_cost = -123.219 forecast-s_AL5 costs 54.779 real_cost = -67.449 forecast-s_AL4-scwrl costs 68.536 real_cost = -158.002 forecast-s_AL4 costs 68.536 real_cost = -111.391 forecast-s_AL3-scwrl costs 49.468 real_cost = -182.379 forecast-s_AL3 costs 49.454 real_cost = -131.797 forecast-s_AL2-scwrl costs 53.566 real_cost = -190.670 forecast-s_AL2 costs 53.566 real_cost = -142.344 forecast-s_AL1-scwrl costs 78.119 real_cost = -91.025 forecast-s_AL1 costs 78.133 real_cost = -64.867 beautshotbase_TS1-scwrl costs 47.181 real_cost = -181.982 beautshotbase_TS1 costs 47.167 real_cost = -174.982 beautshot_TS1-scwrl costs 47.939 real_cost = -156.908 beautshot_TS1 costs 47.939 real_cost = -149.398 Zhang-Server_TS5-scwrl costs 49.284 real_cost = -205.075 Zhang-Server_TS5 costs 49.284 real_cost = -203.933 Zhang-Server_TS4-scwrl costs 39.607 real_cost = -190.987 Zhang-Server_TS4 costs 39.607 real_cost = -191.138 Zhang-Server_TS3-scwrl costs 45.577 real_cost = -197.862 Zhang-Server_TS3 costs 45.577 real_cost = -202.516 Zhang-Server_TS2-scwrl costs 45.705 real_cost = -208.864 Zhang-Server_TS2 costs 45.705 real_cost = -201.914 Zhang-Server_TS1-scwrl costs 51.964 real_cost = -189.865 Zhang-Server_TS1 costs 51.964 real_cost = -186.204 UNI-EID_sfst_AL5-scwrl costs 73.750 real_cost = -72.979 UNI-EID_sfst_AL5 costs 73.878 real_cost = -39.966 UNI-EID_sfst_AL4-scwrl costs 67.094 real_cost = -163.910 UNI-EID_sfst_AL4 costs 67.421 real_cost = -123.557 UNI-EID_sfst_AL3-scwrl costs 53.412 real_cost = -227.621 UNI-EID_sfst_AL3 costs 53.740 real_cost = -177.864 UNI-EID_sfst_AL2-scwrl costs 67.086 real_cost = -138.875 UNI-EID_sfst_AL2 costs 67.227 real_cost = -98.073 UNI-EID_sfst_AL1-scwrl costs 64.981 real_cost = -186.105 UNI-EID_sfst_AL1 costs 65.226 real_cost = -154.320 UNI-EID_expm_TS1-scwrl costs 96.823 real_cost = -109.316 UNI-EID_expm_TS1 costs 96.823 real_cost = -117.043 UNI-EID_bnmx_TS5-scwrl costs 75.931 real_cost = -65.458 UNI-EID_bnmx_TS5 costs 76.033 real_cost = -29.385 UNI-EID_bnmx_TS4-scwrl costs 68.616 real_cost = -167.210 UNI-EID_bnmx_TS4 costs 68.827 real_cost = -108.168 UNI-EID_bnmx_TS3-scwrl costs 51.826 real_cost = -207.847 UNI-EID_bnmx_TS3 costs 52.108 real_cost = -149.014 UNI-EID_bnmx_TS2-scwrl costs 66.565 real_cost = -141.450 UNI-EID_bnmx_TS2 costs 66.647 real_cost = -97.872 UNI-EID_bnmx_TS1-scwrl costs 65.151 real_cost = -196.898 UNI-EID_bnmx_TS1 costs 65.366 real_cost = -160.636 SPARKS2_TS5-scwrl costs 47.048 real_cost = -154.493 SPARKS2_TS5 costs 47.048 real_cost = -142.566 SPARKS2_TS4-scwrl costs 57.388 real_cost = -83.185 SPARKS2_TS4 costs 57.388 real_cost = -75.417 SPARKS2_TS3-scwrl costs 56.209 real_cost = -184.005 SPARKS2_TS3 costs 56.209 real_cost = -170.371 SPARKS2_TS2-scwrl costs 48.084 real_cost = -191.256 SPARKS2_TS2 costs 48.084 real_cost = -179.524 SPARKS2_TS1-scwrl costs 46.134 real_cost = -199.219 SPARKS2_TS1 costs 46.134 real_cost = -193.658 SP4_TS5-scwrl costs 46.939 real_cost = -145.624 SP4_TS5 costs 46.939 real_cost = -131.365 SP4_TS4-scwrl costs 60.858 real_cost = -149.174 SP4_TS4 costs 60.858 real_cost = -141.140 SP4_TS3-scwrl costs 48.032 real_cost = -163.483 SP4_TS3 costs 48.032 real_cost = -161.365 SP4_TS2-scwrl costs 45.928 real_cost = -185.578 SP4_TS2 costs 45.928 real_cost = -175.667 SP4_TS1-scwrl costs 48.084 real_cost = -191.256 SP4_TS1 costs 48.084 real_cost = -179.524 SP3_TS5-scwrl costs 48.411 real_cost = -184.201 SP3_TS5 costs 48.411 real_cost = -179.561 SP3_TS4-scwrl costs 48.860 real_cost = -110.356 SP3_TS4 costs 48.860 real_cost = -112.164 SP3_TS3-scwrl costs 56.209 real_cost = -184.005 SP3_TS3 costs 56.209 real_cost = -170.371 SP3_TS2-scwrl costs 48.084 real_cost = -191.256 SP3_TS2 costs 48.084 real_cost = -179.524 SP3_TS1-scwrl costs 54.254 real_cost = -195.040 SP3_TS1 costs 54.254 real_cost = -175.569 SAM_T06_server_TS5-scwrl costs 53.215 real_cost = -139.973 SAM_T06_server_TS5 costs 53.163 real_cost = -150.468 SAM_T06_server_TS4-scwrl costs 63.739 real_cost = -67.695 SAM_T06_server_TS4 costs 63.751 real_cost = -87.913 SAM_T06_server_TS3-scwrl costs 65.074 real_cost = -71.043 SAM_T06_server_TS3 costs 65.031 real_cost = -88.510 SAM_T06_server_TS2-scwrl costs 65.695 real_cost = -139.865 SAM_T06_server_TS2 costs 65.514 real_cost = -155.970 SAM_T06_server_TS1-scwrl costs 55.376 real_cost = -157.538 SAM_T06_server_TS1 costs 55.376 real_cost = -155.127 SAM-T99_AL5-scwrl costs 90.221 real_cost = 18.780 SAM-T99_AL5 costs 90.265 real_cost = 64.674 SAM-T99_AL4-scwrl costs 62.792 real_cost = -104.275 SAM-T99_AL4 costs 62.758 real_cost = -70.692 SAM-T99_AL3-scwrl costs 65.044 real_cost = -111.464 SAM-T99_AL3 costs 65.010 real_cost = -75.780 SAM-T99_AL2-scwrl costs 62.403 real_cost = -94.332 SAM-T99_AL2 costs 62.362 real_cost = -59.314 SAM-T99_AL1-scwrl costs 86.033 real_cost = -5.036 SAM-T99_AL1 costs 86.043 real_cost = 27.141 SAM-T02_AL5-scwrl costs 53.775 real_cost = -94.663 SAM-T02_AL5 costs 53.775 real_cost = -41.705 SAM-T02_AL4-scwrl costs 52.530 real_cost = -103.993 SAM-T02_AL4 costs 52.993 real_cost = -52.813 SAM-T02_AL3-scwrl costs 61.629 real_cost = -117.378 SAM-T02_AL3 costs 61.734 real_cost = -63.963 SAM-T02_AL2-scwrl costs 61.666 real_cost = -108.269 SAM-T02_AL2 costs 61.668 real_cost = -84.805 SAM-T02_AL1-scwrl costs 50.956 real_cost = -179.234 SAM-T02_AL1 costs 50.878 real_cost = -137.679 ROKKY_TS5-scwrl costs 49.163 real_cost = -190.269 ROKKY_TS5 costs 49.163 real_cost = -188.106 ROKKY_TS4-scwrl costs 55.594 real_cost = -174.879 ROKKY_TS4 costs 55.594 real_cost = -165.545 ROKKY_TS3-scwrl costs 52.790 real_cost = -192.857 ROKKY_TS3 costs 52.790 real_cost = -174.965 ROKKY_TS2-scwrl costs 51.834 real_cost = -185.930 ROKKY_TS2 costs 51.834 real_cost = -172.781 ROKKY_TS1-scwrl costs 65.381 real_cost = -122.541 ROKKY_TS1 costs 65.381 real_cost = -111.870 ROBETTA_TS5-scwrl costs 51.159 real_cost = -184.598 ROBETTA_TS5 costs 51.159 real_cost = -183.431 ROBETTA_TS4-scwrl costs 40.485 real_cost = -194.431 ROBETTA_TS4 costs 40.485 real_cost = -194.685 ROBETTA_TS3-scwrl costs 48.299 real_cost = -192.167 ROBETTA_TS3 costs 48.299 real_cost = -191.960 ROBETTA_TS2-scwrl costs 52.617 real_cost = -138.115 ROBETTA_TS2 costs 52.617 real_cost = -146.763 ROBETTA_TS1-scwrl costs 46.576 real_cost = -200.963 ROBETTA_TS1 costs 46.576 real_cost = -202.056 RAPTOR_TS5-scwrl costs 50.279 real_cost = -166.749 RAPTOR_TS5 costs 50.279 real_cost = -168.414 RAPTOR_TS4-scwrl costs 61.703 real_cost = -171.086 RAPTOR_TS4 costs 61.703 real_cost = -155.334 RAPTOR_TS3-scwrl costs 67.613 real_cost = -174.569 RAPTOR_TS3 costs 67.613 real_cost = -170.827 RAPTOR_TS2-scwrl costs 58.094 real_cost = -172.507 RAPTOR_TS2 costs 58.094 real_cost = -162.935 RAPTOR_TS1-scwrl costs 58.094 real_cost = -172.507 RAPTOR_TS1 costs 58.094 real_cost = -162.935 RAPTORESS_TS5-scwrl costs 63.159 real_cost = -109.356 RAPTORESS_TS5 costs 63.159 real_cost = -95.196 RAPTORESS_TS4-scwrl costs 54.806 real_cost = -182.688 RAPTORESS_TS4 costs 54.806 real_cost = -163.939 RAPTORESS_TS3-scwrl costs 58.999 real_cost = -161.331 RAPTORESS_TS3 costs 58.999 real_cost = -152.451 RAPTORESS_TS2-scwrl costs 67.778 real_cost = -152.041 RAPTORESS_TS2 costs 67.778 real_cost = -154.124 RAPTORESS_TS1-scwrl costs 59.590 real_cost = -155.068 RAPTORESS_TS1 costs 59.590 real_cost = -139.184 RAPTOR-ACE_TS5-scwrl costs 48.954 real_cost = -169.636 RAPTOR-ACE_TS5 costs 48.954 real_cost = -170.400 RAPTOR-ACE_TS4-scwrl costs 52.514 real_cost = -194.629 RAPTOR-ACE_TS4 costs 52.514 real_cost = -187.275 RAPTOR-ACE_TS3-scwrl costs 52.450 real_cost = -199.548 RAPTOR-ACE_TS3 costs 52.450 real_cost = -189.177 RAPTOR-ACE_TS2-scwrl costs 53.989 real_cost = -180.229 RAPTOR-ACE_TS2 costs 53.989 real_cost = -185.830 RAPTOR-ACE_TS1-scwrl costs 45.407 real_cost = -204.410 RAPTOR-ACE_TS1 costs 45.407 real_cost = -193.853 Pmodeller6_TS5-scwrl costs 56.251 real_cost = -171.537 Pmodeller6_TS5 costs 56.227 real_cost = -177.258 Pmodeller6_TS4-scwrl costs 40.485 real_cost = -194.431 Pmodeller6_TS4 costs 40.485 real_cost = -194.685 Pmodeller6_TS3-scwrl costs 60.652 real_cost = -133.225 Pmodeller6_TS3 costs 60.613 real_cost = -138.706 Pmodeller6_TS2-scwrl costs 46.576 real_cost = -200.963 Pmodeller6_TS2 costs 46.576 real_cost = -202.056 Pmodeller6_TS1-scwrl costs 63.403 real_cost = -123.228 Pmodeller6_TS1 costs 63.410 real_cost = -126.093 Phyre-2_TS5-scwrl costs 49.468 real_cost = -182.379 Phyre-2_TS5 costs 49.454 real_cost = -180.178 Phyre-2_TS4-scwrl costs 49.468 real_cost = -182.379 Phyre-2_TS4 costs 49.454 real_cost = -180.178 Phyre-2_TS3-scwrl costs 49.468 real_cost = -182.379 Phyre-2_TS3 costs 49.454 real_cost = -180.178 Phyre-2_TS2-scwrl costs 49.468 real_cost = -182.379 Phyre-2_TS2 costs 49.454 real_cost = -180.178 Phyre-2_TS1-scwrl costs 49.468 real_cost = -182.379 Phyre-2_TS1 costs 49.454 real_cost = -180.178 Phyre-1_TS1-scwrl costs 70.477 real_cost = -98.316 Phyre-1_TS1 costs 70.726 real_cost = -113.325 Pcons6_TS5-scwrl costs 49.152 real_cost = -192.676 Pcons6_TS5 costs 49.204 real_cost = -192.862 Pcons6_TS4-scwrl costs 53.112 real_cost = -193.469 Pcons6_TS4 costs 53.098 real_cost = -189.261 Pcons6_TS3-scwrl costs 51.892 real_cost = -207.599 Pcons6_TS3 costs 51.893 real_cost = -209.219 Pcons6_TS2-scwrl costs 51.996 real_cost = -187.144 Pcons6_TS2 costs 52.048 real_cost = -187.396 Pcons6_TS1-scwrl costs 49.152 real_cost = -192.676 Pcons6_TS1 costs 49.204 real_cost = -192.862 PROTINFO_TS5-scwrl costs 50.431 real_cost = -176.711 PROTINFO_TS5 costs 50.431 real_cost = -176.231 PROTINFO_TS4-scwrl costs 57.637 real_cost = -165.650 PROTINFO_TS4 costs 57.637 real_cost = -159.165 PROTINFO_TS3-scwrl costs 59.190 real_cost = -207.189 PROTINFO_TS3 costs 59.190 real_cost = -210.148 PROTINFO_TS2-scwrl costs 52.291 real_cost = -209.669 PROTINFO_TS2 costs 52.291 real_cost = -206.161 PROTINFO_TS1-scwrl costs 49.752 real_cost = -213.236 PROTINFO_TS1 costs 49.752 real_cost = -205.287 PROTINFO-AB_TS5-scwrl costs 62.210 real_cost = -187.433 PROTINFO-AB_TS5 costs 62.210 real_cost = -189.487 PROTINFO-AB_TS4-scwrl costs 50.641 real_cost = -197.777 PROTINFO-AB_TS4 costs 50.641 real_cost = -191.627 PROTINFO-AB_TS3-scwrl costs 58.134 real_cost = -209.525 PROTINFO-AB_TS3 costs 58.134 real_cost = -204.897 PROTINFO-AB_TS2-scwrl costs 60.500 real_cost = -197.814 PROTINFO-AB_TS2 costs 60.500 real_cost = -196.340 PROTINFO-AB_TS1-scwrl costs 48.534 real_cost = -213.414 PROTINFO-AB_TS1 costs 48.534 real_cost = -205.206 MetaTasser_TS3-scwrl costs 76.076 real_cost = -155.958 MetaTasser_TS3 costs 76.076 real_cost = -140.564 MetaTasser_TS2-scwrl costs 72.790 real_cost = -148.105 MetaTasser_TS2 costs 72.790 real_cost = -135.834 MetaTasser_TS1-scwrl costs 75.286 real_cost = -163.779 MetaTasser_TS1 costs 75.286 real_cost = -157.323 Ma-OPUS-server_TS5-scwrl costs 49.957 real_cost = -180.107 Ma-OPUS-server_TS5 costs 49.957 real_cost = -173.680 Ma-OPUS-server_TS4-scwrl costs 61.613 real_cost = -156.417 Ma-OPUS-server_TS4 costs 61.613 real_cost = -164.933 Ma-OPUS-server_TS3-scwrl costs 56.330 real_cost = -170.560 Ma-OPUS-server_TS3 costs 56.330 real_cost = -171.480 Ma-OPUS-server_TS2-scwrl costs 58.780 real_cost = -106.971 Ma-OPUS-server_TS2 costs 58.780 real_cost = -102.176 Ma-OPUS-server_TS1-scwrl costs 47.283 real_cost = -175.933 Ma-OPUS-server_TS1 costs 47.283 real_cost = -168.994 MIG_FROST_FLEX_AL1-scwrl costs 54.277 real_cost = -195.438 MIG_FROST_FLEX_AL1 costs 54.322 real_cost = -136.561 MIG_FROST_AL1-scwrl costs 54.277 real_cost = -195.438 MIG_FROST_AL1 costs 54.322 real_cost = -136.561 LOOPP_TS5-scwrl costs 61.723 real_cost = -94.647 LOOPP_TS5 costs 61.723 real_cost = -85.771 LOOPP_TS4-scwrl costs 56.593 real_cost = -90.475 LOOPP_TS4 costs 56.707 real_cost = -84.682 LOOPP_TS3-scwrl costs 46.570 real_cost = -176.652 LOOPP_TS3 costs 46.588 real_cost = -156.674 LOOPP_TS2-scwrl costs 68.526 real_cost = -113.119 LOOPP_TS2 costs 68.526 real_cost = -116.580 LOOPP_TS1-scwrl costs 55.863 real_cost = -119.697 LOOPP_TS1 costs 55.881 real_cost = -122.974 Huber-Torda-Server_TS5-scwrl costs 63.913 real_cost = -142.526 Huber-Torda-Server_TS5 costs 63.717 real_cost = -131.064 Huber-Torda-Server_TS4-scwrl costs 64.745 real_cost = -36.232 Huber-Torda-Server_TS4 costs 64.745 real_cost = 7.169 Huber-Torda-Server_TS3-scwrl costs 73.141 real_cost = -85.825 Huber-Torda-Server_TS3 costs 73.040 real_cost = -42.176 Huber-Torda-Server_TS2-scwrl costs 70.620 real_cost = -74.183 Huber-Torda-Server_TS2 costs 70.955 real_cost = -55.840 Huber-Torda-Server_TS1-scwrl costs 52.772 real_cost = -160.817 Huber-Torda-Server_TS1 costs 52.772 real_cost = -107.786 HHpred3_TS1-scwrl costs 64.307 real_cost = -98.439 HHpred3_TS1 costs 64.307 real_cost = -83.024 HHpred2_TS1-scwrl costs 64.307 real_cost = -98.439 HHpred2_TS1 costs 64.307 real_cost = -83.024 HHpred1_TS1-scwrl costs 47.756 real_cost = -183.570 HHpred1_TS1 costs 47.756 real_cost = -181.287 GeneSilicoMetaServer_TS4-scwrl costs 49.751 real_cost = -197.665 GeneSilicoMetaServer_TS4 costs 49.751 real_cost = -197.559 GeneSilicoMetaServer_TS3-scwrl costs 53.166 real_cost = -172.499 GeneSilicoMetaServer_TS3 costs 53.166 real_cost = -169.664 GeneSilicoMetaServer_TS2-scwrl costs 46.432 real_cost = -180.436 GeneSilicoMetaServer_TS2 costs 46.432 real_cost = -168.621 GeneSilicoMetaServer_TS1-scwrl costs 49.470 real_cost = -194.950 GeneSilicoMetaServer_TS1 costs 49.477 real_cost = -183.644 Frankenstein_TS4-scwrl costs 48.792 real_cost = -242.970 Frankenstein_TS4 costs 48.792 real_cost = -230.428 Frankenstein_TS3-scwrl costs 48.792 real_cost = -242.970 Frankenstein_TS3 costs 48.792 real_cost = -230.428 Frankenstein_TS2-scwrl costs 59.148 real_cost = -201.381 Frankenstein_TS2 costs 59.148 real_cost = -193.670 Frankenstein_TS1-scwrl costs 48.792 real_cost = -242.970 Frankenstein_TS1 costs 48.792 real_cost = -230.428 FUNCTION_TS5-scwrl costs 69.767 real_cost = -97.804 FUNCTION_TS5 costs 69.767 real_cost = -100.145 FUNCTION_TS4-scwrl costs 68.554 real_cost = -156.865 FUNCTION_TS4 costs 68.554 real_cost = -140.567 FUNCTION_TS3-scwrl costs 66.737 real_cost = -134.444 FUNCTION_TS3 costs 66.737 real_cost = -108.874 FUNCTION_TS2-scwrl costs 56.901 real_cost = -69.410 FUNCTION_TS2 costs 56.901 real_cost = -62.903 FUNCTION_TS1-scwrl costs 67.352 real_cost = -148.159 FUNCTION_TS1 costs 67.352 real_cost = -136.545 FUGUE_AL5-scwrl costs 58.462 real_cost = -118.209 FUGUE_AL5 costs 58.608 real_cost = -88.976 FUGUE_AL4-scwrl costs 58.050 real_cost = -141.204 FUGUE_AL4 costs 58.168 real_cost = -94.479 FUGUE_AL3-scwrl costs 89.039 real_cost = -56.230 FUGUE_AL3 costs 89.330 real_cost = -16.276 FUGUE_AL2-scwrl costs 67.574 real_cost = -188.809 FUGUE_AL2 costs 67.792 real_cost = -136.716 FUGUE_AL1-scwrl costs 51.937 real_cost = -197.085 FUGUE_AL1 costs 51.931 real_cost = -133.813 FUGMOD_TS5-scwrl costs 49.002 real_cost = -163.200 FUGMOD_TS5 costs 49.105 real_cost = -156.711 FUGMOD_TS4-scwrl costs 52.188 real_cost = -171.076 FUGMOD_TS4 costs 52.218 real_cost = -172.753 FUGMOD_TS3-scwrl costs 50.736 real_cost = -182.476 FUGMOD_TS3 costs 50.736 real_cost = -181.265 FUGMOD_TS2-scwrl costs 48.415 real_cost = -199.722 FUGMOD_TS2 costs 48.356 real_cost = -186.085 FUGMOD_TS1-scwrl costs 51.349 real_cost = -200.404 FUGMOD_TS1 costs 51.350 real_cost = -192.515 FPSOLVER-SERVER_TS1-scwrl costs 138.709 real_cost = 311.491 FPSOLVER-SERVER_TS1 costs 138.709 real_cost = 311.557 FORTE2_AL5-scwrl costs 77.831 real_cost = -91.625 FORTE2_AL5 costs 77.846 real_cost = -64.378 FORTE2_AL4-scwrl costs 64.397 real_cost = -78.533 FORTE2_AL4 costs 64.397 real_cost = -79.964 FORTE2_AL3-scwrl costs 56.760 real_cost = -86.276 FORTE2_AL3 costs 56.760 real_cost = -92.516 FORTE2_AL2-scwrl costs 63.008 real_cost = -155.051 FORTE2_AL2 costs 63.008 real_cost = -103.118 FORTE2_AL1-scwrl costs 49.468 real_cost = -182.379 FORTE2_AL1 costs 49.454 real_cost = -131.797 FORTE1_AL5-scwrl costs 56.760 real_cost = -86.276 FORTE1_AL5 costs 56.760 real_cost = -92.516 FORTE1_AL4-scwrl costs 49.468 real_cost = -182.379 FORTE1_AL4 costs 49.454 real_cost = -131.797 FORTE1_AL3-scwrl costs 64.397 real_cost = -78.533 FORTE1_AL3 costs 64.397 real_cost = -79.964 FORTE1_AL2-scwrl costs 77.831 real_cost = -91.625 FORTE1_AL2 costs 77.846 real_cost = -64.378 FORTE1_AL1-scwrl costs 73.899 real_cost = -52.645 FORTE1_AL1 costs 73.899 real_cost = 25.860 FOLDpro_TS5-scwrl costs 96.130 real_cost = 86.777 FOLDpro_TS5 costs 96.130 real_cost = 87.326 FOLDpro_TS4-scwrl costs 113.366 real_cost = 253.095 FOLDpro_TS4 costs 113.366 real_cost = 255.343 FOLDpro_TS3-scwrl costs 91.022 real_cost = 221.007 FOLDpro_TS3 costs 91.022 real_cost = 219.256 FOLDpro_TS2-scwrl costs 100.913 real_cost = 156.433 FOLDpro_TS2 costs 100.913 real_cost = 175.532 FOLDpro_TS1-scwrl costs 46.995 real_cost = -181.329 FOLDpro_TS1 costs 46.995 real_cost = -181.348 FAMS_TS5-scwrl costs 69.767 real_cost = -97.804 FAMS_TS5 costs 69.767 real_cost = -100.145 FAMS_TS4-scwrl costs 68.554 real_cost = -156.865 FAMS_TS4 costs 68.554 real_cost = -140.567 FAMS_TS3-scwrl costs 66.737 real_cost = -134.444 FAMS_TS3 costs 66.737 real_cost = -108.874 FAMS_TS2-scwrl costs 56.901 real_cost = -69.410 FAMS_TS2 costs 56.901 real_cost = -62.903 FAMS_TS1-scwrl costs 67.352 real_cost = -148.159 FAMS_TS1 costs 67.352 real_cost = -136.545 FAMSD_TS5-scwrl costs 54.497 real_cost = -175.573 FAMSD_TS5 costs 54.483 real_cost = -160.475 FAMSD_TS4-scwrl costs 66.135 real_cost = -177.025 FAMSD_TS4 costs 66.120 real_cost = -177.153 FAMSD_TS3-scwrl costs 51.058 real_cost = -193.833 FAMSD_TS3 costs 51.063 real_cost = -166.806 FAMSD_TS2-scwrl costs 57.403 real_cost = -189.900 FAMSD_TS2 costs 57.403 real_cost = -171.482 FAMSD_TS1-scwrl costs 60.611 real_cost = -174.993 FAMSD_TS1 costs 60.611 real_cost = -159.967 Distill_TS5-scwrl costs 230.438 real_cost = 116.489 Distill_TS4-scwrl costs 227.986 real_cost = 119.938 Distill_TS3-scwrl costs 230.845 real_cost = 115.661 Distill_TS2-scwrl costs 231.036 real_cost = 117.944 Distill_TS1-scwrl costs 232.128 real_cost = 114.600 CaspIta-FOX_TS5-scwrl costs 79.743 real_cost = 30.354 CaspIta-FOX_TS5 costs 79.743 real_cost = 35.747 CaspIta-FOX_TS4-scwrl costs 54.765 real_cost = -210.173 CaspIta-FOX_TS4 costs 54.765 real_cost = -210.273 CaspIta-FOX_TS3-scwrl costs 60.346 real_cost = -195.713 CaspIta-FOX_TS3 costs 60.330 real_cost = -195.913 CaspIta-FOX_TS2-scwrl costs 42.166 real_cost = -209.125 CaspIta-FOX_TS2 costs 42.166 real_cost = -211.607 CaspIta-FOX_TS1-scwrl costs 77.419 real_cost = -43.112 CaspIta-FOX_TS1 costs 77.419 real_cost = -37.770 CIRCLE_TS5-scwrl costs 55.622 real_cost = -175.523 CIRCLE_TS5 costs 55.608 real_cost = -151.211 CIRCLE_TS4-scwrl costs 57.467 real_cost = -177.655 CIRCLE_TS4 costs 57.467 real_cost = -164.952 CIRCLE_TS3-scwrl costs 69.627 real_cost = -104.060 CIRCLE_TS3 costs 69.627 real_cost = -101.995 CIRCLE_TS2-scwrl costs 66.487 real_cost = -174.039 CIRCLE_TS2 costs 66.472 real_cost = -161.754 CIRCLE_TS1-scwrl costs 60.663 real_cost = -160.863 CIRCLE_TS1 costs 60.663 real_cost = -163.760 Bilab-ENABLE_TS5-scwrl costs 57.621 real_cost = -196.256 Bilab-ENABLE_TS5 costs 57.621 real_cost = -196.256 Bilab-ENABLE_TS4-scwrl costs 45.933 real_cost = -162.018 Bilab-ENABLE_TS4 costs 45.933 real_cost = -162.018 Bilab-ENABLE_TS3-scwrl costs 44.454 real_cost = -175.802 Bilab-ENABLE_TS3 costs 44.454 real_cost = -175.802 Bilab-ENABLE_TS2-scwrl costs 58.550 real_cost = -148.831 Bilab-ENABLE_TS2 costs 58.550 real_cost = -148.831 Bilab-ENABLE_TS1-scwrl costs 64.236 real_cost = -120.246 Bilab-ENABLE_TS1 costs 64.236 real_cost = -120.246 BayesHH_TS1-scwrl costs 65.409 real_cost = -101.012 BayesHH_TS1 costs 65.409 real_cost = -105.605 ABIpro_TS5-scwrl costs 94.958 real_cost = 208.721 ABIpro_TS5 costs 94.958 real_cost = 208.721 ABIpro_TS4-scwrl costs 97.515 real_cost = 259.008 ABIpro_TS4 costs 97.515 real_cost = 259.008 ABIpro_TS3-scwrl costs 94.465 real_cost = 221.611 ABIpro_TS3 costs 94.465 real_cost = 221.611 ABIpro_TS2-scwrl costs 101.577 real_cost = 240.986 ABIpro_TS2 costs 101.577 real_cost = 238.671 ABIpro_TS1-scwrl costs 104.662 real_cost = 271.025 ABIpro_TS1 costs 104.662 real_cost = 271.025 3Dpro_TS5-scwrl costs 82.845 real_cost = 151.357 3Dpro_TS5 costs 82.845 real_cost = 152.343 3Dpro_TS4-scwrl costs 97.874 real_cost = 243.032 3Dpro_TS4 costs 97.874 real_cost = 247.178 3Dpro_TS3-scwrl costs 73.651 real_cost = 99.653 3Dpro_TS3 costs 73.651 real_cost = 105.290 3Dpro_TS2-scwrl costs 46.766 real_cost = -195.016 3Dpro_TS2 costs 46.766 real_cost = -191.336 3Dpro_TS1-scwrl costs 53.305 real_cost = -197.105 3Dpro_TS1 costs 53.305 real_cost = -186.155 3D-JIGSAW_TS5-scwrl costs 61.559 real_cost = -68.878 3D-JIGSAW_TS5 costs 61.569 real_cost = -77.469 3D-JIGSAW_TS4-scwrl costs 65.726 real_cost = -76.489 3D-JIGSAW_TS4 costs 65.741 real_cost = -77.097 3D-JIGSAW_TS3-scwrl costs 70.255 real_cost = -135.413 3D-JIGSAW_TS3 costs 70.220 real_cost = -126.291 3D-JIGSAW_TS2-scwrl costs 67.503 real_cost = -181.390 3D-JIGSAW_TS2 costs 67.503 real_cost = -189.876 3D-JIGSAW_TS1-scwrl costs 68.899 real_cost = -158.984 3D-JIGSAW_TS1 costs 68.831 real_cost = -157.006 3D-JIGSAW_RECOM_TS5-scwrl costs 64.283 real_cost = -171.346 3D-JIGSAW_RECOM_TS5 costs 64.328 real_cost = -192.633 3D-JIGSAW_RECOM_TS4-scwrl costs 68.631 real_cost = -142.161 3D-JIGSAW_RECOM_TS4 costs 68.676 real_cost = -152.189 3D-JIGSAW_RECOM_TS3-scwrl costs 60.610 real_cost = -145.205 3D-JIGSAW_RECOM_TS3 costs 60.655 real_cost = -153.936 3D-JIGSAW_RECOM_TS2-scwrl costs 72.806 real_cost = -155.780 3D-JIGSAW_RECOM_TS2 costs 72.851 real_cost = -158.920 3D-JIGSAW_RECOM_TS1-scwrl costs 56.199 real_cost = -157.417 3D-JIGSAW_RECOM_TS1 costs 56.244 real_cost = -168.670 3D-JIGSAW_POPULUS_TS5-scwrl costs 63.483 real_cost = -18.725 3D-JIGSAW_POPULUS_TS5 costs 63.494 real_cost = -35.815 3D-JIGSAW_POPULUS_TS4-scwrl costs 56.027 real_cost = -156.476 3D-JIGSAW_POPULUS_TS4 costs 56.038 real_cost = -166.617 3D-JIGSAW_POPULUS_TS3-scwrl costs 55.155 real_cost = -77.938 3D-JIGSAW_POPULUS_TS3 costs 55.166 real_cost = -83.555 3D-JIGSAW_POPULUS_TS2-scwrl costs 55.382 real_cost = -161.185 3D-JIGSAW_POPULUS_TS2 costs 55.393 real_cost = -175.978 3D-JIGSAW_POPULUS_TS1-scwrl costs 53.800 real_cost = -146.006 3D-JIGSAW_POPULUS_TS1 costs 53.845 real_cost = -158.319 tr288.pdb.gz costs 55.478 real_cost = -231.834 robetta-model5.pdb.gz costs 51.159 real_cost = -183.431 robetta-model4.pdb.gz costs 40.485 real_cost = -194.685 robetta-model3.pdb.gz costs 48.299 real_cost = -191.960 robetta-model2.pdb.gz costs 52.617 real_cost = -146.763 robetta-model1.pdb.gz costs 46.576 real_cost = -202.056 refine-chimera1.pdb.gz costs 52.688 real_cost = -225.378 T0288.try9-opt2.repack-nonPC.pdb.gz costs 46.336 real_cost = -132.597 T0288.try9-opt2.pdb.gz costs 46.336 real_cost = -133.669 T0288.try9-opt2.gromacs0.pdb.gz costs 46.484 real_cost = -129.805 T0288.try9-opt1.pdb.gz costs 47.215 real_cost = -135.516 T0288.try9-opt1-scwrl.pdb.gz costs 47.215 real_cost = -137.057 T0288.try8-opt2.repack-nonPC.pdb.gz costs 47.488 real_cost = -135.089 T0288.try8-opt2.pdb.gz costs 47.488 real_cost = -136.566 T0288.try8-opt2.gromacs0.pdb.gz costs 47.241 real_cost = -133.761 T0288.try8-opt1.pdb.gz costs 47.042 real_cost = -133.565 T0288.try8-opt1-scwrl.pdb.gz costs 47.042 real_cost = -131.721 T0288.try7-opt2.repack-nonPC.pdb.gz costs 47.538 real_cost = -151.521 T0288.try7-opt2.pdb.gz costs 47.538 real_cost = -146.303 T0288.try7-opt2.gromacs0.pdb.gz costs 48.237 real_cost = -146.833 T0288.try7-opt1.pdb.gz costs 49.632 real_cost = -147.143 T0288.try7-opt1-scwrl.pdb.gz costs 49.632 real_cost = -146.985 T0288.try6-opt2.repack-nonPC.pdb.gz costs 58.094 real_cost = -168.958 T0288.try6-opt2.pdb.gz costs 58.094 real_cost = -174.445 T0288.try6-opt2.gromacs0.pdb.gz costs 47.861 real_cost = -178.244 T0288.try6-opt1.pdb.gz costs 56.394 real_cost = -174.523 T0288.try6-opt1-scwrl.pdb.gz costs 56.394 real_cost = -174.492 T0288.try5-opt2.repack-nonPC.pdb.gz costs 59.322 real_cost = -168.795 T0288.try5-opt2.pdb.gz costs 59.322 real_cost = -170.533 T0288.try5-opt2.gromacs0.pdb.gz costs 45.484 real_cost = -167.353 T0288.try5-opt1.pdb.gz costs 55.144 real_cost = -170.066 T0288.try5-opt1-scwrl.pdb.gz costs 55.144 real_cost = -168.599 T0288.try4-opt2.repack-nonPC.pdb.gz costs 54.194 real_cost = -158.430 T0288.try4-opt2.pdb.gz costs 54.194 real_cost = -154.100 T0288.try4-opt2.gromacs0.pdb.gz costs 45.174 real_cost = -152.411 T0288.try4-opt1.pdb.gz costs 54.786 real_cost = -151.539 T0288.try4-opt1-scwrl.pdb.gz costs 54.786 real_cost = -155.390 T0288.try3-opt2.repack-nonPC.pdb.gz costs 51.674 real_cost = -169.749 T0288.try3-opt2.pdb.gz costs 51.674 real_cost = -167.177 T0288.try3-opt2.gromacs0.pdb.gz costs 47.908 real_cost = -165.279 T0288.try3-opt1.pdb.gz costs 53.997 real_cost = -166.763 T0288.try3-opt1-scwrl.pdb.gz costs 53.997 real_cost = -170.590 T0288.try2-opt2.repack-nonPC.pdb.gz costs 68.856 real_cost = -163.579 T0288.try2-opt2.pdb.gz costs 68.856 real_cost = -166.388 T0288.try2-opt2.gromacs0.pdb.gz costs 52.074 real_cost = -171.174 T0288.try2-opt1.pdb.gz costs 57.919 real_cost = -165.442 T0288.try2-opt1-scwrl.pdb.gz costs 57.919 real_cost = -164.412 T0288.try1-opt2.repack-nonPC.pdb.gz costs 53.020 real_cost = -166.974 T0288.try1-opt2.pdb.gz costs 53.020 real_cost = -169.202 T0288.try1-opt2.gromacs0.pdb.gz costs 46.016 real_cost = -170.577 T0288.try1-opt1.pdb.gz costs 52.134 real_cost = -166.484 T0288.try1-opt1-scwrl.pdb.gz costs 52.134 real_cost = -166.635 ../refine.model5.ts-submitted costs 58.094 real_cost = -174.145 ../refine.model4.ts-submitted costs 47.538 real_cost = -151.511 ../refine.model3.ts-submitted costs 47.538 real_cost = -146.300 ../refine.model2.ts-submitted costs 46.336 real_cost = -132.591 ../refine.model1.ts-submitted costs 47.021 real_cost = -133.647 ../model5.ts-submitted costs 71.076 real_cost = -173.468 ../model4.ts-submitted costs 57.587 real_cost = -195.500 ../model3.ts-submitted costs 68.829 real_cost = -163.478 ../model2.ts-submitted costs 53.020 real_cost = -168.879 ../model1.ts-submitted costs 59.432 real_cost = -170.501 align5 costs 71.350 real_cost = -153.456 align4 costs 64.322 real_cost = -154.342 align3 costs 68.158 real_cost = -175.760 align2 costs 71.539 real_cost = -179.617 align1 costs 51.603 real_cost = -193.320 T0288.try1-opt2.pdb costs 53.020 real_cost = -169.202 model5-scwrl costs 71.225 real_cost = -140.681 model5.ts-submitted costs 71.076 real_cost = -173.468 model4-scwrl costs 57.587 real_cost = -197.220 model4.ts-submitted costs 57.587 real_cost = -195.500 model3-scwrl costs 68.829 real_cost = -165.810 model3.ts-submitted costs 68.829 real_cost = -163.478 model2-scwrl costs 53.020 real_cost = -165.148 model2.ts-submitted costs 53.020 real_cost = -168.879 model1-scwrl costs 59.346 real_cost = -167.307 model1.ts-submitted costs 59.432 real_cost = -170.501 2gzvA costs 37.096 real_cost = -886.600 # command:CPU_time= 220.294 sec, elapsed time= 331.372 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/T0288'