make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0383' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0383.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/T0383.} ;\ 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/T0383/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hngA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183550271 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 20.772 sec, elapsed time= 20.979 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 21.021 sec, elapsed time= 21.254 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0383 numbered 1 through 127 Created new target T0383 from T0383.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hngA expands to /projects/compbio/data/pdb/2hng.pdb.gz 2hngA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 7, because occupancy 0.5 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 9, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 11, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 13, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 15, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 17, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 19, because occupancy 0.350 <= existing 0.400 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 21, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 59, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 61, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 63, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 65, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 67, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 69, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 71, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 73, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 75, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 95, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 97, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 99, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 101, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 103, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 105, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 107, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 109, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 111, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 113, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 115, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 130, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 132, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 134, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 136, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 138, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 140, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 142, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 144, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 146, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 264, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 266, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 268, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 270, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 272, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 274, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 276, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 278, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 280, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 306, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 308, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 310, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 312, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 314, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 316, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 318, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 320, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 322, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 347, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 349, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 351, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 353, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 355, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 357, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 359, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 361, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 389, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 391, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 393, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 395, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 397, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 399, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 401, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 403, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 405, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 476, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 478, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 480, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 482, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 484, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 486, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 488, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 490, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 492, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 514, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 516, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 518, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 520, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 522, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 524, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 526, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 528, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 561, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 563, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 565, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 567, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 569, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 571, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 584, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 586, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 588, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 590, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 592, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 594, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 596, because occupancy 0.300 <= existing 0.350 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 598, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 669, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 671, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 673, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 675, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 677, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 679, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 700, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 702, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 704, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 706, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 708, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 710, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 792, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 794, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 796, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 798, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 800, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 802, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 804, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 806, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 808, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 810, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 812, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 814, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 816, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 818, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 820, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 822, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 824, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 839, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 841, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 843, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 845, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 847, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 849, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 851, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 853, because occupancy 0.400 <= existing 0.600 in 2hngA Skipped atom 855, because occupancy 0.400 <= existing 0.600 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 976, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 978, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 980, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 982, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 984, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 986, because occupancy 0.500 <= existing 0.500 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 988, because occupancy 0.300 <= existing 0.350 in 2hngA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 990, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 1008, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 1010, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 1012, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 1014, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 1016, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 1018, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 1020, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 1022, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 1024, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 1026, because occupancy 0.500 <= existing 0.500 in 2hngA Skipped atom 1028, because occupancy 0.500 <= existing 0.500 in 2hngA Read 125 residues and 1020 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0383 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= 35.092 sec, elapsed time= 35.583 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 122 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -30.645 # GDT_score(maxd=8.000,maxw=2.900)= -28.538 # GDT_score(maxd=8.000,maxw=3.200)= -27.121 # GDT_score(maxd=8.000,maxw=3.500)= -25.785 # GDT_score(maxd=10.000,maxw=3.800)= -30.142 # GDT_score(maxd=10.000,maxw=4.000)= -29.159 # GDT_score(maxd=10.000,maxw=4.200)= -28.260 # GDT_score(maxd=12.000,maxw=4.300)= -32.651 # GDT_score(maxd=12.000,maxw=4.500)= -31.651 # GDT_score(maxd=12.000,maxw=4.700)= -30.685 # GDT_score(maxd=14.000,maxw=5.200)= -32.281 # GDT_score(maxd=14.000,maxw=5.500)= -30.968 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0383.model1-real.pdb for output Error: Couldn't open file T0383.model1-real.pdb for output superimposing iter= 0 total_weight= 1510.000 rmsd (weighted)= 8.743 (unweighted)= 13.008 superimposing iter= 1 total_weight= 2396.060 rmsd (weighted)= 5.612 (unweighted)= 13.055 superimposing iter= 2 total_weight= 1182.208 rmsd (weighted)= 5.162 (unweighted)= 13.119 superimposing iter= 3 total_weight= 1126.032 rmsd (weighted)= 4.870 (unweighted)= 13.182 superimposing iter= 4 total_weight= 1120.433 rmsd (weighted)= 4.609 (unweighted)= 13.245 superimposing iter= 5 total_weight= 1114.764 rmsd (weighted)= 4.373 (unweighted)= 13.306 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N SER A 1 24.280 40.046 30.195 1.00 0.00 ATOM 2 CA SER A 1 25.191 40.061 29.032 1.00 0.00 ATOM 3 CB SER A 1 26.664 39.841 29.440 1.00 0.00 ATOM 4 OG SER A 1 26.851 38.484 29.794 1.00 0.00 ATOM 5 O SER A 1 23.987 38.149 28.298 1.00 0.00 ATOM 6 C SER A 1 24.706 39.081 27.957 1.00 0.00 ATOM 7 N ASN A 2 25.152 39.292 26.720 1.00 0.00 ATOM 8 CA ASN A 2 24.746 38.404 25.612 1.00 0.00 ATOM 9 CB ASN A 2 25.368 38.803 24.330 1.00 0.00 ATOM 10 CG ASN A 2 24.737 40.118 23.758 1.00 0.00 ATOM 11 ND2 ASN A 2 23.633 40.533 24.346 1.00 0.00 ATOM 12 OD1 ASN A 2 25.243 40.715 22.777 1.00 0.00 ATOM 13 O ASN A 2 24.400 36.054 25.579 1.00 0.00 ATOM 14 C ASN A 2 25.184 36.966 25.797 1.00 0.00 ATOM 15 N ALA A 3 26.402 36.806 26.283 1.00 0.00 ATOM 16 CA ALA A 3 26.966 35.472 26.563 1.00 0.00 ATOM 17 CB ALA A 3 28.397 35.558 27.073 1.00 0.00 ATOM 18 O ALA A 3 25.833 33.582 27.514 1.00 0.00 ATOM 19 C ALA A 3 26.171 34.753 27.656 1.00 0.00 ATOM 20 N MET A 4 25.806 35.478 28.714 1.00 0.00 ATOM 21 CA MET A 4 24.994 34.893 29.795 1.00 0.00 ATOM 22 CB MET A 4 24.422 36.290 30.568 1.00 0.00 ATOM 23 CG MET A 4 23.960 36.199 32.007 1.00 0.00 ATOM 24 SD MET A 4 23.032 37.634 32.567 1.00 0.00 ATOM 25 CE MET A 4 24.239 38.409 33.643 1.00 0.00 ATOM 26 O MET A 4 23.150 33.377 29.548 1.00 0.00 ATOM 27 C MET A 4 23.659 34.448 29.213 1.00 0.00 ATOM 28 N ASN A 5 23.084 35.278 28.305 1.00 0.00 ATOM 29 CA ASN A 5 21.806 34.959 27.683 1.00 0.00 ATOM 30 CB ASN A 5 21.230 36.086 26.875 1.00 0.00 ATOM 31 CG ASN A 5 20.719 37.222 27.770 1.00 0.00 ATOM 32 ND2 ASN A 5 20.795 38.441 27.269 1.00 0.00 ATOM 33 OD1 ASN A 5 20.285 36.988 28.897 1.00 0.00 ATOM 34 O ASN A 5 21.088 32.821 26.834 1.00 0.00 ATOM 35 C ASN A 5 21.921 33.724 26.795 1.00 0.00 ATOM 36 N LEU A 6 23.063 33.646 26.006 1.00 0.00 ATOM 37 CA LEU A 6 23.331 32.489 25.148 1.00 0.00 ATOM 38 CB LEU A 6 24.597 32.726 24.318 1.00 0.00 ATOM 39 CG LEU A 6 24.491 33.841 23.269 1.00 0.00 ATOM 40 CD1 LEU A 6 25.854 34.101 22.643 1.00 0.00 ATOM 41 CD2 LEU A 6 23.477 33.445 22.207 1.00 0.00 ATOM 42 O LEU A 6 22.828 30.195 25.590 1.00 0.00 ATOM 43 C LEU A 6 23.426 31.190 25.961 1.00 0.00 ATOM 44 N LYS A 7 24.128 31.229 27.087 1.00 0.00 ATOM 45 CA LYS A 7 24.248 30.056 27.938 1.00 0.00 ATOM 46 CB LYS A 7 25.157 30.391 29.121 1.00 0.00 ATOM 47 CG LYS A 7 26.629 30.541 28.763 1.00 0.00 ATOM 48 CD LYS A 7 27.465 30.876 29.988 1.00 0.00 ATOM 49 CE LYS A 7 28.934 31.051 29.626 1.00 0.00 ATOM 50 NZ LYS A 7 29.760 31.415 30.811 1.00 0.00 ATOM 51 O LYS A 7 22.541 28.438 28.455 1.00 0.00 ATOM 52 C LYS A 7 22.873 29.612 28.442 1.00 0.00 ATOM 53 N ARG A 8 22.089 30.569 28.908 1.00 0.00 ATOM 54 CA ARG A 8 20.756 30.278 29.453 1.00 0.00 ATOM 55 CB ARG A 8 20.349 31.265 30.537 1.00 0.00 ATOM 56 CG ARG A 8 21.181 31.198 31.807 1.00 0.00 ATOM 57 CD ARG A 8 20.789 32.183 32.848 1.00 0.00 ATOM 58 NE ARG A 8 21.616 32.157 34.044 1.00 0.00 ATOM 59 CZ ARG A 8 21.510 33.027 35.067 1.00 0.00 ATOM 60 NH1 ARG A 8 20.642 34.012 35.030 1.00 0.00 ATOM 61 NH2 ARG A 8 22.320 32.876 36.102 1.00 0.00 ATOM 62 O ARG A 8 18.480 29.901 28.801 1.00 0.00 ATOM 63 C ARG A 8 19.615 30.183 28.423 1.00 0.00 ATOM 64 N GLU A 9 19.947 30.376 27.153 1.00 0.00 ATOM 65 CA GLU A 9 18.968 30.359 26.065 1.00 0.00 ATOM 66 CB GLU A 9 18.987 31.687 25.306 1.00 0.00 ATOM 67 CG GLU A 9 18.555 32.891 26.131 1.00 0.00 ATOM 68 CD GLU A 9 18.545 34.146 25.304 1.00 0.00 ATOM 69 OE1 GLU A 9 18.888 34.076 24.149 1.00 0.00 ATOM 70 OE2 GLU A 9 18.086 35.151 25.793 1.00 0.00 ATOM 71 O GLU A 9 20.294 28.588 25.057 1.00 0.00 ATOM 72 C GLU A 9 19.224 29.201 25.099 1.00 0.00 ATOM 73 N GLN A 10 18.130 28.846 24.425 1.00 0.00 ATOM 74 CA GLN A 10 18.134 27.763 23.421 1.00 0.00 ATOM 75 CB GLN A 10 17.497 26.496 23.997 1.00 0.00 ATOM 76 CG GLN A 10 17.499 25.311 23.047 1.00 0.00 ATOM 77 CD GLN A 10 16.949 24.051 23.688 1.00 0.00 ATOM 78 OE1 GLN A 10 16.556 24.055 24.858 1.00 0.00 ATOM 79 NE2 GLN A 10 16.922 22.963 22.929 1.00 0.00 ATOM 80 O GLN A 10 16.313 28.738 22.244 1.00 0.00 ATOM 81 C GLN A 10 17.384 28.147 22.157 1.00 0.00 ATOM 82 N GLU A 11 18.046 27.922 20.994 1.00 0.00 ATOM 83 CA GLU A 11 17.438 28.238 19.703 1.00 0.00 ATOM 84 CB GLU A 11 18.384 29.206 18.988 1.00 0.00 ATOM 85 CG GLU A 11 18.523 30.562 19.662 1.00 0.00 ATOM 86 CD GLU A 11 19.407 31.480 18.864 1.00 0.00 ATOM 87 OE1 GLU A 11 19.858 31.080 17.817 1.00 0.00 ATOM 88 OE2 GLU A 11 19.542 32.621 19.243 1.00 0.00 ATOM 89 O GLU A 11 17.895 25.981 19.024 1.00 0.00 ATOM 90 C GLU A 11 17.102 26.922 19.008 1.00 0.00 ATOM 91 N PHE A 12 15.865 26.868 18.377 1.00 0.00 ATOM 92 CA PHE A 12 15.413 25.673 17.673 1.00 0.00 ATOM 93 CB PHE A 12 15.043 24.520 18.632 1.00 0.00 ATOM 94 CG PHE A 12 13.648 24.621 19.255 1.00 0.00 ATOM 95 CD1 PHE A 12 12.557 24.120 18.551 1.00 0.00 ATOM 96 CD2 PHE A 12 13.470 25.152 20.521 1.00 0.00 ATOM 97 CE1 PHE A 12 11.281 24.166 19.103 1.00 0.00 ATOM 98 CE2 PHE A 12 12.205 25.197 21.064 1.00 0.00 ATOM 99 CZ PHE A 12 11.104 24.717 20.357 1.00 0.00 ATOM 100 O PHE A 12 13.730 27.088 16.724 1.00 0.00 ATOM 101 C PHE A 12 14.278 25.986 16.715 1.00 0.00 ATOM 102 N VAL A 13 14.001 25.029 15.779 1.00 0.00 ATOM 103 CA VAL A 13 12.931 25.182 14.808 1.00 0.00 ATOM 104 CB VAL A 13 13.377 24.858 13.371 1.00 0.00 ATOM 105 CG1 VAL A 13 12.210 25.002 12.405 1.00 0.00 ATOM 106 CG2 VAL A 13 14.528 25.762 12.953 1.00 0.00 ATOM 107 O VAL A 13 11.935 23.052 15.267 1.00 0.00 ATOM 108 C VAL A 13 11.786 24.270 15.235 1.00 0.00 ATOM 109 N SER A 14 10.659 24.885 15.590 1.00 0.00 ATOM 110 CA SER A 14 9.508 24.105 16.030 1.00 0.00 ATOM 111 CB SER A 14 8.439 24.919 16.736 1.00 0.00 ATOM 112 OG SER A 14 7.957 25.963 15.883 1.00 0.00 ATOM 113 O SER A 14 8.463 22.282 14.931 1.00 0.00 ATOM 114 C SER A 14 8.864 23.427 14.827 1.00 0.00 ATOM 115 N GLN A 15 8.900 24.077 13.674 1.00 0.00 ATOM 116 CA GLN A 15 8.216 23.562 12.481 1.00 0.00 ATOM 117 CB GLN A 15 6.789 24.059 12.492 1.00 0.00 ATOM 118 CG GLN A 15 5.974 23.665 11.260 1.00 0.00 ATOM 119 CD GLN A 15 4.612 24.345 11.215 1.00 0.00 ATOM 120 OE1 GLN A 15 4.216 25.040 12.152 1.00 0.00 ATOM 121 NE2 GLN A 15 3.904 24.172 10.114 1.00 0.00 ATOM 122 O GLN A 15 9.248 25.280 11.155 1.00 0.00 ATOM 123 C GLN A 15 8.874 24.105 11.218 1.00 0.00 ATOM 124 N TYR A 16 8.935 23.225 10.240 1.00 0.00 ATOM 125 CA TYR A 16 9.497 23.576 8.936 1.00 0.00 ATOM 126 CB TYR A 16 10.947 23.097 8.896 1.00 0.00 ATOM 127 CG TYR A 16 11.554 23.433 7.538 1.00 0.00 ATOM 128 CD1 TYR A 16 11.890 24.735 7.218 1.00 0.00 ATOM 129 CD2 TYR A 16 11.716 22.431 6.612 1.00 0.00 ATOM 130 CE1 TYR A 16 12.410 25.035 5.974 1.00 0.00 ATOM 131 CE2 TYR A 16 12.195 22.724 5.363 1.00 0.00 ATOM 132 CZ TYR A 16 12.555 24.017 5.054 1.00 0.00 ATOM 133 OH TYR A 16 13.021 24.294 3.825 1.00 0.00 ATOM 134 O TYR A 16 8.471 21.701 7.821 1.00 0.00 ATOM 135 C TYR A 16 8.668 22.923 7.828 1.00 0.00 ATOM 136 N HIS A 17 8.253 23.738 6.872 1.00 0.00 ATOM 137 CA HIS A 17 7.452 23.243 5.730 1.00 0.00 ATOM 138 CB HIS A 17 5.957 23.456 5.993 1.00 0.00 ATOM 139 CG HIS A 17 5.078 22.970 4.882 1.00 0.00 ATOM 140 CD2 HIS A 17 4.415 23.642 3.912 1.00 0.00 ATOM 141 ND1 HIS A 17 4.800 21.634 4.683 1.00 0.00 ATOM 142 CE1 HIS A 17 4.003 21.505 3.637 1.00 0.00 ATOM 143 NE2 HIS A 17 3.754 22.708 3.152 1.00 0.00 ATOM 144 O HIS A 17 7.645 25.144 4.294 1.00 0.00 ATOM 145 C HIS A 17 7.816 23.919 4.405 1.00 0.00 ATOM 146 N PHE A 18 8.235 23.137 3.475 1.00 0.00 ATOM 147 CA PHE A 18 8.531 23.609 2.119 1.00 0.00 ATOM 148 CB PHE A 18 10.042 23.461 1.901 1.00 0.00 ATOM 149 CG PHE A 18 10.463 23.960 0.521 1.00 0.00 ATOM 150 CD1 PHE A 18 10.582 25.327 0.292 1.00 0.00 ATOM 151 CD2 PHE A 18 10.723 23.073 -0.508 1.00 0.00 ATOM 152 CE1 PHE A 18 10.975 25.801 -0.945 1.00 0.00 ATOM 153 CE2 PHE A 18 11.106 23.546 -1.759 1.00 0.00 ATOM 154 CZ PHE A 18 11.238 24.909 -1.983 1.00 0.00 ATOM 155 O PHE A 18 7.699 21.564 1.225 1.00 0.00 ATOM 156 C PHE A 18 7.755 22.784 1.101 1.00 0.00 ATOM 157 N ASP A 19 7.067 23.457 0.198 1.00 0.00 ATOM 158 CA ASP A 19 6.295 22.770 -0.850 1.00 0.00 ATOM 159 CB ASP A 19 4.804 22.777 -0.500 1.00 0.00 ATOM 160 CG ASP A 19 3.947 21.887 -1.393 1.00 0.00 ATOM 161 OD1 ASP A 19 3.930 22.108 -2.579 1.00 0.00 ATOM 162 OD2 ASP A 19 3.444 20.903 -0.905 1.00 0.00 ATOM 163 O ASP A 19 6.385 24.636 -2.364 1.00 0.00 ATOM 164 C ASP A 19 6.524 23.420 -2.213 1.00 0.00 ATOM 165 N ALA A 20 6.849 22.570 -3.178 1.00 0.00 ATOM 166 CA ALA A 20 6.911 22.932 -4.596 1.00 0.00 ATOM 167 CB ALA A 20 8.362 22.752 -5.001 1.00 0.00 ATOM 168 O ALA A 20 6.381 21.267 -6.294 1.00 0.00 ATOM 169 C ALA A 20 5.967 22.067 -5.460 1.00 0.00 ATOM 170 N ARG A 21 4.662 22.347 -5.342 1.00 0.00 ATOM 171 CA ARG A 21 3.637 21.609 -6.097 1.00 0.00 ATOM 172 CB ARG A 21 2.245 21.815 -5.519 1.00 0.00 ATOM 173 CG ARG A 21 1.652 23.195 -5.756 1.00 0.00 ATOM 174 CD ARG A 21 0.320 23.407 -5.134 1.00 0.00 ATOM 175 NE ARG A 21 -0.227 24.740 -5.316 1.00 0.00 ATOM 176 CZ ARG A 21 -1.407 25.158 -4.818 1.00 0.00 ATOM 177 NH1 ARG A 21 -2.182 24.343 -4.139 1.00 0.00 ATOM 178 NH2 ARG A 21 -1.775 26.407 -5.050 1.00 0.00 ATOM 179 O ARG A 21 3.117 21.175 -8.413 1.00 0.00 ATOM 180 C ARG A 21 3.651 21.921 -7.591 1.00 0.00 ATOM 181 N ASN A 22 4.249 23.060 -7.932 1.00 0.00 ATOM 182 CA ASN A 22 4.299 23.454 -9.339 1.00 0.00 ATOM 183 CB ASN A 22 4.198 24.959 -9.496 1.00 0.00 ATOM 184 CG ASN A 22 4.169 25.417 -10.929 1.00 0.00 ATOM 185 ND2 ASN A 22 4.483 26.672 -11.127 1.00 0.00 ATOM 186 OD1 ASN A 22 3.941 24.625 -11.851 1.00 0.00 ATOM 187 O ASN A 22 6.589 23.589 -10.171 1.00 0.00 ATOM 188 C ASN A 22 5.583 22.921 -9.981 1.00 0.00 ATOM 189 N PHE A 23 5.469 21.708 -10.494 1.00 0.00 ATOM 190 CA PHE A 23 6.604 20.980 -11.113 1.00 0.00 ATOM 191 CB PHE A 23 6.100 19.469 -11.348 1.00 0.00 ATOM 192 CG PHE A 23 5.682 18.648 -10.136 1.00 0.00 ATOM 193 CD1 PHE A 23 6.352 18.644 -8.933 1.00 0.00 ATOM 194 CD2 PHE A 23 4.544 17.849 -10.235 1.00 0.00 ATOM 195 CE1 PHE A 23 5.925 17.853 -7.872 1.00 0.00 ATOM 196 CE2 PHE A 23 4.092 17.051 -9.185 1.00 0.00 ATOM 197 CZ PHE A 23 4.817 17.050 -7.986 1.00 0.00 ATOM 198 O PHE A 23 8.398 21.386 -12.648 1.00 0.00 ATOM 199 C PHE A 23 7.258 21.667 -12.310 1.00 0.00 ATOM 200 N GLU A 24 6.496 22.654 -12.929 1.00 0.00 ATOM 201 CA GLU A 24 7.017 23.388 -14.085 1.00 0.00 ATOM 202 CB GLU A 24 5.924 24.270 -14.696 1.00 0.00 ATOM 203 CG GLU A 24 4.824 23.500 -15.412 1.00 0.00 ATOM 204 CD GLU A 24 3.736 24.421 -15.891 1.00 0.00 ATOM 205 OE1 GLU A 24 3.810 25.594 -15.610 1.00 0.00 ATOM 206 OE2 GLU A 24 2.891 23.976 -16.631 1.00 0.00 ATOM 207 O GLU A 24 9.194 24.254 -14.548 1.00 0.00 ATOM 208 C GLU A 24 8.233 24.254 -13.775 1.00 0.00 ATOM 209 N TRP A 25 8.260 24.849 -12.587 1.00 0.00 ATOM 210 CA TRP A 25 9.403 25.697 -12.172 1.00 0.00 ATOM 211 CB TRP A 25 9.188 26.402 -10.822 1.00 0.00 ATOM 212 CG TRP A 25 9.318 25.527 -9.579 1.00 0.00 ATOM 213 CD1 TRP A 25 8.312 25.065 -8.861 1.00 0.00 ATOM 214 CD2 TRP A 25 10.479 25.121 -8.931 1.00 0.00 ATOM 215 CE2 TRP A 25 10.068 24.375 -7.841 1.00 0.00 ATOM 216 CE3 TRP A 25 11.816 25.350 -9.148 1.00 0.00 ATOM 217 NE1 TRP A 25 8.746 24.338 -7.839 1.00 0.00 ATOM 218 CZ2 TRP A 25 11.007 23.853 -6.962 1.00 0.00 ATOM 219 CZ3 TRP A 25 12.750 24.816 -8.264 1.00 0.00 ATOM 220 CH2 TRP A 25 12.360 24.072 -7.182 1.00 0.00 ATOM 221 O TRP A 25 11.779 25.616 -12.274 1.00 0.00 ATOM 222 C TRP A 25 10.740 24.952 -12.179 1.00 0.00 ATOM 223 N GLU A 26 10.697 23.613 -12.155 1.00 0.00 ATOM 224 CA GLU A 26 11.923 22.795 -12.293 1.00 0.00 ATOM 225 CB GLU A 26 11.571 21.309 -12.402 1.00 0.00 ATOM 226 CG GLU A 26 11.053 20.690 -11.112 1.00 0.00 ATOM 227 CD GLU A 26 10.638 19.260 -11.321 1.00 0.00 ATOM 228 OE1 GLU A 26 10.691 18.803 -12.436 1.00 0.00 ATOM 229 OE2 GLU A 26 10.375 18.590 -10.350 1.00 0.00 ATOM 230 O GLU A 26 13.915 23.299 -13.517 1.00 0.00 ATOM 231 C GLU A 26 12.686 23.296 -13.513 1.00 0.00 ATOM 232 N ASN A 27 11.942 23.814 -14.534 1.00 0.00 ATOM 233 CA ASN A 27 12.593 24.252 -15.768 1.00 0.00 ATOM 234 CB ASN A 27 12.908 22.995 -16.631 1.00 0.00 ATOM 235 CG ASN A 27 11.697 22.086 -16.857 1.00 0.00 ATOM 236 ND2 ASN A 27 11.123 22.107 -18.042 1.00 0.00 ATOM 237 OD1 ASN A 27 11.314 21.360 -15.917 1.00 0.00 ATOM 238 O ASN A 27 12.677 26.222 -17.181 1.00 0.00 ATOM 239 C ASN A 27 12.063 25.587 -16.322 1.00 0.00 ATOM 240 N GLU A 28 10.933 26.040 -15.786 1.00 0.00 ATOM 241 CA GLU A 28 10.290 27.290 -16.205 1.00 0.00 ATOM 242 CB GLU A 28 8.914 27.430 -15.551 1.00 0.00 ATOM 243 CG GLU A 28 8.028 28.500 -16.175 1.00 0.00 ATOM 244 CD GLU A 28 7.689 28.164 -17.602 1.00 0.00 ATOM 245 OE1 GLU A 28 7.075 27.148 -17.823 1.00 0.00 ATOM 246 OE2 GLU A 28 7.943 28.978 -18.458 1.00 0.00 ATOM 247 O GLU A 28 11.979 28.467 -14.914 1.00 0.00 ATOM 248 C GLU A 28 11.181 28.476 -15.858 1.00 0.00 ATOM 249 N ASN A 29 11.050 29.500 -16.671 1.00 0.00 ATOM 250 CA ASN A 29 11.846 30.712 -16.446 1.00 0.00 ATOM 251 CB ASN A 29 11.733 31.676 -17.610 1.00 0.00 ATOM 252 CG ASN A 29 10.362 32.273 -17.772 1.00 0.00 ATOM 253 ND2 ASN A 29 9.785 32.059 -18.926 1.00 0.00 ATOM 254 OD1 ASN A 29 9.803 32.855 -16.836 1.00 0.00 ATOM 255 O ASN A 29 10.522 31.083 -14.483 1.00 0.00 ATOM 256 C ASN A 29 11.483 31.452 -15.152 1.00 0.00 ATOM 257 N GLY A 30 12.359 32.408 -14.801 1.00 0.00 ATOM 258 CA GLY A 30 12.277 33.172 -13.545 1.00 0.00 ATOM 259 O GLY A 30 9.859 33.339 -13.398 1.00 0.00 ATOM 260 C GLY A 30 10.944 33.907 -13.426 1.00 0.00 ATOM 261 N ALA A 31 11.094 35.219 -13.252 1.00 0.00 ATOM 262 CA ALA A 31 9.972 36.177 -13.044 1.00 0.00 ATOM 263 CB ALA A 31 9.209 36.433 -14.354 1.00 0.00 ATOM 264 O ALA A 31 7.798 35.869 -12.005 1.00 0.00 ATOM 265 C ALA A 31 9.021 35.857 -11.848 1.00 0.00 ATOM 266 N PRO A 32 9.565 35.688 -10.627 1.00 0.00 ATOM 267 CA PRO A 32 8.777 35.496 -9.397 1.00 0.00 ATOM 268 CB PRO A 32 9.700 34.822 -8.389 1.00 0.00 ATOM 269 CG PRO A 32 11.040 35.355 -8.825 1.00 0.00 ATOM 270 CD PRO A 32 10.972 35.378 -10.342 1.00 0.00 ATOM 271 O PRO A 32 9.013 37.767 -8.577 1.00 0.00 ATOM 272 C PRO A 32 8.294 36.784 -8.718 1.00 0.00 ATOM 273 N GLU A 33 7.167 36.576 -8.071 1.00 0.00 ATOM 274 CA GLU A 33 6.620 37.525 -7.099 1.00 0.00 ATOM 275 CB GLU A 33 5.143 37.462 -7.219 1.00 0.00 ATOM 276 CG GLU A 33 4.642 38.711 -6.499 1.00 0.00 ATOM 277 CD GLU A 33 3.192 39.057 -6.800 1.00 0.00 ATOM 278 OE1 GLU A 33 2.704 38.762 -7.914 1.00 0.00 ATOM 279 OE2 GLU A 33 2.531 39.641 -5.914 1.00 0.00 ATOM 280 O GLU A 33 6.309 35.802 -5.485 1.00 0.00 ATOM 281 C GLU A 33 6.824 36.901 -5.733 1.00 0.00 ATOM 282 N THR A 34 7.550 37.553 -4.889 1.00 0.00 ATOM 283 CA THR A 34 7.817 37.008 -3.566 1.00 0.00 ATOM 284 CB THR A 34 9.231 37.302 -3.110 1.00 0.00 ATOM 285 CG2 THR A 34 9.486 36.689 -1.731 1.00 0.00 ATOM 286 OG1 THR A 34 10.158 36.682 -4.002 1.00 0.00 ATOM 287 O THR A 34 7.043 38.956 -2.403 1.00 0.00 ATOM 288 C THR A 34 6.978 37.730 -2.533 1.00 0.00 ATOM 289 N LYS A 35 6.136 36.975 -1.822 1.00 0.00 ATOM 290 CA LYS A 35 5.304 37.570 -0.791 1.00 0.00 ATOM 291 CB LYS A 35 3.849 37.209 -1.018 1.00 0.00 ATOM 292 CG LYS A 35 2.908 37.968 -0.103 1.00 0.00 ATOM 293 CD LYS A 35 1.471 37.504 -0.259 1.00 0.00 ATOM 294 CE LYS A 35 0.602 38.006 0.888 1.00 0.00 ATOM 295 NZ LYS A 35 -0.860 37.943 0.577 1.00 0.00 ATOM 296 O LYS A 35 6.104 35.885 0.721 1.00 0.00 ATOM 297 C LYS A 35 5.822 37.073 0.561 1.00 0.00 ATOM 298 N VAL A 36 5.993 38.018 1.478 1.00 0.00 ATOM 299 CA VAL A 36 6.491 37.705 2.839 1.00 0.00 ATOM 300 CB VAL A 36 7.814 38.487 3.137 1.00 0.00 ATOM 301 CG1 VAL A 36 8.308 38.196 4.564 1.00 0.00 ATOM 302 CG2 VAL A 36 8.888 38.148 2.101 1.00 0.00 ATOM 303 O VAL A 36 4.986 39.128 4.044 1.00 0.00 ATOM 304 C VAL A 36 5.475 37.999 3.957 1.00 0.00 ATOM 305 N ASP A 37 5.144 37.000 4.759 1.00 0.00 ATOM 306 CA ASP A 37 4.218 37.201 5.876 1.00 0.00 ATOM 307 CB ASP A 37 2.954 36.356 5.699 1.00 0.00 ATOM 308 CG ASP A 37 1.914 36.544 6.796 1.00 0.00 ATOM 309 OD1 ASP A 37 2.208 37.214 7.757 1.00 0.00 ATOM 310 OD2 ASP A 37 0.788 36.152 6.593 1.00 0.00 ATOM 311 O ASP A 37 5.666 35.823 7.220 1.00 0.00 ATOM 312 C ASP A 37 4.973 36.832 7.153 1.00 0.00 ATOM 313 N VAL A 38 4.941 37.766 8.105 1.00 0.00 ATOM 314 CA VAL A 38 5.587 37.563 9.411 1.00 0.00 ATOM 315 CB VAL A 38 6.653 38.653 9.680 1.00 0.00 ATOM 316 CG1 VAL A 38 7.359 38.461 11.021 1.00 0.00 ATOM 317 CG2 VAL A 38 7.729 38.620 8.595 1.00 0.00 ATOM 318 O VAL A 38 3.755 38.531 10.663 1.00 0.00 ATOM 319 C VAL A 38 4.532 37.588 10.522 1.00 0.00 ATOM 320 N ASN A 39 4.739 36.642 11.424 1.00 0.00 ATOM 321 CA ASN A 39 3.919 36.559 12.630 1.00 0.00 ATOM 322 CB ASN A 39 2.848 35.495 12.478 1.00 0.00 ATOM 323 CG ASN A 39 1.874 35.771 11.368 1.00 0.00 ATOM 324 ND2 ASN A 39 2.002 35.019 10.304 1.00 0.00 ATOM 325 OD1 ASN A 39 0.970 36.605 11.500 1.00 0.00 ATOM 326 O ASN A 39 5.839 35.663 13.744 1.00 0.00 ATOM 327 C ASN A 39 4.774 36.271 13.856 1.00 0.00 ATOM 328 N PHE A 40 4.409 36.926 14.955 1.00 0.00 ATOM 329 CA PHE A 40 5.115 36.697 16.222 1.00 0.00 ATOM 330 CB PHE A 40 5.817 38.022 16.608 1.00 0.00 ATOM 331 CG PHE A 40 6.551 37.965 17.917 1.00 0.00 ATOM 332 CD1 PHE A 40 7.804 37.381 18.009 1.00 0.00 ATOM 333 CD2 PHE A 40 5.945 38.458 19.065 1.00 0.00 ATOM 334 CE1 PHE A 40 8.458 37.284 19.257 1.00 0.00 ATOM 335 CE2 PHE A 40 6.578 38.367 20.302 1.00 0.00 ATOM 336 CZ PHE A 40 7.837 37.778 20.387 1.00 0.00 ATOM 337 O PHE A 40 3.113 36.939 17.510 1.00 0.00 ATOM 338 C PHE A 40 4.186 36.357 17.383 1.00 0.00 ATOM 339 N GLN A 41 4.621 35.443 18.222 1.00 0.00 ATOM 340 CA GLN A 41 3.901 35.135 19.464 1.00 0.00 ATOM 341 CB GLN A 41 2.939 33.983 19.159 1.00 0.00 ATOM 342 CG GLN A 41 2.076 33.564 20.336 1.00 0.00 ATOM 343 CD GLN A 41 1.082 32.479 19.968 1.00 0.00 ATOM 344 OE1 GLN A 41 1.040 32.017 18.824 1.00 0.00 ATOM 345 NE2 GLN A 41 0.270 32.069 20.936 1.00 0.00 ATOM 346 O GLN A 41 5.825 33.979 20.363 1.00 0.00 ATOM 347 C GLN A 41 4.879 34.730 20.565 1.00 0.00 ATOM 348 N LEU A 42 4.564 35.236 21.743 1.00 0.00 ATOM 349 CA LEU A 42 5.400 34.973 22.929 1.00 0.00 ATOM 350 CB LEU A 42 6.137 36.251 23.351 1.00 0.00 ATOM 351 CG LEU A 42 6.886 36.162 24.686 1.00 0.00 ATOM 352 CD1 LEU A 42 8.229 36.870 24.581 1.00 0.00 ATOM 353 CD2 LEU A 42 6.037 36.779 25.789 1.00 0.00 ATOM 354 O LEU A 42 3.492 34.919 24.392 1.00 0.00 ATOM 355 C LEU A 42 4.595 34.443 24.106 1.00 0.00 ATOM 356 N LEU A 43 5.199 33.481 24.780 1.00 0.00 ATOM 357 CA LEU A 43 4.552 32.820 25.917 1.00 0.00 ATOM 358 CB LEU A 43 3.905 31.507 25.459 1.00 0.00 ATOM 359 CG LEU A 43 2.731 31.662 24.486 1.00 0.00 ATOM 360 CD1 LEU A 43 2.319 30.301 23.941 1.00 0.00 ATOM 361 CD2 LEU A 43 1.565 32.334 25.195 1.00 0.00 ATOM 362 O LEU A 43 6.624 32.070 26.892 1.00 0.00 ATOM 363 C LEU A 43 5.495 32.523 27.084 1.00 0.00 ATOM 364 N GLN A 44 4.981 32.747 28.282 1.00 0.00 ATOM 365 CA GLN A 44 5.722 32.397 29.503 1.00 0.00 ATOM 366 CB GLN A 44 5.176 33.177 30.703 1.00 0.00 ATOM 367 CG GLN A 44 5.915 32.915 32.002 1.00 0.00 ATOM 368 CD GLN A 44 5.414 33.787 33.138 1.00 0.00 ATOM 369 OE1 GLN A 44 4.510 34.607 32.958 1.00 0.00 ATOM 370 NE2 GLN A 44 6.004 33.617 34.317 1.00 0.00 ATOM 371 O GLN A 44 4.562 30.293 29.847 1.00 0.00 ATOM 372 C GLN A 44 5.644 30.889 29.766 1.00 0.00 ATOM 373 N HIS A 45 6.807 30.310 29.905 1.00 0.00 ATOM 374 CA HIS A 45 6.894 28.875 30.185 1.00 0.00 ATOM 375 CB HIS A 45 7.837 28.332 28.966 1.00 0.00 ATOM 376 CG HIS A 45 8.000 26.846 28.920 1.00 0.00 ATOM 377 CD2 HIS A 45 8.902 26.030 29.511 1.00 0.00 ATOM 378 ND1 HIS A 45 7.164 26.027 28.186 1.00 0.00 ATOM 379 CE1 HIS A 45 7.548 24.773 28.330 1.00 0.00 ATOM 380 NE2 HIS A 45 8.600 24.745 29.128 1.00 0.00 ATOM 381 O HIS A 45 6.781 27.492 32.145 1.00 0.00 ATOM 382 C HIS A 45 7.186 28.539 31.646 1.00 0.00 ATOM 383 N ASP A 46 7.758 29.531 32.314 1.00 0.00 ATOM 384 CA ASP A 46 8.019 29.511 33.756 1.00 0.00 ATOM 385 CB ASP A 46 9.090 28.460 34.067 1.00 0.00 ATOM 386 CG ASP A 46 9.104 27.986 35.513 1.00 0.00 ATOM 387 OD1 ASP A 46 8.321 28.481 36.289 1.00 0.00 ATOM 388 OD2 ASP A 46 9.780 27.026 35.795 1.00 0.00 ATOM 389 O ASP A 46 8.394 31.855 33.358 1.00 0.00 ATOM 390 C ASP A 46 8.444 30.926 34.167 1.00 0.00 ATOM 391 N GLN A 47 8.620 31.132 35.464 1.00 0.00 ATOM 392 CA GLN A 47 8.944 32.470 35.986 1.00 0.00 ATOM 393 CB GLN A 47 9.212 32.414 37.486 1.00 0.00 ATOM 394 CG GLN A 47 7.989 32.228 38.353 1.00 0.00 ATOM 395 CD GLN A 47 8.319 32.349 39.842 1.00 0.00 ATOM 396 OE1 GLN A 47 8.239 33.442 40.416 1.00 0.00 ATOM 397 NE2 GLN A 47 8.681 31.235 40.461 1.00 0.00 ATOM 398 O GLN A 47 11.256 32.286 35.439 1.00 0.00 ATOM 399 C GLN A 47 10.240 32.946 35.322 1.00 0.00 ATOM 400 N GLU A 48 10.113 34.109 34.572 1.00 0.00 ATOM 401 CA GLU A 48 11.248 34.726 33.853 1.00 0.00 ATOM 402 CB GLU A 48 11.995 35.653 34.933 1.00 0.00 ATOM 403 CG GLU A 48 13.005 36.579 34.334 1.00 0.00 ATOM 404 CD GLU A 48 13.909 37.314 35.275 1.00 0.00 ATOM 405 OE1 GLU A 48 14.022 37.060 36.467 1.00 0.00 ATOM 406 OE2 GLU A 48 14.608 38.259 34.739 1.00 0.00 ATOM 407 O GLU A 48 12.853 34.212 32.118 1.00 0.00 ATOM 408 C GLU A 48 11.838 33.884 32.724 1.00 0.00 ATOM 409 N ASN A 49 11.023 32.928 32.302 1.00 0.00 ATOM 410 CA ASN A 49 11.402 32.048 31.200 1.00 0.00 ATOM 411 CB ASN A 49 11.417 30.589 31.650 1.00 0.00 ATOM 412 CG ASN A 49 11.936 29.650 30.568 1.00 0.00 ATOM 413 ND2 ASN A 49 13.007 28.931 30.874 1.00 0.00 ATOM 414 OD1 ASN A 49 11.376 29.571 29.472 1.00 0.00 ATOM 415 O ASN A 49 9.132 31.873 30.390 1.00 0.00 ATOM 416 C ASN A 49 10.309 32.154 30.142 1.00 0.00 ATOM 417 N GLN A 50 10.721 32.652 28.991 1.00 0.00 ATOM 418 CA GLN A 50 9.774 32.917 27.892 1.00 0.00 ATOM 419 CB GLN A 50 9.631 34.423 27.666 1.00 0.00 ATOM 420 CG GLN A 50 9.056 35.180 28.851 1.00 0.00 ATOM 421 CD GLN A 50 9.185 36.683 28.698 1.00 0.00 ATOM 422 OE1 GLN A 50 9.794 37.174 27.743 1.00 0.00 ATOM 423 NE2 GLN A 50 8.618 37.425 29.641 1.00 0.00 ATOM 424 O GLN A 50 11.400 32.158 26.275 1.00 0.00 ATOM 425 C GLN A 50 10.218 32.252 26.592 1.00 0.00 ATOM 426 N VAL A 51 9.197 31.885 25.851 1.00 0.00 ATOM 427 CA VAL A 51 9.394 31.378 24.492 1.00 0.00 ATOM 428 CB VAL A 51 8.641 30.060 24.257 1.00 0.00 ATOM 429 CG1 VAL A 51 8.898 29.516 22.853 1.00 0.00 ATOM 430 CG2 VAL A 51 9.150 29.037 25.219 1.00 0.00 ATOM 431 O VAL A 51 7.766 32.895 23.612 1.00 0.00 ATOM 432 C VAL A 51 8.912 32.437 23.518 1.00 0.00 ATOM 433 N THR A 52 9.723 32.600 22.502 1.00 0.00 ATOM 434 CA THR A 52 9.328 33.487 21.404 1.00 0.00 ATOM 435 CB THR A 52 10.361 34.609 21.240 1.00 0.00 ATOM 436 CG2 THR A 52 9.985 35.498 20.063 1.00 0.00 ATOM 437 OG1 THR A 52 10.351 35.399 22.428 1.00 0.00 ATOM 438 O THR A 52 10.292 31.923 19.860 1.00 0.00 ATOM 439 C THR A 52 9.345 32.672 20.116 1.00 0.00 ATOM 440 N SER A 53 8.276 32.785 19.384 1.00 0.00 ATOM 441 CA SER A 53 8.185 32.093 18.104 1.00 0.00 ATOM 442 CB SER A 53 7.069 31.067 18.139 1.00 0.00 ATOM 443 OG SER A 53 6.903 30.428 16.903 1.00 0.00 ATOM 444 O SER A 53 7.223 34.050 17.088 1.00 0.00 ATOM 445 C SER A 53 8.043 33.121 16.991 1.00 0.00 ATOM 446 N LEU A 54 8.827 32.961 15.978 1.00 0.00 ATOM 447 CA LEU A 54 8.723 33.833 14.807 1.00 0.00 ATOM 448 CB LEU A 54 10.055 34.551 14.556 1.00 0.00 ATOM 449 CG LEU A 54 10.040 35.572 13.412 1.00 0.00 ATOM 450 CD1 LEU A 54 8.986 36.639 13.679 1.00 0.00 ATOM 451 CD2 LEU A 54 11.420 36.200 13.273 1.00 0.00 ATOM 452 O LEU A 54 9.014 31.972 13.310 1.00 0.00 ATOM 453 C LEU A 54 8.335 32.946 13.628 1.00 0.00 ATOM 454 N ILE A 55 7.189 33.269 13.035 1.00 0.00 ATOM 455 CA ILE A 55 6.726 32.521 11.862 1.00 0.00 ATOM 456 CB ILE A 55 5.255 32.178 12.018 1.00 0.00 ATOM 457 CG1 ILE A 55 4.954 31.385 13.306 1.00 0.00 ATOM 458 CG2 ILE A 55 4.752 31.454 10.788 1.00 0.00 ATOM 459 CD1 ILE A 55 3.459 31.387 13.684 1.00 0.00 ATOM 460 O ILE A 55 6.522 34.524 10.544 1.00 0.00 ATOM 461 C ILE A 55 6.983 33.386 10.636 1.00 0.00 ATOM 462 N VAL A 56 7.749 32.796 9.724 1.00 0.00 ATOM 463 CA VAL A 56 8.035 33.452 8.446 1.00 0.00 ATOM 464 CB VAL A 56 9.548 33.625 8.219 1.00 0.00 ATOM 465 CG1 VAL A 56 9.842 34.296 6.868 1.00 0.00 ATOM 466 CG2 VAL A 56 10.133 34.516 9.309 1.00 0.00 ATOM 467 O VAL A 56 7.793 31.463 7.123 1.00 0.00 ATOM 468 C VAL A 56 7.456 32.634 7.302 1.00 0.00 ATOM 469 N ILE A 57 6.596 33.269 6.536 1.00 0.00 ATOM 470 CA ILE A 57 5.954 32.612 5.411 1.00 0.00 ATOM 471 CB ILE A 57 4.419 32.646 5.538 1.00 0.00 ATOM 472 CG1 ILE A 57 3.972 31.895 6.796 1.00 0.00 ATOM 473 CG2 ILE A 57 3.768 32.052 4.299 1.00 0.00 ATOM 474 CD1 ILE A 57 2.504 32.067 7.119 1.00 0.00 ATOM 475 O ILE A 57 6.188 34.517 3.961 1.00 0.00 ATOM 476 C ILE A 57 6.376 33.310 4.128 1.00 0.00 ATOM 477 N LEU A 58 6.877 32.483 3.216 1.00 0.00 ATOM 478 CA LEU A 58 7.321 32.960 1.912 1.00 0.00 ATOM 479 CB LEU A 58 8.841 32.795 1.789 1.00 0.00 ATOM 480 CG LEU A 58 9.669 33.595 2.803 1.00 0.00 ATOM 481 CD1 LEU A 58 11.141 33.224 2.682 1.00 0.00 ATOM 482 CD2 LEU A 58 9.466 35.083 2.565 1.00 0.00 ATOM 483 O LEU A 58 6.456 31.005 0.787 1.00 0.00 ATOM 484 C LEU A 58 6.609 32.219 0.780 1.00 0.00 ATOM 485 N SER A 59 6.053 33.017 -0.123 1.00 0.00 ATOM 486 CA SER A 59 5.355 32.487 -1.304 1.00 0.00 ATOM 487 CB SER A 59 3.875 32.801 -1.217 1.00 0.00 ATOM 488 OG SER A 59 3.174 32.344 -2.341 1.00 0.00 ATOM 489 O SER A 59 6.085 34.304 -2.676 1.00 0.00 ATOM 490 C SER A 59 5.991 33.079 -2.551 1.00 0.00 ATOM 491 N PHE A 60 6.319 32.198 -3.487 1.00 0.00 ATOM 492 CA PHE A 60 6.921 32.633 -4.749 1.00 0.00 ATOM 493 CB PHE A 60 8.366 32.142 -4.857 1.00 0.00 ATOM 494 CG PHE A 60 9.227 32.527 -3.688 1.00 0.00 ATOM 495 CD1 PHE A 60 9.146 31.832 -2.490 1.00 0.00 ATOM 496 CD2 PHE A 60 10.117 33.586 -3.783 1.00 0.00 ATOM 497 CE1 PHE A 60 9.938 32.186 -1.414 1.00 0.00 ATOM 498 CE2 PHE A 60 10.910 33.941 -2.709 1.00 0.00 ATOM 499 CZ PHE A 60 10.820 33.241 -1.523 1.00 0.00 ATOM 500 O PHE A 60 5.867 30.904 -5.986 1.00 0.00 ATOM 501 C PHE A 60 6.081 32.110 -5.903 1.00 0.00 ATOM 502 N MET A 61 5.572 33.023 -6.719 1.00 0.00 ATOM 503 CA MET A 61 4.745 32.639 -7.872 1.00 0.00 ATOM 504 CB MET A 61 3.311 33.146 -7.692 1.00 0.00 ATOM 505 CG MET A 61 3.215 34.679 -7.688 1.00 0.00 ATOM 506 SD MET A 61 1.540 35.311 -7.352 1.00 0.00 ATOM 507 CE MET A 61 1.384 34.768 -5.666 1.00 0.00 ATOM 508 O MET A 61 5.946 34.196 -9.246 1.00 0.00 ATOM 509 C MET A 61 5.332 33.137 -9.191 1.00 0.00 ATOM 510 N ILE A 62 5.041 32.356 -10.228 1.00 0.00 ATOM 511 CA ILE A 62 5.404 32.734 -11.604 1.00 0.00 ATOM 512 CB ILE A 62 5.127 31.590 -12.596 1.00 0.00 ATOM 513 CG1 ILE A 62 6.073 30.414 -12.332 1.00 0.00 ATOM 514 CG2 ILE A 62 5.269 32.080 -14.028 1.00 0.00 ATOM 515 CD1 ILE A 62 5.701 29.153 -13.077 1.00 0.00 ATOM 516 O ILE A 62 5.216 34.735 -12.792 1.00 0.00 ATOM 517 C ILE A 62 4.638 33.982 -12.023 1.00 0.00 ATOM 518 N VAL A 63 3.335 34.053 -11.698 1.00 0.00 ATOM 519 CA VAL A 63 2.482 35.243 -11.922 1.00 0.00 ATOM 520 CB VAL A 63 3.094 36.476 -12.634 1.00 0.00 ATOM 521 CG1 VAL A 63 2.098 37.567 -13.014 1.00 0.00 ATOM 522 CG2 VAL A 63 4.069 37.148 -11.667 1.00 0.00 ATOM 523 O VAL A 63 0.201 35.516 -12.310 1.00 0.00 ATOM 524 C VAL A 63 1.232 34.979 -12.716 1.00 0.00 ATOM 525 N PHE A 64 1.372 34.341 -13.873 1.00 0.00 ATOM 526 CA PHE A 64 0.202 33.952 -14.700 1.00 0.00 ATOM 527 CB PHE A 64 0.920 33.729 -16.238 1.00 0.00 ATOM 528 CG PHE A 64 2.345 34.155 -16.425 1.00 0.00 ATOM 529 CD1 PHE A 64 2.746 35.416 -16.031 1.00 0.00 ATOM 530 CD2 PHE A 64 3.211 33.306 -17.107 1.00 0.00 ATOM 531 CE1 PHE A 64 4.068 35.903 -16.248 1.00 0.00 ATOM 532 CE2 PHE A 64 4.529 33.750 -17.338 1.00 0.00 ATOM 533 CZ PHE A 64 4.940 34.996 -16.889 1.00 0.00 ATOM 534 O PHE A 64 -1.379 32.204 -14.283 1.00 0.00 ATOM 535 C PHE A 64 -0.583 33.012 -13.798 1.00 0.00 ATOM 536 N ASP A 65 -0.472 33.156 -12.373 1.00 0.00 ATOM 537 CA ASP A 65 -1.274 32.441 -11.385 1.00 0.00 ATOM 538 CB ASP A 65 -2.701 32.248 -11.846 1.00 0.00 ATOM 539 CG ASP A 65 -3.455 33.567 -11.916 1.00 0.00 ATOM 540 OD1 ASP A 65 -3.250 34.498 -11.101 1.00 0.00 ATOM 541 OD2 ASP A 65 -4.283 33.603 -12.845 1.00 0.00 ATOM 542 O ASP A 65 -1.284 30.365 -10.186 1.00 0.00 ATOM 543 C ASP A 65 -0.674 31.105 -10.963 1.00 0.00 ATOM 544 N LYS A 66 0.489 30.789 -11.434 1.00 0.00 ATOM 545 CA LYS A 66 1.148 29.534 -11.095 1.00 0.00 ATOM 546 CB LYS A 66 1.481 28.770 -12.430 1.00 0.00 ATOM 547 CG LYS A 66 0.385 28.721 -13.479 1.00 0.00 ATOM 548 CD LYS A 66 0.860 27.921 -14.687 1.00 0.00 ATOM 549 CE LYS A 66 -0.132 27.994 -15.831 1.00 0.00 ATOM 550 NZ LYS A 66 -0.246 29.386 -16.354 1.00 0.00 ATOM 551 O LYS A 66 3.202 30.270 -10.121 1.00 0.00 ATOM 552 C LYS A 66 2.146 29.670 -9.951 1.00 0.00 ATOM 553 N PHE A 67 1.819 29.083 -8.804 1.00 0.00 ATOM 554 CA PHE A 67 2.672 29.160 -7.593 1.00 0.00 ATOM 555 CB PHE A 67 1.901 28.670 -6.365 1.00 0.00 ATOM 556 CG PHE A 67 0.840 29.622 -5.895 1.00 0.00 ATOM 557 CD1 PHE A 67 -0.482 29.457 -6.279 1.00 0.00 ATOM 558 CD2 PHE A 67 1.161 30.688 -5.067 1.00 0.00 ATOM 559 CE1 PHE A 67 -1.459 30.333 -5.846 1.00 0.00 ATOM 560 CE2 PHE A 67 0.189 31.565 -4.632 1.00 0.00 ATOM 561 CZ PHE A 67 -1.124 31.388 -5.022 1.00 0.00 ATOM 562 O PHE A 67 3.881 27.104 -7.723 1.00 0.00 ATOM 563 C PHE A 67 3.943 28.333 -7.641 1.00 0.00 ATOM 564 N VAL A 68 5.147 29.033 -7.640 1.00 0.00 ATOM 565 CA VAL A 68 6.411 28.341 -7.751 1.00 0.00 ATOM 566 CB VAL A 68 7.582 29.338 -7.834 1.00 0.00 ATOM 567 CG1 VAL A 68 8.911 28.612 -7.689 1.00 0.00 ATOM 568 CG2 VAL A 68 7.535 30.109 -9.143 1.00 0.00 ATOM 569 O VAL A 68 6.516 26.218 -6.601 1.00 0.00 ATOM 570 C VAL A 68 6.597 27.446 -6.500 1.00 0.00 ATOM 571 N ILE A 69 6.641 28.080 -5.341 1.00 0.00 ATOM 572 CA ILE A 69 6.893 27.393 -4.065 1.00 0.00 ATOM 573 CB ILE A 69 8.401 27.209 -3.768 1.00 0.00 ATOM 574 CG1 ILE A 69 9.149 28.547 -3.833 1.00 0.00 ATOM 575 CG2 ILE A 69 9.031 26.153 -4.679 1.00 0.00 ATOM 576 CD1 ILE A 69 10.628 28.522 -3.414 1.00 0.00 ATOM 577 O ILE A 69 5.978 29.338 -2.983 1.00 0.00 ATOM 578 C ILE A 69 6.275 28.159 -2.886 1.00 0.00 ATOM 579 N SER A 70 6.102 27.425 -1.798 1.00 0.00 ATOM 580 CA SER A 70 5.746 28.030 -0.510 1.00 0.00 ATOM 581 CB SER A 70 4.264 27.818 -0.266 1.00 0.00 ATOM 582 OG SER A 70 3.812 28.366 0.977 1.00 0.00 ATOM 583 O SER A 70 6.725 26.224 0.740 1.00 0.00 ATOM 584 C SER A 70 6.584 27.434 0.614 1.00 0.00 ATOM 585 N GLY A 71 7.098 28.340 1.433 1.00 0.00 ATOM 586 CA GLY A 71 7.980 27.997 2.547 1.00 0.00 ATOM 587 O GLY A 71 7.593 29.902 3.953 1.00 0.00 ATOM 588 C GLY A 71 7.531 28.677 3.832 1.00 0.00 ATOM 589 N THR A 72 7.218 27.852 4.814 1.00 0.00 ATOM 590 CA THR A 72 6.831 28.336 6.151 1.00 0.00 ATOM 591 CB THR A 72 5.350 28.023 6.436 1.00 0.00 ATOM 592 CG2 THR A 72 4.952 28.535 7.812 1.00 0.00 ATOM 593 OG1 THR A 72 4.528 28.646 5.440 1.00 0.00 ATOM 594 O THR A 72 7.875 26.494 7.362 1.00 0.00 ATOM 595 C THR A 72 7.731 27.714 7.240 1.00 0.00 ATOM 596 N ILE A 73 8.293 28.606 8.065 1.00 0.00 ATOM 597 CA ILE A 73 9.143 28.192 9.188 1.00 0.00 ATOM 598 CB ILE A 73 10.522 28.819 9.057 1.00 0.00 ATOM 599 CG1 ILE A 73 11.255 28.117 7.917 1.00 0.00 ATOM 600 CG2 ILE A 73 11.265 28.639 10.362 1.00 0.00 ATOM 601 CD1 ILE A 73 12.631 28.660 7.655 1.00 0.00 ATOM 602 O ILE A 73 8.405 30.087 10.479 1.00 0.00 ATOM 603 C ILE A 73 8.625 28.878 10.461 1.00 0.00 ATOM 604 N SER A 74 8.641 28.083 11.526 1.00 0.00 ATOM 605 CA SER A 74 8.368 28.557 12.879 1.00 0.00 ATOM 606 CB SER A 74 7.189 27.807 13.468 1.00 0.00 ATOM 607 OG SER A 74 6.914 28.205 14.781 1.00 0.00 ATOM 608 O SER A 74 10.069 27.228 13.951 1.00 0.00 ATOM 609 C SER A 74 9.653 28.356 13.663 1.00 0.00 ATOM 610 N GLN A 75 10.410 29.442 13.720 1.00 0.00 ATOM 611 CA GLN A 75 11.652 29.443 14.499 1.00 0.00 ATOM 612 CB GLN A 75 12.686 30.378 13.865 1.00 0.00 ATOM 613 CG GLN A 75 13.840 30.744 14.783 1.00 0.00 ATOM 614 CD GLN A 75 14.842 29.614 14.933 1.00 0.00 ATOM 615 OE1 GLN A 75 15.231 28.977 13.950 1.00 0.00 ATOM 616 NE2 GLN A 75 15.259 29.355 16.166 1.00 0.00 ATOM 617 O GLN A 75 10.707 30.926 16.148 1.00 0.00 ATOM 618 C GLN A 75 11.307 29.863 15.910 1.00 0.00 ATOM 619 N VAL A 76 11.744 29.061 16.880 1.00 0.00 ATOM 620 CA VAL A 76 11.446 29.269 18.275 1.00 0.00 ATOM 621 CB VAL A 76 10.743 27.991 18.784 1.00 0.00 ATOM 622 CG1 VAL A 76 10.451 27.961 20.279 1.00 0.00 ATOM 623 CG2 VAL A 76 9.386 27.894 18.108 1.00 0.00 ATOM 624 O VAL A 76 13.816 28.974 18.600 1.00 0.00 ATOM 625 C VAL A 76 12.760 29.451 19.021 1.00 0.00 ATOM 626 N ASN A 77 12.596 30.004 20.201 1.00 0.00 ATOM 627 CA ASN A 77 13.682 30.087 21.168 1.00 0.00 ATOM 628 CB ASN A 77 14.424 31.409 21.033 1.00 0.00 ATOM 629 CG ASN A 77 15.591 31.513 21.991 1.00 0.00 ATOM 630 ND2 ASN A 77 16.734 31.953 21.483 1.00 0.00 ATOM 631 OD1 ASN A 77 15.466 31.215 23.176 1.00 0.00 ATOM 632 O ASN A 77 12.023 30.722 22.798 1.00 0.00 ATOM 633 C ASN A 77 13.106 30.178 22.573 1.00 0.00 ATOM 634 N HIS A 78 13.889 29.605 23.476 1.00 0.00 ATOM 635 CA HIS A 78 13.621 29.613 24.916 1.00 0.00 ATOM 636 CB HIS A 78 13.778 28.167 25.379 1.00 0.00 ATOM 637 CG HIS A 78 12.640 27.209 25.018 1.00 0.00 ATOM 638 CD2 HIS A 78 11.802 27.224 23.992 1.00 0.00 ATOM 639 ND1 HIS A 78 12.371 26.109 25.709 1.00 0.00 ATOM 640 CE1 HIS A 78 11.385 25.450 25.103 1.00 0.00 ATOM 641 NE2 HIS A 78 10.992 26.164 24.057 1.00 0.00 ATOM 642 O HIS A 78 15.857 30.276 25.485 1.00 0.00 ATOM 643 C HIS A 78 14.652 30.512 25.583 1.00 0.00 ATOM 644 N ILE A 79 14.191 31.571 26.273 1.00 0.00 ATOM 645 CA ILE A 79 15.039 32.561 26.904 1.00 0.00 ATOM 646 CB ILE A 79 14.782 33.943 26.279 1.00 0.00 ATOM 647 CG1 ILE A 79 13.389 34.453 26.664 1.00 0.00 ATOM 648 CG2 ILE A 79 14.926 33.877 24.765 1.00 0.00 ATOM 649 CD1 ILE A 79 13.196 35.934 26.432 1.00 0.00 ATOM 650 O ILE A 79 13.683 32.729 28.878 1.00 0.00 ATOM 651 C ILE A 79 14.821 32.644 28.414 1.00 0.00 ATOM 652 N ASP A 80 15.942 32.838 29.099 1.00 0.00 ATOM 653 CA ASP A 80 15.988 33.007 30.562 1.00 0.00 ATOM 654 CB ASP A 80 15.791 31.662 31.266 1.00 0.00 ATOM 655 CG ASP A 80 15.395 31.771 32.731 1.00 0.00 ATOM 656 OD1 ASP A 80 15.212 32.871 33.197 1.00 0.00 ATOM 657 OD2 ASP A 80 15.126 30.757 33.330 1.00 0.00 ATOM 658 O ASP A 80 18.341 33.499 30.316 1.00 0.00 ATOM 659 C ASP A 80 17.305 33.657 30.971 1.00 0.00 ATOM 660 N GLY A 81 17.198 34.407 32.073 1.00 0.00 ATOM 661 CA GLY A 81 18.393 34.928 32.739 1.00 0.00 ATOM 662 O GLY A 81 19.573 36.974 32.910 1.00 0.00 ATOM 663 C GLY A 81 18.682 36.352 32.338 1.00 0.00 ATOM 664 N ARG A 82 17.981 36.869 31.301 1.00 0.00 ATOM 665 CA ARG A 82 18.216 38.245 30.924 1.00 0.00 ATOM 666 CB ARG A 82 17.450 38.555 29.646 1.00 0.00 ATOM 667 CG ARG A 82 17.657 39.959 29.101 1.00 0.00 ATOM 668 CD ARG A 82 16.898 40.251 27.857 1.00 0.00 ATOM 669 NE ARG A 82 17.267 39.424 26.720 1.00 0.00 ATOM 670 CZ ARG A 82 18.326 39.652 25.919 1.00 0.00 ATOM 671 NH1 ARG A 82 19.101 40.698 26.103 1.00 0.00 ATOM 672 NH2 ARG A 82 18.551 38.810 24.926 1.00 0.00 ATOM 673 O ARG A 82 16.790 39.020 32.719 1.00 0.00 ATOM 674 C ARG A 82 17.826 39.179 32.075 1.00 0.00 ATOM 675 N ILE A 83 18.693 40.145 32.312 1.00 0.00 ATOM 676 CA ILE A 83 18.426 41.201 33.301 1.00 0.00 ATOM 677 CB ILE A 83 19.742 41.808 33.863 1.00 0.00 ATOM 678 CG1 ILE A 83 20.634 40.722 34.478 1.00 0.00 ATOM 679 CG2 ILE A 83 19.429 42.899 34.883 1.00 0.00 ATOM 680 CD1 ILE A 83 20.008 39.957 35.633 1.00 0.00 ATOM 681 O ILE A 83 17.895 42.875 31.670 1.00 0.00 ATOM 682 C ILE A 83 17.551 42.294 32.699 1.00 0.00 ATOM 683 N VAL A 84 16.483 42.624 33.416 1.00 0.00 ATOM 684 CA VAL A 84 15.575 43.669 32.952 1.00 0.00 ATOM 685 CB VAL A 84 14.594 43.118 31.900 1.00 0.00 ATOM 686 CG1 VAL A 84 13.647 42.035 32.448 1.00 0.00 ATOM 687 CG2 VAL A 84 13.788 44.253 31.282 1.00 0.00 ATOM 688 O VAL A 84 14.542 43.554 35.141 1.00 0.00 ATOM 689 C VAL A 84 14.816 44.247 34.160 1.00 0.00 ATOM 690 N ASN A 85 14.440 45.502 34.003 1.00 0.00 ATOM 691 CA ASN A 85 13.596 46.200 34.980 1.00 0.00 ATOM 692 CB ASN A 85 14.360 47.306 35.684 1.00 0.00 ATOM 693 CG ASN A 85 15.536 46.817 36.483 1.00 0.00 ATOM 694 ND2 ASN A 85 16.709 47.218 36.067 1.00 0.00 ATOM 695 OD1 ASN A 85 15.376 46.144 37.509 1.00 0.00 ATOM 696 O ASN A 85 12.269 46.978 33.140 1.00 0.00 ATOM 697 C ASN A 85 12.334 46.793 34.349 1.00 0.00 ATOM 698 N GLU A 86 11.304 46.910 35.182 1.00 0.00 ATOM 699 CA GLU A 86 9.994 47.490 34.859 1.00 0.00 ATOM 700 CB GLU A 86 10.119 49.024 35.468 1.00 0.00 ATOM 701 CG GLU A 86 10.999 49.169 36.701 1.00 0.00 ATOM 702 CD GLU A 86 11.061 50.587 37.209 1.00 0.00 ATOM 703 OE1 GLU A 86 11.096 51.528 36.396 1.00 0.00 ATOM 704 OE2 GLU A 86 11.108 50.782 38.434 1.00 0.00 ATOM 705 O GLU A 86 9.577 47.162 32.508 1.00 0.00 ATOM 706 C GLU A 86 9.490 46.703 33.659 1.00 0.00 ATOM 707 N PRO A 87 8.984 45.405 33.837 1.00 0.00 ATOM 708 CA PRO A 87 8.431 44.636 32.729 1.00 0.00 ATOM 709 CB PRO A 87 7.535 43.617 33.400 1.00 0.00 ATOM 710 CG PRO A 87 7.108 44.306 34.654 1.00 0.00 ATOM 711 CD PRO A 87 8.373 44.964 35.127 1.00 0.00 ATOM 712 O PRO A 87 7.360 45.172 30.651 1.00 0.00 ATOM 713 C PRO A 87 7.573 45.509 31.817 1.00 0.00 ATOM 714 N SER A 88 7.042 46.643 32.420 1.00 0.00 ATOM 715 CA SER A 88 6.168 47.522 31.657 1.00 0.00 ATOM 716 CB SER A 88 6.323 48.889 32.346 1.00 0.00 ATOM 717 OG SER A 88 5.445 49.849 31.725 1.00 0.00 ATOM 718 O SER A 88 6.756 46.653 29.456 1.00 0.00 ATOM 719 C SER A 88 6.574 47.658 30.203 1.00 0.00 ATOM 720 N GLU A 89 6.719 48.820 29.597 1.00 0.00 ATOM 721 CA GLU A 89 6.927 49.026 28.172 1.00 0.00 ATOM 722 CB GLU A 89 6.747 50.507 27.830 1.00 0.00 ATOM 723 CG GLU A 89 5.298 50.973 27.796 1.00 0.00 ATOM 724 CD GLU A 89 5.207 52.453 27.547 1.00 0.00 ATOM 725 OE1 GLU A 89 6.230 53.089 27.475 1.00 0.00 ATOM 726 OE2 GLU A 89 4.120 52.930 27.317 1.00 0.00 ATOM 727 O GLU A 89 8.563 48.157 26.685 1.00 0.00 ATOM 728 C GLU A 89 8.336 48.592 27.811 1.00 0.00 ATOM 729 N LEU A 90 9.259 48.652 28.768 1.00 0.00 ATOM 730 CA LEU A 90 10.635 48.160 28.565 1.00 0.00 ATOM 731 CB LEU A 90 11.470 48.376 29.835 1.00 0.00 ATOM 732 CG LEU A 90 11.820 49.836 30.143 1.00 0.00 ATOM 733 CD1 LEU A 90 12.462 49.938 31.520 1.00 0.00 ATOM 734 CD2 LEU A 90 12.755 50.373 29.071 1.00 0.00 ATOM 735 O LEU A 90 11.044 46.307 27.075 1.00 0.00 ATOM 736 C LEU A 90 10.646 46.685 28.169 1.00 0.00 ATOM 737 N ASN A 91 9.989 45.822 29.073 1.00 0.00 ATOM 738 CA ASN A 91 9.844 44.394 28.773 1.00 0.00 ATOM 739 CB ASN A 91 9.274 43.633 29.956 1.00 0.00 ATOM 740 CG ASN A 91 9.128 42.157 29.715 1.00 0.00 ATOM 741 ND2 ASN A 91 10.241 41.467 29.756 1.00 0.00 ATOM 742 OD1 ASN A 91 8.017 41.637 29.565 1.00 0.00 ATOM 743 O ASN A 91 9.216 43.257 26.689 1.00 0.00 ATOM 744 C ASN A 91 8.979 44.175 27.483 1.00 0.00 ATOM 745 N GLN A 92 7.925 44.975 27.351 1.00 0.00 ATOM 746 CA GLN A 92 7.056 44.856 26.177 1.00 0.00 ATOM 747 CB GLN A 92 5.914 45.831 26.223 1.00 0.00 ATOM 748 CG GLN A 92 4.662 45.277 26.901 1.00 0.00 ATOM 749 CD GLN A 92 3.708 46.370 27.377 1.00 0.00 ATOM 750 OE1 GLN A 92 3.893 46.952 28.450 1.00 0.00 ATOM 751 NE2 GLN A 92 2.682 46.648 26.578 1.00 0.00 ATOM 752 O GLN A 92 7.725 44.371 23.923 1.00 0.00 ATOM 753 C GLN A 92 7.901 45.058 24.926 1.00 0.00 ATOM 754 N GLU A 93 8.832 46.028 24.969 1.00 0.00 ATOM 755 CA GLU A 93 9.691 46.284 23.827 1.00 0.00 ATOM 756 CB GLU A 93 10.474 47.573 24.083 1.00 0.00 ATOM 757 CG GLU A 93 9.635 48.842 24.017 1.00 0.00 ATOM 758 CD GLU A 93 10.443 50.051 24.399 1.00 0.00 ATOM 759 OE1 GLU A 93 11.581 49.891 24.765 1.00 0.00 ATOM 760 OE2 GLU A 93 9.959 51.144 24.216 1.00 0.00 ATOM 761 O GLU A 93 10.964 44.792 22.468 1.00 0.00 ATOM 762 C GLU A 93 10.637 45.116 23.613 1.00 0.00 ATOM 763 N GLU A 94 11.111 44.489 24.721 1.00 0.00 ATOM 764 CA GLU A 94 12.046 43.373 24.647 1.00 0.00 ATOM 765 CB GLU A 94 12.497 42.988 26.057 1.00 0.00 ATOM 766 CG GLU A 94 13.540 41.880 26.102 1.00 0.00 ATOM 767 CD GLU A 94 13.683 41.319 27.489 1.00 0.00 ATOM 768 OE1 GLU A 94 13.968 42.073 28.389 1.00 0.00 ATOM 769 OE2 GLU A 94 13.394 40.159 27.671 1.00 0.00 ATOM 770 O GLU A 94 11.918 41.634 22.994 1.00 0.00 ATOM 771 C GLU A 94 11.352 42.224 23.925 1.00 0.00 ATOM 772 N VAL A 95 10.137 41.913 24.319 1.00 0.00 ATOM 773 CA VAL A 95 9.439 40.777 23.734 1.00 0.00 ATOM 774 CB VAL A 95 8.258 40.367 24.619 1.00 0.00 ATOM 775 CG1 VAL A 95 7.295 39.462 23.868 1.00 0.00 ATOM 776 CG2 VAL A 95 8.754 39.745 25.906 1.00 0.00 ATOM 777 O VAL A 95 9.080 40.261 21.459 1.00 0.00 ATOM 778 C VAL A 95 9.001 41.109 22.326 1.00 0.00 ATOM 779 N GLU A 96 8.444 42.342 21.985 1.00 0.00 ATOM 780 CA GLU A 96 7.934 42.672 20.662 1.00 0.00 ATOM 781 CB GLU A 96 6.798 43.780 20.880 1.00 0.00 ATOM 782 CG GLU A 96 6.074 44.127 19.599 1.00 0.00 ATOM 783 CD GLU A 96 5.540 42.885 18.882 1.00 0.00 ATOM 784 OE1 GLU A 96 5.589 42.855 17.627 1.00 0.00 ATOM 785 OE2 GLU A 96 5.075 41.945 19.574 1.00 0.00 ATOM 786 O GLU A 96 8.806 42.841 18.431 1.00 0.00 ATOM 787 C GLU A 96 9.004 43.059 19.626 1.00 0.00 ATOM 788 N THR A 97 9.994 43.735 20.105 1.00 0.00 ATOM 789 CA THR A 97 11.009 44.323 19.278 1.00 0.00 ATOM 790 CB THR A 97 11.389 45.723 19.698 1.00 0.00 ATOM 791 CG2 THR A 97 12.369 46.336 18.698 1.00 0.00 ATOM 792 OG1 THR A 97 10.196 46.520 19.725 1.00 0.00 ATOM 793 O THR A 97 12.900 43.168 18.344 1.00 0.00 ATOM 794 C THR A 97 12.393 43.675 19.346 1.00 0.00 ATOM 795 N LEU A 98 12.992 43.634 20.507 1.00 0.00 ATOM 796 CA LEU A 98 14.321 43.058 20.667 1.00 0.00 ATOM 797 CB LEU A 98 14.804 43.197 22.129 1.00 0.00 ATOM 798 CG LEU A 98 16.283 42.846 22.351 1.00 0.00 ATOM 799 CD1 LEU A 98 17.125 43.755 21.466 1.00 0.00 ATOM 800 CD2 LEU A 98 16.674 43.010 23.832 1.00 0.00 ATOM 801 O LEU A 98 15.250 41.117 19.613 1.00 0.00 ATOM 802 C LEU A 98 14.404 41.560 20.389 1.00 0.00 ATOM 803 N ALA A 99 13.500 40.769 20.942 1.00 0.00 ATOM 804 CA ALA A 99 13.510 39.320 20.714 1.00 0.00 ATOM 805 CB ALA A 99 12.440 38.717 21.631 1.00 0.00 ATOM 806 O ALA A 99 13.911 38.084 18.709 1.00 0.00 ATOM 807 C ALA A 99 13.260 38.975 19.259 1.00 0.00 ATOM 808 N ARG A 100 12.254 39.590 18.550 1.00 0.00 ATOM 809 CA ARG A 100 11.952 39.268 17.157 1.00 0.00 ATOM 810 CB ARG A 100 10.764 40.122 16.735 1.00 0.00 ATOM 811 CG ARG A 100 10.322 39.936 15.293 1.00 0.00 ATOM 812 CD ARG A 100 9.201 40.818 14.877 1.00 0.00 ATOM 813 NE ARG A 100 9.516 42.237 14.888 1.00 0.00 ATOM 814 CZ ARG A 100 10.230 42.870 13.935 1.00 0.00 ATOM 815 NH1 ARG A 100 10.736 42.209 12.917 1.00 0.00 ATOM 816 NH2 ARG A 100 10.429 44.169 14.064 1.00 0.00 ATOM 817 O ARG A 100 13.513 38.731 15.457 1.00 0.00 ATOM 818 C ARG A 100 13.194 39.562 16.327 1.00 0.00 ATOM 819 N PRO A 101 13.876 40.701 16.512 1.00 0.00 ATOM 820 CA PRO A 101 15.144 40.944 15.799 1.00 0.00 ATOM 821 CB PRO A 101 15.661 42.215 16.493 1.00 0.00 ATOM 822 CG PRO A 101 14.398 42.986 16.739 1.00 0.00 ATOM 823 CD PRO A 101 13.387 41.931 17.155 1.00 0.00 ATOM 824 O PRO A 101 16.898 39.496 15.017 1.00 0.00 ATOM 825 C PRO A 101 16.178 39.853 15.968 1.00 0.00 ATOM 826 N CYS A 102 16.259 39.298 17.159 1.00 0.00 ATOM 827 CA CYS A 102 17.157 38.182 17.373 1.00 0.00 ATOM 828 CB CYS A 102 17.288 37.860 18.954 1.00 0.00 ATOM 829 SG CYS A 102 18.481 36.499 19.226 1.00 0.00 ATOM 830 O CYS A 102 17.579 36.459 15.754 1.00 0.00 ATOM 831 C CYS A 102 16.749 36.991 16.498 1.00 0.00 ATOM 832 N LEU A 103 15.448 36.761 16.403 1.00 0.00 ATOM 833 CA LEU A 103 14.895 35.642 15.606 1.00 0.00 ATOM 834 CB LEU A 103 13.442 35.369 16.013 1.00 0.00 ATOM 835 CG LEU A 103 13.263 34.667 17.366 1.00 0.00 ATOM 836 CD1 LEU A 103 11.785 34.577 17.715 1.00 0.00 ATOM 837 CD2 LEU A 103 13.891 33.282 17.308 1.00 0.00 ATOM 838 O LEU A 103 15.006 34.827 13.350 1.00 0.00 ATOM 839 C LEU A 103 14.924 35.813 14.080 1.00 0.00 ATOM 840 N ASN A 104 14.823 37.057 13.609 1.00 0.00 ATOM 841 CA ASN A 104 14.723 37.338 12.164 1.00 0.00 ATOM 842 CB ASN A 104 14.475 38.812 11.901 1.00 0.00 ATOM 843 CG ASN A 104 14.361 39.156 10.442 1.00 0.00 ATOM 844 ND2 ASN A 104 13.221 38.848 9.877 1.00 0.00 ATOM 845 OD1 ASN A 104 15.264 39.759 9.852 1.00 0.00 ATOM 846 O ASN A 104 15.890 36.340 10.317 1.00 0.00 ATOM 847 C ASN A 104 15.972 36.865 11.430 1.00 0.00 ATOM 848 N MET A 105 17.161 37.078 12.029 1.00 0.00 ATOM 849 CA MET A 105 18.413 36.660 11.416 1.00 0.00 ATOM 850 CB MET A 105 19.598 36.828 12.291 1.00 0.00 ATOM 851 CG MET A 105 20.094 38.269 12.312 1.00 0.00 ATOM 852 SD MET A 105 21.602 38.491 13.277 1.00 0.00 ATOM 853 CE MET A 105 20.953 39.198 14.779 1.00 0.00 ATOM 854 O MET A 105 18.935 34.665 10.192 1.00 0.00 ATOM 855 C MET A 105 18.460 35.139 11.217 1.00 0.00 ATOM 856 N LEU A 106 17.906 34.439 12.198 1.00 0.00 ATOM 857 CA LEU A 106 17.835 32.965 12.189 1.00 0.00 ATOM 858 CB LEU A 106 17.239 32.453 13.507 1.00 0.00 ATOM 859 CG LEU A 106 18.136 32.629 14.738 1.00 0.00 ATOM 860 CD1 LEU A 106 17.367 32.261 16.001 1.00 0.00 ATOM 861 CD2 LEU A 106 19.379 31.762 14.592 1.00 0.00 ATOM 862 O LEU A 106 17.398 31.539 10.317 1.00 0.00 ATOM 863 C LEU A 106 16.989 32.450 11.033 1.00 0.00 ATOM 864 N ASN A 107 15.797 33.025 10.804 1.00 0.00 ATOM 865 CA ASN A 107 14.929 32.599 9.718 1.00 0.00 ATOM 866 CB ASN A 107 13.581 33.290 9.823 1.00 0.00 ATOM 867 CG ASN A 107 12.695 32.730 10.901 1.00 0.00 ATOM 868 ND2 ASN A 107 12.584 33.464 11.979 1.00 0.00 ATOM 869 OD1 ASN A 107 12.063 31.681 10.731 1.00 0.00 ATOM 870 O ASN A 107 15.387 32.018 7.446 1.00 0.00 ATOM 871 C ASN A 107 15.503 32.863 8.337 1.00 0.00 ATOM 872 N ARG A 108 16.144 34.023 8.161 1.00 0.00 ATOM 873 CA ARG A 108 16.748 34.346 6.874 1.00 0.00 ATOM 874 CB ARG A 108 17.391 35.704 6.886 1.00 0.00 ATOM 875 CG ARG A 108 17.966 36.120 5.549 1.00 0.00 ATOM 876 CD ARG A 108 19.339 36.737 5.717 1.00 0.00 ATOM 877 NE ARG A 108 19.348 37.819 6.699 1.00 0.00 ATOM 878 CZ ARG A 108 20.451 38.437 7.106 1.00 0.00 ATOM 879 NH1 ARG A 108 21.630 38.080 6.612 1.00 0.00 ATOM 880 NH2 ARG A 108 20.380 39.406 8.007 1.00 0.00 ATOM 881 O ARG A 108 17.847 32.756 5.447 1.00 0.00 ATOM 882 C ARG A 108 17.836 33.322 6.543 1.00 0.00 ATOM 883 N LEU A 109 18.719 33.025 7.486 1.00 0.00 ATOM 884 CA LEU A 109 19.802 32.062 7.246 1.00 0.00 ATOM 885 CB LEU A 109 20.762 32.075 8.441 1.00 0.00 ATOM 886 CG LEU A 109 21.607 33.346 8.586 1.00 0.00 ATOM 887 CD1 LEU A 109 22.376 33.314 9.900 1.00 0.00 ATOM 888 CD2 LEU A 109 22.559 33.462 7.407 1.00 0.00 ATOM 889 O LEU A 109 19.754 29.915 6.086 1.00 0.00 ATOM 890 C LEU A 109 19.279 30.615 6.981 1.00 0.00 ATOM 891 N THR A 110 18.288 30.207 7.799 1.00 0.00 ATOM 892 CA THR A 110 17.682 28.906 7.658 1.00 0.00 ATOM 893 CB THR A 110 16.601 28.659 8.725 1.00 0.00 ATOM 894 CG2 THR A 110 15.963 27.291 8.533 1.00 0.00 ATOM 895 OG1 THR A 110 17.189 28.730 10.031 1.00 0.00 ATOM 896 O THR A 110 17.203 27.708 5.638 1.00 0.00 ATOM 897 C THR A 110 17.023 28.733 6.291 1.00 0.00 ATOM 898 N TYR A 111 16.279 29.717 5.859 1.00 0.00 ATOM 899 CA TYR A 111 15.632 29.649 4.557 1.00 0.00 ATOM 900 CB TYR A 111 14.678 30.834 4.403 1.00 0.00 ATOM 901 CG TYR A 111 13.990 30.793 3.042 1.00 0.00 ATOM 902 CD1 TYR A 111 12.906 29.964 2.823 1.00 0.00 ATOM 903 CD2 TYR A 111 14.450 31.606 2.019 1.00 0.00 ATOM 904 CE1 TYR A 111 12.281 29.971 1.577 1.00 0.00 ATOM 905 CE2 TYR A 111 13.821 31.627 0.774 1.00 0.00 ATOM 906 CZ TYR A 111 12.739 30.790 0.562 1.00 0.00 ATOM 907 OH TYR A 111 12.216 30.661 -0.681 1.00 0.00 ATOM 908 O TYR A 111 16.574 28.948 2.459 1.00 0.00 ATOM 909 C TYR A 111 16.693 29.667 3.454 1.00 0.00 ATOM 910 N GLU A 112 17.714 30.505 3.640 1.00 0.00 ATOM 911 CA GLU A 112 18.783 30.600 2.642 1.00 0.00 ATOM 912 CB GLU A 112 19.753 31.712 3.046 1.00 0.00 ATOM 913 CG GLU A 112 20.895 31.937 2.064 1.00 0.00 ATOM 914 CD GLU A 112 21.764 33.086 2.491 1.00 0.00 ATOM 915 OE1 GLU A 112 21.472 33.686 3.498 1.00 0.00 ATOM 916 OE2 GLU A 112 22.783 33.296 1.876 1.00 0.00 ATOM 917 O GLU A 112 19.911 28.873 1.403 1.00 0.00 ATOM 918 C GLU A 112 19.535 29.273 2.497 1.00 0.00 ATOM 919 N VAL A 113 19.726 28.575 3.625 1.00 0.00 ATOM 920 CA VAL A 113 20.373 27.247 3.618 1.00 0.00 ATOM 921 CB VAL A 113 20.560 26.701 5.046 1.00 0.00 ATOM 922 CG1 VAL A 113 21.054 25.264 5.008 1.00 0.00 ATOM 923 CG2 VAL A 113 21.530 27.575 5.829 1.00 0.00 ATOM 924 O VAL A 113 20.047 25.514 1.975 1.00 0.00 ATOM 925 C VAL A 113 19.525 26.281 2.788 1.00 0.00 ATOM 926 N THR A 114 18.207 26.360 2.948 1.00 0.00 ATOM 927 CA THR A 114 17.280 25.515 2.206 1.00 0.00 ATOM 928 CB THR A 114 15.851 25.708 2.693 1.00 0.00 ATOM 929 CG2 THR A 114 14.892 24.809 1.929 1.00 0.00 ATOM 930 OG1 THR A 114 15.792 25.372 4.084 1.00 0.00 ATOM 931 O THR A 114 17.413 24.873 -0.107 1.00 0.00 ATOM 932 C THR A 114 17.374 25.796 0.713 1.00 0.00 ATOM 933 N GLU A 115 17.421 27.086 0.336 1.00 0.00 ATOM 934 CA GLU A 115 17.506 27.479 -1.061 1.00 0.00 ATOM 935 CB GLU A 115 17.384 28.999 -1.115 1.00 0.00 ATOM 936 CG GLU A 115 17.557 29.529 -2.535 1.00 0.00 ATOM 937 CD GLU A 115 17.380 31.034 -2.664 1.00 0.00 ATOM 938 OE1 GLU A 115 17.490 31.476 -3.821 1.00 0.00 ATOM 939 OE2 GLU A 115 17.377 31.704 -1.608 1.00 0.00 ATOM 940 O GLU A 115 18.787 26.563 -2.871 1.00 0.00 ATOM 941 C GLU A 115 18.810 27.038 -1.729 1.00 0.00 ATOM 942 N ILE A 116 19.921 27.197 -1.011 1.00 0.00 ATOM 943 CA ILE A 116 21.231 26.736 -1.531 1.00 0.00 ATOM 944 CB ILE A 116 22.373 27.059 -0.551 1.00 0.00 ATOM 945 CG1 ILE A 116 22.587 28.573 -0.461 1.00 0.00 ATOM 946 CG2 ILE A 116 23.656 26.362 -0.980 1.00 0.00 ATOM 947 CD1 ILE A 116 23.499 28.995 0.669 1.00 0.00 ATOM 948 O ILE A 116 21.555 24.736 -2.832 1.00 0.00 ATOM 949 C ILE A 116 21.162 25.224 -1.773 1.00 0.00 ATOM 950 N ALA A 117 20.637 24.503 -0.781 1.00 0.00 ATOM 951 CA ALA A 117 20.516 23.054 -0.905 1.00 0.00 ATOM 952 CB ALA A 117 19.895 22.505 0.382 1.00 0.00 ATOM 953 O ALA A 117 20.092 21.922 -2.981 1.00 0.00 ATOM 954 C ALA A 117 19.668 22.682 -2.126 1.00 0.00 ATOM 955 N LEU A 118 18.555 23.379 -2.290 1.00 0.00 ATOM 956 CA LEU A 118 17.662 23.137 -3.439 1.00 0.00 ATOM 957 CB LEU A 118 16.279 23.748 -3.176 1.00 0.00 ATOM 958 CG LEU A 118 15.488 23.103 -2.030 1.00 0.00 ATOM 959 CD1 LEU A 118 14.192 23.868 -1.796 1.00 0.00 ATOM 960 CD2 LEU A 118 15.202 21.647 -2.365 1.00 0.00 ATOM 961 O LEU A 118 17.535 23.376 -5.801 1.00 0.00 ATOM 962 C LEU A 118 18.157 23.667 -4.777 1.00 0.00 ATOM 963 N ASP A 119 19.206 24.500 -4.761 1.00 0.00 ATOM 964 CA ASP A 119 19.806 25.084 -5.968 1.00 0.00 ATOM 965 CB ASP A 119 20.480 23.981 -6.820 1.00 0.00 ATOM 966 CG ASP A 119 21.360 24.464 -7.946 1.00 0.00 ATOM 967 OD1 ASP A 119 22.018 25.526 -7.798 1.00 0.00 ATOM 968 OD2 ASP A 119 21.384 23.769 -9.010 1.00 0.00 ATOM 969 O ASP A 119 18.654 25.809 -8.014 1.00 0.00 ATOM 970 C ASP A 119 18.782 25.933 -6.785 1.00 0.00 ATOM 971 N LEU A 120 18.074 26.775 -6.079 1.00 0.00 ATOM 972 CA LEU A 120 16.973 27.561 -6.681 1.00 0.00 ATOM 973 CB LEU A 120 16.220 28.345 -5.600 1.00 0.00 ATOM 974 CG LEU A 120 14.773 27.898 -5.357 1.00 0.00 ATOM 975 CD1 LEU A 120 14.682 26.379 -5.403 1.00 0.00 ATOM 976 CD2 LEU A 120 14.297 28.426 -4.012 1.00 0.00 ATOM 977 O LEU A 120 16.778 28.854 -8.695 1.00 0.00 ATOM 978 C LEU A 120 17.505 28.583 -7.725 1.00 0.00 ATOM 979 N PRO A 121 18.734 29.084 -7.626 1.00 0.00 ATOM 980 CA PRO A 121 19.308 30.072 -8.564 1.00 0.00 ATOM 981 CB PRO A 121 20.751 30.283 -8.112 1.00 0.00 ATOM 982 CG PRO A 121 20.620 30.120 -6.606 1.00 0.00 ATOM 983 CD PRO A 121 19.704 28.916 -6.521 1.00 0.00 ATOM 984 O PRO A 121 18.832 30.194 -10.879 1.00 0.00 ATOM 985 C PRO A 121 19.339 29.521 -9.996 1.00 0.00 ATOM 986 N GLY A 122 19.881 28.308 -10.234 1.00 0.00 ATOM 987 CA GLY A 122 19.917 27.716 -11.557 1.00 0.00 ATOM 988 O GLY A 122 18.411 27.271 -13.354 1.00 0.00 ATOM 989 C GLY A 122 18.550 27.416 -12.141 1.00 0.00 ATOM 990 N ILE A 123 17.513 27.242 -11.231 1.00 0.00 ATOM 991 CA ILE A 123 16.185 26.961 -11.741 1.00 0.00 ATOM 992 CB ILE A 123 15.680 26.045 -10.591 1.00 0.00 ATOM 993 CG1 ILE A 123 14.971 24.744 -11.017 1.00 0.00 ATOM 994 CG2 ILE A 123 14.793 26.779 -9.600 1.00 0.00 ATOM 995 CD1 ILE A 123 15.922 23.619 -11.391 1.00 0.00 ATOM 996 O ILE A 123 14.178 28.170 -12.247 1.00 0.00 ATOM 997 C ILE A 123 15.381 28.258 -12.016 1.00 0.00 ATOM 998 N ASN A 124 16.035 29.431 -11.957 1.00 0.00 ATOM 999 CA ASN A 124 15.453 30.782 -12.158 1.00 0.00 ATOM 1000 CB ASN A 124 14.881 30.716 -13.722 1.00 0.00 ATOM 1001 CG ASN A 124 15.605 29.847 -14.692 1.00 0.00 ATOM 1002 ND2 ASN A 124 14.843 29.118 -15.513 1.00 0.00 ATOM 1003 OD1 ASN A 124 16.824 29.819 -14.723 1.00 0.00 ATOM 1004 O ASN A 124 13.642 32.067 -11.165 1.00 0.00 ATOM 1005 C ASN A 124 14.604 31.327 -10.998 1.00 0.00 ATOM 1006 N LEU A 125 14.956 30.913 -9.795 1.00 0.00 ATOM 1007 CA LEU A 125 14.233 31.370 -8.600 1.00 0.00 ATOM 1008 CB LEU A 125 13.372 30.220 -8.036 1.00 0.00 ATOM 1009 CG LEU A 125 12.558 30.466 -6.765 1.00 0.00 ATOM 1010 CD1 LEU A 125 11.445 31.489 -7.038 1.00 0.00 ATOM 1011 CD2 LEU A 125 11.917 29.132 -6.400 1.00 0.00 ATOM 1012 O LEU A 125 15.873 31.437 -6.861 1.00 0.00 ATOM 1013 C LEU A 125 15.223 32.068 -7.677 1.00 0.00 ATOM 1014 N GLU A 126 15.483 33.315 -8.015 1.00 0.00 ATOM 1015 CA GLU A 126 16.443 34.089 -7.221 1.00 0.00 ATOM 1016 CB GLU A 126 16.958 35.287 -8.019 1.00 0.00 ATOM 1017 CG GLU A 126 17.824 34.919 -9.217 1.00 0.00 ATOM 1018 CD GLU A 126 18.207 36.138 -10.009 1.00 0.00 ATOM 1019 OE1 GLU A 126 17.786 37.212 -9.653 1.00 0.00 ATOM 1020 OE2 GLU A 126 19.010 36.012 -10.904 1.00 0.00 ATOM 1021 O GLU A 126 16.637 35.187 -5.092 1.00 0.00 ATOM 1022 C GLU A 126 15.900 34.607 -5.881 1.00 0.00 ATOM 1023 N PHE A 127 14.607 34.392 -5.719 1.00 0.00 ATOM 1024 CA PHE A 127 13.908 34.701 -4.471 1.00 0.00 ATOM 1025 CB PHE A 127 12.681 35.526 -4.821 1.00 0.00 ATOM 1026 CG PHE A 127 13.000 36.907 -5.393 1.00 0.00 ATOM 1027 CD1 PHE A 127 13.484 37.927 -4.593 1.00 0.00 ATOM 1028 CD2 PHE A 127 12.838 37.113 -6.748 1.00 0.00 ATOM 1029 CE1 PHE A 127 13.831 39.141 -5.158 1.00 0.00 ATOM 1030 CE2 PHE A 127 13.180 38.311 -7.329 1.00 0.00 ATOM 1031 CZ PHE A 127 13.688 39.326 -6.531 1.00 0.00 ATOM 1032 O PHE A 127 13.626 32.298 -4.249 1.00 0.00 ATOM 1033 C PHE A 127 13.537 33.420 -3.698 1.00 0.00 ENDMDL EXPDTA 2hngA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hngA ATOM 1 C ALA 3 20.887 43.373 23.054 1.00 0.00 ATOM 2 N MET A 4 20.077 42.652 22.570 1.00 0.00 ATOM 3 CA MET A 4 19.002 41.876 23.137 1.00 0.00 ATOM 4 CB MET A 4 18.101 41.342 22.033 1.00 0.00 ATOM 5 CG MET A 4 17.401 42.419 21.257 1.00 0.00 ATOM 6 SD MET A 4 15.941 41.615 20.290 1.00 0.00 ATOM 7 CE MET A 4 14.454 41.904 21.562 1.00 0.00 ATOM 8 O MET A 4 20.563 40.097 23.439 1.00 0.00 ATOM 9 C MET A 4 19.598 40.715 23.893 1.00 0.00 ATOM 10 N ASN A 5 19.031 40.414 25.050 1.00 0.00 ATOM 11 CA ASN A 5 19.487 39.240 25.764 1.00 0.00 ATOM 12 CB ASN A 5 19.478 39.484 27.270 1.00 0.00 ATOM 13 CG ASN A 5 20.153 38.359 28.044 1.00 0.00 ATOM 14 ND2 ASN A 5 20.759 38.718 29.180 1.00 0.00 ATOM 15 OD1 ASN A 5 20.107 37.181 27.654 1.00 0.00 ATOM 16 O ASN A 5 17.474 37.991 26.089 1.00 0.00 ATOM 17 C ASN A 5 18.534 38.123 25.436 1.00 0.00 ATOM 18 N LEU A 6 18.878 37.358 24.398 1.00 0.00 ATOM 19 CA LEU A 6 18.033 36.265 23.943 1.00 0.00 ATOM 20 CB LEU A 6 17.897 36.310 22.418 1.00 0.00 ATOM 21 CG LEU A 6 17.264 37.569 21.829 1.00 0.00 ATOM 22 CD1 LEU A 6 17.144 37.396 20.339 1.00 0.00 ATOM 23 CD2 LEU A 6 15.856 37.823 22.424 1.00 0.00 ATOM 24 O LEU A 6 19.805 34.677 24.246 1.00 0.00 ATOM 25 C LEU A 6 18.596 34.905 24.333 1.00 0.00 ATOM 26 N LYS A 7 17.700 34.029 24.772 1.00 0.00 ATOM 27 CA LYS A 7 17.965 32.576 24.835 1.00 0.00 ATOM 28 CB LYS A 7 17.493 31.961 26.158 1.00 0.00 ATOM 29 CG LYS A 7 18.480 32.071 27.286 1.00 0.00 ATOM 30 CD LYS A 7 18.505 33.475 27.844 1.00 0.00 ATOM 31 CE LYS A 7 19.477 33.515 29.029 1.00 0.00 ATOM 32 NZ LYS A 7 19.792 34.913 29.424 1.00 0.00 ATOM 33 O LYS A 7 15.903 32.083 23.788 1.00 0.00 ATOM 34 C LYS A 7 17.128 31.924 23.764 1.00 0.00 ATOM 35 N ARG A 8 17.763 31.169 22.866 1.00 0.00 ATOM 36 CA ARG A 8 17.048 30.611 21.719 1.00 0.00 ATOM 37 CB ARG A 8 17.762 31.025 20.424 1.00 0.00 ATOM 38 CG ARG A 8 17.917 32.532 20.300 1.00 0.00 ATOM 39 CD ARG A 8 18.196 32.816 18.883 1.00 0.00 ATOM 40 NE ARG A 8 18.816 34.097 18.541 1.00 0.00 ATOM 41 CZ ARG A 8 18.195 35.044 17.836 1.00 0.00 ATOM 42 NH1 ARG A 8 16.895 34.912 17.569 1.00 0.00 ATOM 43 NH2 ARG A 8 18.841 36.119 17.414 1.00 0.00 ATOM 44 O ARG A 8 17.980 28.430 22.093 1.00 0.00 ATOM 45 C ARG A 8 16.981 29.100 21.770 1.00 0.00 ATOM 46 N GLU A 9 15.825 28.557 21.424 1.00 0.00 ATOM 47 CA GLU A 9 15.698 27.120 21.213 1.00 0.00 ATOM 48 CB GLU A 9 14.298 26.669 21.640 1.00 0.00 ATOM 49 CG GLU A 9 13.871 27.306 22.976 1.00 0.00 ATOM 50 CD GLU A 9 12.841 26.507 23.737 1.00 0.00 ATOM 51 OE1 GLU A 9 12.342 25.505 23.199 1.00 0.00 ATOM 52 OE2 GLU A 9 12.529 26.895 24.891 1.00 0.00 ATOM 53 O GLU A 9 16.148 27.685 18.913 1.00 0.00 ATOM 54 C GLU A 9 15.965 26.785 19.742 1.00 0.00 ATOM 55 N GLN A 10 16.015 25.496 19.413 1.00 0.00 ATOM 56 CA GLN A 10 16.338 25.069 18.049 1.00 0.00 ATOM 57 CB GLN A 10 16.368 23.560 17.975 1.00 0.00 ATOM 58 CG GLN A 10 16.874 23.096 16.651 1.00 0.00 ATOM 59 CD GLN A 10 18.167 22.365 16.834 1.00 0.00 ATOM 60 OE1 GLN A 10 18.171 21.214 17.319 1.00 0.00 ATOM 61 NE2 GLN A 10 19.286 23.026 16.509 1.00 0.00 ATOM 62 O GLN A 10 14.097 25.286 17.224 1.00 0.00 ATOM 63 C GLN A 10 15.298 25.536 17.045 1.00 0.00 ATOM 64 N GLU A 11 15.754 26.180 15.989 1.00 0.00 ATOM 65 CA GLU A 11 14.819 26.564 14.922 1.00 0.00 ATOM 66 CB GLU A 11 15.424 27.599 13.953 1.00 0.00 ATOM 67 CG GLU A 11 16.719 27.268 13.287 1.00 0.00 ATOM 68 CD GLU A 11 17.984 27.437 14.117 1.00 0.00 ATOM 69 OE1 GLU A 11 18.061 26.939 15.248 1.00 0.00 ATOM 70 OE2 GLU A 11 18.953 28.010 13.592 1.00 0.00 ATOM 71 O GLU A 11 14.819 24.233 14.259 1.00 0.00 ATOM 72 C GLU A 11 14.186 25.302 14.305 1.00 0.00 ATOM 73 N PHE A 12 12.936 25.438 13.844 1.00 0.00 ATOM 74 CA PHE A 12 12.042 24.330 13.468 1.00 0.00 ATOM 75 CB PHE A 12 10.984 24.179 14.574 1.00 0.00 ATOM 76 CG PHE A 12 9.996 23.053 14.360 1.00 0.00 ATOM 77 CD1 PHE A 12 10.390 21.717 14.463 1.00 0.00 ATOM 78 CD2 PHE A 12 8.667 23.336 14.105 1.00 0.00 ATOM 79 CE1 PHE A 12 9.477 20.673 14.275 1.00 0.00 ATOM 80 CE2 PHE A 12 7.741 22.287 13.918 1.00 0.00 ATOM 81 CZ PHE A 12 8.145 20.966 14.012 1.00 0.00 ATOM 82 O PHE A 12 10.770 25.681 11.948 1.00 0.00 ATOM 83 C PHE A 12 11.359 24.608 12.117 1.00 0.00 ATOM 84 N VAL A 13 11.455 23.665 11.165 1.00 0.00 ATOM 85 CA VAL A 13 10.729 23.781 9.904 1.00 0.00 ATOM 86 CB VAL A 13 11.538 23.146 8.756 1.00 0.00 ATOM 87 CG1 VAL A 13 10.811 23.329 7.469 1.00 0.00 ATOM 88 CG2 VAL A 13 12.931 23.758 8.700 1.00 0.00 ATOM 89 O VAL A 13 9.394 21.850 10.246 1.00 0.00 ATOM 90 C VAL A 13 9.410 23.070 10.038 1.00 0.00 ATOM 91 N SER A 14 8.316 23.818 9.945 1.00 0.00 ATOM 92 CA SER A 14 6.996 23.192 9.942 1.00 0.00 ATOM 93 CB SER A 14 5.925 24.165 10.431 1.00 0.00 ATOM 94 OG SER A 14 5.950 24.292 11.853 1.00 0.00 ATOM 95 O SER A 14 6.115 21.659 8.297 1.00 0.00 ATOM 96 C SER A 14 6.643 22.756 8.523 1.00 0.00 ATOM 97 N GLN A 15 6.991 23.606 7.564 1.00 0.00 ATOM 98 CA GLN A 15 6.628 23.369 6.178 1.00 0.00 ATOM 99 CB GLN A 15 5.237 23.966 5.949 1.00 0.00 ATOM 100 CG GLN A 15 4.644 23.805 4.575 1.00 0.00 ATOM 101 CD GLN A 15 3.291 24.536 4.421 1.00 0.00 ATOM 102 OE1 GLN A 15 3.049 25.220 3.412 1.00 0.00 ATOM 103 NE2 GLN A 15 2.404 24.388 5.429 1.00 0.00 ATOM 104 O GLN A 15 7.936 25.235 5.458 1.00 0.00 ATOM 105 C GLN A 15 7.649 24.049 5.276 1.00 0.00 ATOM 106 N TYR A 16 8.212 23.299 4.326 1.00 0.00 ATOM 107 CA TYR A 16 9.021 23.901 3.286 1.00 0.00 ATOM 108 CB TYR A 16 10.526 23.736 3.572 1.00 0.00 ATOM 109 CG TYR A 16 11.330 24.525 2.550 1.00 0.00 ATOM 110 CD1 TYR A 16 11.615 25.882 2.764 1.00 0.00 ATOM 111 CD2 TYR A 16 11.789 23.908 1.372 1.00 0.00 ATOM 112 CE1 TYR A 16 12.348 26.604 1.803 1.00 0.00 ATOM 113 CE2 TYR A 16 12.488 24.625 0.412 1.00 0.00 ATOM 114 CZ TYR A 16 12.766 25.968 0.644 1.00 0.00 ATOM 115 OH TYR A 16 13.472 26.642 -0.333 1.00 0.00 ATOM 116 O TYR A 16 8.902 22.025 1.819 1.00 0.00 ATOM 117 C TYR A 16 8.656 23.229 1.992 1.00 0.00 ATOM 118 N HIS A 17 8.014 23.992 1.102 1.00 0.00 ATOM 119 CA HIS A 17 7.479 23.435 -0.138 1.00 0.00 ATOM 120 CB HIS A 17 5.979 23.723 -0.225 1.00 0.00 ATOM 121 CG HIS A 17 5.144 22.922 0.731 1.00 0.00 ATOM 122 CD2 HIS A 17 5.488 22.138 1.779 1.00 0.00 ATOM 123 ND1 HIS A 17 3.764 22.878 0.651 1.00 0.00 ATOM 124 CE1 HIS A 17 3.299 22.124 1.638 1.00 0.00 ATOM 125 NE2 HIS A 17 4.324 21.655 2.328 1.00 0.00 ATOM 126 O HIS A 17 8.097 25.372 -1.373 1.00 0.00 ATOM 127 C HIS A 17 8.110 24.140 -1.317 1.00 0.00 ATOM 128 N PHE A 18 8.557 23.347 -2.276 1.00 0.00 ATOM 129 CA PHE A 18 8.929 23.818 -3.611 1.00 0.00 ATOM 130 CB PHE A 18 10.242 23.161 -4.023 1.00 0.00 ATOM 131 CG PHE A 18 10.673 23.436 -5.442 1.00 0.00 ATOM 132 CD1 PHE A 18 11.662 24.405 -5.680 1.00 0.00 ATOM 133 CD2 PHE A 18 10.134 22.743 -6.542 1.00 0.00 ATOM 134 CE1 PHE A 18 12.081 24.672 -6.994 1.00 0.00 ATOM 135 CE2 PHE A 18 10.540 23.020 -7.868 1.00 0.00 ATOM 136 CZ PHE A 18 11.529 23.961 -8.087 1.00 0.00 ATOM 137 O PHE A 18 7.568 22.109 -4.558 1.00 0.00 ATOM 138 C PHE A 18 7.845 23.318 -4.522 1.00 0.00 ATOM 139 N ASP A 19 7.258 24.225 -5.306 1.00 0.00 ATOM 140 CA ASP A 19 6.263 23.805 -6.292 1.00 0.00 ATOM 141 CB ASP A 19 4.852 24.176 -5.823 1.00 0.00 ATOM 142 CG ASP A 19 4.444 23.444 -4.557 1.00 0.00 ATOM 143 OD1 ASP A 19 4.041 22.286 -4.697 1.00 0.00 ATOM 144 OD2 ASP A 19 4.542 24.007 -3.449 1.00 0.00 ATOM 145 O ASP A 19 6.583 25.687 -7.695 1.00 0.00 ATOM 146 C ASP A 19 6.468 24.479 -7.633 1.00 0.00 ATOM 147 N ALA A 20 6.505 23.702 -8.703 1.00 0.00 ATOM 148 CA ALA A 20 6.524 24.280 -10.064 1.00 0.00 ATOM 149 CB ALA A 20 6.609 23.140 -11.117 1.00 0.00 ATOM 150 O ALA A 20 4.183 24.555 -9.768 1.00 0.00 ATOM 151 C ALA A 20 5.228 25.016 -10.232 1.00 0.00 ATOM 152 N ARG A 21 5.272 26.179 -10.896 1.00 0.00 ATOM 153 CA ARG A 21 4.039 26.918 -11.168 1.00 0.00 ATOM 154 CB ARG A 21 4.371 28.343 -11.632 1.00 0.00 ATOM 155 CG ARG A 21 4.870 29.184 -10.481 1.00 0.00 ATOM 156 CD ARG A 21 5.389 30.528 -10.919 1.00 0.00 ATOM 157 NE ARG A 21 4.315 31.421 -11.327 1.00 0.00 ATOM 158 CZ ARG A 21 4.469 32.717 -11.644 1.00 0.00 ATOM 159 NH1 ARG A 21 5.665 33.314 -11.621 1.00 0.00 ATOM 160 NH2 ARG A 21 3.393 33.420 -11.983 1.00 0.00 ATOM 161 O ARG A 21 3.654 25.561 -13.117 1.00 0.00 ATOM 162 C ARG A 21 3.160 26.167 -12.174 1.00 0.00 ATOM 163 N ASN A 22 1.856 26.230 -11.931 1.00 0.00 ATOM 164 CA ASN A 22 0.886 25.594 -12.771 1.00 0.00 ATOM 165 CB ASN A 22 -0.109 24.869 -11.879 1.00 0.00 ATOM 166 CG ASN A 22 -1.219 24.168 -12.663 1.00 0.00 ATOM 167 ND2 ASN A 22 -1.670 23.044 -12.123 1.00 0.00 ATOM 168 OD1 ASN A 22 -1.661 24.617 -13.729 1.00 0.00 ATOM 169 O ASN A 22 -0.626 27.399 -13.000 1.00 0.00 ATOM 170 C ASN A 22 0.218 26.722 -13.537 1.00 0.00 ATOM 171 N PHE A 23 0.652 26.960 -14.763 1.00 0.00 ATOM 172 CA PHE A 23 0.176 28.155 -15.484 1.00 0.00 ATOM 173 CB PHE A 23 1.141 28.542 -16.577 1.00 0.00 ATOM 174 CG PHE A 23 2.440 29.049 -16.021 1.00 0.00 ATOM 175 CD1 PHE A 23 2.457 30.262 -15.387 1.00 0.00 ATOM 176 CD2 PHE A 23 3.600 28.282 -16.079 1.00 0.00 ATOM 177 CE1 PHE A 23 3.615 30.768 -14.831 1.00 0.00 ATOM 178 CE2 PHE A 23 4.788 28.798 -15.506 1.00 0.00 ATOM 179 CZ PHE A 23 4.758 30.039 -14.876 1.00 0.00 ATOM 180 O PHE A 23 -1.966 29.032 -16.104 1.00 0.00 ATOM 181 C PHE A 23 -1.267 28.031 -15.958 1.00 0.00 ATOM 182 N GLU A 24 -1.709 26.795 -16.146 1.00 0.00 ATOM 183 CA GLU A 24 -3.122 26.524 -16.435 1.00 0.00 ATOM 184 CB GLU A 24 -3.296 25.028 -16.752 1.00 0.00 ATOM 185 CG GLU A 24 -4.758 24.535 -16.808 1.00 0.00 ATOM 186 CD GLU A 24 -5.522 25.088 -17.984 1.00 0.00 ATOM 187 OE1 GLU A 24 -4.902 25.293 -19.053 1.00 0.00 ATOM 188 OE2 GLU A 24 -6.752 25.310 -17.837 1.00 0.00 ATOM 189 O GLU A 24 -4.921 27.697 -15.380 1.00 0.00 ATOM 190 C GLU A 24 -3.971 26.952 -15.234 1.00 0.00 ATOM 191 N TRP A 25 -3.609 26.486 -14.033 1.00 0.00 ATOM 192 CA TRP A 25 -4.270 26.917 -12.810 1.00 0.00 ATOM 193 CB TRP A 25 -3.645 26.222 -11.595 1.00 0.00 ATOM 194 CG TRP A 25 -4.386 26.482 -10.326 1.00 0.00 ATOM 195 CD1 TRP A 25 -5.387 25.716 -9.789 1.00 0.00 ATOM 196 CD2 TRP A 25 -4.186 27.577 -9.422 1.00 0.00 ATOM 197 CE2 TRP A 25 -5.112 27.416 -8.361 1.00 0.00 ATOM 198 CE3 TRP A 25 -3.315 28.677 -9.401 1.00 0.00 ATOM 199 NE1 TRP A 25 -5.829 26.274 -8.612 1.00 0.00 ATOM 200 CZ2 TRP A 25 -5.191 28.314 -7.295 1.00 0.00 ATOM 201 CZ3 TRP A 25 -3.396 29.573 -8.348 1.00 0.00 ATOM 202 CH2 TRP A 25 -4.332 29.386 -7.302 1.00 0.00 ATOM 203 O TRP A 25 -5.245 29.058 -12.312 1.00 0.00 ATOM 204 C TRP A 25 -4.231 28.435 -12.647 1.00 0.00 ATOM 205 N GLU A 26 -3.074 29.055 -12.893 1.00 0.00 ATOM 206 CA GLU A 26 -2.963 30.508 -12.724 1.00 0.00 ATOM 207 CB GLU A 26 -1.513 30.999 -12.780 1.00 0.00 ATOM 208 CG GLU A 26 -0.628 30.426 -11.677 1.00 0.00 ATOM 209 CD GLU A 26 0.772 30.967 -11.745 1.00 0.00 ATOM 210 OE1 GLU A 26 0.997 31.992 -12.452 1.00 0.00 ATOM 211 OE2 GLU A 26 1.646 30.365 -11.076 1.00 0.00 ATOM 212 O GLU A 26 -4.262 32.374 -13.500 1.00 0.00 ATOM 213 C GLU A 26 -3.806 31.263 -13.750 1.00 0.00 ATOM 214 N ASN A 27 -3.990 30.681 -14.928 1.00 0.00 ATOM 215 CA ASN A 27 -4.829 31.347 -15.908 1.00 0.00 ATOM 216 CB ASN A 27 -4.890 30.560 -17.209 1.00 0.00 ATOM 217 CG ASN A 27 -5.846 31.197 -18.202 1.00 0.00 ATOM 218 ND2 ASN A 27 -5.436 32.318 -18.754 1.00 0.00 ATOM 219 OD1 ASN A 27 -6.971 30.705 -18.420 1.00 0.00 ATOM 220 O ASN A 27 -6.845 32.622 -15.583 1.00 0.00 ATOM 221 C ASN A 27 -6.247 31.567 -15.359 1.00 0.00 ATOM 222 N GLU A 28 -6.786 30.567 -14.674 1.00 0.00 ATOM 223 CA GLU A 28 -8.111 30.698 -14.078 1.00 0.00 ATOM 224 CB GLU A 28 -8.681 29.323 -13.708 1.00 0.00 ATOM 225 CG GLU A 28 -9.632 28.733 -14.749 1.00 0.00 ATOM 226 CD GLU A 28 -10.885 29.572 -14.941 1.00 0.00 ATOM 227 OE1 GLU A 28 -10.958 30.314 -15.938 1.00 0.00 ATOM 228 OE2 GLU A 28 -11.790 29.504 -14.087 1.00 0.00 ATOM 229 O GLU A 28 -8.913 32.481 -12.687 1.00 0.00 ATOM 230 C GLU A 28 -8.074 31.590 -12.841 1.00 0.00 ATOM 231 N ASN A 29 -7.068 31.351 -11.994 1.00 0.00 ATOM 232 CA ASN A 29 -7.055 31.780 -10.580 1.00 0.00 ATOM 233 CB ASN A 29 -6.701 30.576 -9.699 1.00 0.00 ATOM 234 CG ASN A 29 -7.729 29.479 -9.788 1.00 0.00 ATOM 235 ND2 ASN A 29 -7.311 28.291 -10.204 1.00 0.00 ATOM 236 OD1 ASN A 29 -8.899 29.703 -9.491 1.00 0.00 ATOM 237 O ASN A 29 -6.246 33.508 -9.134 1.00 0.00 ATOM 238 C ASN A 29 -6.146 32.945 -10.228 1.00 0.00 ATOM 239 N GLY A 30 -5.272 33.321 -11.146 1.00 0.00 ATOM 240 CA GLY A 30 -4.412 34.477 -10.958 1.00 0.00 ATOM 241 O GLY A 30 -3.013 32.877 -9.906 1.00 0.00 ATOM 242 C GLY A 30 -3.082 33.967 -10.475 1.00 0.00 ATOM 243 N ALA A 31 -2.034 34.743 -10.723 1.00 0.00 ATOM 244 CA ALA A 31 -0.689 34.344 -10.336 1.00 0.00 ATOM 245 CB ALA A 31 0.352 35.093 -11.149 1.00 0.00 ATOM 246 O ALA A 31 -1.089 35.556 -8.305 1.00 0.00 ATOM 247 C ALA A 31 -0.507 34.610 -8.842 1.00 0.00 ATOM 248 N PRO A 32 0.278 33.755 -8.162 1.00 0.00 ATOM 249 CA PRO A 32 0.591 33.963 -6.755 1.00 0.00 ATOM 250 CB PRO A 32 1.354 32.685 -6.377 1.00 0.00 ATOM 251 CG PRO A 32 1.974 32.222 -7.653 1.00 0.00 ATOM 252 CD PRO A 32 0.933 32.546 -8.705 1.00 0.00 ATOM 253 O PRO A 32 2.192 35.538 -7.585 1.00 0.00 ATOM 254 C PRO A 32 1.493 35.175 -6.627 1.00 0.00 ATOM 255 N GLU A 33 1.447 35.822 -5.457 1.00 0.00 ATOM 256 CA GLU A 33 2.325 36.963 -5.152 1.00 0.00 ATOM 257 CB GLU A 33 1.516 38.227 -4.814 1.00 0.00 ATOM 258 CG GLU A 33 2.361 39.522 -4.878 1.00 0.00 ATOM 259 CD GLU A 33 1.615 40.809 -4.475 1.00 0.00 ATOM 260 OE1 GLU A 33 0.370 40.792 -4.320 1.00 0.00 ATOM 261 OE2 GLU A 33 2.291 41.851 -4.309 1.00 0.00 ATOM 262 O GLU A 33 2.896 35.931 -3.053 1.00 0.00 ATOM 263 C GLU A 33 3.266 36.650 -3.982 1.00 0.00 ATOM 264 N THR A 34 4.480 37.194 -4.048 1.00 0.00 ATOM 265 CA THR A 34 5.436 37.089 -2.949 1.00 0.00 ATOM 266 CB THR A 34 6.838 37.598 -3.372 1.00 0.00 ATOM 267 CG2 THR A 34 7.806 37.654 -2.197 1.00 0.00 ATOM 268 OG1 THR A 34 7.384 36.739 -4.376 1.00 0.00 ATOM 269 O THR A 34 4.487 38.969 -1.744 1.00 0.00 ATOM 270 C THR A 34 4.937 37.804 -1.687 1.00 0.00 ATOM 271 N LYS A 35 5.007 37.108 -0.553 1.00 0.00 ATOM 272 CA LYS A 35 4.683 37.690 0.745 1.00 0.00 ATOM 273 CB LYS A 35 3.203 37.475 1.037 1.00 0.00 ATOM 274 CG LYS A 35 2.668 38.230 2.265 1.00 0.00 ATOM 275 CD LYS A 35 1.147 37.989 2.452 1.00 0.00 ATOM 276 CE LYS A 35 0.632 38.655 3.763 1.00 0.00 ATOM 277 NZ LYS A 35 -0.352 37.753 4.495 1.00 0.00 ATOM 278 O LYS A 35 5.540 35.728 1.802 1.00 0.00 ATOM 279 C LYS A 35 5.525 36.958 1.785 1.00 0.00 ATOM 280 N VAL A 36 6.174 37.716 2.662 1.00 0.00 ATOM 281 CA VAL A 36 7.025 37.134 3.711 1.00 0.00 ATOM 282 CB VAL A 36 8.530 37.315 3.413 1.00 0.00 ATOM 283 CG1 VAL A 36 9.393 36.785 4.578 1.00 0.00 ATOM 284 CG2 VAL A 36 8.947 36.609 2.102 1.00 0.00 ATOM 285 O VAL A 36 6.604 39.144 4.919 1.00 0.00 ATOM 286 C VAL A 36 6.655 37.907 4.948 1.00 0.00 ATOM 287 N ASP A 37 6.414 37.194 6.039 1.00 0.00 ATOM 288 CA ASP A 37 5.908 37.818 7.260 1.00 0.00 ATOM 289 CB ASP A 37 4.382 37.673 7.321 1.00 0.00 ATOM 290 CG ASP A 37 3.714 38.733 8.197 1.00 0.00 ATOM 291 OD1 ASP A 37 2.473 38.664 8.364 1.00 0.00 ATOM 292 OD2 ASP A 37 4.409 39.629 8.716 1.00 0.00 ATOM 293 O ASP A 37 6.737 35.954 8.530 1.00 0.00 ATOM 294 C ASP A 37 6.521 37.170 8.490 1.00 0.00 ATOM 295 N VAL A 38 6.758 37.990 9.507 1.00 0.00 ATOM 296 CA VAL A 38 7.187 37.513 10.806 1.00 0.00 ATOM 297 CB VAL A 38 8.504 38.167 11.254 1.00 0.00 ATOM 298 CG1 VAL A 38 8.817 37.725 12.704 1.00 0.00 ATOM 299 CG2 VAL A 38 9.612 37.810 10.306 1.00 0.00 ATOM 300 O VAL A 38 5.649 39.036 11.858 1.00 0.00 ATOM 301 C VAL A 38 6.082 37.859 11.791 1.00 0.00 ATOM 302 N ASN A 39 5.609 36.836 12.490 1.00 0.00 ATOM 303 CA ASN A 39 4.637 36.942 13.566 1.00 0.00 ATOM 304 CB ASN A 39 3.314 36.320 13.139 1.00 0.00 ATOM 305 CG ASN A 39 2.600 37.149 12.085 1.00 0.00 ATOM 306 ND2 ASN A 39 2.645 36.696 10.827 1.00 0.00 ATOM 307 OD1 ASN A 39 2.012 38.187 12.400 1.00 0.00 ATOM 308 O ASN A 39 6.089 35.496 14.847 1.00 0.00 ATOM 309 C ASN A 39 5.122 36.274 14.848 1.00 0.00 ATOM 310 N PHE A 40 4.429 36.589 15.944 1.00 0.00 ATOM 311 CA PHE A 40 4.848 36.180 17.285 1.00 0.00 ATOM 312 CB PHE A 40 5.358 37.395 18.068 1.00 0.00 ATOM 313 CG PHE A 40 6.566 38.040 17.454 1.00 0.00 ATOM 314 CD1 PHE A 40 7.826 37.482 17.620 1.00 0.00 ATOM 315 CD2 PHE A 40 6.442 39.183 16.672 1.00 0.00 ATOM 316 CE1 PHE A 40 8.944 38.077 17.038 1.00 0.00 ATOM 317 CE2 PHE A 40 7.564 39.786 16.090 1.00 0.00 ATOM 318 CZ PHE A 40 8.816 39.225 16.279 1.00 0.00 ATOM 319 O PHE A 40 2.603 36.113 18.020 1.00 0.00 ATOM 320 C PHE A 40 3.709 35.588 18.055 1.00 0.00 ATOM 321 N GLN A 41 3.983 34.470 18.724 1.00 0.00 ATOM 322 CA GLN A 41 3.038 33.860 19.659 1.00 0.00 ATOM 323 CB GLN A 41 2.727 32.397 19.289 1.00 0.00 ATOM 324 CG GLN A 41 1.827 31.679 20.311 1.00 0.00 ATOM 325 CD GLN A 41 1.038 30.514 19.727 1.00 0.00 ATOM 326 OE1 GLN A 41 1.583 29.436 19.468 1.00 0.00 ATOM 327 NE2 GLN A 41 -0.264 30.722 19.543 1.00 0.00 ATOM 328 O GLN A 41 4.738 33.433 21.285 1.00 0.00 ATOM 329 C GLN A 41 3.642 33.930 21.055 1.00 0.00 ATOM 330 N LEU A 42 2.925 34.549 21.988 1.00 0.00 ATOM 331 CA LEU A 42 3.354 34.538 23.389 1.00 0.00 ATOM 332 CB LEU A 42 2.578 35.571 24.214 1.00 0.00 ATOM 333 CG LEU A 42 2.891 37.041 23.966 1.00 0.00 ATOM 334 CD1 LEU A 42 2.034 37.896 24.882 1.00 0.00 ATOM 335 CD2 LEU A 42 4.363 37.333 24.208 1.00 0.00 ATOM 336 O LEU A 42 2.173 32.484 23.762 1.00 0.00 ATOM 337 C LEU A 42 3.179 33.163 24.001 1.00 0.00 ATOM 338 N LEU A 43 4.174 32.750 24.780 1.00 0.00 ATOM 339 CA LEU A 43 4.122 31.477 25.466 1.00 0.00 ATOM 340 CB LEU A 43 5.350 30.638 25.136 1.00 0.00 ATOM 341 CG LEU A 43 5.484 30.167 23.688 1.00 0.00 ATOM 342 CD1 LEU A 43 6.848 29.534 23.523 1.00 0.00 ATOM 343 CD2 LEU A 43 4.400 29.159 23.356 1.00 0.00 ATOM 344 O LEU A 43 3.290 30.931 27.648 1.00 0.00 ATOM 345 C LEU A 43 4.014 31.666 26.970 1.00 0.00 ATOM 346 N GLN A 44 4.750 32.643 27.494 1.00 0.00 ATOM 347 CA GLN A 44 4.850 32.823 28.941 1.00 0.00 ATOM 348 CB GLN A 44 5.708 31.718 29.555 1.00 0.00 ATOM 349 CG GLN A 44 5.677 31.656 31.083 1.00 0.00 ATOM 350 CD GLN A 44 6.649 30.634 31.622 1.00 0.00 ATOM 351 OE1 GLN A 44 7.848 30.908 31.768 1.00 0.00 ATOM 352 NE2 GLN A 44 6.144 29.439 31.910 1.00 0.00 ATOM 353 O GLN A 44 6.352 34.664 28.583 1.00 0.00 ATOM 354 C GLN A 44 5.455 34.169 29.281 1.00 0.00 ATOM 355 N HIS A 45 4.925 34.774 30.339 1.00 0.00 ATOM 356 CA HIS A 45 5.567 35.897 31.003 1.00 0.00 ATOM 357 CB HIS A 45 4.604 37.077 31.172 1.00 0.00 ATOM 358 CG HIS A 45 4.282 37.789 29.896 1.00 0.00 ATOM 359 CD2 HIS A 45 5.087 38.359 28.968 1.00 0.00 ATOM 360 ND1 HIS A 45 2.991 37.976 29.449 1.00 0.00 ATOM 361 CE1 HIS A 45 3.014 38.635 28.304 1.00 0.00 ATOM 362 NE2 HIS A 45 4.276 38.877 27.989 1.00 0.00 ATOM 363 O HIS A 45 5.144 34.960 33.168 1.00 0.00 ATOM 364 C HIS A 45 5.988 35.372 32.361 1.00 0.00 ATOM 365 N ASP A 46 7.294 35.341 32.593 1.00 0.00 ATOM 366 CA ASP A 46 7.836 34.978 33.882 1.00 0.00 ATOM 367 CB ASP A 46 9.125 34.175 33.691 1.00 0.00 ATOM 368 CG ASP A 46 9.810 33.826 34.990 1.00 0.00 ATOM 369 OD1 ASP A 46 9.503 34.435 36.044 1.00 0.00 ATOM 370 OD2 ASP A 46 10.681 32.936 34.950 1.00 0.00 ATOM 371 O ASP A 46 9.093 36.967 34.358 1.00 0.00 ATOM 372 C ASP A 46 8.089 36.297 34.608 1.00 0.00 ATOM 373 N GLN A 47 7.166 36.675 35.495 1.00 0.00 ATOM 374 CA GLN A 47 7.278 37.956 36.206 1.00 0.00 ATOM 375 CB GLN A 47 5.977 38.301 36.948 1.00 0.00 ATOM 376 CG GLN A 47 4.789 38.561 36.020 1.00 0.00 ATOM 377 CD GLN A 47 4.942 39.814 35.157 1.00 0.00 ATOM 378 OE1 GLN A 47 5.796 40.671 35.412 1.00 0.00 ATOM 379 NE2 GLN A 47 4.104 39.925 34.130 1.00 0.00 ATOM 380 O GLN A 47 9.236 39.006 37.114 1.00 0.00 ATOM 381 C GLN A 47 8.488 38.025 37.138 1.00 0.00 ATOM 382 N GLU A 48 8.693 36.976 37.931 1.00 0.00 ATOM 383 CA GLU A 48 9.821 36.917 38.873 1.00 0.00 ATOM 384 CB GLU A 48 9.853 35.574 39.620 1.00 0.00 ATOM 385 CG GLU A 48 8.544 35.212 40.325 1.00 0.00 ATOM 386 CD GLU A 48 8.296 33.698 40.391 1.00 0.00 ATOM 387 OE1 GLU A 48 8.740 32.966 39.470 1.00 0.00 ATOM 388 OE2 GLU A 48 7.640 33.241 41.361 1.00 0.00 ATOM 389 O GLU A 48 11.970 37.954 38.638 1.00 0.00 ATOM 390 C GLU A 48 11.160 37.147 38.182 1.00 0.00 ATOM 391 N ASN A 49 11.385 36.444 37.074 1.00 0.00 ATOM 392 CA ASN A 49 12.663 36.545 36.376 1.00 0.00 ATOM 393 CB ASN A 49 13.098 35.181 35.860 1.00 0.00 ATOM 394 CG ASN A 49 13.396 34.215 36.985 1.00 0.00 ATOM 395 ND2 ASN A 49 14.318 34.598 37.861 1.00 0.00 ATOM 396 OD1 ASN A 49 12.786 33.146 37.080 1.00 0.00 ATOM 397 O ASN A 49 13.754 37.853 34.711 1.00 0.00 ATOM 398 C ASN A 49 12.682 37.569 35.260 1.00 0.00 ATOM 399 N GLN A 50 11.505 38.109 34.934 1.00 0.00 ATOM 400 CA GLN A 50 11.349 39.122 33.888 1.00 0.00 ATOM 401 CB GLN A 50 12.119 40.394 34.262 1.00 0.00 ATOM 402 CG GLN A 50 11.721 41.664 33.516 1.00 0.00 ATOM 403 CD GLN A 50 12.509 42.884 33.987 1.00 0.00 ATOM 404 OE1 GLN A 50 13.580 42.760 34.580 1.00 0.00 ATOM 405 NE2 GLN A 50 11.977 44.066 33.721 1.00 0.00 ATOM 406 O GLN A 50 12.728 39.060 31.912 1.00 0.00 ATOM 407 C GLN A 50 11.802 38.552 32.537 1.00 0.00 ATOM 408 N VAL A 51 11.141 37.483 32.105 1.00 0.00 ATOM 409 CA VAL A 51 11.468 36.829 30.843 1.00 0.00 ATOM 410 CB VAL A 51 12.061 35.422 31.074 1.00 0.00 ATOM 411 CG1 VAL A 51 12.355 34.735 29.757 1.00 0.00 ATOM 412 CG2 VAL A 51 13.338 35.480 31.884 1.00 0.00 ATOM 413 O VAL A 51 9.233 36.078 30.525 1.00 0.00 ATOM 414 C VAL A 51 10.205 36.649 30.032 1.00 0.00 ATOM 415 N THR A 52 10.194 37.114 28.787 1.00 0.00 ATOM 416 CA THR A 52 9.083 36.702 27.944 1.00 0.00 ATOM 417 CB THR A 52 8.149 37.862 27.442 1.00 0.00 ATOM 418 CG2 THR A 52 8.685 39.212 27.775 1.00 0.00 ATOM 419 OG1 THR A 52 7.845 37.749 26.040 1.00 0.00 ATOM 420 O THR A 52 10.477 35.802 26.210 1.00 0.00 ATOM 421 C THR A 52 9.487 35.640 26.920 1.00 0.00 ATOM 422 N SER A 53 8.747 34.538 26.935 1.00 0.00 ATOM 423 CA SER A 53 8.968 33.452 26.016 1.00 0.00 ATOM 424 CB SER A 53 8.805 32.117 26.723 1.00 0.00 ATOM 425 OG SER A 53 9.691 32.018 27.818 1.00 0.00 ATOM 426 O SER A 53 6.750 33.872 25.159 1.00 0.00 ATOM 427 C SER A 53 7.950 33.608 24.910 1.00 0.00 ATOM 428 N LEU A 54 8.405 33.474 23.677 1.00 0.00 ATOM 429 CA LEU A 54 7.464 33.538 22.570 1.00 0.00 ATOM 430 CB LEU A 54 7.308 34.973 22.067 1.00 0.00 ATOM 431 CG LEU A 54 8.555 35.847 21.897 1.00 0.00 ATOM 432 CD1 LEU A 54 9.304 35.570 20.597 1.00 0.00 ATOM 433 CD2 LEU A 54 8.148 37.312 21.971 1.00 0.00 ATOM 434 O LEU A 54 9.086 32.123 21.526 1.00 0.00 ATOM 435 C LEU A 54 7.960 32.627 21.475 1.00 0.00 ATOM 436 N ILE A 55 7.100 32.418 20.492 1.00 0.00 ATOM 437 CA ILE A 55 7.485 31.732 19.278 1.00 0.00 ATOM 438 CB ILE A 55 6.448 30.685 18.777 1.00 0.00 ATOM 439 CG1 ILE A 55 5.879 29.794 19.898 1.00 0.00 ATOM 440 CG2 ILE A 55 7.066 29.835 17.655 1.00 0.00 ATOM 441 CD1 ILE A 55 4.626 29.015 19.439 1.00 0.00 ATOM 442 O ILE A 55 6.682 33.609 17.972 1.00 0.00 ATOM 443 C ILE A 55 7.604 32.806 18.191 1.00 0.00 ATOM 444 N VAL A 56 8.742 32.832 17.503 1.00 0.00 ATOM 445 CA VAL A 56 8.914 33.660 16.325 1.00 0.00 ATOM 446 CB VAL A 56 10.388 34.089 16.190 1.00 0.00 ATOM 447 CG1 VAL A 56 10.575 34.950 14.949 1.00 0.00 ATOM 448 CG2 VAL A 56 10.861 34.812 17.477 1.00 0.00 ATOM 449 O VAL A 56 9.119 31.710 14.959 1.00 0.00 ATOM 450 C VAL A 56 8.576 32.811 15.120 1.00 0.00 ATOM 451 N ILE A 57 7.669 33.298 14.282 1.00 0.00 ATOM 452 CA ILE A 57 7.147 32.466 13.196 1.00 0.00 ATOM 453 CB ILE A 57 5.613 32.216 13.352 1.00 0.00 ATOM 454 CG1 ILE A 57 5.297 31.552 14.700 1.00 0.00 ATOM 455 CG2 ILE A 57 5.099 31.392 12.169 1.00 0.00 ATOM 456 CD1 ILE A 57 3.798 31.686 15.146 1.00 0.00 ATOM 457 O ILE A 57 6.768 34.253 11.648 1.00 0.00 ATOM 458 C ILE A 57 7.358 33.194 11.889 1.00 0.00 ATOM 459 N LEU A 58 8.136 32.598 11.005 1.00 0.00 ATOM 460 CA LEU A 58 8.429 33.193 9.715 1.00 0.00 ATOM 461 CB LEU A 58 9.913 32.994 9.363 1.00 0.00 ATOM 462 CG LEU A 58 10.365 33.380 7.954 1.00 0.00 ATOM 463 CD1 LEU A 58 10.247 34.915 7.731 1.00 0.00 ATOM 464 CD2 LEU A 58 11.826 33.038 7.872 1.00 0.00 ATOM 465 O LEU A 58 7.847 31.216 8.478 1.00 0.00 ATOM 466 C LEU A 58 7.623 32.419 8.681 1.00 0.00 ATOM 467 N SER A 59 6.685 33.086 8.025 1.00 0.00 ATOM 468 CA SER A 59 5.896 32.428 6.980 1.00 0.00 ATOM 469 CB SER A 59 4.400 32.473 7.320 1.00 0.00 ATOM 470 OG SER A 59 3.987 33.805 7.533 1.00 0.00 ATOM 471 O SER A 59 6.378 34.316 5.579 1.00 0.00 ATOM 472 C SER A 59 6.178 33.102 5.646 1.00 0.00 ATOM 473 N PHE A 60 6.191 32.322 4.568 1.00 0.00 ATOM 474 CA PHE A 60 6.672 32.840 3.304 1.00 0.00 ATOM 475 CB PHE A 60 8.233 32.715 3.244 1.00 0.00 ATOM 476 CG PHE A 60 8.725 31.344 3.638 1.00 0.00 ATOM 477 CD1 PHE A 60 8.873 30.359 2.666 1.00 0.00 ATOM 478 CD2 PHE A 60 8.985 31.026 4.979 1.00 0.00 ATOM 479 CE1 PHE A 60 9.315 29.063 3.018 1.00 0.00 ATOM 480 CE2 PHE A 60 9.422 29.739 5.318 1.00 0.00 ATOM 481 CZ PHE A 60 9.535 28.759 4.342 1.00 0.00 ATOM 482 O PHE A 60 5.673 30.996 2.138 1.00 0.00 ATOM 483 C PHE A 60 6.032 32.200 2.111 1.00 0.00 ATOM 484 N MET A 61 5.825 33.008 1.078 1.00 0.00 ATOM 485 CA MET A 61 5.540 32.516 -0.265 1.00 0.00 ATOM 486 CB MET A 61 4.050 32.608 -0.596 1.00 0.00 ATOM 487 CG MET A 61 3.757 32.575 -2.071 1.00 0.00 ATOM 488 SD MET A 61 1.867 32.146 -2.385 1.00 0.00 ATOM 489 CE MET A 61 1.984 30.331 -1.842 1.00 0.00 ATOM 490 O MET A 61 6.226 34.641 -1.095 1.00 0.00 ATOM 491 C MET A 61 6.351 33.415 -1.157 1.00 0.00 ATOM 492 N ILE A 62 7.234 32.790 -1.927 1.00 0.00 ATOM 493 CA ILE A 62 8.214 33.513 -2.735 1.00 0.00 ATOM 494 CB ILE A 62 9.654 33.347 -2.210 1.00 0.00 ATOM 495 CG1 ILE A 62 9.739 33.550 -0.674 1.00 0.00 ATOM 496 CG2 ILE A 62 10.603 34.320 -2.965 1.00 0.00 ATOM 497 CD1 ILE A 62 11.131 33.102 -0.068 1.00 0.00 ATOM 498 O ILE A 62 8.313 31.818 -4.429 1.00 0.00 ATOM 499 C ILE A 62 8.097 32.995 -4.160 1.00 0.00 ATOM 500 N VAL A 63 7.738 33.902 -5.066 1.00 0.00 ATOM 501 CA VAL A 63 7.346 33.548 -6.420 1.00 0.00 ATOM 502 CB VAL A 63 6.069 34.330 -6.827 1.00 0.00 ATOM 503 CG1 VAL A 63 5.628 34.016 -8.293 1.00 0.00 ATOM 504 CG2 VAL A 63 4.952 34.003 -5.853 1.00 0.00 ATOM 505 O VAL A 63 8.989 35.000 -7.441 1.00 0.00 ATOM 506 C VAL A 63 8.489 33.839 -7.374 1.00 0.00 ATOM 507 N PHE A 64 8.919 32.797 -8.087 1.00 0.00 ATOM 508 CA PHE A 64 9.961 32.916 -9.083 1.00 0.00 ATOM 509 CB PHE A 64 11.054 31.876 -8.844 1.00 0.00 ATOM 510 CG PHE A 64 11.864 32.148 -7.619 1.00 0.00 ATOM 511 CD1 PHE A 64 13.028 32.911 -7.701 1.00 0.00 ATOM 512 CD2 PHE A 64 11.442 31.675 -6.381 1.00 0.00 ATOM 513 CE1 PHE A 64 13.780 33.193 -6.567 1.00 0.00 ATOM 514 CE2 PHE A 64 12.186 31.941 -5.240 1.00 0.00 ATOM 515 CZ PHE A 64 13.356 32.697 -5.335 1.00 0.00 ATOM 516 O PHE A 64 8.125 32.446 -10.531 1.00 0.00 ATOM 517 C PHE A 64 9.322 32.705 -10.462 1.00 0.00 ATOM 518 N ASP A 65 10.097 32.831 -11.541 1.00 0.00 ATOM 519 CA ASP A 65 9.513 32.707 -12.880 1.00 0.00 ATOM 520 CB ASP A 65 10.563 32.780 -13.980 1.00 0.00 ATOM 521 CG ASP A 65 11.200 34.165 -14.132 1.00 0.00 ATOM 522 OD1 ASP A 65 10.518 35.191 -14.021 1.00 0.00 ATOM 523 OD2 ASP A 65 12.432 34.178 -14.401 1.00 0.00 ATOM 524 O ASP A 65 7.626 31.360 -13.536 1.00 0.00 ATOM 525 C ASP A 65 8.757 31.372 -13.031 1.00 0.00 ATOM 526 N LYS A 66 9.393 30.274 -12.590 1.00 0.00 ATOM 527 CA LYS A 66 8.921 28.915 -12.910 1.00 0.00 ATOM 528 CB LYS A 66 10.015 28.138 -13.674 1.00 0.00 ATOM 529 CG LYS A 66 10.489 28.823 -14.968 1.00 0.00 ATOM 530 CD LYS A 66 9.314 29.114 -15.912 1.00 0.00 ATOM 531 CE LYS A 66 8.748 27.823 -16.511 1.00 0.00 ATOM 532 NZ LYS A 66 8.039 28.100 -17.803 1.00 0.00 ATOM 533 O LYS A 66 7.897 27.004 -11.817 1.00 0.00 ATOM 534 C LYS A 66 8.440 28.107 -11.673 1.00 0.00 ATOM 535 N PHE A 67 8.637 28.665 -10.480 1.00 0.00 ATOM 536 CA PHE A 67 8.346 27.897 -9.252 1.00 0.00 ATOM 537 CB PHE A 67 9.509 26.909 -8.933 1.00 0.00 ATOM 538 CG PHE A 67 10.788 27.600 -8.596 1.00 0.00 ATOM 539 CD1 PHE A 67 11.101 27.894 -7.274 1.00 0.00 ATOM 540 CD2 PHE A 67 11.648 28.040 -9.607 1.00 0.00 ATOM 541 CE1 PHE A 67 12.261 28.554 -6.954 1.00 0.00 ATOM 542 CE2 PHE A 67 12.818 28.719 -9.293 1.00 0.00 ATOM 543 CZ PHE A 67 13.121 28.987 -7.960 1.00 0.00 ATOM 544 O PHE A 67 8.242 30.058 -8.198 1.00 0.00 ATOM 545 C PHE A 67 8.036 28.836 -8.103 1.00 0.00 ATOM 546 N VAL A 68 7.535 28.267 -7.009 1.00 0.00 ATOM 547 CA VAL A 68 7.203 29.002 -5.804 1.00 0.00 ATOM 548 CB VAL A 68 5.658 29.085 -5.598 1.00 0.00 ATOM 549 CG1 VAL A 68 5.333 29.756 -4.248 1.00 0.00 ATOM 550 CG2 VAL A 68 5.034 29.884 -6.760 1.00 0.00 ATOM 551 O VAL A 68 7.827 27.004 -4.588 1.00 0.00 ATOM 552 C VAL A 68 7.820 28.249 -4.613 1.00 0.00 ATOM 553 N ILE A 69 8.404 28.992 -3.683 1.00 0.00 ATOM 554 CA ILE A 69 8.884 28.453 -2.403 1.00 0.00 ATOM 555 CB ILE A 69 10.258 29.053 -2.047 1.00 0.00 ATOM 556 CG1 ILE A 69 11.348 28.747 -3.105 1.00 0.00 ATOM 557 CG2 ILE A 69 10.666 28.688 -0.622 1.00 0.00 ATOM 558 CD1 ILE A 69 11.578 27.317 -3.301 1.00 0.00 ATOM 559 O ILE A 69 7.686 30.163 -1.236 1.00 0.00 ATOM 560 C ILE A 69 7.922 28.953 -1.327 1.00 0.00 ATOM 561 N SER A 70 7.372 28.056 -0.502 1.00 0.00 ATOM 562 CA SER A 70 6.446 28.493 0.530 1.00 0.00 ATOM 563 CB SER A 70 5.005 28.437 0.012 1.00 0.00 ATOM 564 OG SER A 70 4.667 27.105 -0.381 1.00 0.00 ATOM 565 O SER A 70 7.040 26.472 1.685 1.00 0.00 ATOM 566 C SER A 70 6.564 27.620 1.764 1.00 0.00 ATOM 567 N GLY A 71 6.128 28.162 2.899 1.00 0.00 ATOM 568 CA GLY A 71 6.149 27.387 4.150 1.00 0.00 ATOM 569 O GLY A 71 5.948 29.459 5.319 1.00 0.00 ATOM 570 C GLY A 71 6.221 28.250 5.379 1.00 0.00 ATOM 571 N THR A 72 6.626 27.617 6.476 1.00 0.00 ATOM 572 CA THR A 72 6.710 28.232 7.775 1.00 0.00 ATOM 573 CB THR A 72 5.442 27.924 8.536 1.00 0.00 ATOM 574 CG2 THR A 72 5.522 28.477 9.956 1.00 0.00 ATOM 575 OG1 THR A 72 4.298 28.502 7.831 1.00 0.00 ATOM 576 O THR A 72 8.002 26.387 8.582 1.00 0.00 ATOM 577 C THR A 72 7.879 27.617 8.527 1.00 0.00 ATOM 578 N ILE A 73 8.692 28.492 9.127 1.00 0.00 ATOM 579 CA ILE A 73 9.832 28.121 9.967 1.00 0.00 ATOM 580 CB ILE A 73 11.150 28.497 9.235 1.00 0.00 ATOM 581 CG1 ILE A 73 11.267 27.691 7.941 1.00 0.00 ATOM 582 CG2 ILE A 73 12.390 28.326 10.168 1.00 0.00 ATOM 583 CD1 ILE A 73 12.385 28.217 6.963 1.00 0.00 ATOM 584 O ILE A 73 9.267 30.119 11.158 1.00 0.00 ATOM 585 C ILE A 73 9.665 28.944 11.236 1.00 0.00 ATOM 586 N SER A 74 9.928 28.334 12.398 1.00 0.00 ATOM 587 CA SER A 74 9.741 29.047 13.667 1.00 0.00 ATOM 588 CB SER A 74 8.363 28.732 14.252 1.00 0.00 ATOM 589 OG SER A 74 8.301 27.391 14.704 1.00 0.00 ATOM 590 O SER A 74 11.524 27.727 14.571 1.00 0.00 ATOM 591 C SER A 74 10.810 28.725 14.693 1.00 0.00 ATOM 592 N GLN A 75 10.883 29.564 15.724 1.00 0.00 ATOM 593 CA GLN A 75 11.869 29.360 16.790 1.00 0.00 ATOM 594 CB GLN A 75 13.168 30.052 16.427 1.00 0.00 ATOM 595 CG GLN A 75 14.330 29.628 17.326 1.00 0.00 ATOM 596 CD GLN A 75 15.580 30.417 17.025 1.00 0.00 ATOM 597 OE1 GLN A 75 15.522 31.618 16.794 1.00 0.00 ATOM 598 NE2 GLN A 75 16.725 29.752 17.086 1.00 0.00 ATOM 599 O GLN A 75 11.003 31.141 18.094 1.00 0.00 ATOM 600 C GLN A 75 11.361 29.966 18.084 1.00 0.00 ATOM 601 N VAL A 76 11.402 29.174 19.158 1.00 0.00 ATOM 602 CA VAL A 76 11.088 29.675 20.487 1.00 0.00 ATOM 603 CB VAL A 76 10.793 28.517 21.471 1.00 0.00 ATOM 604 CG1 VAL A 76 10.560 29.079 22.871 1.00 0.00 ATOM 605 CG2 VAL A 76 9.561 27.777 21.026 1.00 0.00 ATOM 606 O VAL A 76 13.400 30.085 20.959 1.00 0.00 ATOM 607 C VAL A 76 12.251 30.533 20.957 1.00 0.00 ATOM 608 N ASN A 77 11.933 31.765 21.339 1.00 0.00 ATOM 609 CA ASN A 77 12.935 32.713 21.870 1.00 0.00 ATOM 610 CB ASN A 77 13.106 33.956 20.960 1.00 0.00 ATOM 611 CG ASN A 77 13.932 33.675 19.723 1.00 0.00 ATOM 612 ND2 ASN A 77 13.366 32.904 18.788 1.00 0.00 ATOM 613 OD1 ASN A 77 15.104 34.106 19.621 1.00 0.00 ATOM 614 O ASN A 77 11.314 33.419 23.492 1.00 0.00 ATOM 615 C ASN A 77 12.506 33.176 23.252 1.00 0.00 ATOM 616 N HIS A 78 13.475 33.328 24.143 1.00 0.00 ATOM 617 CA HIS A 78 13.198 33.901 25.454 1.00 0.00 ATOM 618 CB HIS A 78 13.653 32.935 26.537 1.00 0.00 ATOM 619 CG HIS A 78 13.177 31.537 26.333 1.00 0.00 ATOM 620 CD2 HIS A 78 13.784 30.452 25.794 1.00 0.00 ATOM 621 ND1 HIS A 78 11.891 31.143 26.643 1.00 0.00 ATOM 622 CE1 HIS A 78 11.746 29.860 26.356 1.00 0.00 ATOM 623 NE2 HIS A 78 12.873 29.421 25.823 1.00 0.00 ATOM 624 O HIS A 78 15.159 35.239 25.421 1.00 0.00 ATOM 625 C HIS A 78 13.941 35.218 25.570 1.00 0.00 ATOM 626 N ILE A 79 13.204 36.311 25.790 1.00 0.00 ATOM 627 CA ILE A 79 13.756 37.656 25.915 1.00 0.00 ATOM 628 CB ILE A 79 12.816 38.752 25.334 1.00 0.00 ATOM 629 CG1 ILE A 79 12.398 38.394 23.894 1.00 0.00 ATOM 630 CG2 ILE A 79 13.460 40.137 25.492 1.00 0.00 ATOM 631 CD1 ILE A 79 11.359 39.340 23.276 1.00 0.00 ATOM 632 O ILE A 79 13.001 38.012 28.151 1.00 0.00 ATOM 633 C ILE A 79 13.966 37.901 27.387 1.00 0.00 ATOM 634 N ASP A 80 15.233 37.962 27.773 1.00 0.00 ATOM 635 CA ASP A 80 15.588 38.011 29.167 1.00 0.00 ATOM 636 CB ASP A 80 16.877 37.208 29.379 1.00 0.00 ATOM 637 CG ASP A 80 17.142 36.871 30.848 1.00 0.00 ATOM 638 OD1 ASP A 80 16.412 37.361 31.749 1.00 0.00 ATOM 639 OD2 ASP A 80 18.098 36.097 31.108 1.00 0.00 ATOM 640 O ASP A 80 16.628 40.169 29.084 1.00 0.00 ATOM 641 C ASP A 80 15.760 39.443 29.597 1.00 0.00 ATOM 642 N GLY A 81 14.907 39.871 30.521 1.00 0.00 ATOM 643 CA GLY A 81 15.056 41.188 31.136 1.00 0.00 ATOM 644 O GLY A 81 14.036 43.342 30.945 1.00 0.00 ATOM 645 C GLY A 81 13.968 42.128 30.695 1.00 0.00 ATOM 646 N ARG A 82 12.948 41.580 30.042 1.00 0.00 ATOM 647 CA ARG A 82 11.917 42.405 29.487 1.00 0.00 ATOM 648 CB ARG A 82 12.311 42.825 28.081 1.00 0.00 ATOM 649 CG ARG A 82 11.531 43.981 27.614 1.00 0.00 ATOM 650 CD ARG A 82 12.097 44.469 26.322 1.00 0.00 ATOM 651 NE ARG A 82 11.044 45.103 25.559 1.00 0.00 ATOM 652 CZ ARG A 82 11.245 45.681 24.391 1.00 0.00 ATOM 653 NH1 ARG A 82 12.467 45.679 23.865 1.00 0.00 ATOM 654 NH2 ARG A 82 10.225 46.250 23.760 1.00 0.00 ATOM 655 O ARG A 82 10.529 40.532 29.016 1.00 0.00 ATOM 656 C ARG A 82 10.590 41.686 29.434 1.00 0.00 ATOM 657 N ILE A 83 9.534 42.372 29.852 1.00 0.00 ATOM 658 CA ILE A 83 8.197 41.854 29.670 1.00 0.00 ATOM 659 CB ILE A 83 7.298 42.091 30.913 1.00 0.00 ATOM 660 CG1 ILE A 83 7.879 41.394 32.153 1.00 0.00 ATOM 661 CG2 ILE A 83 5.831 41.671 30.631 1.00 0.00 ATOM 662 CD1 ILE A 83 7.753 39.875 32.180 1.00 0.00 ATOM 663 O ILE A 83 7.442 43.751 28.404 1.00 0.00 ATOM 664 C ILE A 83 7.615 42.532 28.434 1.00 0.00 ATOM 665 N VAL A 84 7.366 41.742 27.397 1.00 0.00 ATOM 666 CA VAL A 84 6.745 42.244 26.176 1.00 0.00 ATOM 667 CB VAL A 84 7.504 41.761 24.904 1.00 0.00 ATOM 668 CG1 VAL A 84 6.820 42.264 23.659 1.00 0.00 ATOM 669 CG2 VAL A 84 8.978 42.226 24.938 1.00 0.00 ATOM 670 O VAL A 84 5.012 40.590 25.920 1.00 0.00 ATOM 671 C VAL A 84 5.292 41.761 26.187 1.00 0.00 ATOM 672 N ASN A 85 4.396 42.674 26.568 1.00 0.00 ATOM 673 CA ASN A 85 2.956 42.410 26.708 1.00 0.00 ATOM 674 CB ASN A 85 2.259 43.632 27.318 1.00 0.00 ATOM 675 CG ASN A 85 2.528 43.792 28.801 1.00 0.00 ATOM 676 ND2 ASN A 85 2.738 42.680 29.495 1.00 0.00 ATOM 677 OD1 ASN A 85 2.539 44.910 29.319 1.00 0.00 ATOM 678 O ASN A 85 1.437 41.249 25.261 1.00 0.00 ATOM 679 C ASN A 85 2.305 42.125 25.376 1.00 0.00 ATOM 680 N GLU A 86 2.725 42.904 24.383 1.00 0.00 ATOM 681 CA GLU A 86 2.184 42.859 23.044 1.00 0.00 ATOM 682 CB GLU A 86 1.160 43.991 22.851 1.00 0.00 ATOM 683 CG GLU A 86 0.855 44.412 21.413 1.00 0.00 ATOM 684 CD GLU A 86 0.127 43.349 20.603 1.00 0.00 ATOM 685 OE1 GLU A 86 0.704 42.886 19.598 1.00 0.00 ATOM 686 OE2 GLU A 86 -1.017 42.984 20.963 1.00 0.00 ATOM 687 O GLU A 86 4.062 43.966 22.026 1.00 0.00 ATOM 688 C GLU A 86 3.371 42.950 22.086 1.00 0.00 ATOM 689 N PRO A 87 3.629 41.854 21.360 1.00 0.00 ATOM 690 CA PRO A 87 4.742 41.677 20.403 1.00 0.00 ATOM 691 CB PRO A 87 4.440 40.332 19.756 1.00 0.00 ATOM 692 CG PRO A 87 3.697 39.572 20.837 1.00 0.00 ATOM 693 CD PRO A 87 2.804 40.630 21.467 1.00 0.00 ATOM 694 O PRO A 87 5.928 43.098 18.892 1.00 0.00 ATOM 695 C PRO A 87 4.835 42.794 19.365 1.00 0.00 ATOM 696 N SER A 88 3.714 43.451 19.066 1.00 0.00 ATOM 697 CA SER A 88 3.758 44.602 18.169 1.00 0.00 ATOM 698 CB SER A 88 2.345 45.033 17.768 1.00 0.00 ATOM 699 OG SER A 88 1.679 45.610 18.885 1.00 0.00 ATOM 700 O SER A 88 4.819 46.734 17.987 1.00 0.00 ATOM 701 C SER A 88 4.555 45.788 18.716 1.00 0.00 ATOM 702 N GLU A 89 4.957 45.738 19.979 1.00 0.00 ATOM 703 CA GLU A 89 5.754 46.822 20.540 1.00 0.00 ATOM 704 CB GLU A 89 5.481 46.962 22.042 1.00 0.00 ATOM 705 CG GLU A 89 4.014 47.278 22.363 1.00 0.00 ATOM 706 CD GLU A 89 3.740 47.374 23.853 1.00 0.00 ATOM 707 OE1 GLU A 89 2.560 47.578 24.229 1.00 0.00 ATOM 708 OE2 GLU A 89 4.702 47.231 24.647 1.00 0.00 ATOM 709 O GLU A 89 8.037 47.571 20.601 1.00 0.00 ATOM 710 C GLU A 89 7.252 46.681 20.257 1.00 0.00 ATOM 711 N LEU A 90 7.648 45.564 19.637 1.00 0.00 ATOM 712 CA LEU A 90 9.049 45.358 19.237 1.00 0.00 ATOM 713 CB LEU A 90 9.310 43.882 18.916 1.00 0.00 ATOM 714 CG LEU A 90 9.167 42.924 20.093 1.00 0.00 ATOM 715 CD1 LEU A 90 8.869 41.550 19.577 1.00 0.00 ATOM 716 CD2 LEU A 90 10.444 42.952 20.937 1.00 0.00 ATOM 717 O LEU A 90 8.449 46.168 17.105 1.00 0.00 ATOM 718 C LEU A 90 9.310 46.149 17.988 1.00 0.00 ATOM 719 N ASN A 91 10.488 46.770 17.905 1.00 0.00 ATOM 720 CA ASN A 91 10.842 47.577 16.728 1.00 0.00 ATOM 721 CB ASN A 91 11.751 48.757 17.105 1.00 0.00 ATOM 722 CG ASN A 91 13.127 48.342 17.624 1.00 0.00 ATOM 723 ND2 ASN A 91 13.633 49.096 18.585 1.00 0.00 ATOM 724 OD1 ASN A 91 13.745 47.391 17.144 1.00 0.00 ATOM 725 O ASN A 91 11.634 45.523 15.750 1.00 0.00 ATOM 726 C ASN A 91 11.448 46.739 15.595 1.00 0.00 ATOM 727 N GLN A 92 11.715 47.376 14.451 1.00 0.00 ATOM 728 CA GLN A 92 12.167 46.630 13.265 1.00 0.00 ATOM 729 CB GLN A 92 12.198 47.536 12.030 1.00 0.00 ATOM 730 CG GLN A 92 10.735 47.787 11.556 1.00 0.00 ATOM 731 CD GLN A 92 10.613 48.618 10.266 1.00 0.00 ATOM 732 OE1 GLN A 92 11.606 49.131 9.750 1.00 0.00 ATOM 733 NE2 GLN A 92 9.374 48.776 9.775 1.00 0.00 ATOM 734 O GLN A 92 13.592 44.728 13.056 1.00 0.00 ATOM 735 C GLN A 92 13.470 45.879 13.492 1.00 0.00 ATOM 736 N GLU A 93 14.395 46.506 14.210 1.00 0.00 ATOM 737 CA GLU A 93 15.695 45.903 14.511 1.00 0.00 ATOM 738 CB GLU A 93 16.669 46.937 15.092 1.00 0.00 ATOM 739 CG GLU A 93 18.020 46.356 15.495 1.00 0.00 ATOM 740 CD GLU A 93 19.011 47.412 16.018 1.00 0.00 ATOM 741 OE1 GLU A 93 18.646 48.611 16.115 1.00 0.00 ATOM 742 OE2 GLU A 93 20.162 47.031 16.331 1.00 0.00 ATOM 743 O GLU A 93 16.223 43.665 15.290 1.00 0.00 ATOM 744 C GLU A 93 15.557 44.703 15.463 1.00 0.00 ATOM 745 N GLU A 94 14.681 44.853 16.446 1.00 0.00 ATOM 746 CA GLU A 94 14.358 43.752 17.363 1.00 0.00 ATOM 747 CB GLU A 94 13.453 44.276 18.490 1.00 0.00 ATOM 748 CG GLU A 94 14.187 45.270 19.401 1.00 0.00 ATOM 749 CD GLU A 94 13.273 46.020 20.353 1.00 0.00 ATOM 750 OE1 GLU A 94 12.094 46.260 20.044 1.00 0.00 ATOM 751 OE2 GLU A 94 13.740 46.356 21.453 1.00 0.00 ATOM 752 O GLU A 94 13.964 41.402 16.891 1.00 0.00 ATOM 753 C GLU A 94 13.693 42.586 16.625 1.00 0.00 ATOM 754 N VAL A 95 12.772 42.917 15.721 1.00 0.00 ATOM 755 CA VAL A 95 12.079 41.872 15.004 1.00 0.00 ATOM 756 CB VAL A 95 10.892 42.456 14.188 1.00 0.00 ATOM 757 CG1 VAL A 95 10.444 41.482 13.097 1.00 0.00 ATOM 758 CG2 VAL A 95 9.715 42.837 15.136 1.00 0.00 ATOM 759 O VAL A 95 13.049 39.898 14.087 1.00 0.00 ATOM 760 C VAL A 95 13.077 41.126 14.117 1.00 0.00 ATOM 761 N GLU A 96 13.971 41.849 13.451 1.00 0.00 ATOM 762 CA GLU A 96 14.937 41.166 12.603 1.00 0.00 ATOM 763 CB GLU A 96 15.778 42.141 11.753 1.00 0.00 ATOM 764 CG GLU A 96 16.746 41.366 10.837 1.00 0.00 ATOM 765 CD GLU A 96 17.656 42.250 10.006 1.00 0.00 ATOM 766 OE1 GLU A 96 18.721 41.752 9.584 1.00 0.00 ATOM 767 OE2 GLU A 96 17.319 43.423 9.784 1.00 0.00 ATOM 768 O GLU A 96 16.066 39.115 13.075 1.00 0.00 ATOM 769 C GLU A 96 15.844 40.274 13.444 1.00 0.00 ATOM 770 N THR A 97 16.368 40.813 14.545 1.00 0.00 ATOM 771 CA THR A 97 17.206 40.013 15.454 1.00 0.00 ATOM 772 CB THR A 97 17.652 40.854 16.640 1.00 0.00 ATOM 773 CG2 THR A 97 18.496 40.000 17.588 1.00 0.00 ATOM 774 OG1 THR A 97 18.414 41.982 16.155 1.00 0.00 ATOM 775 O THR A 97 16.994 37.629 15.823 1.00 0.00 ATOM 776 C THR A 97 16.453 38.747 15.883 1.00 0.00 ATOM 777 N LEU A 98 15.183 38.898 16.281 1.00 0.00 ATOM 778 CA LEU A 98 14.435 37.730 16.725 1.00 0.00 ATOM 779 CB LEU A 98 13.041 38.105 17.228 1.00 0.00 ATOM 780 CG LEU A 98 13.141 38.630 18.673 1.00 0.00 ATOM 781 CD1 LEU A 98 11.937 39.493 19.009 1.00 0.00 ATOM 782 CD2 LEU A 98 13.294 37.481 19.698 1.00 0.00 ATOM 783 O LEU A 98 14.365 35.498 15.836 1.00 0.00 ATOM 784 C LEU A 98 14.298 36.691 15.595 1.00 0.00 ATOM 785 N ALA A 99 14.082 37.182 14.379 1.00 0.00 ATOM 786 CA ALA A 99 13.865 36.306 13.235 1.00 0.00 ATOM 787 CB ALA A 99 12.973 37.061 12.198 1.00 0.00 ATOM 788 O ALA A 99 15.040 34.997 11.591 1.00 0.00 ATOM 789 C ALA A 99 15.133 35.790 12.540 1.00 0.00 ATOM 790 N ARG A 100 16.303 36.287 12.951 1.00 0.00 ATOM 791 CA ARG A 100 17.509 36.030 12.178 1.00 0.00 ATOM 792 CB ARG A 100 18.701 36.802 12.816 1.00 0.00 ATOM 793 CG ARG A 100 20.144 36.555 12.271 1.00 0.00 ATOM 794 CD ARG A 100 20.227 36.556 10.725 1.00 0.00 ATOM 795 NE ARG A 100 19.694 37.796 10.107 1.00 0.00 ATOM 796 CZ ARG A 100 19.319 37.869 8.829 1.00 0.00 ATOM 797 NH1 ARG A 100 19.384 36.782 8.035 1.00 0.00 ATOM 798 NH2 ARG A 100 18.841 39.009 8.351 1.00 0.00 ATOM 799 O ARG A 100 17.993 34.122 10.780 1.00 0.00 ATOM 800 C ARG A 100 17.760 34.511 11.936 1.00 0.00 ATOM 801 N PRO A 101 17.732 33.672 12.981 1.00 0.00 ATOM 802 CA PRO A 101 17.935 32.223 12.701 1.00 0.00 ATOM 803 CB PRO A 101 17.826 31.590 14.096 1.00 0.00 ATOM 804 CG PRO A 101 18.361 32.709 15.047 1.00 0.00 ATOM 805 CD PRO A 101 17.718 33.960 14.435 1.00 0.00 ATOM 806 O PRO A 101 17.253 30.829 10.832 1.00 0.00 ATOM 807 C PRO A 101 16.914 31.641 11.715 1.00 0.00 ATOM 808 N CYS A 102 15.649 32.046 11.859 1.00 0.00 ATOM 809 CA CYS A 102 14.648 31.550 10.896 1.00 0.00 ATOM 810 CB CYS A 102 13.260 32.033 11.304 1.00 0.00 ATOM 811 SG CYS A 102 12.625 31.210 12.778 1.00 0.00 ATOM 812 O CYS A 102 14.860 31.247 8.466 1.00 0.00 ATOM 813 C CYS A 102 14.945 32.023 9.449 1.00 0.00 ATOM 814 N LEU A 103 15.317 33.292 9.311 1.00 0.00 ATOM 815 CA LEU A 103 15.619 33.843 8.005 1.00 0.00 ATOM 816 CB LEU A 103 15.892 35.355 8.131 1.00 0.00 ATOM 817 CG LEU A 103 14.694 36.222 8.468 1.00 0.00 ATOM 818 CD1 LEU A 103 15.211 37.618 8.866 1.00 0.00 ATOM 819 CD2 LEU A 103 13.792 36.331 7.244 1.00 0.00 ATOM 820 O LEU A 103 16.836 32.800 6.224 1.00 0.00 ATOM 821 C LEU A 103 16.814 33.127 7.410 1.00 0.00 ATOM 822 N ASN A 104 17.812 32.831 8.246 1.00 0.00 ATOM 823 CA ASN A 104 18.965 32.077 7.731 1.00 0.00 ATOM 824 CB ASN A 104 20.031 31.917 8.822 1.00 0.00 ATOM 825 CG ASN A 104 20.694 33.214 9.201 1.00 0.00 ATOM 826 ND2 ASN A 104 21.361 33.179 10.365 1.00 0.00 ATOM 827 OD1 ASN A 104 20.694 34.203 8.444 1.00 0.00 ATOM 828 O ASN A 104 19.091 30.202 6.191 1.00 0.00 ATOM 829 C ASN A 104 18.584 30.668 7.223 1.00 0.00 ATOM 830 N MET A 105 17.689 30.011 7.963 1.00 0.00 ATOM 831 CA MET A 105 17.188 28.699 7.600 1.00 0.00 ATOM 832 CB MET A 105 16.182 28.205 8.640 1.00 0.00 ATOM 833 CG MET A 105 15.517 26.887 8.259 1.00 0.00 ATOM 834 SD MET A 105 16.756 25.404 8.399 1.00 0.00 ATOM 835 CE MET A 105 17.021 25.408 10.314 1.00 0.00 ATOM 836 O MET A 105 16.829 28.023 5.335 1.00 0.00 ATOM 837 C MET A 105 16.531 28.805 6.228 1.00 0.00 ATOM 838 N LEU A 106 15.657 29.797 6.067 1.00 0.00 ATOM 839 CA LEU A 106 15.003 30.040 4.777 1.00 0.00 ATOM 840 CB LEU A 106 14.082 31.248 4.866 1.00 0.00 ATOM 841 CG LEU A 106 13.347 31.648 3.588 1.00 0.00 ATOM 842 CD1 LEU A 106 12.522 30.520 2.945 1.00 0.00 ATOM 843 CD2 LEU A 106 12.438 32.861 3.863 1.00 0.00 ATOM 844 O LEU A 106 15.863 29.649 2.575 1.00 0.00 ATOM 845 C LEU A 106 16.000 30.249 3.636 1.00 0.00 ATOM 846 N ASN A 107 17.023 31.058 3.880 1.00 0.00 ATOM 847 CA ASN A 107 18.059 31.312 2.847 1.00 0.00 ATOM 848 CB ASN A 107 19.086 32.353 3.331 1.00 0.00 ATOM 849 CG ASN A 107 18.507 33.735 3.489 1.00 0.00 ATOM 850 ND2 ASN A 107 19.149 34.544 4.363 1.00 0.00 ATOM 851 OD1 ASN A 107 17.492 34.084 2.874 1.00 0.00 ATOM 852 O ASN A 107 19.077 29.733 1.315 1.00 0.00 ATOM 853 C ASN A 107 18.807 30.013 2.477 1.00 0.00 ATOM 854 N ARG A 108 19.145 29.213 3.469 1.00 0.00 ATOM 855 CA ARG A 108 19.980 28.040 3.209 1.00 0.00 ATOM 856 CB ARG A 108 20.700 27.595 4.472 1.00 0.00 ATOM 857 CG ARG A 108 21.586 26.377 4.253 1.00 0.00 ATOM 858 CD ARG A 108 22.867 26.705 3.522 1.00 0.00 ATOM 859 NE ARG A 108 23.878 25.699 3.834 1.00 0.00 ATOM 860 CZ ARG A 108 24.936 25.435 3.078 1.00 0.00 ATOM 861 NH1 ARG A 108 25.133 26.103 1.940 1.00 0.00 ATOM 862 NH2 ARG A 108 25.793 24.495 3.460 1.00 0.00 ATOM 863 O ARG A 108 19.737 26.185 1.659 1.00 0.00 ATOM 864 C ARG A 108 19.213 26.878 2.548 1.00 0.00 ATOM 865 N LEU A 109 17.963 26.674 2.961 1.00 0.00 ATOM 866 CA LEU A 109 17.128 25.702 2.287 1.00 0.00 ATOM 867 CB LEU A 109 15.770 25.596 3.022 1.00 0.00 ATOM 868 CG LEU A 109 15.788 24.842 4.357 1.00 0.00 ATOM 869 CD1 LEU A 109 14.407 25.043 5.064 1.00 0.00 ATOM 870 CD2 LEU A 109 16.003 23.337 4.182 1.00 0.00 ATOM 871 O LEU A 109 16.950 25.267 -0.055 1.00 0.00 ATOM 872 C LEU A 109 16.876 26.115 0.849 1.00 0.00 ATOM 873 N THR A 110 16.580 27.405 0.639 1.00 0.00 ATOM 874 CA THR A 110 16.268 27.879 -0.695 1.00 0.00 ATOM 875 CB THR A 110 15.645 29.282 -0.662 1.00 0.00 ATOM 876 CG2 THR A 110 15.276 29.725 -2.085 1.00 0.00 ATOM 877 OG1 THR A 110 14.450 29.234 0.151 1.00 0.00 ATOM 878 O THR A 110 17.364 27.332 -2.752 1.00 0.00 ATOM 879 C THR A 110 17.488 27.764 -1.604 1.00 0.00 ATOM 880 N TYR A 111 18.669 28.065 -1.069 1.00 0.00 ATOM 881 CA TYR A 111 19.887 27.977 -1.895 1.00 0.00 ATOM 882 CB TYR A 111 21.074 28.480 -1.102 1.00 0.00 ATOM 883 CG TYR A 111 22.332 28.538 -1.906 1.00 0.00 ATOM 884 CD1 TYR A 111 22.600 29.639 -2.703 1.00 0.00 ATOM 885 CD2 TYR A 111 23.244 27.488 -1.886 1.00 0.00 ATOM 886 CE1 TYR A 111 23.759 29.703 -3.469 1.00 0.00 ATOM 887 CE2 TYR A 111 24.418 27.547 -2.639 1.00 0.00 ATOM 888 CZ TYR A 111 24.658 28.670 -3.418 1.00 0.00 ATOM 889 OH TYR A 111 25.802 28.773 -4.203 1.00 0.00 ATOM 890 O TYR A 111 20.335 26.294 -3.568 1.00 0.00 ATOM 891 C TYR A 111 20.141 26.540 -2.376 1.00 0.00 ATOM 892 N GLU A 112 20.082 25.596 -1.444 1.00 0.00 ATOM 893 CA GLU A 112 20.342 24.200 -1.766 1.00 0.00 ATOM 894 CB GLU A 112 20.585 23.393 -0.486 1.00 0.00 ATOM 895 CG GLU A 112 21.802 23.857 0.300 1.00 0.00 ATOM 896 CD GLU A 112 23.107 23.668 -0.474 1.00 0.00 ATOM 897 OE1 GLU A 112 23.179 22.786 -1.355 1.00 0.00 ATOM 898 OE2 GLU A 112 24.066 24.418 -0.184 1.00 0.00 ATOM 899 O GLU A 112 19.519 22.900 -3.627 1.00 0.00 ATOM 900 C GLU A 112 19.231 23.604 -2.634 1.00 0.00 ATOM 901 N VAL A 113 17.972 23.873 -2.296 1.00 0.00 ATOM 902 CA VAL A 113 16.924 23.250 -3.067 1.00 0.00 ATOM 903 CB VAL A 113 15.529 23.420 -2.389 1.00 0.00 ATOM 904 CG1 VAL A 113 14.419 23.009 -3.364 1.00 0.00 ATOM 905 CG2 VAL A 113 15.479 22.597 -1.075 1.00 0.00 ATOM 906 O VAL A 113 16.770 22.972 -5.474 1.00 0.00 ATOM 907 C VAL A 113 16.907 23.757 -4.509 1.00 0.00 ATOM 908 N THR A 114 17.075 25.073 -4.679 1.00 0.00 ATOM 909 CA THR A 114 17.097 25.613 -6.050 1.00 0.00 ATOM 910 CB THR A 114 16.971 27.145 -6.062 1.00 0.00 ATOM 911 CG2 THR A 114 15.657 27.578 -5.481 1.00 0.00 ATOM 912 OG1 THR A 114 18.086 27.746 -5.359 1.00 0.00 ATOM 913 O THR A 114 18.197 24.828 -8.029 1.00 0.00 ATOM 914 C THR A 114 18.323 25.128 -6.850 1.00 0.00 ATOM 915 N GLU A 115 19.493 25.031 -6.213 1.00 0.00 ATOM 916 CA GLU A 115 20.681 24.517 -6.931 1.00 0.00 ATOM 917 CB GLU A 115 21.916 24.521 -6.041 1.00 0.00 ATOM 918 CG GLU A 115 23.202 24.031 -6.738 1.00 0.00 ATOM 919 CD GLU A 115 24.453 24.537 -6.032 1.00 0.00 ATOM 920 OE1 GLU A 115 24.713 25.766 -6.097 1.00 0.00 ATOM 921 OE2 GLU A 115 25.166 23.709 -5.422 1.00 0.00 ATOM 922 O GLU A 115 20.740 22.812 -8.620 1.00 0.00 ATOM 923 C GLU A 115 20.436 23.111 -7.468 1.00 0.00 ATOM 924 N ILE A 116 19.867 22.263 -6.619 1.00 0.00 ATOM 925 CA ILE A 116 19.653 20.868 -6.948 1.00 0.00 ATOM 926 CB ILE A 116 19.384 20.038 -5.670 1.00 0.00 ATOM 927 CG1 ILE A 116 20.643 20.043 -4.781 1.00 0.00 ATOM 928 CG2 ILE A 116 19.049 18.610 -6.065 1.00 0.00 ATOM 929 CD1 ILE A 116 20.391 19.575 -3.401 1.00 0.00 ATOM 930 O ILE A 116 18.664 20.049 -8.976 1.00 0.00 ATOM 931 C ILE A 116 18.518 20.720 -7.942 1.00 0.00 ATOM 932 N ALA A 117 17.385 21.342 -7.648 1.00 0.00 ATOM 933 CA ALA A 117 16.206 21.126 -8.461 1.00 0.00 ATOM 934 CB ALA A 117 14.936 21.686 -7.754 1.00 0.00 ATOM 935 O ALA A 117 15.786 21.163 -10.824 1.00 0.00 ATOM 936 C ALA A 117 16.339 21.721 -9.859 1.00 0.00 ATOM 937 N LEU A 118 17.025 22.858 -9.958 1.00 0.00 ATOM 938 CA LEU A 118 17.145 23.583 -11.241 1.00 0.00 ATOM 939 CB LEU A 118 17.049 25.084 -11.022 1.00 0.00 ATOM 940 CG LEU A 118 15.787 25.542 -10.314 1.00 0.00 ATOM 941 CD1 LEU A 118 15.886 27.048 -10.079 1.00 0.00 ATOM 942 CD2 LEU A 118 14.570 25.156 -11.104 1.00 0.00 ATOM 943 O LEU A 118 18.553 23.699 -13.182 1.00 0.00 ATOM 944 C LEU A 118 18.440 23.303 -12.009 1.00 0.00 ATOM 945 N ASP A 119 19.402 22.660 -11.359 1.00 0.00 ATOM 946 CA ASP A 119 20.699 22.370 -11.961 1.00 0.00 ATOM 947 CB ASP A 119 20.521 21.390 -13.143 1.00 0.00 ATOM 948 CG ASP A 119 21.843 20.787 -13.641 1.00 0.00 ATOM 949 OD1 ASP A 119 22.763 20.527 -12.838 1.00 0.00 ATOM 950 OD2 ASP A 119 21.934 20.534 -14.863 1.00 0.00 ATOM 951 O ASP A 119 21.906 23.749 -13.522 1.00 0.00 ATOM 952 C ASP A 119 21.383 23.662 -12.418 1.00 0.00 ATOM 953 N LEU A 120 21.338 24.669 -11.550 1.00 0.00 ATOM 954 CA LEU A 120 21.962 25.966 -11.761 1.00 0.00 ATOM 955 CB LEU A 120 20.920 26.987 -12.232 1.00 0.00 ATOM 956 CG LEU A 120 20.371 26.792 -13.650 1.00 0.00 ATOM 957 CD1 LEU A 120 19.105 27.601 -13.965 1.00 0.00 ATOM 958 CD2 LEU A 120 21.455 26.992 -14.725 1.00 0.00 ATOM 959 O LEU A 120 22.144 25.803 -9.362 1.00 0.00 ATOM 960 C LEU A 120 22.534 26.369 -10.397 1.00 0.00 ATOM 961 N PRO A 121 23.512 27.298 -10.372 1.00 0.00 ATOM 962 CA PRO A 121 23.875 27.878 -9.095 1.00 0.00 ATOM 963 CB PRO A 121 24.681 29.112 -9.507 1.00 0.00 ATOM 964 CG PRO A 121 25.433 28.613 -10.736 1.00 0.00 ATOM 965 CD PRO A 121 24.389 27.774 -11.467 1.00 0.00 ATOM 966 O PRO A 121 21.677 28.835 -8.716 1.00 0.00 ATOM 967 C PRO A 121 22.655 28.256 -8.236 1.00 0.00 ATOM 968 N GLY A 122 22.748 27.901 -6.965 1.00 0.00 ATOM 969 CA GLY A 122 21.705 28.178 -6.002 1.00 0.00 ATOM 970 O GLY A 122 22.115 30.548 -6.154 1.00 0.00 ATOM 971 C GLY A 122 21.293 29.635 -5.966 1.00 0.00 ATOM 972 N ILE A 123 20.015 29.857 -5.726 1.00 0.00 ATOM 973 CA ILE A 123 19.510 31.200 -5.566 1.00 0.00 ATOM 974 CB ILE A 123 18.052 31.279 -5.934 1.00 0.00 ATOM 975 CG1 ILE A 123 17.888 30.975 -7.437 1.00 0.00 ATOM 976 CG2 ILE A 123 17.440 32.634 -5.489 1.00 0.00 ATOM 977 CD1 ILE A 123 16.446 30.859 -7.864 1.00 0.00 ATOM 978 O ILE A 123 19.250 30.970 -3.191 1.00 0.00 ATOM 979 C ILE A 123 19.686 31.661 -4.131 1.00 0.00 ATOM 980 N ASN A 124 20.364 32.804 -3.968 1.00 0.00 ATOM 981 CA ASN A 124 20.590 33.351 -2.645 1.00 0.00 ATOM 982 CB ASN A 124 22.058 33.821 -2.501 1.00 0.00 ATOM 983 CG ASN A 124 22.381 34.334 -1.092 1.00 0.00 ATOM 984 ND2 ASN A 124 23.610 34.807 -0.919 1.00 0.00 ATOM 985 OD1 ASN A 124 21.547 34.301 -0.170 1.00 0.00 ATOM 986 O ASN A 124 19.711 35.551 -2.931 1.00 0.00 ATOM 987 C ASN A 124 19.608 34.473 -2.354 1.00 0.00 ATOM 988 N LEU A 125 18.632 34.220 -1.471 1.00 0.00 ATOM 989 CA LEU A 125 17.608 35.213 -1.145 1.00 0.00 ATOM 990 CB LEU A 125 16.540 34.596 -0.248 1.00 0.00 ATOM 991 CG LEU A 125 15.576 33.590 -0.897 1.00 0.00 ATOM 992 CD1 LEU A 125 14.833 32.802 0.197 1.00 0.00 ATOM 993 CD2 LEU A 125 14.603 34.219 -1.905 1.00 0.00 ATOM 994 O LEU A 125 17.594 37.549 -0.513 1.00 0.00 ATOM 995 C LEU A 125 18.160 36.448 -0.417 1.00 0.00 ATOM 996 N GLU A 126 19.226 36.235 0.336 1.00 0.00 ATOM 997 CA GLU A 126 19.869 37.298 1.112 1.00 0.00 ATOM 998 CB GLU A 126 20.495 38.340 0.176 1.00 0.00 ATOM 999 CG GLU A 126 21.518 37.724 -0.751 1.00 0.00 ATOM 1000 CD GLU A 126 22.334 38.770 -1.451 1.00 0.00 ATOM 1001 OE1 GLU A 126 23.266 39.298 -0.816 1.00 0.00 ATOM 1002 OE2 GLU A 126 22.039 39.060 -2.622 1.00 0.00 ATOM 1003 O GLU A 126 19.133 39.171 2.384 1.00 0.00 ATOM 1004 C GLU A 126 18.955 37.989 2.099 1.00 0.00 ATOM 1005 N PHE A 127 17.988 37.268 2.642 1.00 0.00 ATOM 1006 CA PHE A 127 17.132 37.859 3.663 1.00 0.00 ATOM 1007 CB PHE A 127 15.867 37.038 3.888 1.00 0.00 ATOM 1008 CG PHE A 127 14.911 37.028 2.714 1.00 0.00 ATOM 1009 CD1 PHE A 127 15.047 37.921 1.636 1.00 0.00 ATOM 1010 CD2 PHE A 127 13.852 36.126 2.695 1.00 0.00 ATOM 1011 CE1 PHE A 127 14.139 37.896 0.563 1.00 0.00 ATOM 1012 CE2 PHE A 127 12.939 36.103 1.640 1.00 0.00 ATOM 1013 CZ PHE A 127 13.067 36.977 0.576 1.00 0.00 ATOM 1014 O PHE A 127 18.821 37.257 5.254 1.00 0.00 ATOM 1015 C PHE A 127 17.869 38.023 4.971 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_564404227.pdb -s /var/tmp/to_scwrl_564404227.seq -o /var/tmp/from_scwrl_564404227.pdb > /var/tmp/scwrl_564404227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_564404227.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 125 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -31.855 # GDT_score(maxd=8.000,maxw=2.900)= -27.921 # GDT_score(maxd=8.000,maxw=3.200)= -26.438 # GDT_score(maxd=8.000,maxw=3.500)= -25.146 # GDT_score(maxd=10.000,maxw=3.800)= -29.563 # GDT_score(maxd=10.000,maxw=4.000)= -28.600 # GDT_score(maxd=10.000,maxw=4.200)= -27.694 # GDT_score(maxd=12.000,maxw=4.300)= -31.803 # GDT_score(maxd=12.000,maxw=4.500)= -30.809 # GDT_score(maxd=12.000,maxw=4.700)= -29.874 # GDT_score(maxd=14.000,maxw=5.200)= -31.278 # GDT_score(maxd=14.000,maxw=5.500)= -29.999 # command:# request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_975788784.pdb -s /var/tmp/to_scwrl_975788784.seq -o /var/tmp/from_scwrl_975788784.pdb > /var/tmp/scwrl_975788784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975788784.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 # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -28.226 # GDT_score(maxd=8.000,maxw=2.900)= -27.116 # GDT_score(maxd=8.000,maxw=3.200)= -25.866 # GDT_score(maxd=8.000,maxw=3.500)= -24.726 # GDT_score(maxd=10.000,maxw=3.800)= -27.252 # GDT_score(maxd=10.000,maxw=4.000)= -26.460 # GDT_score(maxd=10.000,maxw=4.200)= -25.678 # GDT_score(maxd=12.000,maxw=4.300)= -28.446 # GDT_score(maxd=12.000,maxw=4.500)= -27.621 # GDT_score(maxd=12.000,maxw=4.700)= -26.841 # GDT_score(maxd=14.000,maxw=5.200)= -27.662 # GDT_score(maxd=14.000,maxw=5.500)= -26.532 # command:# request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1374120902.pdb -s /var/tmp/to_scwrl_1374120902.seq -o /var/tmp/from_scwrl_1374120902.pdb > /var/tmp/scwrl_1374120902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374120902.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -30.040 # GDT_score(maxd=8.000,maxw=2.900)= -27.504 # GDT_score(maxd=8.000,maxw=3.200)= -26.135 # GDT_score(maxd=8.000,maxw=3.500)= -24.891 # GDT_score(maxd=10.000,maxw=3.800)= -28.165 # GDT_score(maxd=10.000,maxw=4.000)= -27.267 # GDT_score(maxd=10.000,maxw=4.200)= -26.417 # GDT_score(maxd=12.000,maxw=4.300)= -30.164 # GDT_score(maxd=12.000,maxw=4.500)= -29.235 # GDT_score(maxd=12.000,maxw=4.700)= -28.328 # GDT_score(maxd=14.000,maxw=5.200)= -29.648 # GDT_score(maxd=14.000,maxw=5.500)= -28.383 # command:# request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1104485133.pdb -s /var/tmp/to_scwrl_1104485133.seq -o /var/tmp/from_scwrl_1104485133.pdb > /var/tmp/scwrl_1104485133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1104485133.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -31.048 # GDT_score(maxd=8.000,maxw=2.900)= -29.200 # GDT_score(maxd=8.000,maxw=3.200)= -27.749 # GDT_score(maxd=8.000,maxw=3.500)= -26.395 # GDT_score(maxd=10.000,maxw=3.800)= -29.480 # GDT_score(maxd=10.000,maxw=4.000)= -28.570 # GDT_score(maxd=10.000,maxw=4.200)= -27.747 # GDT_score(maxd=12.000,maxw=4.300)= -31.079 # GDT_score(maxd=12.000,maxw=4.500)= -30.199 # GDT_score(maxd=12.000,maxw=4.700)= -29.364 # GDT_score(maxd=14.000,maxw=5.200)= -30.746 # GDT_score(maxd=14.000,maxw=5.500)= -29.507 # command:# request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1127012033.pdb -s /var/tmp/to_scwrl_1127012033.seq -o /var/tmp/from_scwrl_1127012033.pdb > /var/tmp/scwrl_1127012033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1127012033.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 T0383.try1-opt2.pdb looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -30.040 # GDT_score(maxd=8.000,maxw=2.900)= -27.494 # GDT_score(maxd=8.000,maxw=3.200)= -26.126 # GDT_score(maxd=8.000,maxw=3.500)= -24.882 # GDT_score(maxd=10.000,maxw=3.800)= -28.157 # GDT_score(maxd=10.000,maxw=4.000)= -27.259 # GDT_score(maxd=10.000,maxw=4.200)= -26.407 # GDT_score(maxd=12.000,maxw=4.300)= -30.157 # GDT_score(maxd=12.000,maxw=4.500)= -29.226 # GDT_score(maxd=12.000,maxw=4.700)= -28.319 # GDT_score(maxd=14.000,maxw=5.200)= -29.641 # GDT_score(maxd=14.000,maxw=5.500)= -28.376 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0383.try1-real.pdb for output Error: Couldn't open file T0383.try1-real.pdb for output superimposing iter= 0 total_weight= 1510.000 rmsd (weighted)= 11.007 (unweighted)= 15.068 superimposing iter= 1 total_weight= 1893.312 rmsd (weighted)= 7.831 (unweighted)= 15.292 superimposing iter= 2 total_weight= 1282.587 rmsd (weighted)= 6.825 (unweighted)= 15.634 superimposing iter= 3 total_weight= 1167.452 rmsd (weighted)= 6.268 (unweighted)= 15.989 superimposing iter= 4 total_weight= 1118.234 rmsd (weighted)= 5.906 (unweighted)= 16.306 superimposing iter= 5 total_weight= 1126.414 rmsd (weighted)= 5.560 (unweighted)= 16.584 EXPDTA T0383.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0383.try1-opt2.pdb ATOM 1 N SER A 1 23.991 41.862 33.908 1.00 0.00 ATOM 2 CA SER A 1 24.386 40.608 34.638 1.00 0.00 ATOM 3 CB SER A 1 25.837 40.702 35.117 1.00 0.00 ATOM 4 OG SER A 1 25.985 41.717 36.095 1.00 0.00 ATOM 5 O SER A 1 23.173 39.175 36.126 1.00 0.00 ATOM 6 C SER A 1 23.504 40.328 35.849 1.00 0.00 ATOM 7 N ASN A 2 23.167 41.400 36.579 1.00 0.00 ATOM 8 CA ASN A 2 22.372 41.250 37.795 1.00 0.00 ATOM 9 CB ASN A 2 23.014 42.120 38.875 1.00 0.00 ATOM 10 CG ASN A 2 24.431 41.690 39.203 1.00 0.00 ATOM 11 ND2 ASN A 2 25.267 42.651 39.582 1.00 0.00 ATOM 12 OD1 ASN A 2 24.767 40.509 39.117 1.00 0.00 ATOM 13 O ASN A 2 19.995 40.943 37.975 1.00 0.00 ATOM 14 C ASN A 2 20.917 41.683 37.623 1.00 0.00 ATOM 15 N ALA A 3 20.842 43.032 37.107 1.00 0.00 ATOM 16 CA ALA A 3 19.536 43.647 36.892 1.00 0.00 ATOM 17 CB ALA A 3 19.671 45.160 36.805 1.00 0.00 ATOM 18 O ALA A 3 17.661 42.985 35.534 1.00 0.00 ATOM 19 C ALA A 3 18.881 43.154 35.607 1.00 0.00 ATOM 20 N MET A 4 19.706 42.928 34.592 1.00 0.00 ATOM 21 CA MET A 4 19.227 42.439 33.310 1.00 0.00 ATOM 22 CB MET A 4 19.301 43.550 32.260 1.00 0.00 ATOM 23 CG MET A 4 20.710 44.050 31.986 1.00 0.00 ATOM 24 SD MET A 4 20.752 45.364 30.752 1.00 0.00 ATOM 25 CE MET A 4 19.977 46.703 31.655 1.00 0.00 ATOM 26 O MET A 4 21.274 41.301 32.896 1.00 0.00 ATOM 27 C MET A 4 20.044 41.277 32.812 1.00 0.00 ATOM 28 N ASN A 5 19.374 40.272 32.272 1.00 0.00 ATOM 29 CA ASN A 5 20.087 39.125 31.768 1.00 0.00 ATOM 30 CB ASN A 5 20.157 38.028 32.832 1.00 0.00 ATOM 31 CG ASN A 5 20.931 38.457 34.062 1.00 0.00 ATOM 32 ND2 ASN A 5 20.211 38.782 35.129 1.00 0.00 ATOM 33 OD1 ASN A 5 22.162 38.496 34.052 1.00 0.00 ATOM 34 O ASN A 5 18.158 38.704 30.369 1.00 0.00 ATOM 35 C ASN A 5 19.390 38.680 30.468 1.00 0.00 ATOM 36 N LEU A 6 20.208 38.359 29.497 1.00 0.00 ATOM 37 CA LEU A 6 19.673 37.820 28.230 1.00 0.00 ATOM 38 CB LEU A 6 20.016 38.757 27.079 1.00 0.00 ATOM 39 CG LEU A 6 19.584 38.339 25.671 1.00 0.00 ATOM 40 CD1 LEU A 6 18.071 38.204 25.604 1.00 0.00 ATOM 41 CD2 LEU A 6 20.064 39.378 24.670 1.00 0.00 ATOM 42 O LEU A 6 21.626 36.448 28.041 1.00 0.00 ATOM 43 C LEU A 6 20.402 36.514 27.950 1.00 0.00 ATOM 44 N LYS A 7 19.664 35.474 27.597 1.00 0.00 ATOM 45 CA LYS A 7 20.296 34.193 27.339 1.00 0.00 ATOM 46 CB LYS A 7 20.449 33.412 28.646 1.00 0.00 ATOM 47 CG LYS A 7 21.184 32.091 28.498 1.00 0.00 ATOM 48 CD LYS A 7 21.482 31.470 29.853 1.00 0.00 ATOM 49 CE LYS A 7 22.223 30.150 29.705 1.00 0.00 ATOM 50 NZ LYS A 7 22.456 29.493 31.020 1.00 0.00 ATOM 51 O LYS A 7 18.331 33.001 26.608 1.00 0.00 ATOM 52 C LYS A 7 19.500 33.326 26.367 1.00 0.00 ATOM 53 N ARG A 8 20.118 33.021 25.238 1.00 0.00 ATOM 54 CA ARG A 8 19.492 32.181 24.244 1.00 0.00 ATOM 55 CB ARG A 8 20.192 32.333 22.892 1.00 0.00 ATOM 56 CG ARG A 8 19.612 31.456 21.791 1.00 0.00 ATOM 57 CD ARG A 8 20.235 31.782 20.443 1.00 0.00 ATOM 58 NE ARG A 8 21.681 31.569 20.442 1.00 0.00 ATOM 59 CZ ARG A 8 22.262 30.396 20.227 1.00 0.00 ATOM 60 NH1 ARG A 8 23.586 30.299 20.245 1.00 0.00 ATOM 61 NH2 ARG A 8 21.523 29.321 19.994 1.00 0.00 ATOM 62 O ARG A 8 20.733 30.215 24.863 1.00 0.00 ATOM 63 C ARG A 8 19.630 30.751 24.762 1.00 0.00 ATOM 64 N GLU A 9 18.501 30.139 25.101 1.00 0.00 ATOM 65 CA GLU A 9 18.509 28.793 25.637 1.00 0.00 ATOM 66 CB GLU A 9 17.331 28.588 26.593 1.00 0.00 ATOM 67 CG GLU A 9 17.254 27.194 27.193 1.00 0.00 ATOM 68 CD GLU A 9 16.178 27.074 28.254 1.00 0.00 ATOM 69 OE1 GLU A 9 15.501 28.087 28.530 1.00 0.00 ATOM 70 OE2 GLU A 9 16.011 25.967 28.808 1.00 0.00 ATOM 71 O GLU A 9 19.066 26.732 24.610 1.00 0.00 ATOM 72 C GLU A 9 18.398 27.762 24.533 1.00 0.00 ATOM 73 N GLN A 10 17.573 28.031 23.511 1.00 0.00 ATOM 74 CA GLN A 10 17.357 27.142 22.375 1.00 0.00 ATOM 75 CB GLN A 10 16.364 26.038 22.742 1.00 0.00 ATOM 76 CG GLN A 10 16.059 25.075 21.606 1.00 0.00 ATOM 77 CD GLN A 10 15.190 23.912 22.045 1.00 0.00 ATOM 78 OE1 GLN A 10 14.708 23.878 23.177 1.00 0.00 ATOM 79 NE2 GLN A 10 14.988 22.954 21.148 1.00 0.00 ATOM 80 O GLN A 10 15.921 28.684 21.206 1.00 0.00 ATOM 81 C GLN A 10 16.767 27.785 21.126 1.00 0.00 ATOM 82 N GLU A 11 17.209 27.311 19.972 1.00 0.00 ATOM 83 CA GLU A 11 16.715 27.821 18.696 1.00 0.00 ATOM 84 CB GLU A 11 17.853 28.518 17.948 1.00 0.00 ATOM 85 CG GLU A 11 17.454 29.077 16.592 1.00 0.00 ATOM 86 CD GLU A 11 18.591 29.807 15.905 1.00 0.00 ATOM 87 OE1 GLU A 11 19.709 29.824 16.462 1.00 0.00 ATOM 88 OE2 GLU A 11 18.365 30.362 14.810 1.00 0.00 ATOM 89 O GLU A 11 16.969 25.549 17.957 1.00 0.00 ATOM 90 C GLU A 11 16.250 26.550 17.992 1.00 0.00 ATOM 91 N PHE A 12 15.047 26.627 17.410 1.00 0.00 ATOM 92 CA PHE A 12 14.476 25.490 16.697 1.00 0.00 ATOM 93 CB PHE A 12 13.901 24.482 17.694 1.00 0.00 ATOM 94 CG PHE A 12 12.791 25.033 18.542 1.00 0.00 ATOM 95 CD1 PHE A 12 11.470 24.897 18.153 1.00 0.00 ATOM 96 CD2 PHE A 12 13.068 25.687 19.730 1.00 0.00 ATOM 97 CE1 PHE A 12 10.448 25.405 18.933 1.00 0.00 ATOM 98 CE2 PHE A 12 12.046 26.194 20.511 1.00 0.00 ATOM 99 CZ PHE A 12 10.741 26.054 20.117 1.00 0.00 ATOM 100 O PHE A 12 13.023 27.092 15.683 1.00 0.00 ATOM 101 C PHE A 12 13.353 25.908 15.766 1.00 0.00 ATOM 102 N VAL A 13 13.000 25.015 14.905 1.00 0.00 ATOM 103 CA VAL A 13 11.916 25.254 13.969 1.00 0.00 ATOM 104 CB VAL A 13 12.312 24.862 12.533 1.00 0.00 ATOM 105 CG1 VAL A 13 11.150 25.087 11.580 1.00 0.00 ATOM 106 CG2 VAL A 13 13.491 25.696 12.059 1.00 0.00 ATOM 107 O VAL A 13 10.812 23.187 14.466 1.00 0.00 ATOM 108 C VAL A 13 10.730 24.411 14.425 1.00 0.00 ATOM 109 N SER A 14 9.656 25.082 14.774 1.00 0.00 ATOM 110 CA SER A 14 8.472 24.372 15.243 1.00 0.00 ATOM 111 CB SER A 14 7.553 25.334 15.996 1.00 0.00 ATOM 112 OG SER A 14 7.045 26.337 15.132 1.00 0.00 ATOM 113 O SER A 14 7.063 22.730 14.273 1.00 0.00 ATOM 114 C SER A 14 7.697 23.767 14.104 1.00 0.00 ATOM 115 N GLN A 15 7.810 24.364 12.924 1.00 0.00 ATOM 116 CA GLN A 15 7.034 23.886 11.790 1.00 0.00 ATOM 117 CB GLN A 15 5.707 24.632 11.712 1.00 0.00 ATOM 118 CG GLN A 15 4.996 24.515 10.357 1.00 0.00 ATOM 119 CD GLN A 15 4.621 23.088 9.987 1.00 0.00 ATOM 120 OE1 GLN A 15 4.830 22.654 8.846 1.00 0.00 ATOM 121 NE2 GLN A 15 4.052 22.353 10.942 1.00 0.00 ATOM 122 O GLN A 15 8.219 25.471 10.417 1.00 0.00 ATOM 123 C GLN A 15 7.685 24.357 10.500 1.00 0.00 ATOM 124 N TYR A 16 7.609 23.517 9.484 1.00 0.00 ATOM 125 CA TYR A 16 8.211 23.831 8.203 1.00 0.00 ATOM 126 CB TYR A 16 9.607 23.215 8.101 1.00 0.00 ATOM 127 CG TYR A 16 10.301 23.485 6.786 1.00 0.00 ATOM 128 CD1 TYR A 16 10.854 24.730 6.515 1.00 0.00 ATOM 129 CD2 TYR A 16 10.402 22.493 5.818 1.00 0.00 ATOM 130 CE1 TYR A 16 11.490 24.985 5.314 1.00 0.00 ATOM 131 CE2 TYR A 16 11.034 22.731 4.613 1.00 0.00 ATOM 132 CZ TYR A 16 11.581 23.990 4.367 1.00 0.00 ATOM 133 OH TYR A 16 12.214 24.241 3.171 1.00 0.00 ATOM 134 O TYR A 16 6.962 22.104 7.151 1.00 0.00 ATOM 135 C TYR A 16 7.347 23.273 7.106 1.00 0.00 ATOM 136 N HIS A 17 7.069 24.090 6.103 1.00 0.00 ATOM 137 CA HIS A 17 6.250 23.626 5.009 1.00 0.00 ATOM 138 CB HIS A 17 4.792 24.035 5.227 1.00 0.00 ATOM 139 CG HIS A 17 3.871 23.590 4.135 1.00 0.00 ATOM 140 CD2 HIS A 17 3.189 24.238 3.023 1.00 0.00 ATOM 141 ND1 HIS A 17 3.458 22.283 3.993 1.00 0.00 ATOM 142 CE1 HIS A 17 2.641 22.193 2.929 1.00 0.00 ATOM 143 NE2 HIS A 17 2.475 23.363 2.342 1.00 0.00 ATOM 144 O HIS A 17 6.915 25.436 3.567 1.00 0.00 ATOM 145 C HIS A 17 6.718 24.220 3.689 1.00 0.00 ATOM 146 N PHE A 18 6.915 23.346 2.714 1.00 0.00 ATOM 147 CA PHE A 18 7.322 23.758 1.376 1.00 0.00 ATOM 148 CB PHE A 18 8.789 23.399 1.128 1.00 0.00 ATOM 149 CG PHE A 18 9.288 23.795 -0.233 1.00 0.00 ATOM 150 CD1 PHE A 18 9.599 25.113 -0.515 1.00 0.00 ATOM 151 CD2 PHE A 18 9.447 22.849 -1.230 1.00 0.00 ATOM 152 CE1 PHE A 18 10.057 25.478 -1.766 1.00 0.00 ATOM 153 CE2 PHE A 18 9.907 23.212 -2.481 1.00 0.00 ATOM 154 CZ PHE A 18 10.211 24.520 -2.752 1.00 0.00 ATOM 155 O PHE A 18 6.301 21.795 0.441 1.00 0.00 ATOM 156 C PHE A 18 6.444 23.013 0.366 1.00 0.00 ATOM 157 N ASP A 19 5.851 23.735 -0.574 1.00 0.00 ATOM 158 CA ASP A 19 5.010 23.082 -1.566 1.00 0.00 ATOM 159 CB ASP A 19 3.536 23.305 -1.220 1.00 0.00 ATOM 160 CG ASP A 19 2.600 22.547 -2.138 1.00 0.00 ATOM 161 OD1 ASP A 19 3.088 21.938 -3.114 1.00 0.00 ATOM 162 OD2 ASP A 19 1.378 22.560 -1.885 1.00 0.00 ATOM 163 O ASP A 19 5.264 24.846 -3.141 1.00 0.00 ATOM 164 C ASP A 19 5.240 23.630 -2.954 1.00 0.00 ATOM 165 N ALA A 20 5.444 22.727 -3.911 1.00 0.00 ATOM 166 CA ALA A 20 5.633 23.079 -5.318 1.00 0.00 ATOM 167 CB ALA A 20 7.034 22.695 -5.769 1.00 0.00 ATOM 168 O ALA A 20 4.896 21.312 -6.799 1.00 0.00 ATOM 169 C ALA A 20 4.576 22.294 -6.139 1.00 0.00 ATOM 170 N ARG A 21 3.300 22.766 -6.100 1.00 0.00 ATOM 171 CA ARG A 21 2.202 22.122 -6.815 1.00 0.00 ATOM 172 CB ARG A 21 0.852 22.611 -6.286 1.00 0.00 ATOM 173 CG ARG A 21 0.525 22.131 -4.882 1.00 0.00 ATOM 174 CD ARG A 21 -0.786 22.721 -4.388 1.00 0.00 ATOM 175 NE ARG A 21 -0.692 24.164 -4.181 1.00 0.00 ATOM 176 CZ ARG A 21 -1.683 24.917 -3.715 1.00 0.00 ATOM 177 NH1 ARG A 21 -1.508 26.222 -3.560 1.00 0.00 ATOM 178 NH2 ARG A 21 -2.847 24.364 -3.405 1.00 0.00 ATOM 179 O ARG A 21 1.618 21.775 -9.125 1.00 0.00 ATOM 180 C ARG A 21 2.264 22.436 -8.312 1.00 0.00 ATOM 181 N ASN A 22 3.059 23.434 -8.678 1.00 0.00 ATOM 182 CA ASN A 22 3.192 23.825 -10.079 1.00 0.00 ATOM 183 CB ASN A 22 2.414 24.955 -10.490 1.00 0.00 ATOM 184 CG ASN A 22 2.779 25.457 -11.860 1.00 0.00 ATOM 185 ND2 ASN A 22 3.613 26.477 -11.915 1.00 0.00 ATOM 186 OD1 ASN A 22 2.301 24.922 -12.861 1.00 0.00 ATOM 187 O ASN A 22 5.466 23.593 -10.836 1.00 0.00 ATOM 188 C ASN A 22 4.353 23.072 -10.721 1.00 0.00 ATOM 189 N PHE A 23 4.075 21.844 -11.148 1.00 0.00 ATOM 190 CA PHE A 23 5.075 20.976 -11.759 1.00 0.00 ATOM 191 CB PHE A 23 4.433 19.670 -12.231 1.00 0.00 ATOM 192 CG PHE A 23 5.407 18.703 -12.842 1.00 0.00 ATOM 193 CD1 PHE A 23 6.240 17.938 -12.044 1.00 0.00 ATOM 194 CD2 PHE A 23 5.489 18.557 -14.216 1.00 0.00 ATOM 195 CE1 PHE A 23 7.136 17.049 -12.608 1.00 0.00 ATOM 196 CE2 PHE A 23 6.385 17.668 -14.780 1.00 0.00 ATOM 197 CZ PHE A 23 7.206 16.916 -13.981 1.00 0.00 ATOM 198 O PHE A 23 6.828 21.547 -13.240 1.00 0.00 ATOM 199 C PHE A 23 5.645 21.744 -12.947 1.00 0.00 ATOM 200 N GLU A 24 4.808 22.705 -13.609 1.00 0.00 ATOM 201 CA GLU A 24 5.199 23.412 -14.828 1.00 0.00 ATOM 202 CB GLU A 24 3.962 23.869 -15.602 1.00 0.00 ATOM 203 CG GLU A 24 3.133 22.731 -16.176 1.00 0.00 ATOM 204 CD GLU A 24 1.880 23.220 -16.876 1.00 0.00 ATOM 205 OE1 GLU A 24 1.647 24.446 -16.891 1.00 0.00 ATOM 206 OE2 GLU A 24 1.131 22.374 -17.410 1.00 0.00 ATOM 207 O GLU A 24 6.598 25.174 -15.650 1.00 0.00 ATOM 208 C GLU A 24 6.060 24.661 -14.666 1.00 0.00 ATOM 209 N TRP A 25 6.252 25.107 -13.426 1.00 0.00 ATOM 210 CA TRP A 25 7.064 26.298 -13.193 1.00 0.00 ATOM 211 CB TRP A 25 7.112 26.630 -11.700 1.00 0.00 ATOM 212 CG TRP A 25 7.886 25.635 -10.890 1.00 0.00 ATOM 213 CD1 TRP A 25 7.393 24.525 -10.269 1.00 0.00 ATOM 214 CD2 TRP A 25 9.290 25.662 -10.610 1.00 0.00 ATOM 215 CE2 TRP A 25 9.578 24.535 -9.815 1.00 0.00 ATOM 216 CE3 TRP A 25 10.333 26.527 -10.955 1.00 0.00 ATOM 217 NE1 TRP A 25 8.403 23.856 -9.620 1.00 0.00 ATOM 218 CZ2 TRP A 25 10.866 24.252 -9.359 1.00 0.00 ATOM 219 CZ3 TRP A 25 11.607 26.244 -10.501 1.00 0.00 ATOM 220 CH2 TRP A 25 11.865 25.116 -9.712 1.00 0.00 ATOM 221 O TRP A 25 9.159 27.089 -14.049 1.00 0.00 ATOM 222 C TRP A 25 8.501 26.116 -13.678 1.00 0.00 ATOM 223 N GLU A 26 8.984 24.874 -13.679 1.00 0.00 ATOM 224 CA GLU A 26 10.340 24.591 -14.139 1.00 0.00 ATOM 225 CB GLU A 26 10.643 23.095 -14.026 1.00 0.00 ATOM 226 CG GLU A 26 12.055 22.714 -14.442 1.00 0.00 ATOM 227 CD GLU A 26 12.328 21.232 -14.285 1.00 0.00 ATOM 228 OE1 GLU A 26 11.418 20.504 -13.838 1.00 0.00 ATOM 229 OE2 GLU A 26 13.454 20.797 -14.610 1.00 0.00 ATOM 230 O GLU A 26 11.459 25.699 -15.941 1.00 0.00 ATOM 231 C GLU A 26 10.486 25.012 -15.587 1.00 0.00 ATOM 232 N ASN A 27 9.406 24.628 -16.495 1.00 0.00 ATOM 233 CA ASN A 27 9.558 25.011 -17.893 1.00 0.00 ATOM 234 CB ASN A 27 8.641 24.167 -18.782 1.00 0.00 ATOM 235 CG ASN A 27 9.092 22.723 -18.877 1.00 0.00 ATOM 236 ND2 ASN A 27 8.167 21.839 -19.233 1.00 0.00 ATOM 237 OD1 ASN A 27 10.258 22.409 -18.637 1.00 0.00 ATOM 238 O ASN A 27 9.738 27.168 -18.921 1.00 0.00 ATOM 239 C ASN A 27 9.192 26.484 -18.058 1.00 0.00 ATOM 240 N GLU A 28 8.271 26.972 -17.232 1.00 0.00 ATOM 241 CA GLU A 28 7.847 28.371 -17.303 1.00 0.00 ATOM 242 CB GLU A 28 6.746 28.650 -16.279 1.00 0.00 ATOM 243 CG GLU A 28 5.419 27.980 -16.597 1.00 0.00 ATOM 244 CD GLU A 28 4.368 28.236 -15.534 1.00 0.00 ATOM 245 OE1 GLU A 28 4.694 28.892 -14.522 1.00 0.00 ATOM 246 OE2 GLU A 28 3.219 27.782 -15.713 1.00 0.00 ATOM 247 O GLU A 28 9.898 28.991 -16.227 1.00 0.00 ATOM 248 C GLU A 28 8.996 29.322 -16.996 1.00 0.00 ATOM 249 N ASN A 29 8.969 30.499 -17.608 1.00 0.00 ATOM 250 CA ASN A 29 10.016 31.487 -17.387 1.00 0.00 ATOM 251 CB ASN A 29 9.808 32.696 -18.302 1.00 0.00 ATOM 252 CG ASN A 29 11.005 33.628 -18.315 1.00 0.00 ATOM 253 ND2 ASN A 29 10.764 34.893 -18.645 1.00 0.00 ATOM 254 OD1 ASN A 29 12.128 33.216 -18.029 1.00 0.00 ATOM 255 O ASN A 29 8.852 31.874 -15.345 1.00 0.00 ATOM 256 C ASN A 29 9.940 31.908 -15.919 1.00 0.00 ATOM 257 N GLY A 30 11.407 32.285 -15.626 1.00 0.00 ATOM 258 CA GLY A 30 11.524 32.659 -14.217 1.00 0.00 ATOM 259 O GLY A 30 12.118 34.984 -13.982 1.00 0.00 ATOM 260 C GLY A 30 11.218 34.143 -14.041 1.00 0.00 ATOM 261 N ALA A 31 9.929 34.447 -13.937 1.00 0.00 ATOM 262 CA ALA A 31 9.455 35.812 -13.752 1.00 0.00 ATOM 263 CB ALA A 31 8.730 36.288 -15.002 1.00 0.00 ATOM 264 O ALA A 31 7.302 36.115 -12.693 1.00 0.00 ATOM 265 C ALA A 31 8.489 35.799 -12.554 1.00 0.00 ATOM 266 N PRO A 32 9.004 35.452 -11.353 1.00 0.00 ATOM 267 CA PRO A 32 8.262 35.362 -10.092 1.00 0.00 ATOM 268 CB PRO A 32 9.179 34.549 -9.177 1.00 0.00 ATOM 269 CG PRO A 32 10.557 34.881 -9.640 1.00 0.00 ATOM 270 CD PRO A 32 10.475 35.016 -11.134 1.00 0.00 ATOM 271 O PRO A 32 8.561 37.666 -9.471 1.00 0.00 ATOM 272 C PRO A 32 7.912 36.633 -9.337 1.00 0.00 ATOM 273 N GLU A 33 6.813 36.560 -8.601 1.00 0.00 ATOM 274 CA GLU A 33 6.395 37.657 -7.750 1.00 0.00 ATOM 275 CB GLU A 33 4.959 37.968 -8.138 1.00 0.00 ATOM 276 CG GLU A 33 4.281 39.026 -7.265 1.00 0.00 ATOM 277 CD GLU A 33 4.771 40.445 -7.514 1.00 0.00 ATOM 278 OE1 GLU A 33 5.515 40.694 -8.490 1.00 0.00 ATOM 279 OE2 GLU A 33 4.411 41.321 -6.706 1.00 0.00 ATOM 280 O GLU A 33 5.961 35.922 -6.179 1.00 0.00 ATOM 281 C GLU A 33 6.553 36.988 -6.397 1.00 0.00 ATOM 282 N THR A 34 7.400 37.502 -5.555 1.00 0.00 ATOM 283 CA THR A 34 7.631 36.903 -4.248 1.00 0.00 ATOM 284 CB THR A 34 9.131 36.793 -3.913 1.00 0.00 ATOM 285 CG2 THR A 34 9.323 36.191 -2.530 1.00 0.00 ATOM 286 OG1 THR A 34 9.778 35.954 -4.878 1.00 0.00 ATOM 287 O THR A 34 7.360 38.922 -3.078 1.00 0.00 ATOM 288 C THR A 34 7.008 37.767 -3.195 1.00 0.00 ATOM 289 N LYS A 35 6.082 37.180 -2.482 1.00 0.00 ATOM 290 CA LYS A 35 5.346 37.863 -1.428 1.00 0.00 ATOM 291 CB LYS A 35 3.863 37.605 -1.575 1.00 0.00 ATOM 292 CG LYS A 35 3.034 38.436 -0.619 1.00 0.00 ATOM 293 CD LYS A 35 1.558 38.083 -0.694 1.00 0.00 ATOM 294 CE LYS A 35 0.794 38.654 0.494 1.00 0.00 ATOM 295 NZ LYS A 35 -0.684 38.701 0.262 1.00 0.00 ATOM 296 O LYS A 35 6.104 36.127 0.032 1.00 0.00 ATOM 297 C LYS A 35 5.920 37.338 -0.119 1.00 0.00 ATOM 298 N VAL A 36 6.207 38.248 0.803 1.00 0.00 ATOM 299 CA VAL A 36 6.664 37.901 2.150 1.00 0.00 ATOM 300 CB VAL A 36 8.020 38.566 2.450 1.00 0.00 ATOM 301 CG1 VAL A 36 8.492 38.206 3.850 1.00 0.00 ATOM 302 CG2 VAL A 36 9.072 38.101 1.454 1.00 0.00 ATOM 303 O VAL A 36 5.397 39.519 3.384 1.00 0.00 ATOM 304 C VAL A 36 5.742 38.337 3.303 1.00 0.00 ATOM 305 N ASP A 37 5.362 37.411 4.150 1.00 0.00 ATOM 306 CA ASP A 37 4.518 37.743 5.300 1.00 0.00 ATOM 307 CB ASP A 37 3.201 36.974 5.182 1.00 0.00 ATOM 308 CG ASP A 37 2.204 37.358 6.257 1.00 0.00 ATOM 309 OD1 ASP A 37 2.570 38.144 7.155 1.00 0.00 ATOM 310 OD2 ASP A 37 1.055 36.871 6.202 1.00 0.00 ATOM 311 O ASP A 37 5.873 36.276 6.665 1.00 0.00 ATOM 312 C ASP A 37 5.239 37.340 6.585 1.00 0.00 ATOM 313 N VAL A 38 5.197 38.224 7.535 1.00 0.00 ATOM 314 CA VAL A 38 5.914 38.006 8.786 1.00 0.00 ATOM 315 CB VAL A 38 7.058 39.014 9.007 1.00 0.00 ATOM 316 CG1 VAL A 38 7.726 38.774 10.353 1.00 0.00 ATOM 317 CG2 VAL A 38 8.109 38.873 7.916 1.00 0.00 ATOM 318 O VAL A 38 4.115 39.042 9.992 1.00 0.00 ATOM 319 C VAL A 38 4.952 38.138 9.961 1.00 0.00 ATOM 320 N ASN A 39 5.086 37.239 10.888 1.00 0.00 ATOM 321 CA ASN A 39 4.233 37.268 12.071 1.00 0.00 ATOM 322 CB ASN A 39 3.099 36.249 11.932 1.00 0.00 ATOM 323 CG ASN A 39 2.194 36.545 10.752 1.00 0.00 ATOM 324 ND2 ASN A 39 2.370 35.795 9.670 1.00 0.00 ATOM 325 OD1 ASN A 39 1.346 37.434 10.816 1.00 0.00 ATOM 326 O ASN A 39 6.111 36.265 13.160 1.00 0.00 ATOM 327 C ASN A 39 5.148 37.027 13.261 1.00 0.00 ATOM 328 N PHE A 40 4.769 37.594 14.393 1.00 0.00 ATOM 329 CA PHE A 40 5.520 37.424 15.632 1.00 0.00 ATOM 330 CB PHE A 40 6.337 38.680 15.942 1.00 0.00 ATOM 331 CG PHE A 40 7.381 38.994 14.908 1.00 0.00 ATOM 332 CD1 PHE A 40 7.098 39.848 13.856 1.00 0.00 ATOM 333 CD2 PHE A 40 8.645 38.438 14.989 1.00 0.00 ATOM 334 CE1 PHE A 40 8.059 40.137 12.906 1.00 0.00 ATOM 335 CE2 PHE A 40 9.607 38.727 14.039 1.00 0.00 ATOM 336 CZ PHE A 40 9.318 39.573 13.000 1.00 0.00 ATOM 337 O PHE A 40 3.576 37.847 16.959 1.00 0.00 ATOM 338 C PHE A 40 4.591 37.172 16.814 1.00 0.00 ATOM 339 N GLN A 41 4.963 36.238 17.659 1.00 0.00 ATOM 340 CA GLN A 41 4.246 36.006 18.919 1.00 0.00 ATOM 341 CB GLN A 41 3.343 34.784 18.796 1.00 0.00 ATOM 342 CG GLN A 41 2.616 34.450 20.083 1.00 0.00 ATOM 343 CD GLN A 41 1.689 33.252 19.985 1.00 0.00 ATOM 344 OE1 GLN A 41 2.076 32.089 19.963 1.00 0.00 ATOM 345 NE2 GLN A 41 0.384 33.503 19.936 1.00 0.00 ATOM 346 O GLN A 41 6.061 34.753 19.855 1.00 0.00 ATOM 347 C GLN A 41 5.181 35.589 20.046 1.00 0.00 ATOM 348 N LEU A 42 4.966 36.158 21.224 1.00 0.00 ATOM 349 CA LEU A 42 5.775 35.821 22.368 1.00 0.00 ATOM 350 CB LEU A 42 6.588 37.031 22.835 1.00 0.00 ATOM 351 CG LEU A 42 7.471 36.819 24.066 1.00 0.00 ATOM 352 CD1 LEU A 42 8.619 35.873 23.749 1.00 0.00 ATOM 353 CD2 LEU A 42 8.061 38.140 24.539 1.00 0.00 ATOM 354 O LEU A 42 3.965 35.972 23.934 1.00 0.00 ATOM 355 C LEU A 42 4.970 35.360 23.576 1.00 0.00 ATOM 356 N LEU A 43 5.474 34.305 24.239 1.00 0.00 ATOM 357 CA LEU A 43 4.813 33.766 25.419 1.00 0.00 ATOM 358 CB LEU A 43 4.177 32.411 25.104 1.00 0.00 ATOM 359 CG LEU A 43 3.031 32.418 24.091 1.00 0.00 ATOM 360 CD1 LEU A 43 2.643 30.999 23.706 1.00 0.00 ATOM 361 CD2 LEU A 43 1.803 33.105 24.672 1.00 0.00 ATOM 362 O LEU A 43 6.875 33.179 26.479 1.00 0.00 ATOM 363 C LEU A 43 5.703 33.488 26.628 1.00 0.00 ATOM 364 N GLN A 44 5.190 33.611 27.820 1.00 0.00 ATOM 365 CA GLN A 44 5.969 33.312 28.998 1.00 0.00 ATOM 366 CB GLN A 44 5.207 33.890 30.130 1.00 0.00 ATOM 367 CG GLN A 44 5.887 35.224 30.359 1.00 0.00 ATOM 368 CD GLN A 44 5.519 35.827 31.701 1.00 0.00 ATOM 369 OE1 GLN A 44 4.371 36.215 31.930 1.00 0.00 ATOM 370 NE2 GLN A 44 6.490 35.898 32.600 1.00 0.00 ATOM 371 O GLN A 44 4.484 31.469 29.569 1.00 0.00 ATOM 372 C GLN A 44 5.639 31.908 29.516 1.00 0.00 ATOM 373 N HIS A 45 6.693 31.211 29.906 1.00 0.00 ATOM 374 CA HIS A 45 6.544 29.914 30.597 1.00 0.00 ATOM 375 CB HIS A 45 7.837 29.102 30.496 1.00 0.00 ATOM 376 CG HIS A 45 8.156 28.644 29.107 1.00 0.00 ATOM 377 CD2 HIS A 45 9.060 29.082 28.052 1.00 0.00 ATOM 378 ND1 HIS A 45 7.541 27.561 28.520 1.00 0.00 ATOM 379 CE1 HIS A 45 8.034 27.398 27.279 1.00 0.00 ATOM 380 NE2 HIS A 45 8.945 28.307 26.990 1.00 0.00 ATOM 381 O HIS A 45 6.715 31.123 32.678 1.00 0.00 ATOM 382 C HIS A 45 6.217 30.166 32.073 1.00 0.00 ATOM 383 N ASP A 46 5.345 29.331 32.613 1.00 0.00 ATOM 384 CA ASP A 46 4.973 29.476 34.010 1.00 0.00 ATOM 385 CB ASP A 46 3.903 28.451 34.391 1.00 0.00 ATOM 386 CG ASP A 46 2.543 28.785 33.811 1.00 0.00 ATOM 387 OD1 ASP A 46 2.369 29.919 33.317 1.00 0.00 ATOM 388 OD2 ASP A 46 1.650 27.913 33.849 1.00 0.00 ATOM 389 O ASP A 46 6.394 29.985 35.860 1.00 0.00 ATOM 390 C ASP A 46 6.185 29.259 34.904 1.00 0.00 ATOM 391 N GLN A 47 6.999 28.272 34.552 1.00 0.00 ATOM 392 CA GLN A 47 8.189 27.977 35.330 1.00 0.00 ATOM 393 CB GLN A 47 8.883 26.724 34.792 1.00 0.00 ATOM 394 CG GLN A 47 8.069 25.449 34.946 1.00 0.00 ATOM 395 CD GLN A 47 8.727 24.253 34.286 1.00 0.00 ATOM 396 OE1 GLN A 47 9.718 24.396 33.569 1.00 0.00 ATOM 397 NE2 GLN A 47 8.178 23.069 34.526 1.00 0.00 ATOM 398 O GLN A 47 9.815 29.463 36.256 1.00 0.00 ATOM 399 C GLN A 47 9.183 29.136 35.269 1.00 0.00 ATOM 400 N GLU A 48 8.754 30.975 34.816 1.00 0.00 ATOM 401 CA GLU A 48 9.222 32.261 35.330 1.00 0.00 ATOM 402 CB GLU A 48 9.463 32.178 36.839 1.00 0.00 ATOM 403 CG GLU A 48 9.810 33.509 37.486 1.00 0.00 ATOM 404 CD GLU A 48 9.986 33.399 38.987 1.00 0.00 ATOM 405 OE1 GLU A 48 9.740 32.304 39.535 1.00 0.00 ATOM 406 OE2 GLU A 48 10.371 34.407 39.616 1.00 0.00 ATOM 407 O GLU A 48 11.502 31.894 34.678 1.00 0.00 ATOM 408 C GLU A 48 10.523 32.639 34.630 1.00 0.00 ATOM 409 N ASN A 49 10.513 33.792 33.966 1.00 0.00 ATOM 410 CA ASN A 49 11.682 34.291 33.241 1.00 0.00 ATOM 411 CB ASN A 49 12.888 34.373 34.178 1.00 0.00 ATOM 412 CG ASN A 49 12.729 35.441 35.242 1.00 0.00 ATOM 413 ND2 ASN A 49 13.351 35.223 36.395 1.00 0.00 ATOM 414 OD1 ASN A 49 12.055 36.448 35.029 1.00 0.00 ATOM 415 O ASN A 49 13.244 33.586 31.547 1.00 0.00 ATOM 416 C ASN A 49 12.129 33.441 32.048 1.00 0.00 ATOM 417 N GLN A 50 11.257 32.553 31.596 1.00 0.00 ATOM 418 CA GLN A 50 11.566 31.721 30.443 1.00 0.00 ATOM 419 CB GLN A 50 11.521 30.240 30.822 1.00 0.00 ATOM 420 CG GLN A 50 12.581 29.826 31.831 1.00 0.00 ATOM 421 CD GLN A 50 12.517 28.350 32.171 1.00 0.00 ATOM 422 OE1 GLN A 50 11.694 27.613 31.628 1.00 0.00 ATOM 423 NE2 GLN A 50 13.388 27.914 33.074 1.00 0.00 ATOM 424 O GLN A 50 9.273 32.099 29.860 1.00 0.00 ATOM 425 C GLN A 50 10.450 32.128 29.483 1.00 0.00 ATOM 426 N VAL A 51 10.858 32.517 28.289 1.00 0.00 ATOM 427 CA VAL A 51 9.860 32.918 27.291 1.00 0.00 ATOM 428 CB VAL A 51 9.854 34.442 27.079 1.00 0.00 ATOM 429 CG1 VAL A 51 9.480 35.160 28.367 1.00 0.00 ATOM 430 CG2 VAL A 51 11.231 34.925 26.644 1.00 0.00 ATOM 431 O VAL A 51 11.307 31.791 25.754 1.00 0.00 ATOM 432 C VAL A 51 10.174 32.230 25.960 1.00 0.00 ATOM 433 N THR A 52 9.147 32.088 25.137 1.00 0.00 ATOM 434 CA THR A 52 9.288 31.497 23.783 1.00 0.00 ATOM 435 CB THR A 52 8.411 30.240 23.615 1.00 0.00 ATOM 436 CG2 THR A 52 8.568 29.665 22.216 1.00 0.00 ATOM 437 OG1 THR A 52 8.804 29.249 24.572 1.00 0.00 ATOM 438 O THR A 52 7.785 33.197 23.001 1.00 0.00 ATOM 439 C THR A 52 8.836 32.576 22.807 1.00 0.00 ATOM 440 N SER A 53 9.641 32.819 21.779 1.00 0.00 ATOM 441 CA SER A 53 9.304 33.796 20.753 1.00 0.00 ATOM 442 CB SER A 53 10.363 34.900 20.713 1.00 0.00 ATOM 443 OG SER A 53 10.317 35.732 21.855 1.00 0.00 ATOM 444 O SER A 53 10.153 32.206 19.181 1.00 0.00 ATOM 445 C SER A 53 9.255 33.013 19.467 1.00 0.00 ATOM 446 N LEU A 54 8.199 33.245 18.702 1.00 0.00 ATOM 447 CA LEU A 54 8.024 32.547 17.447 1.00 0.00 ATOM 448 CB LEU A 54 6.735 31.728 17.476 1.00 0.00 ATOM 449 CG LEU A 54 6.360 30.964 16.201 1.00 0.00 ATOM 450 CD1 LEU A 54 7.455 29.967 15.843 1.00 0.00 ATOM 451 CD2 LEU A 54 5.034 30.249 16.415 1.00 0.00 ATOM 452 O LEU A 54 7.064 34.437 16.320 1.00 0.00 ATOM 453 C LEU A 54 7.893 33.527 16.288 1.00 0.00 ATOM 454 N ILE A 55 8.710 33.282 15.303 1.00 0.00 ATOM 455 CA ILE A 55 8.685 34.105 14.101 1.00 0.00 ATOM 456 CB ILE A 55 10.091 34.615 13.735 1.00 0.00 ATOM 457 CG1 ILE A 55 10.664 35.462 14.873 1.00 0.00 ATOM 458 CG2 ILE A 55 10.036 35.469 12.477 1.00 0.00 ATOM 459 CD1 ILE A 55 12.120 35.826 14.688 1.00 0.00 ATOM 460 O ILE A 55 8.692 32.190 12.659 1.00 0.00 ATOM 461 C ILE A 55 8.152 33.263 12.971 1.00 0.00 ATOM 462 N VAL A 56 7.070 33.714 12.362 1.00 0.00 ATOM 463 CA VAL A 56 6.538 32.950 11.249 1.00 0.00 ATOM 464 CB VAL A 56 5.016 32.754 11.385 1.00 0.00 ATOM 465 CG1 VAL A 56 4.470 31.989 10.188 1.00 0.00 ATOM 466 CG2 VAL A 56 4.689 31.971 12.646 1.00 0.00 ATOM 467 O VAL A 56 6.582 34.925 9.907 1.00 0.00 ATOM 468 C VAL A 56 6.864 33.737 9.994 1.00 0.00 ATOM 469 N ILE A 57 7.472 33.064 9.033 1.00 0.00 ATOM 470 CA ILE A 57 7.817 33.701 7.788 1.00 0.00 ATOM 471 CB ILE A 57 9.336 33.682 7.535 1.00 0.00 ATOM 472 CG1 ILE A 57 10.071 34.443 8.641 1.00 0.00 ATOM 473 CG2 ILE A 57 9.661 34.338 6.201 1.00 0.00 ATOM 474 CD1 ILE A 57 11.574 34.283 8.595 1.00 0.00 ATOM 475 O ILE A 57 7.265 31.706 6.593 1.00 0.00 ATOM 476 C ILE A 57 7.114 32.930 6.706 1.00 0.00 ATOM 477 N LEU A 58 6.310 33.637 5.916 1.00 0.00 ATOM 478 CA LEU A 58 5.577 32.997 4.825 1.00 0.00 ATOM 479 CB LEU A 58 4.074 33.229 4.990 1.00 0.00 ATOM 480 CG LEU A 58 3.439 32.684 6.271 1.00 0.00 ATOM 481 CD1 LEU A 58 1.979 33.098 6.367 1.00 0.00 ATOM 482 CD2 LEU A 58 3.506 31.163 6.299 1.00 0.00 ATOM 483 O LEU A 58 6.058 34.821 3.350 1.00 0.00 ATOM 484 C LEU A 58 6.037 33.599 3.516 1.00 0.00 ATOM 485 N SER A 59 6.393 32.732 2.581 1.00 0.00 ATOM 486 CA SER A 59 6.874 33.169 1.280 1.00 0.00 ATOM 487 CB SER A 59 8.345 32.786 1.103 1.00 0.00 ATOM 488 OG SER A 59 9.164 33.458 2.045 1.00 0.00 ATOM 489 O SER A 59 5.841 31.305 0.207 1.00 0.00 ATOM 490 C SER A 59 6.067 32.513 0.185 1.00 0.00 ATOM 491 N PHE A 60 5.604 33.333 -0.755 1.00 0.00 ATOM 492 CA PHE A 60 4.799 32.873 -1.877 1.00 0.00 ATOM 493 CB PHE A 60 3.379 33.435 -1.783 1.00 0.00 ATOM 494 CG PHE A 60 2.638 33.010 -0.547 1.00 0.00 ATOM 495 CD1 PHE A 60 2.658 33.795 0.592 1.00 0.00 ATOM 496 CD2 PHE A 60 1.921 31.826 -0.524 1.00 0.00 ATOM 497 CE1 PHE A 60 1.977 33.404 1.730 1.00 0.00 ATOM 498 CE2 PHE A 60 1.241 31.437 0.613 1.00 0.00 ATOM 499 CZ PHE A 60 1.265 32.219 1.736 1.00 0.00 ATOM 500 O PHE A 60 5.445 34.571 -3.434 1.00 0.00 ATOM 501 C PHE A 60 5.353 33.368 -3.204 1.00 0.00 ATOM 502 N MET A 61 5.716 32.450 -4.084 1.00 0.00 ATOM 503 CA MET A 61 6.246 32.839 -5.376 1.00 0.00 ATOM 504 CB MET A 61 7.567 32.124 -5.669 1.00 0.00 ATOM 505 CG MET A 61 8.119 32.414 -7.066 1.00 0.00 ATOM 506 SD MET A 61 9.639 31.537 -7.452 1.00 0.00 ATOM 507 CE MET A 61 10.846 32.616 -6.660 1.00 0.00 ATOM 508 O MET A 61 4.910 31.237 -6.565 1.00 0.00 ATOM 509 C MET A 61 5.316 32.406 -6.488 1.00 0.00 ATOM 510 N ILE A 62 4.975 33.352 -7.356 1.00 0.00 ATOM 511 CA ILE A 62 4.074 33.059 -8.461 1.00 0.00 ATOM 512 CB ILE A 62 2.715 33.761 -8.282 1.00 0.00 ATOM 513 CG1 ILE A 62 2.903 35.278 -8.216 1.00 0.00 ATOM 514 CG2 ILE A 62 2.044 33.303 -6.996 1.00 0.00 ATOM 515 CD1 ILE A 62 1.605 36.056 -8.232 1.00 0.00 ATOM 516 O ILE A 62 5.383 34.468 -9.873 1.00 0.00 ATOM 517 C ILE A 62 4.625 33.508 -9.795 1.00 0.00 ATOM 518 N VAL A 63 4.247 32.779 -10.838 1.00 0.00 ATOM 519 CA VAL A 63 4.648 33.075 -12.206 1.00 0.00 ATOM 520 CB VAL A 63 5.395 31.891 -12.845 1.00 0.00 ATOM 521 CG1 VAL A 63 5.928 32.274 -14.217 1.00 0.00 ATOM 522 CG2 VAL A 63 6.571 31.471 -11.975 1.00 0.00 ATOM 523 O VAL A 63 2.676 32.440 -13.474 1.00 0.00 ATOM 524 C VAL A 63 3.298 33.344 -12.888 1.00 0.00 ATOM 525 N PHE A 64 2.849 34.639 -12.595 1.00 0.00 ATOM 526 CA PHE A 64 1.539 35.100 -13.084 1.00 0.00 ATOM 527 CB PHE A 64 1.275 34.564 -14.493 1.00 0.00 ATOM 528 CG PHE A 64 2.214 35.104 -15.533 1.00 0.00 ATOM 529 CD1 PHE A 64 3.312 34.368 -15.943 1.00 0.00 ATOM 530 CD2 PHE A 64 2.001 36.348 -16.100 1.00 0.00 ATOM 531 CE1 PHE A 64 4.178 34.864 -16.899 1.00 0.00 ATOM 532 CE2 PHE A 64 2.866 36.845 -17.057 1.00 0.00 ATOM 533 CZ PHE A 64 3.950 36.108 -17.456 1.00 0.00 ATOM 534 O PHE A 64 0.260 35.091 -11.060 1.00 0.00 ATOM 535 C PHE A 64 0.417 34.615 -12.188 1.00 0.00 ATOM 536 N ASP A 65 -0.355 33.656 -12.685 1.00 0.00 ATOM 537 CA ASP A 65 -1.468 33.091 -11.921 1.00 0.00 ATOM 538 CB ASP A 65 -2.720 33.027 -12.799 1.00 0.00 ATOM 539 CG ASP A 65 -3.165 34.394 -13.278 1.00 0.00 ATOM 540 OD1 ASP A 65 -3.271 35.313 -12.439 1.00 0.00 ATOM 541 OD2 ASP A 65 -3.409 34.547 -14.494 1.00 0.00 ATOM 542 O ASP A 65 -1.791 31.071 -10.700 1.00 0.00 ATOM 543 C ASP A 65 -1.055 31.696 -11.469 1.00 0.00 ATOM 544 N LYS A 66 0.053 31.179 -11.939 1.00 0.00 ATOM 545 CA LYS A 66 0.524 29.856 -11.564 1.00 0.00 ATOM 546 CB LYS A 66 1.049 29.115 -12.797 1.00 0.00 ATOM 547 CG LYS A 66 0.094 29.138 -14.003 1.00 0.00 ATOM 548 CD LYS A 66 -1.190 28.398 -13.698 1.00 0.00 ATOM 549 CE LYS A 66 -2.069 28.258 -14.922 1.00 0.00 ATOM 550 NZ LYS A 66 -3.293 27.479 -14.586 1.00 0.00 ATOM 551 O LYS A 66 2.611 30.490 -10.613 1.00 0.00 ATOM 552 C LYS A 66 1.536 29.916 -10.430 1.00 0.00 ATOM 553 N PHE A 67 1.127 29.374 -9.215 1.00 0.00 ATOM 554 CA PHE A 67 2.049 29.455 -8.083 1.00 0.00 ATOM 555 CB PHE A 67 1.331 28.943 -6.832 1.00 0.00 ATOM 556 CG PHE A 67 0.305 29.898 -6.289 1.00 0.00 ATOM 557 CD1 PHE A 67 -1.041 29.714 -6.554 1.00 0.00 ATOM 558 CD2 PHE A 67 0.686 30.980 -5.514 1.00 0.00 ATOM 559 CE1 PHE A 67 -1.985 30.593 -6.056 1.00 0.00 ATOM 560 CE2 PHE A 67 -0.257 31.858 -5.015 1.00 0.00 ATOM 561 CZ PHE A 67 -1.589 31.666 -5.283 1.00 0.00 ATOM 562 O PHE A 67 3.129 27.369 -8.581 1.00 0.00 ATOM 563 C PHE A 67 3.267 28.551 -8.277 1.00 0.00 ATOM 564 N VAL A 68 4.456 29.132 -8.128 1.00 0.00 ATOM 565 CA VAL A 68 5.714 28.403 -8.274 1.00 0.00 ATOM 566 CB VAL A 68 6.898 29.369 -8.468 1.00 0.00 ATOM 567 CG1 VAL A 68 8.210 28.603 -8.508 1.00 0.00 ATOM 568 CG2 VAL A 68 6.750 30.137 -9.772 1.00 0.00 ATOM 569 O VAL A 68 5.882 26.321 -7.081 1.00 0.00 ATOM 570 C VAL A 68 5.909 27.559 -7.019 1.00 0.00 ATOM 571 N ILE A 69 5.910 28.114 -5.915 1.00 0.00 ATOM 572 CA ILE A 69 6.079 27.451 -4.624 1.00 0.00 ATOM 573 CB ILE A 69 7.534 26.932 -4.434 1.00 0.00 ATOM 574 CG1 ILE A 69 8.541 28.071 -4.401 1.00 0.00 ATOM 575 CG2 ILE A 69 7.871 25.900 -5.482 1.00 0.00 ATOM 576 CD1 ILE A 69 9.908 27.622 -3.931 1.00 0.00 ATOM 577 O ILE A 69 5.688 29.496 -3.460 1.00 0.00 ATOM 578 C ILE A 69 5.662 28.268 -3.428 1.00 0.00 ATOM 579 N SER A 70 5.268 27.576 -2.369 1.00 0.00 ATOM 580 CA SER A 70 4.878 28.229 -1.127 1.00 0.00 ATOM 581 CB SER A 70 3.417 27.912 -0.800 1.00 0.00 ATOM 582 OG SER A 70 3.031 28.496 0.432 1.00 0.00 ATOM 583 O SER A 70 6.034 26.488 0.055 1.00 0.00 ATOM 584 C SER A 70 5.806 27.694 -0.030 1.00 0.00 ATOM 585 N GLY A 71 6.348 28.596 0.785 1.00 0.00 ATOM 586 CA GLY A 71 7.254 28.232 1.874 1.00 0.00 ATOM 587 O GLY A 71 6.601 30.074 3.298 1.00 0.00 ATOM 588 C GLY A 71 6.830 28.864 3.194 1.00 0.00 ATOM 589 N THR A 72 6.618 28.109 4.214 1.00 0.00 ATOM 590 CA THR A 72 6.247 28.647 5.511 1.00 0.00 ATOM 591 CB THR A 72 4.794 28.350 5.853 1.00 0.00 ATOM 592 CG2 THR A 72 3.858 28.953 4.836 1.00 0.00 ATOM 593 OG1 THR A 72 4.589 26.925 5.805 1.00 0.00 ATOM 594 O THR A 72 7.613 26.892 6.436 1.00 0.00 ATOM 595 C THR A 72 7.235 28.055 6.529 1.00 0.00 ATOM 596 N ILE A 73 7.630 28.862 7.438 1.00 0.00 ATOM 597 CA ILE A 73 8.494 28.385 8.509 1.00 0.00 ATOM 598 CB ILE A 73 9.960 28.673 8.135 1.00 0.00 ATOM 599 CG1 ILE A 73 10.902 28.133 9.214 1.00 0.00 ATOM 600 CG2 ILE A 73 10.191 30.171 8.000 1.00 0.00 ATOM 601 CD1 ILE A 73 12.356 28.111 8.800 1.00 0.00 ATOM 602 O ILE A 73 7.898 30.297 9.796 1.00 0.00 ATOM 603 C ILE A 73 8.160 29.091 9.797 1.00 0.00 ATOM 604 N SER A 74 8.124 28.317 10.880 1.00 0.00 ATOM 605 CA SER A 74 7.859 28.831 12.216 1.00 0.00 ATOM 606 CB SER A 74 6.723 28.059 12.890 1.00 0.00 ATOM 607 OG SER A 74 5.504 28.233 12.190 1.00 0.00 ATOM 608 O SER A 74 9.535 27.496 13.300 1.00 0.00 ATOM 609 C SER A 74 9.177 28.624 12.930 1.00 0.00 ATOM 610 N GLN A 75 9.924 29.707 13.076 1.00 0.00 ATOM 611 CA GLN A 75 11.211 29.640 13.738 1.00 0.00 ATOM 612 CB GLN A 75 12.226 30.540 13.030 1.00 0.00 ATOM 613 CG GLN A 75 13.626 30.480 13.619 1.00 0.00 ATOM 614 CD GLN A 75 14.613 31.345 12.860 1.00 0.00 ATOM 615 OE1 GLN A 75 14.284 31.912 11.818 1.00 0.00 ATOM 616 NE2 GLN A 75 15.831 31.448 13.382 1.00 0.00 ATOM 617 O GLN A 75 10.610 31.243 15.392 1.00 0.00 ATOM 618 C GLN A 75 10.991 30.094 15.156 1.00 0.00 ATOM 619 N VAL A 76 11.245 29.196 16.093 1.00 0.00 ATOM 620 CA VAL A 76 11.048 29.525 17.485 1.00 0.00 ATOM 621 CB VAL A 76 10.323 28.390 18.227 1.00 0.00 ATOM 622 CG1 VAL A 76 10.247 28.703 19.716 1.00 0.00 ATOM 623 CG2 VAL A 76 8.926 28.223 17.648 1.00 0.00 ATOM 624 O VAL A 76 13.349 28.999 17.897 1.00 0.00 ATOM 625 C VAL A 76 12.320 29.551 18.292 1.00 0.00 ATOM 626 N ASN A 77 12.248 30.221 19.434 1.00 0.00 ATOM 627 CA ASN A 77 13.391 30.299 20.311 1.00 0.00 ATOM 628 CB ASN A 77 14.226 31.516 19.910 1.00 0.00 ATOM 629 CG ASN A 77 15.546 31.587 20.651 1.00 0.00 ATOM 630 ND2 ASN A 77 16.644 31.430 19.920 1.00 0.00 ATOM 631 OD1 ASN A 77 15.576 31.781 21.867 1.00 0.00 ATOM 632 O ASN A 77 11.922 31.041 22.042 1.00 0.00 ATOM 633 C ASN A 77 12.954 30.440 21.752 1.00 0.00 ATOM 634 N HIS A 78 13.729 29.852 22.657 1.00 0.00 ATOM 635 CA HIS A 78 13.467 29.959 24.080 1.00 0.00 ATOM 636 CB HIS A 78 13.568 28.591 24.759 1.00 0.00 ATOM 637 CG HIS A 78 12.501 27.628 24.337 1.00 0.00 ATOM 638 CD2 HIS A 78 11.468 27.607 23.312 1.00 0.00 ATOM 639 ND1 HIS A 78 12.306 26.414 24.960 1.00 0.00 ATOM 640 CE1 HIS A 78 11.285 25.775 24.363 1.00 0.00 ATOM 641 NE2 HIS A 78 10.777 26.485 23.375 1.00 0.00 ATOM 642 O HIS A 78 15.728 30.721 24.415 1.00 0.00 ATOM 643 C HIS A 78 14.526 30.899 24.651 1.00 0.00 ATOM 644 N ILE A 79 14.067 31.909 25.384 1.00 0.00 ATOM 645 CA ILE A 79 14.943 32.914 25.975 1.00 0.00 ATOM 646 CB ILE A 79 14.714 34.296 25.337 1.00 0.00 ATOM 647 CG1 ILE A 79 15.022 34.249 23.839 1.00 0.00 ATOM 648 CG2 ILE A 79 15.617 35.337 25.983 1.00 0.00 ATOM 649 CD1 ILE A 79 14.610 35.499 23.092 1.00 0.00 ATOM 650 O ILE A 79 13.679 33.104 28.009 1.00 0.00 ATOM 651 C ILE A 79 14.794 33.117 27.483 1.00 0.00 ATOM 652 N ASP A 80 15.901 33.330 28.141 1.00 0.00 ATOM 653 CA ASP A 80 15.874 33.568 29.580 1.00 0.00 ATOM 654 CB ASP A 80 16.121 32.237 30.241 1.00 0.00 ATOM 655 CG ASP A 80 16.095 32.383 31.745 1.00 0.00 ATOM 656 OD1 ASP A 80 16.501 33.447 32.252 1.00 0.00 ATOM 657 OD2 ASP A 80 15.683 31.414 32.420 1.00 0.00 ATOM 658 O ASP A 80 18.232 33.932 29.329 1.00 0.00 ATOM 659 C ASP A 80 17.223 34.127 30.014 1.00 0.00 ATOM 660 N GLY A 81 17.235 34.839 31.138 1.00 0.00 ATOM 661 CA GLY A 81 18.471 35.407 31.641 1.00 0.00 ATOM 662 O GLY A 81 19.358 37.622 31.465 1.00 0.00 ATOM 663 C GLY A 81 18.437 36.848 31.168 1.00 0.00 ATOM 664 N ARG A 82 17.296 37.190 30.365 1.00 0.00 ATOM 665 CA ARG A 82 17.169 38.534 29.825 1.00 0.00 ATOM 666 CB ARG A 82 16.431 38.558 28.507 1.00 0.00 ATOM 667 CG ARG A 82 16.023 39.970 28.101 1.00 0.00 ATOM 668 CD ARG A 82 15.300 39.969 26.764 1.00 0.00 ATOM 669 NE ARG A 82 14.817 41.298 26.391 1.00 0.00 ATOM 670 CZ ARG A 82 14.105 41.554 25.298 1.00 0.00 ATOM 671 NH1 ARG A 82 13.791 40.572 24.462 1.00 0.00 ATOM 672 NH2 ARG A 82 13.703 42.791 25.040 1.00 0.00 ATOM 673 O ARG A 82 15.014 39.083 30.679 1.00 0.00 ATOM 674 C ARG A 82 16.225 39.255 30.772 1.00 0.00 ATOM 675 N ILE A 83 16.765 40.045 31.693 1.00 0.00 ATOM 676 CA ILE A 83 15.911 40.763 32.629 1.00 0.00 ATOM 677 CB ILE A 83 16.235 40.391 34.088 1.00 0.00 ATOM 678 CG1 ILE A 83 15.998 38.899 34.323 1.00 0.00 ATOM 679 CG2 ILE A 83 15.353 41.176 35.046 1.00 0.00 ATOM 680 CD1 ILE A 83 16.528 38.398 35.650 1.00 0.00 ATOM 681 O ILE A 83 17.208 42.734 32.230 1.00 0.00 ATOM 682 C ILE A 83 16.102 42.261 32.470 1.00 0.00 ATOM 683 N VAL A 84 15.013 43.006 32.589 1.00 0.00 ATOM 684 CA VAL A 84 15.088 44.455 32.460 1.00 0.00 ATOM 685 CB VAL A 84 13.718 44.571 31.214 1.00 0.00 ATOM 686 CG1 VAL A 84 13.468 43.316 30.379 1.00 0.00 ATOM 687 CG2 VAL A 84 12.538 44.843 32.169 1.00 0.00 ATOM 688 O VAL A 84 15.265 46.429 33.759 1.00 0.00 ATOM 689 C VAL A 84 15.196 45.207 33.766 1.00 0.00 ATOM 690 N ASN A 85 16.514 44.965 34.684 1.00 0.00 ATOM 691 CA ASN A 85 16.429 45.615 35.977 1.00 0.00 ATOM 692 CB ASN A 85 16.476 47.208 35.688 1.00 0.00 ATOM 693 CG ASN A 85 17.375 47.692 34.553 1.00 0.00 ATOM 694 ND2 ASN A 85 18.638 47.277 34.590 1.00 0.00 ATOM 695 OD1 ASN A 85 16.942 48.426 33.657 1.00 0.00 ATOM 696 O ASN A 85 15.076 46.067 37.871 1.00 0.00 ATOM 697 C ASN A 85 15.157 45.512 36.784 1.00 0.00 ATOM 698 N GLU A 86 14.158 44.816 36.271 1.00 0.00 ATOM 699 CA GLU A 86 12.911 44.671 37.006 1.00 0.00 ATOM 700 CB GLU A 86 11.749 44.416 36.046 1.00 0.00 ATOM 701 CG GLU A 86 11.485 45.553 35.072 1.00 0.00 ATOM 702 CD GLU A 86 10.960 46.798 35.760 1.00 0.00 ATOM 703 OE1 GLU A 86 10.545 46.698 36.933 1.00 0.00 ATOM 704 OE2 GLU A 86 10.965 47.874 35.124 1.00 0.00 ATOM 705 O GLU A 86 13.978 42.714 37.909 1.00 0.00 ATOM 706 C GLU A 86 13.023 43.489 37.977 1.00 0.00 ATOM 707 N PRO A 87 12.070 43.371 38.894 1.00 0.00 ATOM 708 CA PRO A 87 12.085 42.278 39.861 1.00 0.00 ATOM 709 CB PRO A 87 10.732 42.388 40.565 1.00 0.00 ATOM 710 CG PRO A 87 10.355 43.824 40.428 1.00 0.00 ATOM 711 CD PRO A 87 10.824 44.250 39.064 1.00 0.00 ATOM 712 O PRO A 87 11.858 40.815 37.984 1.00 0.00 ATOM 713 C PRO A 87 12.253 40.953 39.137 1.00 0.00 ATOM 714 N SER A 88 12.906 39.994 39.832 1.00 0.00 ATOM 715 CA SER A 88 13.162 38.681 39.262 1.00 0.00 ATOM 716 CB SER A 88 13.778 37.751 40.310 1.00 0.00 ATOM 717 OG SER A 88 12.878 37.520 41.379 1.00 0.00 ATOM 718 O SER A 88 11.855 37.199 37.878 1.00 0.00 ATOM 719 C SER A 88 11.859 38.048 38.766 1.00 0.00 ATOM 720 N GLU A 89 10.750 38.450 39.369 1.00 0.00 ATOM 721 CA GLU A 89 9.467 37.923 38.981 1.00 0.00 ATOM 722 CB GLU A 89 8.955 36.933 40.029 1.00 0.00 ATOM 723 CG GLU A 89 7.668 36.224 39.638 1.00 0.00 ATOM 724 CD GLU A 89 7.204 35.237 40.689 1.00 0.00 ATOM 725 OE1 GLU A 89 7.860 35.144 41.748 1.00 0.00 ATOM 726 OE2 GLU A 89 6.183 34.555 40.455 1.00 0.00 ATOM 727 O GLU A 89 7.852 39.490 39.836 1.00 0.00 ATOM 728 C GLU A 89 8.487 39.084 38.857 1.00 0.00 ATOM 729 N LEU A 90 8.420 39.690 37.662 1.00 0.00 ATOM 730 CA LEU A 90 7.528 40.820 37.379 1.00 0.00 ATOM 731 CB LEU A 90 7.742 41.327 35.951 1.00 0.00 ATOM 732 CG LEU A 90 9.105 41.956 35.652 1.00 0.00 ATOM 733 CD1 LEU A 90 9.228 42.297 34.175 1.00 0.00 ATOM 734 CD2 LEU A 90 9.295 43.235 36.453 1.00 0.00 ATOM 735 O LEU A 90 5.696 39.308 37.621 1.00 0.00 ATOM 736 C LEU A 90 6.050 40.471 37.488 1.00 0.00 ATOM 737 N ASN A 91 5.209 41.506 37.455 1.00 0.00 ATOM 738 CA ASN A 91 3.761 41.365 37.538 1.00 0.00 ATOM 739 CB ASN A 91 3.078 42.647 38.003 1.00 0.00 ATOM 740 CG ASN A 91 3.329 43.029 39.445 1.00 0.00 ATOM 741 ND2 ASN A 91 3.618 44.183 39.812 1.00 0.00 ATOM 742 OD1 ASN A 91 3.265 42.101 40.402 1.00 0.00 ATOM 743 O ASN A 91 3.938 41.242 35.146 1.00 0.00 ATOM 744 C ASN A 91 3.280 40.954 36.146 1.00 0.00 ATOM 745 N GLN A 92 2.167 40.211 36.084 1.00 0.00 ATOM 746 CA GLN A 92 1.623 39.735 34.817 1.00 0.00 ATOM 747 CB GLN A 92 0.287 39.002 35.096 1.00 0.00 ATOM 748 CG GLN A 92 0.400 37.905 36.150 1.00 0.00 ATOM 749 CD GLN A 92 -0.892 37.155 36.345 1.00 0.00 ATOM 750 OE1 GLN A 92 -1.955 37.763 36.491 1.00 0.00 ATOM 751 NE2 GLN A 92 -0.805 35.834 36.364 1.00 0.00 ATOM 752 O GLN A 92 1.699 40.679 32.626 1.00 0.00 ATOM 753 C GLN A 92 1.389 40.843 33.805 1.00 0.00 ATOM 754 N GLU A 93 0.849 41.998 34.256 1.00 0.00 ATOM 755 CA GLU A 93 0.579 43.114 33.359 1.00 0.00 ATOM 756 CB GLU A 93 -0.146 44.228 34.118 1.00 0.00 ATOM 757 CG GLU A 93 -0.501 45.431 33.261 1.00 0.00 ATOM 758 CD GLU A 93 -1.249 46.498 34.037 1.00 0.00 ATOM 759 OE1 GLU A 93 -1.501 46.290 35.243 1.00 0.00 ATOM 760 OE2 GLU A 93 -1.582 47.544 33.440 1.00 0.00 ATOM 761 O GLU A 93 1.945 43.943 31.586 1.00 0.00 ATOM 762 C GLU A 93 1.859 43.706 32.790 1.00 0.00 ATOM 763 N GLU A 94 2.871 43.952 33.625 1.00 0.00 ATOM 764 CA GLU A 94 4.114 44.533 33.131 1.00 0.00 ATOM 765 CB GLU A 94 5.051 44.860 34.295 1.00 0.00 ATOM 766 CG GLU A 94 4.586 46.020 35.160 1.00 0.00 ATOM 767 CD GLU A 94 5.473 46.236 36.371 1.00 0.00 ATOM 768 OE1 GLU A 94 6.408 45.435 36.572 1.00 0.00 ATOM 769 OE2 GLU A 94 5.231 47.206 37.119 1.00 0.00 ATOM 770 O GLU A 94 5.428 43.960 31.216 1.00 0.00 ATOM 771 C GLU A 94 4.811 43.551 32.197 1.00 0.00 ATOM 772 N VAL A 95 4.715 42.258 32.502 1.00 0.00 ATOM 773 CA VAL A 95 5.347 41.241 31.668 1.00 0.00 ATOM 774 CB VAL A 95 5.226 39.846 32.269 1.00 0.00 ATOM 775 CG1 VAL A 95 5.868 38.818 31.338 1.00 0.00 ATOM 776 CG2 VAL A 95 5.921 39.822 33.628 1.00 0.00 ATOM 777 O VAL A 95 5.394 41.136 29.278 1.00 0.00 ATOM 778 C VAL A 95 4.702 41.253 30.282 1.00 0.00 ATOM 779 N GLU A 96 3.398 41.468 30.237 1.00 0.00 ATOM 780 CA GLU A 96 2.693 41.549 28.961 1.00 0.00 ATOM 781 CB GLU A 96 1.194 41.753 29.188 1.00 0.00 ATOM 782 CG GLU A 96 0.478 40.533 29.746 1.00 0.00 ATOM 783 CD GLU A 96 -0.977 40.811 30.074 1.00 0.00 ATOM 784 OE1 GLU A 96 -1.405 41.976 29.935 1.00 0.00 ATOM 785 OE2 GLU A 96 -1.686 39.863 30.470 1.00 0.00 ATOM 786 O GLU A 96 3.419 42.605 26.937 1.00 0.00 ATOM 787 C GLU A 96 3.237 42.718 28.150 1.00 0.00 ATOM 788 N THR A 97 3.517 43.835 28.822 1.00 0.00 ATOM 789 CA THR A 97 4.065 45.001 28.136 1.00 0.00 ATOM 790 CB THR A 97 4.134 46.199 29.050 1.00 0.00 ATOM 791 CG2 THR A 97 4.611 47.469 28.323 1.00 0.00 ATOM 792 OG1 THR A 97 2.828 46.469 29.539 1.00 0.00 ATOM 793 O THR A 97 5.836 45.060 26.520 1.00 0.00 ATOM 794 C THR A 97 5.455 44.649 27.614 1.00 0.00 ATOM 795 N LEU A 98 6.208 43.880 28.401 1.00 0.00 ATOM 796 CA LEU A 98 7.550 43.458 27.994 1.00 0.00 ATOM 797 CB LEU A 98 8.224 42.660 29.112 1.00 0.00 ATOM 798 CG LEU A 98 9.632 42.140 28.821 1.00 0.00 ATOM 799 CD1 LEU A 98 10.590 43.293 28.567 1.00 0.00 ATOM 800 CD2 LEU A 98 10.161 41.332 29.996 1.00 0.00 ATOM 801 O LEU A 98 8.221 42.752 25.796 1.00 0.00 ATOM 802 C LEU A 98 7.454 42.583 26.743 1.00 0.00 ATOM 803 N ALA A 99 6.524 41.633 26.748 1.00 0.00 ATOM 804 CA ALA A 99 6.362 40.767 25.590 1.00 0.00 ATOM 805 CB ALA A 99 5.279 39.730 25.851 1.00 0.00 ATOM 806 O ALA A 99 6.403 41.279 23.244 1.00 0.00 ATOM 807 C ALA A 99 5.959 41.569 24.356 1.00 0.00 ATOM 808 N ARG A 100 5.103 42.581 24.554 1.00 0.00 ATOM 809 CA ARG A 100 4.661 43.419 23.442 1.00 0.00 ATOM 810 CB ARG A 100 3.694 44.497 23.935 1.00 0.00 ATOM 811 CG ARG A 100 2.335 43.966 24.360 1.00 0.00 ATOM 812 CD ARG A 100 1.443 45.082 24.881 1.00 0.00 ATOM 813 NE ARG A 100 0.150 44.581 25.338 1.00 0.00 ATOM 814 CZ ARG A 100 -0.792 45.339 25.890 1.00 0.00 ATOM 815 NH1 ARG A 100 -1.937 44.796 26.277 1.00 0.00 ATOM 816 NH2 ARG A 100 -0.586 46.638 26.054 1.00 0.00 ATOM 817 O ARG A 100 6.087 43.999 21.641 1.00 0.00 ATOM 818 C ARG A 100 5.923 44.056 22.873 1.00 0.00 ATOM 819 N PRO A 101 6.761 44.636 23.682 1.00 0.00 ATOM 820 CA PRO A 101 8.039 45.154 23.159 1.00 0.00 ATOM 821 CB PRO A 101 8.813 45.467 24.450 1.00 0.00 ATOM 822 CG PRO A 101 7.731 45.965 25.364 1.00 0.00 ATOM 823 CD PRO A 101 6.548 45.057 25.074 1.00 0.00 ATOM 824 O PRO A 101 9.535 44.526 21.381 1.00 0.00 ATOM 825 C PRO A 101 8.880 44.169 22.379 1.00 0.00 ATOM 826 N CYS A 102 8.945 42.918 22.823 1.00 0.00 ATOM 827 CA CYS A 102 9.651 41.894 22.080 1.00 0.00 ATOM 828 CB CYS A 102 9.654 40.575 22.855 1.00 0.00 ATOM 829 SG CYS A 102 10.668 40.591 24.353 1.00 0.00 ATOM 830 O CYS A 102 9.645 41.590 19.702 1.00 0.00 ATOM 831 C CYS A 102 8.974 41.663 20.726 1.00 0.00 ATOM 832 N LEU A 103 7.646 41.623 20.717 1.00 0.00 ATOM 833 CA LEU A 103 6.912 41.442 19.484 1.00 0.00 ATOM 834 CB LEU A 103 5.409 41.375 19.761 1.00 0.00 ATOM 835 CG LEU A 103 4.908 40.119 20.478 1.00 0.00 ATOM 836 CD1 LEU A 103 3.443 40.266 20.858 1.00 0.00 ATOM 837 CD2 LEU A 103 5.046 38.897 19.583 1.00 0.00 ATOM 838 O LEU A 103 7.530 42.435 17.414 1.00 0.00 ATOM 839 C LEU A 103 7.211 42.629 18.570 1.00 0.00 ATOM 840 N ASN A 104 7.117 43.849 19.077 1.00 0.00 ATOM 841 CA ASN A 104 7.383 45.039 18.278 1.00 0.00 ATOM 842 CB ASN A 104 7.184 46.303 19.116 1.00 0.00 ATOM 843 CG ASN A 104 5.722 46.594 19.398 1.00 0.00 ATOM 844 ND2 ASN A 104 5.467 47.405 20.417 1.00 0.00 ATOM 845 OD1 ASN A 104 4.837 46.091 18.706 1.00 0.00 ATOM 846 O ASN A 104 9.079 45.253 16.597 1.00 0.00 ATOM 847 C ASN A 104 8.817 45.031 17.779 1.00 0.00 ATOM 848 N MET A 105 9.746 44.739 18.666 1.00 0.00 ATOM 849 CA MET A 105 11.149 44.697 18.302 1.00 0.00 ATOM 850 CB MET A 105 12.057 44.516 19.521 1.00 0.00 ATOM 851 CG MET A 105 12.113 45.729 20.437 1.00 0.00 ATOM 852 SD MET A 105 12.749 47.198 19.608 1.00 0.00 ATOM 853 CE MET A 105 14.459 46.730 19.351 1.00 0.00 ATOM 854 O MET A 105 12.171 43.669 16.400 1.00 0.00 ATOM 855 C MET A 105 11.403 43.538 17.351 1.00 0.00 ATOM 856 N LEU A 106 10.780 42.391 17.612 1.00 0.00 ATOM 857 CA LEU A 106 10.984 41.238 16.737 1.00 0.00 ATOM 858 CB LEU A 106 10.214 40.026 17.262 1.00 0.00 ATOM 859 CG LEU A 106 10.730 39.403 18.561 1.00 0.00 ATOM 860 CD1 LEU A 106 9.775 38.330 19.061 1.00 0.00 ATOM 861 CD2 LEU A 106 12.092 38.762 18.344 1.00 0.00 ATOM 862 O LEU A 106 11.168 41.159 14.345 1.00 0.00 ATOM 863 C LEU A 106 10.512 41.521 15.315 1.00 0.00 ATOM 864 N ASN A 107 9.360 42.183 15.224 1.00 0.00 ATOM 865 CA ASN A 107 8.762 42.556 13.948 1.00 0.00 ATOM 866 CB ASN A 107 7.409 43.233 14.170 1.00 0.00 ATOM 867 CG ASN A 107 6.673 43.503 12.872 1.00 0.00 ATOM 868 ND2 ASN A 107 6.447 44.778 12.575 1.00 0.00 ATOM 869 OD1 ASN A 107 6.314 42.575 12.146 1.00 0.00 ATOM 870 O ASN A 107 9.868 43.383 11.996 1.00 0.00 ATOM 871 C ASN A 107 9.676 43.519 13.204 1.00 0.00 ATOM 872 N ARG A 108 10.258 44.449 13.936 1.00 0.00 ATOM 873 CA ARG A 108 11.176 45.422 13.345 1.00 0.00 ATOM 874 CB ARG A 108 11.472 46.568 14.271 1.00 0.00 ATOM 875 CG ARG A 108 10.195 47.412 14.415 1.00 0.00 ATOM 876 CD ARG A 108 10.347 48.606 15.339 1.00 0.00 ATOM 877 NE ARG A 108 9.169 49.480 15.263 1.00 0.00 ATOM 878 CZ ARG A 108 8.638 50.177 16.257 1.00 0.00 ATOM 879 NH1 ARG A 108 9.157 50.126 17.476 1.00 0.00 ATOM 880 NH2 ARG A 108 7.561 50.936 16.048 1.00 0.00 ATOM 881 O ARG A 108 12.924 44.977 11.770 1.00 0.00 ATOM 882 C ARG A 108 12.427 44.697 12.852 1.00 0.00 ATOM 883 N LEU A 109 12.949 43.787 13.668 1.00 0.00 ATOM 884 CA LEU A 109 14.131 43.014 13.293 1.00 0.00 ATOM 885 CB LEU A 109 14.560 42.099 14.442 1.00 0.00 ATOM 886 CG LEU A 109 15.139 42.790 15.678 1.00 0.00 ATOM 887 CD1 LEU A 109 15.351 41.788 16.803 1.00 0.00 ATOM 888 CD2 LEU A 109 16.478 43.435 15.356 1.00 0.00 ATOM 889 O LEU A 109 14.581 42.091 11.111 1.00 0.00 ATOM 890 C LEU A 109 13.806 42.158 12.066 1.00 0.00 ATOM 891 N THR A 110 12.639 41.520 12.104 1.00 0.00 ATOM 892 CA THR A 110 12.196 40.660 11.017 1.00 0.00 ATOM 893 CB THR A 110 10.868 39.959 11.352 1.00 0.00 ATOM 894 CG2 THR A 110 10.397 39.087 10.185 1.00 0.00 ATOM 895 OG1 THR A 110 11.060 39.124 12.497 1.00 0.00 ATOM 896 O THR A 110 12.493 40.975 8.660 1.00 0.00 ATOM 897 C THR A 110 12.072 41.442 9.717 1.00 0.00 ATOM 898 N TYR A 111 11.482 42.629 9.802 1.00 0.00 ATOM 899 CA TYR A 111 11.295 43.491 8.641 1.00 0.00 ATOM 900 CB TYR A 111 10.660 44.819 9.059 1.00 0.00 ATOM 901 CG TYR A 111 10.457 45.787 7.915 1.00 0.00 ATOM 902 CD1 TYR A 111 9.397 45.632 7.030 1.00 0.00 ATOM 903 CD2 TYR A 111 11.327 46.852 7.721 1.00 0.00 ATOM 904 CE1 TYR A 111 9.204 46.511 5.983 1.00 0.00 ATOM 905 CE2 TYR A 111 11.150 47.741 6.678 1.00 0.00 ATOM 906 CZ TYR A 111 10.076 47.563 5.807 1.00 0.00 ATOM 907 OH TYR A 111 9.886 48.439 4.764 1.00 0.00 ATOM 908 O TYR A 111 12.769 43.758 6.754 1.00 0.00 ATOM 909 C TYR A 111 12.638 43.781 7.979 1.00 0.00 ATOM 910 N GLU A 112 13.666 44.086 8.820 1.00 0.00 ATOM 911 CA GLU A 112 14.968 44.398 8.261 1.00 0.00 ATOM 912 CB GLU A 112 15.969 44.710 9.374 1.00 0.00 ATOM 913 CG GLU A 112 15.717 46.031 10.085 1.00 0.00 ATOM 914 CD GLU A 112 16.649 46.249 11.259 1.00 0.00 ATOM 915 OE1 GLU A 112 17.444 45.334 11.564 1.00 0.00 ATOM 916 OE2 GLU A 112 16.586 47.333 11.875 1.00 0.00 ATOM 917 O GLU A 112 16.142 43.545 6.383 1.00 0.00 ATOM 918 C GLU A 112 15.568 43.264 7.434 1.00 0.00 ATOM 919 N VAL A 113 15.418 42.038 7.917 1.00 0.00 ATOM 920 CA VAL A 113 16.023 40.917 7.157 1.00 0.00 ATOM 921 CB VAL A 113 16.361 39.729 8.078 1.00 0.00 ATOM 922 CG1 VAL A 113 17.343 40.155 9.159 1.00 0.00 ATOM 923 CG2 VAL A 113 15.104 39.202 8.751 1.00 0.00 ATOM 924 O VAL A 113 15.538 39.529 5.312 1.00 0.00 ATOM 925 C VAL A 113 15.102 40.381 6.080 1.00 0.00 ATOM 926 N THR A 114 13.873 40.879 5.948 1.00 0.00 ATOM 927 CA THR A 114 12.953 40.311 4.951 1.00 0.00 ATOM 928 CB THR A 114 11.556 40.953 5.039 1.00 0.00 ATOM 929 CG2 THR A 114 10.638 40.384 3.968 1.00 0.00 ATOM 930 OG1 THR A 114 10.986 40.688 6.327 1.00 0.00 ATOM 931 O THR A 114 13.350 39.425 2.762 1.00 0.00 ATOM 932 C THR A 114 13.349 40.430 3.480 1.00 0.00 ATOM 933 N GLU A 115 13.732 41.637 3.020 1.00 0.00 ATOM 934 CA GLU A 115 14.076 41.796 1.607 1.00 0.00 ATOM 935 CB GLU A 115 14.407 43.257 1.296 1.00 0.00 ATOM 936 CG GLU A 115 13.201 44.182 1.301 1.00 0.00 ATOM 937 CD GLU A 115 13.583 45.638 1.111 1.00 0.00 ATOM 938 OE1 GLU A 115 14.795 45.931 1.050 1.00 0.00 ATOM 939 OE2 GLU A 115 12.669 46.485 1.024 1.00 0.00 ATOM 940 O GLU A 115 15.273 40.284 0.204 1.00 0.00 ATOM 941 C GLU A 115 15.285 40.963 1.225 1.00 0.00 ATOM 942 N ILE A 116 16.324 40.980 2.043 1.00 0.00 ATOM 943 CA ILE A 116 17.522 40.207 1.744 1.00 0.00 ATOM 944 CB ILE A 116 18.641 40.484 2.764 1.00 0.00 ATOM 945 CG1 ILE A 116 19.141 41.925 2.630 1.00 0.00 ATOM 946 CG2 ILE A 116 19.815 39.545 2.537 1.00 0.00 ATOM 947 CD1 ILE A 116 20.049 42.364 3.758 1.00 0.00 ATOM 948 O ILE A 116 17.657 37.909 0.986 1.00 0.00 ATOM 949 C ILE A 116 17.182 38.700 1.811 1.00 0.00 ATOM 950 N ALA A 117 16.369 38.273 2.815 1.00 0.00 ATOM 951 CA ALA A 117 15.973 36.850 2.933 1.00 0.00 ATOM 952 CB ALA A 117 15.004 36.676 4.093 1.00 0.00 ATOM 953 O ALA A 117 15.500 35.276 1.173 1.00 0.00 ATOM 954 C ALA A 117 15.268 36.387 1.657 1.00 0.00 ATOM 955 N LEU A 118 14.413 37.250 1.122 1.00 0.00 ATOM 956 CA LEU A 118 13.670 36.934 -0.094 1.00 0.00 ATOM 957 CB LEU A 118 12.684 38.054 -0.428 1.00 0.00 ATOM 958 CG LEU A 118 11.834 37.855 -1.686 1.00 0.00 ATOM 959 CD1 LEU A 118 10.964 36.614 -1.556 1.00 0.00 ATOM 960 CD2 LEU A 118 10.923 39.053 -1.914 1.00 0.00 ATOM 961 O LEU A 118 14.370 35.896 -2.137 1.00 0.00 ATOM 962 C LEU A 118 14.599 36.758 -1.291 1.00 0.00 ATOM 963 N ASP A 119 15.648 37.569 -1.361 1.00 0.00 ATOM 964 CA ASP A 119 16.588 37.474 -2.471 1.00 0.00 ATOM 965 CB ASP A 119 17.442 38.742 -2.557 1.00 0.00 ATOM 966 CG ASP A 119 16.652 39.942 -3.041 1.00 0.00 ATOM 967 OD1 ASP A 119 15.531 39.748 -3.556 1.00 0.00 ATOM 968 OD2 ASP A 119 17.157 41.076 -2.907 1.00 0.00 ATOM 969 O ASP A 119 18.111 35.838 -3.344 1.00 0.00 ATOM 970 C ASP A 119 17.551 36.296 -2.344 1.00 0.00 ATOM 971 N LEU A 120 17.731 35.801 -1.107 1.00 0.00 ATOM 972 CA LEU A 120 18.658 34.687 -0.917 1.00 0.00 ATOM 973 CB LEU A 120 18.833 34.383 0.573 1.00 0.00 ATOM 974 CG LEU A 120 19.826 33.275 0.926 1.00 0.00 ATOM 975 CD1 LEU A 120 21.241 33.677 0.538 1.00 0.00 ATOM 976 CD2 LEU A 120 19.807 32.992 2.420 1.00 0.00 ATOM 977 O LEU A 120 17.091 32.883 -1.254 1.00 0.00 ATOM 978 C LEU A 120 18.158 33.434 -1.589 1.00 0.00 ATOM 979 N PRO A 121 18.958 32.851 -2.488 1.00 0.00 ATOM 980 CA PRO A 121 18.462 31.766 -3.343 1.00 0.00 ATOM 981 CB PRO A 121 19.584 31.555 -4.362 1.00 0.00 ATOM 982 CG PRO A 121 20.811 32.046 -3.673 1.00 0.00 ATOM 983 CD PRO A 121 20.377 33.204 -2.819 1.00 0.00 ATOM 984 O PRO A 121 17.388 29.635 -3.081 1.00 0.00 ATOM 985 C PRO A 121 18.174 30.458 -2.609 1.00 0.00 ATOM 986 N GLY A 122 18.790 30.296 -1.427 1.00 0.00 ATOM 987 CA GLY A 122 18.636 29.067 -0.671 1.00 0.00 ATOM 988 O GLY A 122 16.876 27.714 0.245 1.00 0.00 ATOM 989 C GLY A 122 17.230 28.830 -0.146 1.00 0.00 ATOM 990 N ILE A 123 16.420 29.879 -0.129 1.00 0.00 ATOM 991 CA ILE A 123 15.054 29.755 0.357 1.00 0.00 ATOM 992 CB ILE A 123 14.580 31.048 1.046 1.00 0.00 ATOM 993 CG1 ILE A 123 14.518 32.197 0.036 1.00 0.00 ATOM 994 CG2 ILE A 123 15.536 31.438 2.162 1.00 0.00 ATOM 995 CD1 ILE A 123 13.865 33.449 0.578 1.00 0.00 ATOM 996 O ILE A 123 12.887 29.397 -0.604 1.00 0.00 ATOM 997 C ILE A 123 14.101 29.462 -0.793 1.00 0.00 ATOM 998 N ASN A 124 14.683 29.291 -1.998 1.00 0.00 ATOM 999 CA ASN A 124 13.905 28.997 -3.204 1.00 0.00 ATOM 1000 CB ASN A 124 12.854 27.923 -2.914 1.00 0.00 ATOM 1001 CG ASN A 124 13.471 26.599 -2.506 1.00 0.00 ATOM 1002 ND2 ASN A 124 13.091 26.108 -1.333 1.00 0.00 ATOM 1003 OD1 ASN A 124 14.279 26.028 -3.238 1.00 0.00 ATOM 1004 O ASN A 124 12.093 30.026 -4.383 1.00 0.00 ATOM 1005 C ASN A 124 13.151 30.189 -3.777 1.00 0.00 ATOM 1006 N LEU A 125 13.796 31.467 -3.586 1.00 0.00 ATOM 1007 CA LEU A 125 13.094 32.639 -4.069 1.00 0.00 ATOM 1008 CB LEU A 125 12.487 33.438 -2.865 1.00 0.00 ATOM 1009 CG LEU A 125 11.839 32.601 -1.779 1.00 0.00 ATOM 1010 CD1 LEU A 125 11.322 33.515 -0.690 1.00 0.00 ATOM 1011 CD2 LEU A 125 10.709 31.734 -2.276 1.00 0.00 ATOM 1012 O LEU A 125 14.774 34.290 -4.554 1.00 0.00 ATOM 1013 C LEU A 125 14.049 33.387 -4.982 1.00 0.00 ATOM 1014 N GLU A 126 14.045 32.976 -6.275 1.00 0.00 ATOM 1015 CA GLU A 126 14.933 33.615 -7.267 1.00 0.00 ATOM 1016 CB GLU A 126 14.853 32.882 -8.607 1.00 0.00 ATOM 1017 CG GLU A 126 15.474 31.495 -8.595 1.00 0.00 ATOM 1018 CD GLU A 126 15.268 30.751 -9.899 1.00 0.00 ATOM 1019 OE1 GLU A 126 14.577 31.292 -10.788 1.00 0.00 ATOM 1020 OE2 GLU A 126 15.797 29.629 -10.033 1.00 0.00 ATOM 1021 O GLU A 126 15.417 35.956 -7.624 1.00 0.00 ATOM 1022 C GLU A 126 14.549 35.087 -7.508 1.00 0.00 ATOM 1023 N PHE A 127 13.249 35.384 -7.532 1.00 0.00 ATOM 1024 CA PHE A 127 12.783 36.753 -7.650 1.00 0.00 ATOM 1025 CB PHE A 127 12.805 37.203 -9.113 1.00 0.00 ATOM 1026 CG PHE A 127 12.554 38.673 -9.298 1.00 0.00 ATOM 1027 CD1 PHE A 127 13.522 39.602 -8.964 1.00 0.00 ATOM 1028 CD2 PHE A 127 11.349 39.125 -9.806 1.00 0.00 ATOM 1029 CE1 PHE A 127 13.292 40.954 -9.135 1.00 0.00 ATOM 1030 CE2 PHE A 127 11.117 40.476 -9.977 1.00 0.00 ATOM 1031 CZ PHE A 127 12.083 41.391 -9.644 1.00 0.00 ATOM 1032 O PHE A 127 10.777 35.818 -6.742 1.00 0.00 ATOM 1033 C PHE A 127 11.357 36.837 -7.121 1.00 0.00 ENDMDL EXPDTA 2hngA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hngA ATOM 1 C ALA 3 20.887 43.373 23.054 1.00 0.00 ATOM 2 N MET A 4 20.077 42.652 22.570 1.00 0.00 ATOM 3 CA MET A 4 19.002 41.876 23.137 1.00 0.00 ATOM 4 CB MET A 4 18.101 41.342 22.033 1.00 0.00 ATOM 5 CG MET A 4 17.401 42.419 21.257 1.00 0.00 ATOM 6 SD MET A 4 15.941 41.615 20.290 1.00 0.00 ATOM 7 CE MET A 4 14.454 41.904 21.562 1.00 0.00 ATOM 8 O MET A 4 20.563 40.097 23.439 1.00 0.00 ATOM 9 C MET A 4 19.598 40.715 23.893 1.00 0.00 ATOM 10 N ASN A 5 19.031 40.414 25.050 1.00 0.00 ATOM 11 CA ASN A 5 19.487 39.240 25.764 1.00 0.00 ATOM 12 CB ASN A 5 19.478 39.484 27.270 1.00 0.00 ATOM 13 CG ASN A 5 20.153 38.359 28.044 1.00 0.00 ATOM 14 ND2 ASN A 5 20.759 38.718 29.180 1.00 0.00 ATOM 15 OD1 ASN A 5 20.107 37.181 27.654 1.00 0.00 ATOM 16 O ASN A 5 17.474 37.991 26.089 1.00 0.00 ATOM 17 C ASN A 5 18.534 38.123 25.436 1.00 0.00 ATOM 18 N LEU A 6 18.878 37.358 24.398 1.00 0.00 ATOM 19 CA LEU A 6 18.033 36.265 23.943 1.00 0.00 ATOM 20 CB LEU A 6 17.897 36.310 22.418 1.00 0.00 ATOM 21 CG LEU A 6 17.264 37.569 21.829 1.00 0.00 ATOM 22 CD1 LEU A 6 17.144 37.396 20.339 1.00 0.00 ATOM 23 CD2 LEU A 6 15.856 37.823 22.424 1.00 0.00 ATOM 24 O LEU A 6 19.805 34.677 24.246 1.00 0.00 ATOM 25 C LEU A 6 18.596 34.905 24.333 1.00 0.00 ATOM 26 N LYS A 7 17.700 34.029 24.772 1.00 0.00 ATOM 27 CA LYS A 7 17.965 32.576 24.835 1.00 0.00 ATOM 28 CB LYS A 7 17.493 31.961 26.158 1.00 0.00 ATOM 29 CG LYS A 7 18.480 32.071 27.286 1.00 0.00 ATOM 30 CD LYS A 7 18.505 33.475 27.844 1.00 0.00 ATOM 31 CE LYS A 7 19.477 33.515 29.029 1.00 0.00 ATOM 32 NZ LYS A 7 19.792 34.913 29.424 1.00 0.00 ATOM 33 O LYS A 7 15.903 32.083 23.788 1.00 0.00 ATOM 34 C LYS A 7 17.128 31.924 23.764 1.00 0.00 ATOM 35 N ARG A 8 17.763 31.169 22.866 1.00 0.00 ATOM 36 CA ARG A 8 17.048 30.611 21.719 1.00 0.00 ATOM 37 CB ARG A 8 17.762 31.025 20.424 1.00 0.00 ATOM 38 CG ARG A 8 17.917 32.532 20.300 1.00 0.00 ATOM 39 CD ARG A 8 18.196 32.816 18.883 1.00 0.00 ATOM 40 NE ARG A 8 18.816 34.097 18.541 1.00 0.00 ATOM 41 CZ ARG A 8 18.195 35.044 17.836 1.00 0.00 ATOM 42 NH1 ARG A 8 16.895 34.912 17.569 1.00 0.00 ATOM 43 NH2 ARG A 8 18.841 36.119 17.414 1.00 0.00 ATOM 44 O ARG A 8 17.980 28.430 22.093 1.00 0.00 ATOM 45 C ARG A 8 16.981 29.100 21.770 1.00 0.00 ATOM 46 N GLU A 9 15.825 28.557 21.424 1.00 0.00 ATOM 47 CA GLU A 9 15.698 27.120 21.213 1.00 0.00 ATOM 48 CB GLU A 9 14.298 26.669 21.640 1.00 0.00 ATOM 49 CG GLU A 9 13.871 27.306 22.976 1.00 0.00 ATOM 50 CD GLU A 9 12.841 26.507 23.737 1.00 0.00 ATOM 51 OE1 GLU A 9 12.342 25.505 23.199 1.00 0.00 ATOM 52 OE2 GLU A 9 12.529 26.895 24.891 1.00 0.00 ATOM 53 O GLU A 9 16.148 27.685 18.913 1.00 0.00 ATOM 54 C GLU A 9 15.965 26.785 19.742 1.00 0.00 ATOM 55 N GLN A 10 16.015 25.496 19.413 1.00 0.00 ATOM 56 CA GLN A 10 16.338 25.069 18.049 1.00 0.00 ATOM 57 CB GLN A 10 16.368 23.560 17.975 1.00 0.00 ATOM 58 CG GLN A 10 16.874 23.096 16.651 1.00 0.00 ATOM 59 CD GLN A 10 18.167 22.365 16.834 1.00 0.00 ATOM 60 OE1 GLN A 10 18.171 21.214 17.319 1.00 0.00 ATOM 61 NE2 GLN A 10 19.286 23.026 16.509 1.00 0.00 ATOM 62 O GLN A 10 14.097 25.286 17.224 1.00 0.00 ATOM 63 C GLN A 10 15.298 25.536 17.045 1.00 0.00 ATOM 64 N GLU A 11 15.754 26.180 15.989 1.00 0.00 ATOM 65 CA GLU A 11 14.819 26.564 14.922 1.00 0.00 ATOM 66 CB GLU A 11 15.424 27.599 13.953 1.00 0.00 ATOM 67 CG GLU A 11 16.719 27.268 13.287 1.00 0.00 ATOM 68 CD GLU A 11 17.984 27.437 14.117 1.00 0.00 ATOM 69 OE1 GLU A 11 18.061 26.939 15.248 1.00 0.00 ATOM 70 OE2 GLU A 11 18.953 28.010 13.592 1.00 0.00 ATOM 71 O GLU A 11 14.819 24.233 14.259 1.00 0.00 ATOM 72 C GLU A 11 14.186 25.302 14.305 1.00 0.00 ATOM 73 N PHE A 12 12.936 25.438 13.844 1.00 0.00 ATOM 74 CA PHE A 12 12.042 24.330 13.468 1.00 0.00 ATOM 75 CB PHE A 12 10.984 24.179 14.574 1.00 0.00 ATOM 76 CG PHE A 12 9.996 23.053 14.360 1.00 0.00 ATOM 77 CD1 PHE A 12 10.390 21.717 14.463 1.00 0.00 ATOM 78 CD2 PHE A 12 8.667 23.336 14.105 1.00 0.00 ATOM 79 CE1 PHE A 12 9.477 20.673 14.275 1.00 0.00 ATOM 80 CE2 PHE A 12 7.741 22.287 13.918 1.00 0.00 ATOM 81 CZ PHE A 12 8.145 20.966 14.012 1.00 0.00 ATOM 82 O PHE A 12 10.770 25.681 11.948 1.00 0.00 ATOM 83 C PHE A 12 11.359 24.608 12.117 1.00 0.00 ATOM 84 N VAL A 13 11.455 23.665 11.165 1.00 0.00 ATOM 85 CA VAL A 13 10.729 23.781 9.904 1.00 0.00 ATOM 86 CB VAL A 13 11.538 23.146 8.756 1.00 0.00 ATOM 87 CG1 VAL A 13 10.811 23.329 7.469 1.00 0.00 ATOM 88 CG2 VAL A 13 12.931 23.758 8.700 1.00 0.00 ATOM 89 O VAL A 13 9.394 21.850 10.246 1.00 0.00 ATOM 90 C VAL A 13 9.410 23.070 10.038 1.00 0.00 ATOM 91 N SER A 14 8.316 23.818 9.945 1.00 0.00 ATOM 92 CA SER A 14 6.996 23.192 9.942 1.00 0.00 ATOM 93 CB SER A 14 5.925 24.165 10.431 1.00 0.00 ATOM 94 OG SER A 14 5.950 24.292 11.853 1.00 0.00 ATOM 95 O SER A 14 6.115 21.659 8.297 1.00 0.00 ATOM 96 C SER A 14 6.643 22.756 8.523 1.00 0.00 ATOM 97 N GLN A 15 6.991 23.606 7.564 1.00 0.00 ATOM 98 CA GLN A 15 6.628 23.369 6.178 1.00 0.00 ATOM 99 CB GLN A 15 5.237 23.966 5.949 1.00 0.00 ATOM 100 CG GLN A 15 4.644 23.805 4.575 1.00 0.00 ATOM 101 CD GLN A 15 3.291 24.536 4.421 1.00 0.00 ATOM 102 OE1 GLN A 15 3.049 25.220 3.412 1.00 0.00 ATOM 103 NE2 GLN A 15 2.404 24.388 5.429 1.00 0.00 ATOM 104 O GLN A 15 7.936 25.235 5.458 1.00 0.00 ATOM 105 C GLN A 15 7.649 24.049 5.276 1.00 0.00 ATOM 106 N TYR A 16 8.212 23.299 4.326 1.00 0.00 ATOM 107 CA TYR A 16 9.021 23.901 3.286 1.00 0.00 ATOM 108 CB TYR A 16 10.526 23.736 3.572 1.00 0.00 ATOM 109 CG TYR A 16 11.330 24.525 2.550 1.00 0.00 ATOM 110 CD1 TYR A 16 11.615 25.882 2.764 1.00 0.00 ATOM 111 CD2 TYR A 16 11.789 23.908 1.372 1.00 0.00 ATOM 112 CE1 TYR A 16 12.348 26.604 1.803 1.00 0.00 ATOM 113 CE2 TYR A 16 12.488 24.625 0.412 1.00 0.00 ATOM 114 CZ TYR A 16 12.766 25.968 0.644 1.00 0.00 ATOM 115 OH TYR A 16 13.472 26.642 -0.333 1.00 0.00 ATOM 116 O TYR A 16 8.902 22.025 1.819 1.00 0.00 ATOM 117 C TYR A 16 8.656 23.229 1.992 1.00 0.00 ATOM 118 N HIS A 17 8.014 23.992 1.102 1.00 0.00 ATOM 119 CA HIS A 17 7.479 23.435 -0.138 1.00 0.00 ATOM 120 CB HIS A 17 5.979 23.723 -0.225 1.00 0.00 ATOM 121 CG HIS A 17 5.144 22.922 0.731 1.00 0.00 ATOM 122 CD2 HIS A 17 5.488 22.138 1.779 1.00 0.00 ATOM 123 ND1 HIS A 17 3.764 22.878 0.651 1.00 0.00 ATOM 124 CE1 HIS A 17 3.299 22.124 1.638 1.00 0.00 ATOM 125 NE2 HIS A 17 4.324 21.655 2.328 1.00 0.00 ATOM 126 O HIS A 17 8.097 25.372 -1.373 1.00 0.00 ATOM 127 C HIS A 17 8.110 24.140 -1.317 1.00 0.00 ATOM 128 N PHE A 18 8.557 23.347 -2.276 1.00 0.00 ATOM 129 CA PHE A 18 8.929 23.818 -3.611 1.00 0.00 ATOM 130 CB PHE A 18 10.242 23.161 -4.023 1.00 0.00 ATOM 131 CG PHE A 18 10.673 23.436 -5.442 1.00 0.00 ATOM 132 CD1 PHE A 18 11.662 24.405 -5.680 1.00 0.00 ATOM 133 CD2 PHE A 18 10.134 22.743 -6.542 1.00 0.00 ATOM 134 CE1 PHE A 18 12.081 24.672 -6.994 1.00 0.00 ATOM 135 CE2 PHE A 18 10.540 23.020 -7.868 1.00 0.00 ATOM 136 CZ PHE A 18 11.529 23.961 -8.087 1.00 0.00 ATOM 137 O PHE A 18 7.568 22.109 -4.558 1.00 0.00 ATOM 138 C PHE A 18 7.845 23.318 -4.522 1.00 0.00 ATOM 139 N ASP A 19 7.258 24.225 -5.306 1.00 0.00 ATOM 140 CA ASP A 19 6.263 23.805 -6.292 1.00 0.00 ATOM 141 CB ASP A 19 4.852 24.176 -5.823 1.00 0.00 ATOM 142 CG ASP A 19 4.444 23.444 -4.557 1.00 0.00 ATOM 143 OD1 ASP A 19 4.041 22.286 -4.697 1.00 0.00 ATOM 144 OD2 ASP A 19 4.542 24.007 -3.449 1.00 0.00 ATOM 145 O ASP A 19 6.583 25.687 -7.695 1.00 0.00 ATOM 146 C ASP A 19 6.468 24.479 -7.633 1.00 0.00 ATOM 147 N ALA A 20 6.505 23.702 -8.703 1.00 0.00 ATOM 148 CA ALA A 20 6.524 24.280 -10.064 1.00 0.00 ATOM 149 CB ALA A 20 6.609 23.140 -11.117 1.00 0.00 ATOM 150 O ALA A 20 4.183 24.555 -9.768 1.00 0.00 ATOM 151 C ALA A 20 5.228 25.016 -10.232 1.00 0.00 ATOM 152 N ARG A 21 5.272 26.179 -10.896 1.00 0.00 ATOM 153 CA ARG A 21 4.039 26.918 -11.168 1.00 0.00 ATOM 154 CB ARG A 21 4.371 28.343 -11.632 1.00 0.00 ATOM 155 CG ARG A 21 4.870 29.184 -10.481 1.00 0.00 ATOM 156 CD ARG A 21 5.389 30.528 -10.919 1.00 0.00 ATOM 157 NE ARG A 21 4.315 31.421 -11.327 1.00 0.00 ATOM 158 CZ ARG A 21 4.469 32.717 -11.644 1.00 0.00 ATOM 159 NH1 ARG A 21 5.665 33.314 -11.621 1.00 0.00 ATOM 160 NH2 ARG A 21 3.393 33.420 -11.983 1.00 0.00 ATOM 161 O ARG A 21 3.654 25.561 -13.117 1.00 0.00 ATOM 162 C ARG A 21 3.160 26.167 -12.174 1.00 0.00 ATOM 163 N ASN A 22 1.856 26.230 -11.931 1.00 0.00 ATOM 164 CA ASN A 22 0.886 25.594 -12.771 1.00 0.00 ATOM 165 CB ASN A 22 -0.109 24.869 -11.879 1.00 0.00 ATOM 166 CG ASN A 22 -1.219 24.168 -12.663 1.00 0.00 ATOM 167 ND2 ASN A 22 -1.670 23.044 -12.123 1.00 0.00 ATOM 168 OD1 ASN A 22 -1.661 24.617 -13.729 1.00 0.00 ATOM 169 O ASN A 22 -0.626 27.399 -13.000 1.00 0.00 ATOM 170 C ASN A 22 0.218 26.722 -13.537 1.00 0.00 ATOM 171 N PHE A 23 0.652 26.960 -14.763 1.00 0.00 ATOM 172 CA PHE A 23 0.176 28.155 -15.484 1.00 0.00 ATOM 173 CB PHE A 23 1.141 28.542 -16.577 1.00 0.00 ATOM 174 CG PHE A 23 2.440 29.049 -16.021 1.00 0.00 ATOM 175 CD1 PHE A 23 2.457 30.262 -15.387 1.00 0.00 ATOM 176 CD2 PHE A 23 3.600 28.282 -16.079 1.00 0.00 ATOM 177 CE1 PHE A 23 3.615 30.768 -14.831 1.00 0.00 ATOM 178 CE2 PHE A 23 4.788 28.798 -15.506 1.00 0.00 ATOM 179 CZ PHE A 23 4.758 30.039 -14.876 1.00 0.00 ATOM 180 O PHE A 23 -1.966 29.032 -16.104 1.00 0.00 ATOM 181 C PHE A 23 -1.267 28.031 -15.958 1.00 0.00 ATOM 182 N GLU A 24 -1.709 26.795 -16.146 1.00 0.00 ATOM 183 CA GLU A 24 -3.122 26.524 -16.435 1.00 0.00 ATOM 184 CB GLU A 24 -3.296 25.028 -16.752 1.00 0.00 ATOM 185 CG GLU A 24 -4.758 24.535 -16.808 1.00 0.00 ATOM 186 CD GLU A 24 -5.522 25.088 -17.984 1.00 0.00 ATOM 187 OE1 GLU A 24 -4.902 25.293 -19.053 1.00 0.00 ATOM 188 OE2 GLU A 24 -6.752 25.310 -17.837 1.00 0.00 ATOM 189 O GLU A 24 -4.921 27.697 -15.380 1.00 0.00 ATOM 190 C GLU A 24 -3.971 26.952 -15.234 1.00 0.00 ATOM 191 N TRP A 25 -3.609 26.486 -14.033 1.00 0.00 ATOM 192 CA TRP A 25 -4.270 26.917 -12.810 1.00 0.00 ATOM 193 CB TRP A 25 -3.645 26.222 -11.595 1.00 0.00 ATOM 194 CG TRP A 25 -4.386 26.482 -10.326 1.00 0.00 ATOM 195 CD1 TRP A 25 -5.387 25.716 -9.789 1.00 0.00 ATOM 196 CD2 TRP A 25 -4.186 27.577 -9.422 1.00 0.00 ATOM 197 CE2 TRP A 25 -5.112 27.416 -8.361 1.00 0.00 ATOM 198 CE3 TRP A 25 -3.315 28.677 -9.401 1.00 0.00 ATOM 199 NE1 TRP A 25 -5.829 26.274 -8.612 1.00 0.00 ATOM 200 CZ2 TRP A 25 -5.191 28.314 -7.295 1.00 0.00 ATOM 201 CZ3 TRP A 25 -3.396 29.573 -8.348 1.00 0.00 ATOM 202 CH2 TRP A 25 -4.332 29.386 -7.302 1.00 0.00 ATOM 203 O TRP A 25 -5.245 29.058 -12.312 1.00 0.00 ATOM 204 C TRP A 25 -4.231 28.435 -12.647 1.00 0.00 ATOM 205 N GLU A 26 -3.074 29.055 -12.893 1.00 0.00 ATOM 206 CA GLU A 26 -2.963 30.508 -12.724 1.00 0.00 ATOM 207 CB GLU A 26 -1.513 30.999 -12.780 1.00 0.00 ATOM 208 CG GLU A 26 -0.628 30.426 -11.677 1.00 0.00 ATOM 209 CD GLU A 26 0.772 30.967 -11.745 1.00 0.00 ATOM 210 OE1 GLU A 26 0.997 31.992 -12.452 1.00 0.00 ATOM 211 OE2 GLU A 26 1.646 30.365 -11.076 1.00 0.00 ATOM 212 O GLU A 26 -4.262 32.374 -13.500 1.00 0.00 ATOM 213 C GLU A 26 -3.806 31.263 -13.750 1.00 0.00 ATOM 214 N ASN A 27 -3.990 30.681 -14.928 1.00 0.00 ATOM 215 CA ASN A 27 -4.829 31.347 -15.908 1.00 0.00 ATOM 216 CB ASN A 27 -4.890 30.560 -17.209 1.00 0.00 ATOM 217 CG ASN A 27 -5.846 31.197 -18.202 1.00 0.00 ATOM 218 ND2 ASN A 27 -5.436 32.318 -18.754 1.00 0.00 ATOM 219 OD1 ASN A 27 -6.971 30.705 -18.420 1.00 0.00 ATOM 220 O ASN A 27 -6.845 32.622 -15.583 1.00 0.00 ATOM 221 C ASN A 27 -6.247 31.567 -15.359 1.00 0.00 ATOM 222 N GLU A 28 -6.786 30.567 -14.674 1.00 0.00 ATOM 223 CA GLU A 28 -8.111 30.698 -14.078 1.00 0.00 ATOM 224 CB GLU A 28 -8.681 29.323 -13.708 1.00 0.00 ATOM 225 CG GLU A 28 -9.632 28.733 -14.749 1.00 0.00 ATOM 226 CD GLU A 28 -10.885 29.572 -14.941 1.00 0.00 ATOM 227 OE1 GLU A 28 -10.958 30.314 -15.938 1.00 0.00 ATOM 228 OE2 GLU A 28 -11.790 29.504 -14.087 1.00 0.00 ATOM 229 O GLU A 28 -8.913 32.481 -12.687 1.00 0.00 ATOM 230 C GLU A 28 -8.074 31.590 -12.841 1.00 0.00 ATOM 231 N ASN A 29 -7.068 31.351 -11.994 1.00 0.00 ATOM 232 CA ASN A 29 -7.055 31.780 -10.580 1.00 0.00 ATOM 233 CB ASN A 29 -6.701 30.576 -9.699 1.00 0.00 ATOM 234 CG ASN A 29 -7.729 29.479 -9.788 1.00 0.00 ATOM 235 ND2 ASN A 29 -7.311 28.291 -10.204 1.00 0.00 ATOM 236 OD1 ASN A 29 -8.899 29.703 -9.491 1.00 0.00 ATOM 237 O ASN A 29 -6.246 33.508 -9.134 1.00 0.00 ATOM 238 C ASN A 29 -6.146 32.945 -10.228 1.00 0.00 ATOM 239 N GLY A 30 -5.272 33.321 -11.146 1.00 0.00 ATOM 240 CA GLY A 30 -4.412 34.477 -10.958 1.00 0.00 ATOM 241 O GLY A 30 -3.013 32.877 -9.906 1.00 0.00 ATOM 242 C GLY A 30 -3.082 33.967 -10.475 1.00 0.00 ATOM 243 N ALA A 31 -2.034 34.743 -10.723 1.00 0.00 ATOM 244 CA ALA A 31 -0.689 34.344 -10.336 1.00 0.00 ATOM 245 CB ALA A 31 0.352 35.093 -11.149 1.00 0.00 ATOM 246 O ALA A 31 -1.089 35.556 -8.305 1.00 0.00 ATOM 247 C ALA A 31 -0.507 34.610 -8.842 1.00 0.00 ATOM 248 N PRO A 32 0.278 33.755 -8.162 1.00 0.00 ATOM 249 CA PRO A 32 0.591 33.963 -6.755 1.00 0.00 ATOM 250 CB PRO A 32 1.354 32.685 -6.377 1.00 0.00 ATOM 251 CG PRO A 32 1.974 32.222 -7.653 1.00 0.00 ATOM 252 CD PRO A 32 0.933 32.546 -8.705 1.00 0.00 ATOM 253 O PRO A 32 2.192 35.538 -7.585 1.00 0.00 ATOM 254 C PRO A 32 1.493 35.175 -6.627 1.00 0.00 ATOM 255 N GLU A 33 1.447 35.822 -5.457 1.00 0.00 ATOM 256 CA GLU A 33 2.325 36.963 -5.152 1.00 0.00 ATOM 257 CB GLU A 33 1.516 38.227 -4.814 1.00 0.00 ATOM 258 CG GLU A 33 2.361 39.522 -4.878 1.00 0.00 ATOM 259 CD GLU A 33 1.615 40.809 -4.475 1.00 0.00 ATOM 260 OE1 GLU A 33 0.370 40.792 -4.320 1.00 0.00 ATOM 261 OE2 GLU A 33 2.291 41.851 -4.309 1.00 0.00 ATOM 262 O GLU A 33 2.896 35.931 -3.053 1.00 0.00 ATOM 263 C GLU A 33 3.266 36.650 -3.982 1.00 0.00 ATOM 264 N THR A 34 4.480 37.194 -4.048 1.00 0.00 ATOM 265 CA THR A 34 5.436 37.089 -2.949 1.00 0.00 ATOM 266 CB THR A 34 6.838 37.598 -3.372 1.00 0.00 ATOM 267 CG2 THR A 34 7.806 37.654 -2.197 1.00 0.00 ATOM 268 OG1 THR A 34 7.384 36.739 -4.376 1.00 0.00 ATOM 269 O THR A 34 4.487 38.969 -1.744 1.00 0.00 ATOM 270 C THR A 34 4.937 37.804 -1.687 1.00 0.00 ATOM 271 N LYS A 35 5.007 37.108 -0.553 1.00 0.00 ATOM 272 CA LYS A 35 4.683 37.690 0.745 1.00 0.00 ATOM 273 CB LYS A 35 3.203 37.475 1.037 1.00 0.00 ATOM 274 CG LYS A 35 2.668 38.230 2.265 1.00 0.00 ATOM 275 CD LYS A 35 1.147 37.989 2.452 1.00 0.00 ATOM 276 CE LYS A 35 0.632 38.655 3.763 1.00 0.00 ATOM 277 NZ LYS A 35 -0.352 37.753 4.495 1.00 0.00 ATOM 278 O LYS A 35 5.540 35.728 1.802 1.00 0.00 ATOM 279 C LYS A 35 5.525 36.958 1.785 1.00 0.00 ATOM 280 N VAL A 36 6.174 37.716 2.662 1.00 0.00 ATOM 281 CA VAL A 36 7.025 37.134 3.711 1.00 0.00 ATOM 282 CB VAL A 36 8.530 37.315 3.413 1.00 0.00 ATOM 283 CG1 VAL A 36 9.393 36.785 4.578 1.00 0.00 ATOM 284 CG2 VAL A 36 8.947 36.609 2.102 1.00 0.00 ATOM 285 O VAL A 36 6.604 39.144 4.919 1.00 0.00 ATOM 286 C VAL A 36 6.655 37.907 4.948 1.00 0.00 ATOM 287 N ASP A 37 6.414 37.194 6.039 1.00 0.00 ATOM 288 CA ASP A 37 5.908 37.818 7.260 1.00 0.00 ATOM 289 CB ASP A 37 4.382 37.673 7.321 1.00 0.00 ATOM 290 CG ASP A 37 3.714 38.733 8.197 1.00 0.00 ATOM 291 OD1 ASP A 37 2.473 38.664 8.364 1.00 0.00 ATOM 292 OD2 ASP A 37 4.409 39.629 8.716 1.00 0.00 ATOM 293 O ASP A 37 6.737 35.954 8.530 1.00 0.00 ATOM 294 C ASP A 37 6.521 37.170 8.490 1.00 0.00 ATOM 295 N VAL A 38 6.758 37.990 9.507 1.00 0.00 ATOM 296 CA VAL A 38 7.187 37.513 10.806 1.00 0.00 ATOM 297 CB VAL A 38 8.504 38.167 11.254 1.00 0.00 ATOM 298 CG1 VAL A 38 8.817 37.725 12.704 1.00 0.00 ATOM 299 CG2 VAL A 38 9.612 37.810 10.306 1.00 0.00 ATOM 300 O VAL A 38 5.649 39.036 11.858 1.00 0.00 ATOM 301 C VAL A 38 6.082 37.859 11.791 1.00 0.00 ATOM 302 N ASN A 39 5.609 36.836 12.490 1.00 0.00 ATOM 303 CA ASN A 39 4.637 36.942 13.566 1.00 0.00 ATOM 304 CB ASN A 39 3.314 36.320 13.139 1.00 0.00 ATOM 305 CG ASN A 39 2.600 37.149 12.085 1.00 0.00 ATOM 306 ND2 ASN A 39 2.645 36.696 10.827 1.00 0.00 ATOM 307 OD1 ASN A 39 2.012 38.187 12.400 1.00 0.00 ATOM 308 O ASN A 39 6.089 35.496 14.847 1.00 0.00 ATOM 309 C ASN A 39 5.122 36.274 14.848 1.00 0.00 ATOM 310 N PHE A 40 4.429 36.589 15.944 1.00 0.00 ATOM 311 CA PHE A 40 4.848 36.180 17.285 1.00 0.00 ATOM 312 CB PHE A 40 5.358 37.395 18.068 1.00 0.00 ATOM 313 CG PHE A 40 6.566 38.040 17.454 1.00 0.00 ATOM 314 CD1 PHE A 40 7.826 37.482 17.620 1.00 0.00 ATOM 315 CD2 PHE A 40 6.442 39.183 16.672 1.00 0.00 ATOM 316 CE1 PHE A 40 8.944 38.077 17.038 1.00 0.00 ATOM 317 CE2 PHE A 40 7.564 39.786 16.090 1.00 0.00 ATOM 318 CZ PHE A 40 8.816 39.225 16.279 1.00 0.00 ATOM 319 O PHE A 40 2.603 36.113 18.020 1.00 0.00 ATOM 320 C PHE A 40 3.709 35.588 18.055 1.00 0.00 ATOM 321 N GLN A 41 3.983 34.470 18.724 1.00 0.00 ATOM 322 CA GLN A 41 3.038 33.860 19.659 1.00 0.00 ATOM 323 CB GLN A 41 2.727 32.397 19.289 1.00 0.00 ATOM 324 CG GLN A 41 1.827 31.679 20.311 1.00 0.00 ATOM 325 CD GLN A 41 1.038 30.514 19.727 1.00 0.00 ATOM 326 OE1 GLN A 41 1.583 29.436 19.468 1.00 0.00 ATOM 327 NE2 GLN A 41 -0.264 30.722 19.543 1.00 0.00 ATOM 328 O GLN A 41 4.738 33.433 21.285 1.00 0.00 ATOM 329 C GLN A 41 3.642 33.930 21.055 1.00 0.00 ATOM 330 N LEU A 42 2.925 34.549 21.988 1.00 0.00 ATOM 331 CA LEU A 42 3.354 34.538 23.389 1.00 0.00 ATOM 332 CB LEU A 42 2.578 35.571 24.214 1.00 0.00 ATOM 333 CG LEU A 42 2.891 37.041 23.966 1.00 0.00 ATOM 334 CD1 LEU A 42 2.034 37.896 24.882 1.00 0.00 ATOM 335 CD2 LEU A 42 4.363 37.333 24.208 1.00 0.00 ATOM 336 O LEU A 42 2.173 32.484 23.762 1.00 0.00 ATOM 337 C LEU A 42 3.179 33.163 24.001 1.00 0.00 ATOM 338 N LEU A 43 4.174 32.750 24.780 1.00 0.00 ATOM 339 CA LEU A 43 4.122 31.477 25.466 1.00 0.00 ATOM 340 CB LEU A 43 5.350 30.638 25.136 1.00 0.00 ATOM 341 CG LEU A 43 5.484 30.167 23.688 1.00 0.00 ATOM 342 CD1 LEU A 43 6.848 29.534 23.523 1.00 0.00 ATOM 343 CD2 LEU A 43 4.400 29.159 23.356 1.00 0.00 ATOM 344 O LEU A 43 3.290 30.931 27.648 1.00 0.00 ATOM 345 C LEU A 43 4.014 31.666 26.970 1.00 0.00 ATOM 346 N GLN A 44 4.750 32.643 27.494 1.00 0.00 ATOM 347 CA GLN A 44 4.850 32.823 28.941 1.00 0.00 ATOM 348 CB GLN A 44 5.708 31.718 29.555 1.00 0.00 ATOM 349 CG GLN A 44 5.677 31.656 31.083 1.00 0.00 ATOM 350 CD GLN A 44 6.649 30.634 31.622 1.00 0.00 ATOM 351 OE1 GLN A 44 7.848 30.908 31.768 1.00 0.00 ATOM 352 NE2 GLN A 44 6.144 29.439 31.910 1.00 0.00 ATOM 353 O GLN A 44 6.352 34.664 28.583 1.00 0.00 ATOM 354 C GLN A 44 5.455 34.169 29.281 1.00 0.00 ATOM 355 N HIS A 45 4.925 34.774 30.339 1.00 0.00 ATOM 356 CA HIS A 45 5.567 35.897 31.003 1.00 0.00 ATOM 357 CB HIS A 45 4.604 37.077 31.172 1.00 0.00 ATOM 358 CG HIS A 45 4.282 37.789 29.896 1.00 0.00 ATOM 359 CD2 HIS A 45 5.087 38.359 28.968 1.00 0.00 ATOM 360 ND1 HIS A 45 2.991 37.976 29.449 1.00 0.00 ATOM 361 CE1 HIS A 45 3.014 38.635 28.304 1.00 0.00 ATOM 362 NE2 HIS A 45 4.276 38.877 27.989 1.00 0.00 ATOM 363 O HIS A 45 5.144 34.960 33.168 1.00 0.00 ATOM 364 C HIS A 45 5.988 35.372 32.361 1.00 0.00 ATOM 365 N ASP A 46 7.294 35.341 32.593 1.00 0.00 ATOM 366 CA ASP A 46 7.836 34.978 33.882 1.00 0.00 ATOM 367 CB ASP A 46 9.125 34.175 33.691 1.00 0.00 ATOM 368 CG ASP A 46 9.810 33.826 34.990 1.00 0.00 ATOM 369 OD1 ASP A 46 9.503 34.435 36.044 1.00 0.00 ATOM 370 OD2 ASP A 46 10.681 32.936 34.950 1.00 0.00 ATOM 371 O ASP A 46 9.093 36.967 34.358 1.00 0.00 ATOM 372 C ASP A 46 8.089 36.297 34.608 1.00 0.00 ATOM 373 N GLN A 47 7.166 36.675 35.495 1.00 0.00 ATOM 374 CA GLN A 47 7.278 37.956 36.206 1.00 0.00 ATOM 375 CB GLN A 47 5.977 38.301 36.948 1.00 0.00 ATOM 376 CG GLN A 47 4.789 38.561 36.020 1.00 0.00 ATOM 377 CD GLN A 47 4.942 39.814 35.157 1.00 0.00 ATOM 378 OE1 GLN A 47 5.796 40.671 35.412 1.00 0.00 ATOM 379 NE2 GLN A 47 4.104 39.925 34.130 1.00 0.00 ATOM 380 O GLN A 47 9.236 39.006 37.114 1.00 0.00 ATOM 381 C GLN A 47 8.488 38.025 37.138 1.00 0.00 ATOM 382 N GLU A 48 8.693 36.976 37.931 1.00 0.00 ATOM 383 CA GLU A 48 9.821 36.917 38.873 1.00 0.00 ATOM 384 CB GLU A 48 9.853 35.574 39.620 1.00 0.00 ATOM 385 CG GLU A 48 8.544 35.212 40.325 1.00 0.00 ATOM 386 CD GLU A 48 8.296 33.698 40.391 1.00 0.00 ATOM 387 OE1 GLU A 48 8.740 32.966 39.470 1.00 0.00 ATOM 388 OE2 GLU A 48 7.640 33.241 41.361 1.00 0.00 ATOM 389 O GLU A 48 11.970 37.954 38.638 1.00 0.00 ATOM 390 C GLU A 48 11.160 37.147 38.182 1.00 0.00 ATOM 391 N ASN A 49 11.385 36.444 37.074 1.00 0.00 ATOM 392 CA ASN A 49 12.663 36.545 36.376 1.00 0.00 ATOM 393 CB ASN A 49 13.098 35.181 35.860 1.00 0.00 ATOM 394 CG ASN A 49 13.396 34.215 36.985 1.00 0.00 ATOM 395 ND2 ASN A 49 14.318 34.598 37.861 1.00 0.00 ATOM 396 OD1 ASN A 49 12.786 33.146 37.080 1.00 0.00 ATOM 397 O ASN A 49 13.754 37.853 34.711 1.00 0.00 ATOM 398 C ASN A 49 12.682 37.569 35.260 1.00 0.00 ATOM 399 N GLN A 50 11.505 38.109 34.934 1.00 0.00 ATOM 400 CA GLN A 50 11.349 39.122 33.888 1.00 0.00 ATOM 401 CB GLN A 50 12.119 40.394 34.262 1.00 0.00 ATOM 402 CG GLN A 50 11.721 41.664 33.516 1.00 0.00 ATOM 403 CD GLN A 50 12.509 42.884 33.987 1.00 0.00 ATOM 404 OE1 GLN A 50 13.580 42.760 34.580 1.00 0.00 ATOM 405 NE2 GLN A 50 11.977 44.066 33.721 1.00 0.00 ATOM 406 O GLN A 50 12.728 39.060 31.912 1.00 0.00 ATOM 407 C GLN A 50 11.802 38.552 32.537 1.00 0.00 ATOM 408 N VAL A 51 11.141 37.483 32.105 1.00 0.00 ATOM 409 CA VAL A 51 11.468 36.829 30.843 1.00 0.00 ATOM 410 CB VAL A 51 12.061 35.422 31.074 1.00 0.00 ATOM 411 CG1 VAL A 51 12.355 34.735 29.757 1.00 0.00 ATOM 412 CG2 VAL A 51 13.338 35.480 31.884 1.00 0.00 ATOM 413 O VAL A 51 9.233 36.078 30.525 1.00 0.00 ATOM 414 C VAL A 51 10.205 36.649 30.032 1.00 0.00 ATOM 415 N THR A 52 10.194 37.114 28.787 1.00 0.00 ATOM 416 CA THR A 52 9.083 36.702 27.944 1.00 0.00 ATOM 417 CB THR A 52 8.149 37.862 27.442 1.00 0.00 ATOM 418 CG2 THR A 52 8.685 39.212 27.775 1.00 0.00 ATOM 419 OG1 THR A 52 7.845 37.749 26.040 1.00 0.00 ATOM 420 O THR A 52 10.477 35.802 26.210 1.00 0.00 ATOM 421 C THR A 52 9.487 35.640 26.920 1.00 0.00 ATOM 422 N SER A 53 8.747 34.538 26.935 1.00 0.00 ATOM 423 CA SER A 53 8.968 33.452 26.016 1.00 0.00 ATOM 424 CB SER A 53 8.805 32.117 26.723 1.00 0.00 ATOM 425 OG SER A 53 9.691 32.018 27.818 1.00 0.00 ATOM 426 O SER A 53 6.750 33.872 25.159 1.00 0.00 ATOM 427 C SER A 53 7.950 33.608 24.910 1.00 0.00 ATOM 428 N LEU A 54 8.405 33.474 23.677 1.00 0.00 ATOM 429 CA LEU A 54 7.464 33.538 22.570 1.00 0.00 ATOM 430 CB LEU A 54 7.308 34.973 22.067 1.00 0.00 ATOM 431 CG LEU A 54 8.555 35.847 21.897 1.00 0.00 ATOM 432 CD1 LEU A 54 9.304 35.570 20.597 1.00 0.00 ATOM 433 CD2 LEU A 54 8.148 37.312 21.971 1.00 0.00 ATOM 434 O LEU A 54 9.086 32.123 21.526 1.00 0.00 ATOM 435 C LEU A 54 7.960 32.627 21.475 1.00 0.00 ATOM 436 N ILE A 55 7.100 32.418 20.492 1.00 0.00 ATOM 437 CA ILE A 55 7.485 31.732 19.278 1.00 0.00 ATOM 438 CB ILE A 55 6.448 30.685 18.777 1.00 0.00 ATOM 439 CG1 ILE A 55 5.879 29.794 19.898 1.00 0.00 ATOM 440 CG2 ILE A 55 7.066 29.835 17.655 1.00 0.00 ATOM 441 CD1 ILE A 55 4.626 29.015 19.439 1.00 0.00 ATOM 442 O ILE A 55 6.682 33.609 17.972 1.00 0.00 ATOM 443 C ILE A 55 7.604 32.806 18.191 1.00 0.00 ATOM 444 N VAL A 56 8.742 32.832 17.503 1.00 0.00 ATOM 445 CA VAL A 56 8.914 33.660 16.325 1.00 0.00 ATOM 446 CB VAL A 56 10.388 34.089 16.190 1.00 0.00 ATOM 447 CG1 VAL A 56 10.575 34.950 14.949 1.00 0.00 ATOM 448 CG2 VAL A 56 10.861 34.812 17.477 1.00 0.00 ATOM 449 O VAL A 56 9.119 31.710 14.959 1.00 0.00 ATOM 450 C VAL A 56 8.576 32.811 15.120 1.00 0.00 ATOM 451 N ILE A 57 7.669 33.298 14.282 1.00 0.00 ATOM 452 CA ILE A 57 7.147 32.466 13.196 1.00 0.00 ATOM 453 CB ILE A 57 5.613 32.216 13.352 1.00 0.00 ATOM 454 CG1 ILE A 57 5.297 31.552 14.700 1.00 0.00 ATOM 455 CG2 ILE A 57 5.099 31.392 12.169 1.00 0.00 ATOM 456 CD1 ILE A 57 3.798 31.686 15.146 1.00 0.00 ATOM 457 O ILE A 57 6.768 34.253 11.648 1.00 0.00 ATOM 458 C ILE A 57 7.358 33.194 11.889 1.00 0.00 ATOM 459 N LEU A 58 8.136 32.598 11.005 1.00 0.00 ATOM 460 CA LEU A 58 8.429 33.193 9.715 1.00 0.00 ATOM 461 CB LEU A 58 9.913 32.994 9.363 1.00 0.00 ATOM 462 CG LEU A 58 10.365 33.380 7.954 1.00 0.00 ATOM 463 CD1 LEU A 58 10.247 34.915 7.731 1.00 0.00 ATOM 464 CD2 LEU A 58 11.826 33.038 7.872 1.00 0.00 ATOM 465 O LEU A 58 7.847 31.216 8.478 1.00 0.00 ATOM 466 C LEU A 58 7.623 32.419 8.681 1.00 0.00 ATOM 467 N SER A 59 6.685 33.086 8.025 1.00 0.00 ATOM 468 CA SER A 59 5.896 32.428 6.980 1.00 0.00 ATOM 469 CB SER A 59 4.400 32.473 7.320 1.00 0.00 ATOM 470 OG SER A 59 3.987 33.805 7.533 1.00 0.00 ATOM 471 O SER A 59 6.378 34.316 5.579 1.00 0.00 ATOM 472 C SER A 59 6.178 33.102 5.646 1.00 0.00 ATOM 473 N PHE A 60 6.191 32.322 4.568 1.00 0.00 ATOM 474 CA PHE A 60 6.672 32.840 3.304 1.00 0.00 ATOM 475 CB PHE A 60 8.233 32.715 3.244 1.00 0.00 ATOM 476 CG PHE A 60 8.725 31.344 3.638 1.00 0.00 ATOM 477 CD1 PHE A 60 8.873 30.359 2.666 1.00 0.00 ATOM 478 CD2 PHE A 60 8.985 31.026 4.979 1.00 0.00 ATOM 479 CE1 PHE A 60 9.315 29.063 3.018 1.00 0.00 ATOM 480 CE2 PHE A 60 9.422 29.739 5.318 1.00 0.00 ATOM 481 CZ PHE A 60 9.535 28.759 4.342 1.00 0.00 ATOM 482 O PHE A 60 5.673 30.996 2.138 1.00 0.00 ATOM 483 C PHE A 60 6.032 32.200 2.111 1.00 0.00 ATOM 484 N MET A 61 5.825 33.008 1.078 1.00 0.00 ATOM 485 CA MET A 61 5.540 32.516 -0.265 1.00 0.00 ATOM 486 CB MET A 61 4.050 32.608 -0.596 1.00 0.00 ATOM 487 CG MET A 61 3.757 32.575 -2.071 1.00 0.00 ATOM 488 SD MET A 61 1.867 32.146 -2.385 1.00 0.00 ATOM 489 CE MET A 61 1.984 30.331 -1.842 1.00 0.00 ATOM 490 O MET A 61 6.226 34.641 -1.095 1.00 0.00 ATOM 491 C MET A 61 6.351 33.415 -1.157 1.00 0.00 ATOM 492 N ILE A 62 7.234 32.790 -1.927 1.00 0.00 ATOM 493 CA ILE A 62 8.214 33.513 -2.735 1.00 0.00 ATOM 494 CB ILE A 62 9.654 33.347 -2.210 1.00 0.00 ATOM 495 CG1 ILE A 62 9.739 33.550 -0.674 1.00 0.00 ATOM 496 CG2 ILE A 62 10.603 34.320 -2.965 1.00 0.00 ATOM 497 CD1 ILE A 62 11.131 33.102 -0.068 1.00 0.00 ATOM 498 O ILE A 62 8.313 31.818 -4.429 1.00 0.00 ATOM 499 C ILE A 62 8.097 32.995 -4.160 1.00 0.00 ATOM 500 N VAL A 63 7.738 33.902 -5.066 1.00 0.00 ATOM 501 CA VAL A 63 7.346 33.548 -6.420 1.00 0.00 ATOM 502 CB VAL A 63 6.069 34.330 -6.827 1.00 0.00 ATOM 503 CG1 VAL A 63 5.628 34.016 -8.293 1.00 0.00 ATOM 504 CG2 VAL A 63 4.952 34.003 -5.853 1.00 0.00 ATOM 505 O VAL A 63 8.989 35.000 -7.441 1.00 0.00 ATOM 506 C VAL A 63 8.489 33.839 -7.374 1.00 0.00 ATOM 507 N PHE A 64 8.919 32.797 -8.087 1.00 0.00 ATOM 508 CA PHE A 64 9.961 32.916 -9.083 1.00 0.00 ATOM 509 CB PHE A 64 11.054 31.876 -8.844 1.00 0.00 ATOM 510 CG PHE A 64 11.864 32.148 -7.619 1.00 0.00 ATOM 511 CD1 PHE A 64 13.028 32.911 -7.701 1.00 0.00 ATOM 512 CD2 PHE A 64 11.442 31.675 -6.381 1.00 0.00 ATOM 513 CE1 PHE A 64 13.780 33.193 -6.567 1.00 0.00 ATOM 514 CE2 PHE A 64 12.186 31.941 -5.240 1.00 0.00 ATOM 515 CZ PHE A 64 13.356 32.697 -5.335 1.00 0.00 ATOM 516 O PHE A 64 8.125 32.446 -10.531 1.00 0.00 ATOM 517 C PHE A 64 9.322 32.705 -10.462 1.00 0.00 ATOM 518 N ASP A 65 10.097 32.831 -11.541 1.00 0.00 ATOM 519 CA ASP A 65 9.513 32.707 -12.880 1.00 0.00 ATOM 520 CB ASP A 65 10.563 32.780 -13.980 1.00 0.00 ATOM 521 CG ASP A 65 11.200 34.165 -14.132 1.00 0.00 ATOM 522 OD1 ASP A 65 10.518 35.191 -14.021 1.00 0.00 ATOM 523 OD2 ASP A 65 12.432 34.178 -14.401 1.00 0.00 ATOM 524 O ASP A 65 7.626 31.360 -13.536 1.00 0.00 ATOM 525 C ASP A 65 8.757 31.372 -13.031 1.00 0.00 ATOM 526 N LYS A 66 9.393 30.274 -12.590 1.00 0.00 ATOM 527 CA LYS A 66 8.921 28.915 -12.910 1.00 0.00 ATOM 528 CB LYS A 66 10.015 28.138 -13.674 1.00 0.00 ATOM 529 CG LYS A 66 10.489 28.823 -14.968 1.00 0.00 ATOM 530 CD LYS A 66 9.314 29.114 -15.912 1.00 0.00 ATOM 531 CE LYS A 66 8.748 27.823 -16.511 1.00 0.00 ATOM 532 NZ LYS A 66 8.039 28.100 -17.803 1.00 0.00 ATOM 533 O LYS A 66 7.897 27.004 -11.817 1.00 0.00 ATOM 534 C LYS A 66 8.440 28.107 -11.673 1.00 0.00 ATOM 535 N PHE A 67 8.637 28.665 -10.480 1.00 0.00 ATOM 536 CA PHE A 67 8.346 27.897 -9.252 1.00 0.00 ATOM 537 CB PHE A 67 9.509 26.909 -8.933 1.00 0.00 ATOM 538 CG PHE A 67 10.788 27.600 -8.596 1.00 0.00 ATOM 539 CD1 PHE A 67 11.101 27.894 -7.274 1.00 0.00 ATOM 540 CD2 PHE A 67 11.648 28.040 -9.607 1.00 0.00 ATOM 541 CE1 PHE A 67 12.261 28.554 -6.954 1.00 0.00 ATOM 542 CE2 PHE A 67 12.818 28.719 -9.293 1.00 0.00 ATOM 543 CZ PHE A 67 13.121 28.987 -7.960 1.00 0.00 ATOM 544 O PHE A 67 8.242 30.058 -8.198 1.00 0.00 ATOM 545 C PHE A 67 8.036 28.836 -8.103 1.00 0.00 ATOM 546 N VAL A 68 7.535 28.267 -7.009 1.00 0.00 ATOM 547 CA VAL A 68 7.203 29.002 -5.804 1.00 0.00 ATOM 548 CB VAL A 68 5.658 29.085 -5.598 1.00 0.00 ATOM 549 CG1 VAL A 68 5.333 29.756 -4.248 1.00 0.00 ATOM 550 CG2 VAL A 68 5.034 29.884 -6.760 1.00 0.00 ATOM 551 O VAL A 68 7.827 27.004 -4.588 1.00 0.00 ATOM 552 C VAL A 68 7.820 28.249 -4.613 1.00 0.00 ATOM 553 N ILE A 69 8.404 28.992 -3.683 1.00 0.00 ATOM 554 CA ILE A 69 8.884 28.453 -2.403 1.00 0.00 ATOM 555 CB ILE A 69 10.258 29.053 -2.047 1.00 0.00 ATOM 556 CG1 ILE A 69 11.348 28.747 -3.105 1.00 0.00 ATOM 557 CG2 ILE A 69 10.666 28.688 -0.622 1.00 0.00 ATOM 558 CD1 ILE A 69 11.578 27.317 -3.301 1.00 0.00 ATOM 559 O ILE A 69 7.686 30.163 -1.236 1.00 0.00 ATOM 560 C ILE A 69 7.922 28.953 -1.327 1.00 0.00 ATOM 561 N SER A 70 7.372 28.056 -0.502 1.00 0.00 ATOM 562 CA SER A 70 6.446 28.493 0.530 1.00 0.00 ATOM 563 CB SER A 70 5.005 28.437 0.012 1.00 0.00 ATOM 564 OG SER A 70 4.667 27.105 -0.381 1.00 0.00 ATOM 565 O SER A 70 7.040 26.472 1.685 1.00 0.00 ATOM 566 C SER A 70 6.564 27.620 1.764 1.00 0.00 ATOM 567 N GLY A 71 6.128 28.162 2.899 1.00 0.00 ATOM 568 CA GLY A 71 6.149 27.387 4.150 1.00 0.00 ATOM 569 O GLY A 71 5.948 29.459 5.319 1.00 0.00 ATOM 570 C GLY A 71 6.221 28.250 5.379 1.00 0.00 ATOM 571 N THR A 72 6.626 27.617 6.476 1.00 0.00 ATOM 572 CA THR A 72 6.710 28.232 7.775 1.00 0.00 ATOM 573 CB THR A 72 5.442 27.924 8.536 1.00 0.00 ATOM 574 CG2 THR A 72 5.522 28.477 9.956 1.00 0.00 ATOM 575 OG1 THR A 72 4.298 28.502 7.831 1.00 0.00 ATOM 576 O THR A 72 8.002 26.387 8.582 1.00 0.00 ATOM 577 C THR A 72 7.879 27.617 8.527 1.00 0.00 ATOM 578 N ILE A 73 8.692 28.492 9.127 1.00 0.00 ATOM 579 CA ILE A 73 9.832 28.121 9.967 1.00 0.00 ATOM 580 CB ILE A 73 11.150 28.497 9.235 1.00 0.00 ATOM 581 CG1 ILE A 73 11.267 27.691 7.941 1.00 0.00 ATOM 582 CG2 ILE A 73 12.390 28.326 10.168 1.00 0.00 ATOM 583 CD1 ILE A 73 12.385 28.217 6.963 1.00 0.00 ATOM 584 O ILE A 73 9.267 30.119 11.158 1.00 0.00 ATOM 585 C ILE A 73 9.665 28.944 11.236 1.00 0.00 ATOM 586 N SER A 74 9.928 28.334 12.398 1.00 0.00 ATOM 587 CA SER A 74 9.741 29.047 13.667 1.00 0.00 ATOM 588 CB SER A 74 8.363 28.732 14.252 1.00 0.00 ATOM 589 OG SER A 74 8.301 27.391 14.704 1.00 0.00 ATOM 590 O SER A 74 11.524 27.727 14.571 1.00 0.00 ATOM 591 C SER A 74 10.810 28.725 14.693 1.00 0.00 ATOM 592 N GLN A 75 10.883 29.564 15.724 1.00 0.00 ATOM 593 CA GLN A 75 11.869 29.360 16.790 1.00 0.00 ATOM 594 CB GLN A 75 13.168 30.052 16.427 1.00 0.00 ATOM 595 CG GLN A 75 14.330 29.628 17.326 1.00 0.00 ATOM 596 CD GLN A 75 15.580 30.417 17.025 1.00 0.00 ATOM 597 OE1 GLN A 75 15.522 31.618 16.794 1.00 0.00 ATOM 598 NE2 GLN A 75 16.725 29.752 17.086 1.00 0.00 ATOM 599 O GLN A 75 11.003 31.141 18.094 1.00 0.00 ATOM 600 C GLN A 75 11.361 29.966 18.084 1.00 0.00 ATOM 601 N VAL A 76 11.402 29.174 19.158 1.00 0.00 ATOM 602 CA VAL A 76 11.088 29.675 20.487 1.00 0.00 ATOM 603 CB VAL A 76 10.793 28.517 21.471 1.00 0.00 ATOM 604 CG1 VAL A 76 10.560 29.079 22.871 1.00 0.00 ATOM 605 CG2 VAL A 76 9.561 27.777 21.026 1.00 0.00 ATOM 606 O VAL A 76 13.400 30.085 20.959 1.00 0.00 ATOM 607 C VAL A 76 12.251 30.533 20.957 1.00 0.00 ATOM 608 N ASN A 77 11.933 31.765 21.339 1.00 0.00 ATOM 609 CA ASN A 77 12.935 32.713 21.870 1.00 0.00 ATOM 610 CB ASN A 77 13.106 33.956 20.960 1.00 0.00 ATOM 611 CG ASN A 77 13.932 33.675 19.723 1.00 0.00 ATOM 612 ND2 ASN A 77 13.366 32.904 18.788 1.00 0.00 ATOM 613 OD1 ASN A 77 15.104 34.106 19.621 1.00 0.00 ATOM 614 O ASN A 77 11.314 33.419 23.492 1.00 0.00 ATOM 615 C ASN A 77 12.506 33.176 23.252 1.00 0.00 ATOM 616 N HIS A 78 13.475 33.328 24.143 1.00 0.00 ATOM 617 CA HIS A 78 13.198 33.901 25.454 1.00 0.00 ATOM 618 CB HIS A 78 13.653 32.935 26.537 1.00 0.00 ATOM 619 CG HIS A 78 13.177 31.537 26.333 1.00 0.00 ATOM 620 CD2 HIS A 78 13.784 30.452 25.794 1.00 0.00 ATOM 621 ND1 HIS A 78 11.891 31.143 26.643 1.00 0.00 ATOM 622 CE1 HIS A 78 11.746 29.860 26.356 1.00 0.00 ATOM 623 NE2 HIS A 78 12.873 29.421 25.823 1.00 0.00 ATOM 624 O HIS A 78 15.159 35.239 25.421 1.00 0.00 ATOM 625 C HIS A 78 13.941 35.218 25.570 1.00 0.00 ATOM 626 N ILE A 79 13.204 36.311 25.790 1.00 0.00 ATOM 627 CA ILE A 79 13.756 37.656 25.915 1.00 0.00 ATOM 628 CB ILE A 79 12.816 38.752 25.334 1.00 0.00 ATOM 629 CG1 ILE A 79 12.398 38.394 23.894 1.00 0.00 ATOM 630 CG2 ILE A 79 13.460 40.137 25.492 1.00 0.00 ATOM 631 CD1 ILE A 79 11.359 39.340 23.276 1.00 0.00 ATOM 632 O ILE A 79 13.001 38.012 28.151 1.00 0.00 ATOM 633 C ILE A 79 13.966 37.901 27.387 1.00 0.00 ATOM 634 N ASP A 80 15.233 37.962 27.773 1.00 0.00 ATOM 635 CA ASP A 80 15.588 38.011 29.167 1.00 0.00 ATOM 636 CB ASP A 80 16.877 37.208 29.379 1.00 0.00 ATOM 637 CG ASP A 80 17.142 36.871 30.848 1.00 0.00 ATOM 638 OD1 ASP A 80 16.412 37.361 31.749 1.00 0.00 ATOM 639 OD2 ASP A 80 18.098 36.097 31.108 1.00 0.00 ATOM 640 O ASP A 80 16.628 40.169 29.084 1.00 0.00 ATOM 641 C ASP A 80 15.760 39.443 29.597 1.00 0.00 ATOM 642 N GLY A 81 14.907 39.871 30.521 1.00 0.00 ATOM 643 CA GLY A 81 15.056 41.188 31.136 1.00 0.00 ATOM 644 O GLY A 81 14.036 43.342 30.945 1.00 0.00 ATOM 645 C GLY A 81 13.968 42.128 30.695 1.00 0.00 ATOM 646 N ARG A 82 12.948 41.580 30.042 1.00 0.00 ATOM 647 CA ARG A 82 11.917 42.405 29.487 1.00 0.00 ATOM 648 CB ARG A 82 12.311 42.825 28.081 1.00 0.00 ATOM 649 CG ARG A 82 11.531 43.981 27.614 1.00 0.00 ATOM 650 CD ARG A 82 12.097 44.469 26.322 1.00 0.00 ATOM 651 NE ARG A 82 11.044 45.103 25.559 1.00 0.00 ATOM 652 CZ ARG A 82 11.245 45.681 24.391 1.00 0.00 ATOM 653 NH1 ARG A 82 12.467 45.679 23.865 1.00 0.00 ATOM 654 NH2 ARG A 82 10.225 46.250 23.760 1.00 0.00 ATOM 655 O ARG A 82 10.529 40.532 29.016 1.00 0.00 ATOM 656 C ARG A 82 10.590 41.686 29.434 1.00 0.00 ATOM 657 N ILE A 83 9.534 42.372 29.852 1.00 0.00 ATOM 658 CA ILE A 83 8.197 41.854 29.670 1.00 0.00 ATOM 659 CB ILE A 83 7.298 42.091 30.913 1.00 0.00 ATOM 660 CG1 ILE A 83 7.879 41.394 32.153 1.00 0.00 ATOM 661 CG2 ILE A 83 5.831 41.671 30.631 1.00 0.00 ATOM 662 CD1 ILE A 83 7.753 39.875 32.180 1.00 0.00 ATOM 663 O ILE A 83 7.442 43.751 28.404 1.00 0.00 ATOM 664 C ILE A 83 7.615 42.532 28.434 1.00 0.00 ATOM 665 N VAL A 84 7.366 41.742 27.397 1.00 0.00 ATOM 666 CA VAL A 84 6.745 42.244 26.176 1.00 0.00 ATOM 667 CB VAL A 84 7.504 41.761 24.904 1.00 0.00 ATOM 668 CG1 VAL A 84 6.820 42.264 23.659 1.00 0.00 ATOM 669 CG2 VAL A 84 8.978 42.226 24.938 1.00 0.00 ATOM 670 O VAL A 84 5.012 40.590 25.920 1.00 0.00 ATOM 671 C VAL A 84 5.292 41.761 26.187 1.00 0.00 ATOM 672 N ASN A 85 4.396 42.674 26.568 1.00 0.00 ATOM 673 CA ASN A 85 2.956 42.410 26.708 1.00 0.00 ATOM 674 CB ASN A 85 2.259 43.632 27.318 1.00 0.00 ATOM 675 CG ASN A 85 2.528 43.792 28.801 1.00 0.00 ATOM 676 ND2 ASN A 85 2.738 42.680 29.495 1.00 0.00 ATOM 677 OD1 ASN A 85 2.539 44.910 29.319 1.00 0.00 ATOM 678 O ASN A 85 1.437 41.249 25.261 1.00 0.00 ATOM 679 C ASN A 85 2.305 42.125 25.376 1.00 0.00 ATOM 680 N GLU A 86 2.725 42.904 24.383 1.00 0.00 ATOM 681 CA GLU A 86 2.184 42.859 23.044 1.00 0.00 ATOM 682 CB GLU A 86 1.160 43.991 22.851 1.00 0.00 ATOM 683 CG GLU A 86 0.855 44.412 21.413 1.00 0.00 ATOM 684 CD GLU A 86 0.127 43.349 20.603 1.00 0.00 ATOM 685 OE1 GLU A 86 0.704 42.886 19.598 1.00 0.00 ATOM 686 OE2 GLU A 86 -1.017 42.984 20.963 1.00 0.00 ATOM 687 O GLU A 86 4.062 43.966 22.026 1.00 0.00 ATOM 688 C GLU A 86 3.371 42.950 22.086 1.00 0.00 ATOM 689 N PRO A 87 3.629 41.854 21.360 1.00 0.00 ATOM 690 CA PRO A 87 4.742 41.677 20.403 1.00 0.00 ATOM 691 CB PRO A 87 4.440 40.332 19.756 1.00 0.00 ATOM 692 CG PRO A 87 3.697 39.572 20.837 1.00 0.00 ATOM 693 CD PRO A 87 2.804 40.630 21.467 1.00 0.00 ATOM 694 O PRO A 87 5.928 43.098 18.892 1.00 0.00 ATOM 695 C PRO A 87 4.835 42.794 19.365 1.00 0.00 ATOM 696 N SER A 88 3.714 43.451 19.066 1.00 0.00 ATOM 697 CA SER A 88 3.758 44.602 18.169 1.00 0.00 ATOM 698 CB SER A 88 2.345 45.033 17.768 1.00 0.00 ATOM 699 OG SER A 88 1.679 45.610 18.885 1.00 0.00 ATOM 700 O SER A 88 4.819 46.734 17.987 1.00 0.00 ATOM 701 C SER A 88 4.555 45.788 18.716 1.00 0.00 ATOM 702 N GLU A 89 4.957 45.738 19.979 1.00 0.00 ATOM 703 CA GLU A 89 5.754 46.822 20.540 1.00 0.00 ATOM 704 CB GLU A 89 5.481 46.962 22.042 1.00 0.00 ATOM 705 CG GLU A 89 4.014 47.278 22.363 1.00 0.00 ATOM 706 CD GLU A 89 3.740 47.374 23.853 1.00 0.00 ATOM 707 OE1 GLU A 89 2.560 47.578 24.229 1.00 0.00 ATOM 708 OE2 GLU A 89 4.702 47.231 24.647 1.00 0.00 ATOM 709 O GLU A 89 8.037 47.571 20.601 1.00 0.00 ATOM 710 C GLU A 89 7.252 46.681 20.257 1.00 0.00 ATOM 711 N LEU A 90 7.648 45.564 19.637 1.00 0.00 ATOM 712 CA LEU A 90 9.049 45.358 19.237 1.00 0.00 ATOM 713 CB LEU A 90 9.310 43.882 18.916 1.00 0.00 ATOM 714 CG LEU A 90 9.167 42.924 20.093 1.00 0.00 ATOM 715 CD1 LEU A 90 8.869 41.550 19.577 1.00 0.00 ATOM 716 CD2 LEU A 90 10.444 42.952 20.937 1.00 0.00 ATOM 717 O LEU A 90 8.449 46.168 17.105 1.00 0.00 ATOM 718 C LEU A 90 9.310 46.149 17.988 1.00 0.00 ATOM 719 N ASN A 91 10.488 46.770 17.905 1.00 0.00 ATOM 720 CA ASN A 91 10.842 47.577 16.728 1.00 0.00 ATOM 721 CB ASN A 91 11.751 48.757 17.105 1.00 0.00 ATOM 722 CG ASN A 91 13.127 48.342 17.624 1.00 0.00 ATOM 723 ND2 ASN A 91 13.633 49.096 18.585 1.00 0.00 ATOM 724 OD1 ASN A 91 13.745 47.391 17.144 1.00 0.00 ATOM 725 O ASN A 91 11.634 45.523 15.750 1.00 0.00 ATOM 726 C ASN A 91 11.448 46.739 15.595 1.00 0.00 ATOM 727 N GLN A 92 11.715 47.376 14.451 1.00 0.00 ATOM 728 CA GLN A 92 12.167 46.630 13.265 1.00 0.00 ATOM 729 CB GLN A 92 12.198 47.536 12.030 1.00 0.00 ATOM 730 CG GLN A 92 10.735 47.787 11.556 1.00 0.00 ATOM 731 CD GLN A 92 10.613 48.618 10.266 1.00 0.00 ATOM 732 OE1 GLN A 92 11.606 49.131 9.750 1.00 0.00 ATOM 733 NE2 GLN A 92 9.374 48.776 9.775 1.00 0.00 ATOM 734 O GLN A 92 13.592 44.728 13.056 1.00 0.00 ATOM 735 C GLN A 92 13.470 45.879 13.492 1.00 0.00 ATOM 736 N GLU A 93 14.395 46.506 14.210 1.00 0.00 ATOM 737 CA GLU A 93 15.695 45.903 14.511 1.00 0.00 ATOM 738 CB GLU A 93 16.669 46.937 15.092 1.00 0.00 ATOM 739 CG GLU A 93 18.020 46.356 15.495 1.00 0.00 ATOM 740 CD GLU A 93 19.011 47.412 16.018 1.00 0.00 ATOM 741 OE1 GLU A 93 18.646 48.611 16.115 1.00 0.00 ATOM 742 OE2 GLU A 93 20.162 47.031 16.331 1.00 0.00 ATOM 743 O GLU A 93 16.223 43.665 15.290 1.00 0.00 ATOM 744 C GLU A 93 15.557 44.703 15.463 1.00 0.00 ATOM 745 N GLU A 94 14.681 44.853 16.446 1.00 0.00 ATOM 746 CA GLU A 94 14.358 43.752 17.363 1.00 0.00 ATOM 747 CB GLU A 94 13.453 44.276 18.490 1.00 0.00 ATOM 748 CG GLU A 94 14.187 45.270 19.401 1.00 0.00 ATOM 749 CD GLU A 94 13.273 46.020 20.353 1.00 0.00 ATOM 750 OE1 GLU A 94 12.094 46.260 20.044 1.00 0.00 ATOM 751 OE2 GLU A 94 13.740 46.356 21.453 1.00 0.00 ATOM 752 O GLU A 94 13.964 41.402 16.891 1.00 0.00 ATOM 753 C GLU A 94 13.693 42.586 16.625 1.00 0.00 ATOM 754 N VAL A 95 12.772 42.917 15.721 1.00 0.00 ATOM 755 CA VAL A 95 12.079 41.872 15.004 1.00 0.00 ATOM 756 CB VAL A 95 10.892 42.456 14.188 1.00 0.00 ATOM 757 CG1 VAL A 95 10.444 41.482 13.097 1.00 0.00 ATOM 758 CG2 VAL A 95 9.715 42.837 15.136 1.00 0.00 ATOM 759 O VAL A 95 13.049 39.898 14.087 1.00 0.00 ATOM 760 C VAL A 95 13.077 41.126 14.117 1.00 0.00 ATOM 761 N GLU A 96 13.971 41.849 13.451 1.00 0.00 ATOM 762 CA GLU A 96 14.937 41.166 12.603 1.00 0.00 ATOM 763 CB GLU A 96 15.778 42.141 11.753 1.00 0.00 ATOM 764 CG GLU A 96 16.746 41.366 10.837 1.00 0.00 ATOM 765 CD GLU A 96 17.656 42.250 10.006 1.00 0.00 ATOM 766 OE1 GLU A 96 18.721 41.752 9.584 1.00 0.00 ATOM 767 OE2 GLU A 96 17.319 43.423 9.784 1.00 0.00 ATOM 768 O GLU A 96 16.066 39.115 13.075 1.00 0.00 ATOM 769 C GLU A 96 15.844 40.274 13.444 1.00 0.00 ATOM 770 N THR A 97 16.368 40.813 14.545 1.00 0.00 ATOM 771 CA THR A 97 17.206 40.013 15.454 1.00 0.00 ATOM 772 CB THR A 97 17.652 40.854 16.640 1.00 0.00 ATOM 773 CG2 THR A 97 18.496 40.000 17.588 1.00 0.00 ATOM 774 OG1 THR A 97 18.414 41.982 16.155 1.00 0.00 ATOM 775 O THR A 97 16.994 37.629 15.823 1.00 0.00 ATOM 776 C THR A 97 16.453 38.747 15.883 1.00 0.00 ATOM 777 N LEU A 98 15.183 38.898 16.281 1.00 0.00 ATOM 778 CA LEU A 98 14.435 37.730 16.725 1.00 0.00 ATOM 779 CB LEU A 98 13.041 38.105 17.228 1.00 0.00 ATOM 780 CG LEU A 98 13.141 38.630 18.673 1.00 0.00 ATOM 781 CD1 LEU A 98 11.937 39.493 19.009 1.00 0.00 ATOM 782 CD2 LEU A 98 13.294 37.481 19.698 1.00 0.00 ATOM 783 O LEU A 98 14.365 35.498 15.836 1.00 0.00 ATOM 784 C LEU A 98 14.298 36.691 15.595 1.00 0.00 ATOM 785 N ALA A 99 14.082 37.182 14.379 1.00 0.00 ATOM 786 CA ALA A 99 13.865 36.306 13.235 1.00 0.00 ATOM 787 CB ALA A 99 12.973 37.061 12.198 1.00 0.00 ATOM 788 O ALA A 99 15.040 34.997 11.591 1.00 0.00 ATOM 789 C ALA A 99 15.133 35.790 12.540 1.00 0.00 ATOM 790 N ARG A 100 16.303 36.287 12.951 1.00 0.00 ATOM 791 CA ARG A 100 17.509 36.030 12.178 1.00 0.00 ATOM 792 CB ARG A 100 18.701 36.802 12.816 1.00 0.00 ATOM 793 CG ARG A 100 20.144 36.555 12.271 1.00 0.00 ATOM 794 CD ARG A 100 20.227 36.556 10.725 1.00 0.00 ATOM 795 NE ARG A 100 19.694 37.796 10.107 1.00 0.00 ATOM 796 CZ ARG A 100 19.319 37.869 8.829 1.00 0.00 ATOM 797 NH1 ARG A 100 19.384 36.782 8.035 1.00 0.00 ATOM 798 NH2 ARG A 100 18.841 39.009 8.351 1.00 0.00 ATOM 799 O ARG A 100 17.993 34.122 10.780 1.00 0.00 ATOM 800 C ARG A 100 17.760 34.511 11.936 1.00 0.00 ATOM 801 N PRO A 101 17.732 33.672 12.981 1.00 0.00 ATOM 802 CA PRO A 101 17.935 32.223 12.701 1.00 0.00 ATOM 803 CB PRO A 101 17.826 31.590 14.096 1.00 0.00 ATOM 804 CG PRO A 101 18.361 32.709 15.047 1.00 0.00 ATOM 805 CD PRO A 101 17.718 33.960 14.435 1.00 0.00 ATOM 806 O PRO A 101 17.253 30.829 10.832 1.00 0.00 ATOM 807 C PRO A 101 16.914 31.641 11.715 1.00 0.00 ATOM 808 N CYS A 102 15.649 32.046 11.859 1.00 0.00 ATOM 809 CA CYS A 102 14.648 31.550 10.896 1.00 0.00 ATOM 810 CB CYS A 102 13.260 32.033 11.304 1.00 0.00 ATOM 811 SG CYS A 102 12.625 31.210 12.778 1.00 0.00 ATOM 812 O CYS A 102 14.860 31.247 8.466 1.00 0.00 ATOM 813 C CYS A 102 14.945 32.023 9.449 1.00 0.00 ATOM 814 N LEU A 103 15.317 33.292 9.311 1.00 0.00 ATOM 815 CA LEU A 103 15.619 33.843 8.005 1.00 0.00 ATOM 816 CB LEU A 103 15.892 35.355 8.131 1.00 0.00 ATOM 817 CG LEU A 103 14.694 36.222 8.468 1.00 0.00 ATOM 818 CD1 LEU A 103 15.211 37.618 8.866 1.00 0.00 ATOM 819 CD2 LEU A 103 13.792 36.331 7.244 1.00 0.00 ATOM 820 O LEU A 103 16.836 32.800 6.224 1.00 0.00 ATOM 821 C LEU A 103 16.814 33.127 7.410 1.00 0.00 ATOM 822 N ASN A 104 17.812 32.831 8.246 1.00 0.00 ATOM 823 CA ASN A 104 18.965 32.077 7.731 1.00 0.00 ATOM 824 CB ASN A 104 20.031 31.917 8.822 1.00 0.00 ATOM 825 CG ASN A 104 20.694 33.214 9.201 1.00 0.00 ATOM 826 ND2 ASN A 104 21.361 33.179 10.365 1.00 0.00 ATOM 827 OD1 ASN A 104 20.694 34.203 8.444 1.00 0.00 ATOM 828 O ASN A 104 19.091 30.202 6.191 1.00 0.00 ATOM 829 C ASN A 104 18.584 30.668 7.223 1.00 0.00 ATOM 830 N MET A 105 17.689 30.011 7.963 1.00 0.00 ATOM 831 CA MET A 105 17.188 28.699 7.600 1.00 0.00 ATOM 832 CB MET A 105 16.182 28.205 8.640 1.00 0.00 ATOM 833 CG MET A 105 15.517 26.887 8.259 1.00 0.00 ATOM 834 SD MET A 105 16.756 25.404 8.399 1.00 0.00 ATOM 835 CE MET A 105 17.021 25.408 10.314 1.00 0.00 ATOM 836 O MET A 105 16.829 28.023 5.335 1.00 0.00 ATOM 837 C MET A 105 16.531 28.805 6.228 1.00 0.00 ATOM 838 N LEU A 106 15.657 29.797 6.067 1.00 0.00 ATOM 839 CA LEU A 106 15.003 30.040 4.777 1.00 0.00 ATOM 840 CB LEU A 106 14.082 31.248 4.866 1.00 0.00 ATOM 841 CG LEU A 106 13.347 31.648 3.588 1.00 0.00 ATOM 842 CD1 LEU A 106 12.522 30.520 2.945 1.00 0.00 ATOM 843 CD2 LEU A 106 12.438 32.861 3.863 1.00 0.00 ATOM 844 O LEU A 106 15.863 29.649 2.575 1.00 0.00 ATOM 845 C LEU A 106 16.000 30.249 3.636 1.00 0.00 ATOM 846 N ASN A 107 17.023 31.058 3.880 1.00 0.00 ATOM 847 CA ASN A 107 18.059 31.312 2.847 1.00 0.00 ATOM 848 CB ASN A 107 19.086 32.353 3.331 1.00 0.00 ATOM 849 CG ASN A 107 18.507 33.735 3.489 1.00 0.00 ATOM 850 ND2 ASN A 107 19.149 34.544 4.363 1.00 0.00 ATOM 851 OD1 ASN A 107 17.492 34.084 2.874 1.00 0.00 ATOM 852 O ASN A 107 19.077 29.733 1.315 1.00 0.00 ATOM 853 C ASN A 107 18.807 30.013 2.477 1.00 0.00 ATOM 854 N ARG A 108 19.145 29.213 3.469 1.00 0.00 ATOM 855 CA ARG A 108 19.980 28.040 3.209 1.00 0.00 ATOM 856 CB ARG A 108 20.700 27.595 4.472 1.00 0.00 ATOM 857 CG ARG A 108 21.586 26.377 4.253 1.00 0.00 ATOM 858 CD ARG A 108 22.867 26.705 3.522 1.00 0.00 ATOM 859 NE ARG A 108 23.878 25.699 3.834 1.00 0.00 ATOM 860 CZ ARG A 108 24.936 25.435 3.078 1.00 0.00 ATOM 861 NH1 ARG A 108 25.133 26.103 1.940 1.00 0.00 ATOM 862 NH2 ARG A 108 25.793 24.495 3.460 1.00 0.00 ATOM 863 O ARG A 108 19.737 26.185 1.659 1.00 0.00 ATOM 864 C ARG A 108 19.213 26.878 2.548 1.00 0.00 ATOM 865 N LEU A 109 17.963 26.674 2.961 1.00 0.00 ATOM 866 CA LEU A 109 17.128 25.702 2.287 1.00 0.00 ATOM 867 CB LEU A 109 15.770 25.596 3.022 1.00 0.00 ATOM 868 CG LEU A 109 15.788 24.842 4.357 1.00 0.00 ATOM 869 CD1 LEU A 109 14.407 25.043 5.064 1.00 0.00 ATOM 870 CD2 LEU A 109 16.003 23.337 4.182 1.00 0.00 ATOM 871 O LEU A 109 16.950 25.267 -0.055 1.00 0.00 ATOM 872 C LEU A 109 16.876 26.115 0.849 1.00 0.00 ATOM 873 N THR A 110 16.580 27.405 0.639 1.00 0.00 ATOM 874 CA THR A 110 16.268 27.879 -0.695 1.00 0.00 ATOM 875 CB THR A 110 15.645 29.282 -0.662 1.00 0.00 ATOM 876 CG2 THR A 110 15.276 29.725 -2.085 1.00 0.00 ATOM 877 OG1 THR A 110 14.450 29.234 0.151 1.00 0.00 ATOM 878 O THR A 110 17.364 27.332 -2.752 1.00 0.00 ATOM 879 C THR A 110 17.488 27.764 -1.604 1.00 0.00 ATOM 880 N TYR A 111 18.669 28.065 -1.069 1.00 0.00 ATOM 881 CA TYR A 111 19.887 27.977 -1.895 1.00 0.00 ATOM 882 CB TYR A 111 21.074 28.480 -1.102 1.00 0.00 ATOM 883 CG TYR A 111 22.332 28.538 -1.906 1.00 0.00 ATOM 884 CD1 TYR A 111 22.600 29.639 -2.703 1.00 0.00 ATOM 885 CD2 TYR A 111 23.244 27.488 -1.886 1.00 0.00 ATOM 886 CE1 TYR A 111 23.759 29.703 -3.469 1.00 0.00 ATOM 887 CE2 TYR A 111 24.418 27.547 -2.639 1.00 0.00 ATOM 888 CZ TYR A 111 24.658 28.670 -3.418 1.00 0.00 ATOM 889 OH TYR A 111 25.802 28.773 -4.203 1.00 0.00 ATOM 890 O TYR A 111 20.335 26.294 -3.568 1.00 0.00 ATOM 891 C TYR A 111 20.141 26.540 -2.376 1.00 0.00 ATOM 892 N GLU A 112 20.082 25.596 -1.444 1.00 0.00 ATOM 893 CA GLU A 112 20.342 24.200 -1.766 1.00 0.00 ATOM 894 CB GLU A 112 20.585 23.393 -0.486 1.00 0.00 ATOM 895 CG GLU A 112 21.802 23.857 0.300 1.00 0.00 ATOM 896 CD GLU A 112 23.107 23.668 -0.474 1.00 0.00 ATOM 897 OE1 GLU A 112 23.179 22.786 -1.355 1.00 0.00 ATOM 898 OE2 GLU A 112 24.066 24.418 -0.184 1.00 0.00 ATOM 899 O GLU A 112 19.519 22.900 -3.627 1.00 0.00 ATOM 900 C GLU A 112 19.231 23.604 -2.634 1.00 0.00 ATOM 901 N VAL A 113 17.972 23.873 -2.296 1.00 0.00 ATOM 902 CA VAL A 113 16.924 23.250 -3.067 1.00 0.00 ATOM 903 CB VAL A 113 15.529 23.420 -2.389 1.00 0.00 ATOM 904 CG1 VAL A 113 14.419 23.009 -3.364 1.00 0.00 ATOM 905 CG2 VAL A 113 15.479 22.597 -1.075 1.00 0.00 ATOM 906 O VAL A 113 16.770 22.972 -5.474 1.00 0.00 ATOM 907 C VAL A 113 16.907 23.757 -4.509 1.00 0.00 ATOM 908 N THR A 114 17.075 25.073 -4.679 1.00 0.00 ATOM 909 CA THR A 114 17.097 25.613 -6.050 1.00 0.00 ATOM 910 CB THR A 114 16.971 27.145 -6.062 1.00 0.00 ATOM 911 CG2 THR A 114 15.657 27.578 -5.481 1.00 0.00 ATOM 912 OG1 THR A 114 18.086 27.746 -5.359 1.00 0.00 ATOM 913 O THR A 114 18.197 24.828 -8.029 1.00 0.00 ATOM 914 C THR A 114 18.323 25.128 -6.850 1.00 0.00 ATOM 915 N GLU A 115 19.493 25.031 -6.213 1.00 0.00 ATOM 916 CA GLU A 115 20.681 24.517 -6.931 1.00 0.00 ATOM 917 CB GLU A 115 21.916 24.521 -6.041 1.00 0.00 ATOM 918 CG GLU A 115 23.202 24.031 -6.738 1.00 0.00 ATOM 919 CD GLU A 115 24.453 24.537 -6.032 1.00 0.00 ATOM 920 OE1 GLU A 115 24.713 25.766 -6.097 1.00 0.00 ATOM 921 OE2 GLU A 115 25.166 23.709 -5.422 1.00 0.00 ATOM 922 O GLU A 115 20.740 22.812 -8.620 1.00 0.00 ATOM 923 C GLU A 115 20.436 23.111 -7.468 1.00 0.00 ATOM 924 N ILE A 116 19.867 22.263 -6.619 1.00 0.00 ATOM 925 CA ILE A 116 19.653 20.868 -6.948 1.00 0.00 ATOM 926 CB ILE A 116 19.384 20.038 -5.670 1.00 0.00 ATOM 927 CG1 ILE A 116 20.643 20.043 -4.781 1.00 0.00 ATOM 928 CG2 ILE A 116 19.049 18.610 -6.065 1.00 0.00 ATOM 929 CD1 ILE A 116 20.391 19.575 -3.401 1.00 0.00 ATOM 930 O ILE A 116 18.664 20.049 -8.976 1.00 0.00 ATOM 931 C ILE A 116 18.518 20.720 -7.942 1.00 0.00 ATOM 932 N ALA A 117 17.385 21.342 -7.648 1.00 0.00 ATOM 933 CA ALA A 117 16.206 21.126 -8.461 1.00 0.00 ATOM 934 CB ALA A 117 14.936 21.686 -7.754 1.00 0.00 ATOM 935 O ALA A 117 15.786 21.163 -10.824 1.00 0.00 ATOM 936 C ALA A 117 16.339 21.721 -9.859 1.00 0.00 ATOM 937 N LEU A 118 17.025 22.858 -9.958 1.00 0.00 ATOM 938 CA LEU A 118 17.145 23.583 -11.241 1.00 0.00 ATOM 939 CB LEU A 118 17.049 25.084 -11.022 1.00 0.00 ATOM 940 CG LEU A 118 15.787 25.542 -10.314 1.00 0.00 ATOM 941 CD1 LEU A 118 15.886 27.048 -10.079 1.00 0.00 ATOM 942 CD2 LEU A 118 14.570 25.156 -11.104 1.00 0.00 ATOM 943 O LEU A 118 18.553 23.699 -13.182 1.00 0.00 ATOM 944 C LEU A 118 18.440 23.303 -12.009 1.00 0.00 ATOM 945 N ASP A 119 19.402 22.660 -11.359 1.00 0.00 ATOM 946 CA ASP A 119 20.699 22.370 -11.961 1.00 0.00 ATOM 947 CB ASP A 119 20.521 21.390 -13.143 1.00 0.00 ATOM 948 CG ASP A 119 21.843 20.787 -13.641 1.00 0.00 ATOM 949 OD1 ASP A 119 22.763 20.527 -12.838 1.00 0.00 ATOM 950 OD2 ASP A 119 21.934 20.534 -14.863 1.00 0.00 ATOM 951 O ASP A 119 21.906 23.749 -13.522 1.00 0.00 ATOM 952 C ASP A 119 21.383 23.662 -12.418 1.00 0.00 ATOM 953 N LEU A 120 21.338 24.669 -11.550 1.00 0.00 ATOM 954 CA LEU A 120 21.962 25.966 -11.761 1.00 0.00 ATOM 955 CB LEU A 120 20.920 26.987 -12.232 1.00 0.00 ATOM 956 CG LEU A 120 20.371 26.792 -13.650 1.00 0.00 ATOM 957 CD1 LEU A 120 19.105 27.601 -13.965 1.00 0.00 ATOM 958 CD2 LEU A 120 21.455 26.992 -14.725 1.00 0.00 ATOM 959 O LEU A 120 22.144 25.803 -9.362 1.00 0.00 ATOM 960 C LEU A 120 22.534 26.369 -10.397 1.00 0.00 ATOM 961 N PRO A 121 23.512 27.298 -10.372 1.00 0.00 ATOM 962 CA PRO A 121 23.875 27.878 -9.095 1.00 0.00 ATOM 963 CB PRO A 121 24.681 29.112 -9.507 1.00 0.00 ATOM 964 CG PRO A 121 25.433 28.613 -10.736 1.00 0.00 ATOM 965 CD PRO A 121 24.389 27.774 -11.467 1.00 0.00 ATOM 966 O PRO A 121 21.677 28.835 -8.716 1.00 0.00 ATOM 967 C PRO A 121 22.655 28.256 -8.236 1.00 0.00 ATOM 968 N GLY A 122 22.748 27.901 -6.965 1.00 0.00 ATOM 969 CA GLY A 122 21.705 28.178 -6.002 1.00 0.00 ATOM 970 O GLY A 122 22.115 30.548 -6.154 1.00 0.00 ATOM 971 C GLY A 122 21.293 29.635 -5.966 1.00 0.00 ATOM 972 N ILE A 123 20.015 29.857 -5.726 1.00 0.00 ATOM 973 CA ILE A 123 19.510 31.200 -5.566 1.00 0.00 ATOM 974 CB ILE A 123 18.052 31.279 -5.934 1.00 0.00 ATOM 975 CG1 ILE A 123 17.888 30.975 -7.437 1.00 0.00 ATOM 976 CG2 ILE A 123 17.440 32.634 -5.489 1.00 0.00 ATOM 977 CD1 ILE A 123 16.446 30.859 -7.864 1.00 0.00 ATOM 978 O ILE A 123 19.250 30.970 -3.191 1.00 0.00 ATOM 979 C ILE A 123 19.686 31.661 -4.131 1.00 0.00 ATOM 980 N ASN A 124 20.364 32.804 -3.968 1.00 0.00 ATOM 981 CA ASN A 124 20.590 33.351 -2.645 1.00 0.00 ATOM 982 CB ASN A 124 22.058 33.821 -2.501 1.00 0.00 ATOM 983 CG ASN A 124 22.381 34.334 -1.092 1.00 0.00 ATOM 984 ND2 ASN A 124 23.610 34.807 -0.919 1.00 0.00 ATOM 985 OD1 ASN A 124 21.547 34.301 -0.170 1.00 0.00 ATOM 986 O ASN A 124 19.711 35.551 -2.931 1.00 0.00 ATOM 987 C ASN A 124 19.608 34.473 -2.354 1.00 0.00 ATOM 988 N LEU A 125 18.632 34.220 -1.471 1.00 0.00 ATOM 989 CA LEU A 125 17.608 35.213 -1.145 1.00 0.00 ATOM 990 CB LEU A 125 16.540 34.596 -0.248 1.00 0.00 ATOM 991 CG LEU A 125 15.576 33.590 -0.897 1.00 0.00 ATOM 992 CD1 LEU A 125 14.833 32.802 0.197 1.00 0.00 ATOM 993 CD2 LEU A 125 14.603 34.219 -1.905 1.00 0.00 ATOM 994 O LEU A 125 17.594 37.549 -0.513 1.00 0.00 ATOM 995 C LEU A 125 18.160 36.448 -0.417 1.00 0.00 ATOM 996 N GLU A 126 19.226 36.235 0.336 1.00 0.00 ATOM 997 CA GLU A 126 19.869 37.298 1.112 1.00 0.00 ATOM 998 CB GLU A 126 20.495 38.340 0.176 1.00 0.00 ATOM 999 CG GLU A 126 21.518 37.724 -0.751 1.00 0.00 ATOM 1000 CD GLU A 126 22.334 38.770 -1.451 1.00 0.00 ATOM 1001 OE1 GLU A 126 23.266 39.298 -0.816 1.00 0.00 ATOM 1002 OE2 GLU A 126 22.039 39.060 -2.622 1.00 0.00 ATOM 1003 O GLU A 126 19.133 39.171 2.384 1.00 0.00 ATOM 1004 C GLU A 126 18.955 37.989 2.099 1.00 0.00 ATOM 1005 N PHE A 127 17.988 37.268 2.642 1.00 0.00 ATOM 1006 CA PHE A 127 17.132 37.859 3.663 1.00 0.00 ATOM 1007 CB PHE A 127 15.867 37.038 3.888 1.00 0.00 ATOM 1008 CG PHE A 127 14.911 37.028 2.714 1.00 0.00 ATOM 1009 CD1 PHE A 127 15.047 37.921 1.636 1.00 0.00 ATOM 1010 CD2 PHE A 127 13.852 36.126 2.695 1.00 0.00 ATOM 1011 CE1 PHE A 127 14.139 37.896 0.563 1.00 0.00 ATOM 1012 CE2 PHE A 127 12.939 36.103 1.640 1.00 0.00 ATOM 1013 CZ PHE A 127 13.067 36.977 0.576 1.00 0.00 ATOM 1014 O PHE A 127 18.821 37.257 5.254 1.00 0.00 ATOM 1015 C PHE A 127 17.869 38.023 4.971 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 T0383.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0383)L43.C and (T0383)Q47.C only 0.000 apart, marking (T0383)Q47.C as missing WARNING: atoms too close: (T0383)Q44.N and (T0383)E48.N only 0.000 apart, marking (T0383)Q44.N as missing WARNING: atoms too close: (T0383)Q44.CA and (T0383)E48.CA only 0.000 apart, marking (T0383)Q44.CA as missing WARNING: atoms too close: (T0383)G81.C and (T0383)E89.C only 0.000 apart, marking (T0383)E89.C as missing WARNING: atoms too close: (T0383)R82.N and (T0383)L90.N only 0.000 apart, marking (T0383)R82.N as missing WARNING: atoms too close: (T0383)R82.CA and (T0383)L90.CA only 0.000 apart, marking (T0383)R82.CA as missing WARNING: atoms too close: (T0383)L120.C and (T0383)G122.C only 0.000 apart, marking (T0383)G122.C as missing WARNING: atoms too close: (T0383)P121.N and (T0383)I123.N only 0.000 apart, marking (T0383)P121.N as missing WARNING: atoms too close: (T0383)P121.CA and (T0383)I123.CA only 0.000 apart, marking (T0383)P121.CA as missing # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:Warning: Couldn't open file decoys/align1.gdt for output # fraction of real conformation used = 0.871 # GDT_score = -48.185 # GDT_score(maxd=8.000,maxw=2.900)= -49.640 # GDT_score(maxd=8.000,maxw=3.200)= -47.243 # GDT_score(maxd=8.000,maxw=3.500)= -44.821 # GDT_score(maxd=10.000,maxw=3.800)= -47.529 # GDT_score(maxd=10.000,maxw=4.000)= -45.986 # GDT_score(maxd=10.000,maxw=4.200)= -44.464 # GDT_score(maxd=12.000,maxw=4.300)= -47.871 # GDT_score(maxd=12.000,maxw=4.500)= -46.347 # GDT_score(maxd=12.000,maxw=4.700)= -44.895 # GDT_score(maxd=14.000,maxw=5.200)= -44.734 # GDT_score(maxd=14.000,maxw=5.500)= -42.721 # command:# ReadConformPDB reading from PDB file T0383.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.379 # GDT_score = -17.137 # GDT_score(maxd=8.000,maxw=2.900)= -17.678 # GDT_score(maxd=8.000,maxw=3.200)= -16.928 # GDT_score(maxd=8.000,maxw=3.500)= -16.306 # GDT_score(maxd=10.000,maxw=3.800)= -17.112 # GDT_score(maxd=10.000,maxw=4.000)= -16.733 # GDT_score(maxd=10.000,maxw=4.200)= -16.358 # GDT_score(maxd=12.000,maxw=4.300)= -17.232 # GDT_score(maxd=12.000,maxw=4.500)= -16.860 # GDT_score(maxd=12.000,maxw=4.700)= -16.520 # GDT_score(maxd=14.000,maxw=5.200)= -16.599 # GDT_score(maxd=14.000,maxw=5.500)= -16.107 # command:# ReadConformPDB reading from PDB file T0383.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0383)G81.C and (T0383)R82.C only 0.000 apart, marking (T0383)R82.C as missing WARNING: atoms too close: (T0383)R82.N and (T0383)I83.N only 0.000 apart, marking (T0383)R82.N as missing WARNING: atoms too close: (T0383)R82.CA and (T0383)I83.CA only 0.000 apart, marking (T0383)R82.CA as missing # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0383.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0383.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0383)K66.C and (T0383)N77.C only 0.000 apart, marking (T0383)N77.C as missing WARNING: atoms too close: (T0383)F67.N and (T0383)H78.N only 0.000 apart, marking (T0383)F67.N as missing WARNING: atoms too close: (T0383)F67.CA and (T0383)H78.CA only 0.000 apart, marking (T0383)F67.CA as missing WARNING: atoms too close: (T0383)N104.C and (T0383)L106.C only 0.000 apart, marking (T0383)L106.C as missing WARNING: atoms too close: (T0383)M105.N and (T0383)N107.N only 0.000 apart, marking (T0383)M105.N as missing WARNING: atoms too close: (T0383)M105.CA and (T0383)N107.CA only 0.000 apart, marking (T0383)M105.CA as missing # WARNING: incomplete conformation T0383 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 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 10 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 10 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try19-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 T0383.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try5-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0383.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0383.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 23 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 23 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0383.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_871423547.pdb -s /var/tmp/to_scwrl_871423547.seq -o /var/tmp/from_scwrl_871423547.pdb > /var/tmp/scwrl_871423547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_871423547.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1365026221.pdb -s /var/tmp/to_scwrl_1365026221.seq -o /var/tmp/from_scwrl_1365026221.pdb > /var/tmp/scwrl_1365026221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1365026221.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1643826140.pdb -s /var/tmp/to_scwrl_1643826140.seq -o /var/tmp/from_scwrl_1643826140.pdb > /var/tmp/scwrl_1643826140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643826140.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_447864674.pdb -s /var/tmp/to_scwrl_447864674.seq -o /var/tmp/from_scwrl_447864674.pdb > /var/tmp/scwrl_447864674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_447864674.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1300615054.pdb -s /var/tmp/to_scwrl_1300615054.seq -o /var/tmp/from_scwrl_1300615054.pdb > /var/tmp/scwrl_1300615054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300615054.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2050548102.pdb -s /var/tmp/to_scwrl_2050548102.seq -o /var/tmp/from_scwrl_2050548102.pdb > /var/tmp/scwrl_2050548102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050548102.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_709969193.pdb -s /var/tmp/to_scwrl_709969193.seq -o /var/tmp/from_scwrl_709969193.pdb > /var/tmp/scwrl_709969193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709969193.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1090234465.pdb -s /var/tmp/to_scwrl_1090234465.seq -o /var/tmp/from_scwrl_1090234465.pdb > /var/tmp/scwrl_1090234465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1090234465.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_212476638.pdb -s /var/tmp/to_scwrl_212476638.seq -o /var/tmp/from_scwrl_212476638.pdb > /var/tmp/scwrl_212476638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_212476638.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_297300257.pdb -s /var/tmp/to_scwrl_297300257.seq -o /var/tmp/from_scwrl_297300257.pdb > /var/tmp/scwrl_297300257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297300257.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_546604929.pdb -s /var/tmp/to_scwrl_546604929.seq -o /var/tmp/from_scwrl_546604929.pdb > /var/tmp/scwrl_546604929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_546604929.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1291815970.pdb -s /var/tmp/to_scwrl_1291815970.seq -o /var/tmp/from_scwrl_1291815970.pdb > /var/tmp/scwrl_1291815970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1291815970.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_464715544.pdb -s /var/tmp/to_scwrl_464715544.seq -o /var/tmp/from_scwrl_464715544.pdb > /var/tmp/scwrl_464715544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464715544.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_234120038.pdb -s /var/tmp/to_scwrl_234120038.seq -o /var/tmp/from_scwrl_234120038.pdb > /var/tmp/scwrl_234120038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234120038.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 T0383 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_858557197.pdb -s /var/tmp/to_scwrl_858557197.seq -o /var/tmp/from_scwrl_858557197.pdb > /var/tmp/scwrl_858557197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_858557197.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 115 ; scwrl3 -i /var/tmp/to_scwrl_173456363.pdb -s /var/tmp/to_scwrl_173456363.seq -o /var/tmp/from_scwrl_173456363.pdb > /var/tmp/scwrl_173456363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_173456363.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 116 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_864373102.pdb -s /var/tmp/to_scwrl_864373102.seq -o /var/tmp/from_scwrl_864373102.pdb > /var/tmp/scwrl_864373102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_864373102.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 115 ; scwrl3 -i /var/tmp/to_scwrl_1580797059.pdb -s /var/tmp/to_scwrl_1580797059.seq -o /var/tmp/from_scwrl_1580797059.pdb > /var/tmp/scwrl_1580797059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580797059.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 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_334181359.pdb -s /var/tmp/to_scwrl_334181359.seq -o /var/tmp/from_scwrl_334181359.pdb > /var/tmp/scwrl_334181359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_334181359.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1413150798.pdb -s /var/tmp/to_scwrl_1413150798.seq -o /var/tmp/from_scwrl_1413150798.pdb > /var/tmp/scwrl_1413150798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413150798.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 100 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1996566598.pdb -s /var/tmp/to_scwrl_1996566598.seq -o /var/tmp/from_scwrl_1996566598.pdb > /var/tmp/scwrl_1996566598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996566598.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 118 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1654135576.pdb -s /var/tmp/to_scwrl_1654135576.seq -o /var/tmp/from_scwrl_1654135576.pdb > /var/tmp/scwrl_1654135576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1654135576.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 123 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_559857425.pdb -s /var/tmp/to_scwrl_559857425.seq -o /var/tmp/from_scwrl_559857425.pdb > /var/tmp/scwrl_559857425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559857425.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 123 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1683490895.pdb -s /var/tmp/to_scwrl_1683490895.seq -o /var/tmp/from_scwrl_1683490895.pdb > /var/tmp/scwrl_1683490895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683490895.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 117 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1657285224.pdb -s /var/tmp/to_scwrl_1657285224.seq -o /var/tmp/from_scwrl_1657285224.pdb > /var/tmp/scwrl_1657285224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657285224.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_575610539.pdb -s /var/tmp/to_scwrl_575610539.seq -o /var/tmp/from_scwrl_575610539.pdb > /var/tmp/scwrl_575610539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575610539.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_100411476.pdb -s /var/tmp/to_scwrl_100411476.seq -o /var/tmp/from_scwrl_100411476.pdb > /var/tmp/scwrl_100411476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100411476.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 # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_485590361.pdb -s /var/tmp/to_scwrl_485590361.seq -o /var/tmp/from_scwrl_485590361.pdb > /var/tmp/scwrl_485590361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_485590361.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 # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1949731441.pdb -s /var/tmp/to_scwrl_1949731441.seq -o /var/tmp/from_scwrl_1949731441.pdb > /var/tmp/scwrl_1949731441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1949731441.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 126 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1204896609.pdb -s /var/tmp/to_scwrl_1204896609.seq -o /var/tmp/from_scwrl_1204896609.pdb > /var/tmp/scwrl_1204896609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204896609.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 126 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1612602394.pdb -s /var/tmp/to_scwrl_1612602394.seq -o /var/tmp/from_scwrl_1612602394.pdb > /var/tmp/scwrl_1612602394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612602394.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 117 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_673671341.pdb -s /var/tmp/to_scwrl_673671341.seq -o /var/tmp/from_scwrl_673671341.pdb > /var/tmp/scwrl_673671341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_673671341.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_422439184.pdb -s /var/tmp/to_scwrl_422439184.seq -o /var/tmp/from_scwrl_422439184.pdb > /var/tmp/scwrl_422439184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422439184.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 117 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1108944887.pdb -s /var/tmp/to_scwrl_1108944887.seq -o /var/tmp/from_scwrl_1108944887.pdb > /var/tmp/scwrl_1108944887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1108944887.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 115 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1121536015.pdb -s /var/tmp/to_scwrl_1121536015.seq -o /var/tmp/from_scwrl_1121536015.pdb > /var/tmp/scwrl_1121536015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1121536015.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1723054238.pdb -s /var/tmp/to_scwrl_1723054238.seq -o /var/tmp/from_scwrl_1723054238.pdb > /var/tmp/scwrl_1723054238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1723054238.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 T0383 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1012009343.pdb -s /var/tmp/to_scwrl_1012009343.seq -o /var/tmp/from_scwrl_1012009343.pdb > /var/tmp/scwrl_1012009343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012009343.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1831505208.pdb -s /var/tmp/to_scwrl_1831505208.seq -o /var/tmp/from_scwrl_1831505208.pdb > /var/tmp/scwrl_1831505208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1831505208.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 T0383 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_665805058.pdb -s /var/tmp/to_scwrl_665805058.seq -o /var/tmp/from_scwrl_665805058.pdb > /var/tmp/scwrl_665805058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665805058.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1224485980.pdb -s /var/tmp/to_scwrl_1224485980.seq -o /var/tmp/from_scwrl_1224485980.pdb > /var/tmp/scwrl_1224485980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224485980.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2128805465.pdb -s /var/tmp/to_scwrl_2128805465.seq -o /var/tmp/from_scwrl_2128805465.pdb > /var/tmp/scwrl_2128805465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128805465.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 T0383 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1212409986.pdb -s /var/tmp/to_scwrl_1212409986.seq -o /var/tmp/from_scwrl_1212409986.pdb > /var/tmp/scwrl_1212409986.log Error: Couldn't open file /var/tmp/from_scwrl_1212409986.pdb or /var/tmp/from_scwrl_1212409986.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1212409986_b.pdb or decoys//var/tmp/from_scwrl_1212409986_b.pdb.gz for input Trying /var/tmp/from_scwrl_1212409986_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1212409986_b.pdb or /var/tmp/from_scwrl_1212409986_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1212409986_a.pdb or decoys//var/tmp/from_scwrl_1212409986_a.pdb.gz for input Trying /var/tmp/from_scwrl_1212409986_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1212409986_a.pdb or /var/tmp/from_scwrl_1212409986_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1212409986.pdb or /var/tmp/from_scwrl_1212409986_b.pdb or /var/tmp/from_scwrl_1212409986_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 T0383 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_368818304.pdb -s /var/tmp/to_scwrl_368818304.seq -o /var/tmp/from_scwrl_368818304.pdb > /var/tmp/scwrl_368818304.log Error: Couldn't open file /var/tmp/from_scwrl_368818304.pdb or /var/tmp/from_scwrl_368818304.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_368818304_b.pdb or decoys//var/tmp/from_scwrl_368818304_b.pdb.gz for input Trying /var/tmp/from_scwrl_368818304_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_368818304_b.pdb or /var/tmp/from_scwrl_368818304_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_368818304_a.pdb or decoys//var/tmp/from_scwrl_368818304_a.pdb.gz for input Trying /var/tmp/from_scwrl_368818304_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_368818304_a.pdb or /var/tmp/from_scwrl_368818304_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_368818304.pdb or /var/tmp/from_scwrl_368818304_b.pdb or /var/tmp/from_scwrl_368818304_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 T0383 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_446037362.pdb -s /var/tmp/to_scwrl_446037362.seq -o /var/tmp/from_scwrl_446037362.pdb > /var/tmp/scwrl_446037362.log Error: Couldn't open file /var/tmp/from_scwrl_446037362.pdb or /var/tmp/from_scwrl_446037362.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_446037362_b.pdb or decoys//var/tmp/from_scwrl_446037362_b.pdb.gz for input Trying /var/tmp/from_scwrl_446037362_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_446037362_b.pdb or /var/tmp/from_scwrl_446037362_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_446037362_a.pdb or decoys//var/tmp/from_scwrl_446037362_a.pdb.gz for input Trying /var/tmp/from_scwrl_446037362_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_446037362_a.pdb or /var/tmp/from_scwrl_446037362_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_446037362.pdb or /var/tmp/from_scwrl_446037362_b.pdb or /var/tmp/from_scwrl_446037362_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 T0383 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1446530025.pdb -s /var/tmp/to_scwrl_1446530025.seq -o /var/tmp/from_scwrl_1446530025.pdb > /var/tmp/scwrl_1446530025.log Error: Couldn't open file /var/tmp/from_scwrl_1446530025.pdb or /var/tmp/from_scwrl_1446530025.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1446530025_b.pdb or decoys//var/tmp/from_scwrl_1446530025_b.pdb.gz for input Trying /var/tmp/from_scwrl_1446530025_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1446530025_b.pdb or /var/tmp/from_scwrl_1446530025_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1446530025_a.pdb or decoys//var/tmp/from_scwrl_1446530025_a.pdb.gz for input Trying /var/tmp/from_scwrl_1446530025_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1446530025_a.pdb or /var/tmp/from_scwrl_1446530025_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1446530025.pdb or /var/tmp/from_scwrl_1446530025_b.pdb or /var/tmp/from_scwrl_1446530025_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 T0383 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1227375500.pdb -s /var/tmp/to_scwrl_1227375500.seq -o /var/tmp/from_scwrl_1227375500.pdb > /var/tmp/scwrl_1227375500.log Error: Couldn't open file /var/tmp/from_scwrl_1227375500.pdb or /var/tmp/from_scwrl_1227375500.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1227375500_b.pdb or decoys//var/tmp/from_scwrl_1227375500_b.pdb.gz for input Trying /var/tmp/from_scwrl_1227375500_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1227375500_b.pdb or /var/tmp/from_scwrl_1227375500_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1227375500_a.pdb or decoys//var/tmp/from_scwrl_1227375500_a.pdb.gz for input Trying /var/tmp/from_scwrl_1227375500_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1227375500_a.pdb or /var/tmp/from_scwrl_1227375500_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1227375500.pdb or /var/tmp/from_scwrl_1227375500_b.pdb or /var/tmp/from_scwrl_1227375500_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 117 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_619493726.pdb -s /var/tmp/to_scwrl_619493726.seq -o /var/tmp/from_scwrl_619493726.pdb > /var/tmp/scwrl_619493726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_619493726.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 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_163419480.pdb -s /var/tmp/to_scwrl_163419480.seq -o /var/tmp/from_scwrl_163419480.pdb > /var/tmp/scwrl_163419480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_163419480.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 T0383 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_660688913.pdb -s /var/tmp/to_scwrl_660688913.seq -o /var/tmp/from_scwrl_660688913.pdb > /var/tmp/scwrl_660688913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660688913.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 T0383 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_953675085.pdb -s /var/tmp/to_scwrl_953675085.seq -o /var/tmp/from_scwrl_953675085.pdb > /var/tmp/scwrl_953675085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_953675085.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 T0383 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1576570278.pdb -s /var/tmp/to_scwrl_1576570278.seq -o /var/tmp/from_scwrl_1576570278.pdb > /var/tmp/scwrl_1576570278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1576570278.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 121 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_509771865.pdb -s /var/tmp/to_scwrl_509771865.seq -o /var/tmp/from_scwrl_509771865.pdb > /var/tmp/scwrl_509771865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509771865.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 117 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_460327014.pdb -s /var/tmp/to_scwrl_460327014.seq -o /var/tmp/from_scwrl_460327014.pdb > /var/tmp/scwrl_460327014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_460327014.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 120 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2136427703.pdb -s /var/tmp/to_scwrl_2136427703.seq -o /var/tmp/from_scwrl_2136427703.pdb > /var/tmp/scwrl_2136427703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2136427703.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 120 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_45779113.pdb -s /var/tmp/to_scwrl_45779113.seq -o /var/tmp/from_scwrl_45779113.pdb > /var/tmp/scwrl_45779113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45779113.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 117 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2117612238.pdb -s /var/tmp/to_scwrl_2117612238.seq -o /var/tmp/from_scwrl_2117612238.pdb > /var/tmp/scwrl_2117612238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2117612238.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 # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_564554596.pdb -s /var/tmp/to_scwrl_564554596.seq -o /var/tmp/from_scwrl_564554596.pdb > /var/tmp/scwrl_564554596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_564554596.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 116 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_146190589.pdb -s /var/tmp/to_scwrl_146190589.seq -o /var/tmp/from_scwrl_146190589.pdb > /var/tmp/scwrl_146190589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_146190589.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 88 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_455718952.pdb -s /var/tmp/to_scwrl_455718952.seq -o /var/tmp/from_scwrl_455718952.pdb > /var/tmp/scwrl_455718952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_455718952.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 115 ; scwrl3 -i /var/tmp/to_scwrl_366802390.pdb -s /var/tmp/to_scwrl_366802390.seq -o /var/tmp/from_scwrl_366802390.pdb > /var/tmp/scwrl_366802390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366802390.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 # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1351087198.pdb -s /var/tmp/to_scwrl_1351087198.seq -o /var/tmp/from_scwrl_1351087198.pdb > /var/tmp/scwrl_1351087198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1351087198.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 T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2068321347.pdb -s /var/tmp/to_scwrl_2068321347.seq -o /var/tmp/from_scwrl_2068321347.pdb > /var/tmp/scwrl_2068321347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2068321347.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 T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1040473732.pdb -s /var/tmp/to_scwrl_1040473732.seq -o /var/tmp/from_scwrl_1040473732.pdb > /var/tmp/scwrl_1040473732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1040473732.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 T0383 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1773526383.pdb -s /var/tmp/to_scwrl_1773526383.seq -o /var/tmp/from_scwrl_1773526383.pdb > /var/tmp/scwrl_1773526383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773526383.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 T0383 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1029782588.pdb -s /var/tmp/to_scwrl_1029782588.seq -o /var/tmp/from_scwrl_1029782588.pdb > /var/tmp/scwrl_1029782588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029782588.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 T0383 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_14526100.pdb -s /var/tmp/to_scwrl_14526100.seq -o /var/tmp/from_scwrl_14526100.pdb > /var/tmp/scwrl_14526100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14526100.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 T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1349096974.pdb -s /var/tmp/to_scwrl_1349096974.seq -o /var/tmp/from_scwrl_1349096974.pdb > /var/tmp/scwrl_1349096974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349096974.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 T0383 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2041791931.pdb -s /var/tmp/to_scwrl_2041791931.seq -o /var/tmp/from_scwrl_2041791931.pdb > /var/tmp/scwrl_2041791931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2041791931.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 T0383 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1846031308.pdb -s /var/tmp/to_scwrl_1846031308.seq -o /var/tmp/from_scwrl_1846031308.pdb > /var/tmp/scwrl_1846031308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1846031308.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 T0383 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2014902032.pdb -s /var/tmp/to_scwrl_2014902032.seq -o /var/tmp/from_scwrl_2014902032.pdb > /var/tmp/scwrl_2014902032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2014902032.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 T0383 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1118794264.pdb -s /var/tmp/to_scwrl_1118794264.seq -o /var/tmp/from_scwrl_1118794264.pdb > /var/tmp/scwrl_1118794264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1118794264.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 107 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1827353127.pdb -s /var/tmp/to_scwrl_1827353127.seq -o /var/tmp/from_scwrl_1827353127.pdb > /var/tmp/scwrl_1827353127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1827353127.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1079828372.pdb -s /var/tmp/to_scwrl_1079828372.seq -o /var/tmp/from_scwrl_1079828372.pdb > /var/tmp/scwrl_1079828372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079828372.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1487612569.pdb -s /var/tmp/to_scwrl_1487612569.seq -o /var/tmp/from_scwrl_1487612569.pdb > /var/tmp/scwrl_1487612569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1487612569.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_125906842.pdb -s /var/tmp/to_scwrl_125906842.seq -o /var/tmp/from_scwrl_125906842.pdb > /var/tmp/scwrl_125906842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_125906842.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_378874751.pdb -s /var/tmp/to_scwrl_378874751.seq -o /var/tmp/from_scwrl_378874751.pdb > /var/tmp/scwrl_378874751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378874751.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_567504423.pdb -s /var/tmp/to_scwrl_567504423.seq -o /var/tmp/from_scwrl_567504423.pdb > /var/tmp/scwrl_567504423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_567504423.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 T0383 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_745400568.pdb -s /var/tmp/to_scwrl_745400568.seq -o /var/tmp/from_scwrl_745400568.pdb > /var/tmp/scwrl_745400568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745400568.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_542294231.pdb -s /var/tmp/to_scwrl_542294231.seq -o /var/tmp/from_scwrl_542294231.pdb > /var/tmp/scwrl_542294231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542294231.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 # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1228193336.pdb -s /var/tmp/to_scwrl_1228193336.seq -o /var/tmp/from_scwrl_1228193336.pdb > /var/tmp/scwrl_1228193336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228193336.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1699075652.pdb -s /var/tmp/to_scwrl_1699075652.seq -o /var/tmp/from_scwrl_1699075652.pdb > /var/tmp/scwrl_1699075652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1699075652.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 T0383 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2118864510.pdb -s /var/tmp/to_scwrl_2118864510.seq -o /var/tmp/from_scwrl_2118864510.pdb > /var/tmp/scwrl_2118864510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118864510.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1737965201.pdb -s /var/tmp/to_scwrl_1737965201.seq -o /var/tmp/from_scwrl_1737965201.pdb > /var/tmp/scwrl_1737965201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1737965201.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 T0383 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_11919020.pdb -s /var/tmp/to_scwrl_11919020.seq -o /var/tmp/from_scwrl_11919020.pdb > /var/tmp/scwrl_11919020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_11919020.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 T0383 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2107808566.pdb -s /var/tmp/to_scwrl_2107808566.seq -o /var/tmp/from_scwrl_2107808566.pdb > /var/tmp/scwrl_2107808566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107808566.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 T0383 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1783744314.pdb -s /var/tmp/to_scwrl_1783744314.seq -o /var/tmp/from_scwrl_1783744314.pdb > /var/tmp/scwrl_1783744314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1783744314.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 120 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2129531258.pdb -s /var/tmp/to_scwrl_2129531258.seq -o /var/tmp/from_scwrl_2129531258.pdb > /var/tmp/scwrl_2129531258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2129531258.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 122 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_524879515.pdb -s /var/tmp/to_scwrl_524879515.seq -o /var/tmp/from_scwrl_524879515.pdb > /var/tmp/scwrl_524879515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_524879515.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 124 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1929934904.pdb -s /var/tmp/to_scwrl_1929934904.seq -o /var/tmp/from_scwrl_1929934904.pdb > /var/tmp/scwrl_1929934904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1929934904.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 122 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_437766564.pdb -s /var/tmp/to_scwrl_437766564.seq -o /var/tmp/from_scwrl_437766564.pdb > /var/tmp/scwrl_437766564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_437766564.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 120 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_891681906.pdb -s /var/tmp/to_scwrl_891681906.seq -o /var/tmp/from_scwrl_891681906.pdb > /var/tmp/scwrl_891681906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_891681906.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1133538455.pdb -s /var/tmp/to_scwrl_1133538455.seq -o /var/tmp/from_scwrl_1133538455.pdb > /var/tmp/scwrl_1133538455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1133538455.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 101 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_358604264.pdb -s /var/tmp/to_scwrl_358604264.seq -o /var/tmp/from_scwrl_358604264.pdb > /var/tmp/scwrl_358604264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358604264.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1932155637.pdb -s /var/tmp/to_scwrl_1932155637.seq -o /var/tmp/from_scwrl_1932155637.pdb > /var/tmp/scwrl_1932155637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932155637.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 19 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_759581192.pdb -s /var/tmp/to_scwrl_759581192.seq -o /var/tmp/from_scwrl_759581192.pdb > /var/tmp/scwrl_759581192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_759581192.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1388386851.pdb -s /var/tmp/to_scwrl_1388386851.seq -o /var/tmp/from_scwrl_1388386851.pdb > /var/tmp/scwrl_1388386851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1388386851.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1946681737.pdb -s /var/tmp/to_scwrl_1946681737.seq -o /var/tmp/from_scwrl_1946681737.pdb > /var/tmp/scwrl_1946681737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1946681737.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2108678167.pdb -s /var/tmp/to_scwrl_2108678167.seq -o /var/tmp/from_scwrl_2108678167.pdb > /var/tmp/scwrl_2108678167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2108678167.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1282695135.pdb -s /var/tmp/to_scwrl_1282695135.seq -o /var/tmp/from_scwrl_1282695135.pdb > /var/tmp/scwrl_1282695135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282695135.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1645229398.pdb -s /var/tmp/to_scwrl_1645229398.seq -o /var/tmp/from_scwrl_1645229398.pdb > /var/tmp/scwrl_1645229398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645229398.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1976096552.pdb -s /var/tmp/to_scwrl_1976096552.seq -o /var/tmp/from_scwrl_1976096552.pdb > /var/tmp/scwrl_1976096552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1976096552.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_254005754.pdb -s /var/tmp/to_scwrl_254005754.seq -o /var/tmp/from_scwrl_254005754.pdb > /var/tmp/scwrl_254005754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_254005754.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 66 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1325098878.pdb -s /var/tmp/to_scwrl_1325098878.seq -o /var/tmp/from_scwrl_1325098878.pdb > /var/tmp/scwrl_1325098878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325098878.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 62 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_908441278.pdb -s /var/tmp/to_scwrl_908441278.seq -o /var/tmp/from_scwrl_908441278.pdb > /var/tmp/scwrl_908441278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_908441278.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 T0383 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1741618323.pdb -s /var/tmp/to_scwrl_1741618323.seq -o /var/tmp/from_scwrl_1741618323.pdb > /var/tmp/scwrl_1741618323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741618323.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 T0383 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1451005721.pdb -s /var/tmp/to_scwrl_1451005721.seq -o /var/tmp/from_scwrl_1451005721.pdb > /var/tmp/scwrl_1451005721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1451005721.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 T0383 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1287316028.pdb -s /var/tmp/to_scwrl_1287316028.seq -o /var/tmp/from_scwrl_1287316028.pdb > /var/tmp/scwrl_1287316028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287316028.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 T0383 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_161639099.pdb -s /var/tmp/to_scwrl_161639099.seq -o /var/tmp/from_scwrl_161639099.pdb > /var/tmp/scwrl_161639099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161639099.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 T0383 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_48922642.pdb -s /var/tmp/to_scwrl_48922642.seq -o /var/tmp/from_scwrl_48922642.pdb > /var/tmp/scwrl_48922642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48922642.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 T0383 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1829610260.pdb -s /var/tmp/to_scwrl_1829610260.seq -o /var/tmp/from_scwrl_1829610260.pdb > /var/tmp/scwrl_1829610260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1829610260.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 # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1389832435.pdb -s /var/tmp/to_scwrl_1389832435.seq -o /var/tmp/from_scwrl_1389832435.pdb > /var/tmp/scwrl_1389832435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1389832435.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 T0383 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1747998295.pdb -s /var/tmp/to_scwrl_1747998295.seq -o /var/tmp/from_scwrl_1747998295.pdb > /var/tmp/scwrl_1747998295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1747998295.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 T0383 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1800991123.pdb -s /var/tmp/to_scwrl_1800991123.seq -o /var/tmp/from_scwrl_1800991123.pdb > /var/tmp/scwrl_1800991123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800991123.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_980313990.pdb -s /var/tmp/to_scwrl_980313990.seq -o /var/tmp/from_scwrl_980313990.pdb > /var/tmp/scwrl_980313990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_980313990.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 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1759917315.pdb -s /var/tmp/to_scwrl_1759917315.seq -o /var/tmp/from_scwrl_1759917315.pdb > /var/tmp/scwrl_1759917315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1759917315.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1761316042.pdb -s /var/tmp/to_scwrl_1761316042.seq -o /var/tmp/from_scwrl_1761316042.pdb > /var/tmp/scwrl_1761316042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761316042.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_616574658.pdb -s /var/tmp/to_scwrl_616574658.seq -o /var/tmp/from_scwrl_616574658.pdb > /var/tmp/scwrl_616574658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616574658.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 7 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1741964926.pdb -s /var/tmp/to_scwrl_1741964926.seq -o /var/tmp/from_scwrl_1741964926.pdb > /var/tmp/scwrl_1741964926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741964926.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_138711911.pdb -s /var/tmp/to_scwrl_138711911.seq -o /var/tmp/from_scwrl_138711911.pdb > /var/tmp/scwrl_138711911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_138711911.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_399025915.pdb -s /var/tmp/to_scwrl_399025915.seq -o /var/tmp/from_scwrl_399025915.pdb > /var/tmp/scwrl_399025915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399025915.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_32247843.pdb -s /var/tmp/to_scwrl_32247843.seq -o /var/tmp/from_scwrl_32247843.pdb > /var/tmp/scwrl_32247843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_32247843.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 38 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1030393817.pdb -s /var/tmp/to_scwrl_1030393817.seq -o /var/tmp/from_scwrl_1030393817.pdb > /var/tmp/scwrl_1030393817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030393817.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 115 ; scwrl3 -i /var/tmp/to_scwrl_1532564370.pdb -s /var/tmp/to_scwrl_1532564370.seq -o /var/tmp/from_scwrl_1532564370.pdb > /var/tmp/scwrl_1532564370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1532564370.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 7 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_390852107.pdb -s /var/tmp/to_scwrl_390852107.seq -o /var/tmp/from_scwrl_390852107.pdb > /var/tmp/scwrl_390852107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_390852107.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 81 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_815065807.pdb -s /var/tmp/to_scwrl_815065807.seq -o /var/tmp/from_scwrl_815065807.pdb > /var/tmp/scwrl_815065807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_815065807.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 125 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_144661916.pdb -s /var/tmp/to_scwrl_144661916.seq -o /var/tmp/from_scwrl_144661916.pdb > /var/tmp/scwrl_144661916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_144661916.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 126 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1779238959.pdb -s /var/tmp/to_scwrl_1779238959.seq -o /var/tmp/from_scwrl_1779238959.pdb > /var/tmp/scwrl_1779238959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779238959.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 126 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_614263897.pdb -s /var/tmp/to_scwrl_614263897.seq -o /var/tmp/from_scwrl_614263897.pdb > /var/tmp/scwrl_614263897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_614263897.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_105856436.pdb -s /var/tmp/to_scwrl_105856436.seq -o /var/tmp/from_scwrl_105856436.pdb > /var/tmp/scwrl_105856436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_105856436.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_914450448.pdb -s /var/tmp/to_scwrl_914450448.seq -o /var/tmp/from_scwrl_914450448.pdb > /var/tmp/scwrl_914450448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_914450448.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_112009648.pdb -s /var/tmp/to_scwrl_112009648.seq -o /var/tmp/from_scwrl_112009648.pdb > /var/tmp/scwrl_112009648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_112009648.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2081952988.pdb -s /var/tmp/to_scwrl_2081952988.seq -o /var/tmp/from_scwrl_2081952988.pdb > /var/tmp/scwrl_2081952988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081952988.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1168456201.pdb -s /var/tmp/to_scwrl_1168456201.seq -o /var/tmp/from_scwrl_1168456201.pdb > /var/tmp/scwrl_1168456201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1168456201.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1437108527.pdb -s /var/tmp/to_scwrl_1437108527.seq -o /var/tmp/from_scwrl_1437108527.pdb > /var/tmp/scwrl_1437108527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1437108527.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_842910620.pdb -s /var/tmp/to_scwrl_842910620.seq -o /var/tmp/from_scwrl_842910620.pdb > /var/tmp/scwrl_842910620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842910620.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_762590878.pdb -s /var/tmp/to_scwrl_762590878.seq -o /var/tmp/from_scwrl_762590878.pdb > /var/tmp/scwrl_762590878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_762590878.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_740630602.pdb -s /var/tmp/to_scwrl_740630602.seq -o /var/tmp/from_scwrl_740630602.pdb > /var/tmp/scwrl_740630602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_740630602.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 115 ; scwrl3 -i /var/tmp/to_scwrl_2130226648.pdb -s /var/tmp/to_scwrl_2130226648.seq -o /var/tmp/from_scwrl_2130226648.pdb > /var/tmp/scwrl_2130226648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2130226648.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 115 ; scwrl3 -i /var/tmp/to_scwrl_924229978.pdb -s /var/tmp/to_scwrl_924229978.seq -o /var/tmp/from_scwrl_924229978.pdb > /var/tmp/scwrl_924229978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_924229978.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 115 ; scwrl3 -i /var/tmp/to_scwrl_789553244.pdb -s /var/tmp/to_scwrl_789553244.seq -o /var/tmp/from_scwrl_789553244.pdb > /var/tmp/scwrl_789553244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_789553244.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 115 ; scwrl3 -i /var/tmp/to_scwrl_1812353261.pdb -s /var/tmp/to_scwrl_1812353261.seq -o /var/tmp/from_scwrl_1812353261.pdb > /var/tmp/scwrl_1812353261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812353261.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 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_166578766.pdb -s /var/tmp/to_scwrl_166578766.seq -o /var/tmp/from_scwrl_166578766.pdb > /var/tmp/scwrl_166578766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166578766.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 53 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_390067892.pdb -s /var/tmp/to_scwrl_390067892.seq -o /var/tmp/from_scwrl_390067892.pdb > /var/tmp/scwrl_390067892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_390067892.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 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1465860737.pdb -s /var/tmp/to_scwrl_1465860737.seq -o /var/tmp/from_scwrl_1465860737.pdb > /var/tmp/scwrl_1465860737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1465860737.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 115 ; scwrl3 -i /var/tmp/to_scwrl_1146892756.pdb -s /var/tmp/to_scwrl_1146892756.seq -o /var/tmp/from_scwrl_1146892756.pdb > /var/tmp/scwrl_1146892756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1146892756.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 100 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2501560.pdb -s /var/tmp/to_scwrl_2501560.seq -o /var/tmp/from_scwrl_2501560.pdb > /var/tmp/scwrl_2501560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2501560.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 # Found a chain break before 3 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1079693133.pdb -s /var/tmp/to_scwrl_1079693133.seq -o /var/tmp/from_scwrl_1079693133.pdb > /var/tmp/scwrl_1079693133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079693133.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 # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1763467414.pdb -s /var/tmp/to_scwrl_1763467414.seq -o /var/tmp/from_scwrl_1763467414.pdb > /var/tmp/scwrl_1763467414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763467414.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1744466487.pdb -s /var/tmp/to_scwrl_1744466487.seq -o /var/tmp/from_scwrl_1744466487.pdb > /var/tmp/scwrl_1744466487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1744466487.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1218405044.pdb -s /var/tmp/to_scwrl_1218405044.seq -o /var/tmp/from_scwrl_1218405044.pdb > /var/tmp/scwrl_1218405044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1218405044.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_15009682.pdb -s /var/tmp/to_scwrl_15009682.seq -o /var/tmp/from_scwrl_15009682.pdb > /var/tmp/scwrl_15009682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_15009682.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 T0383 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1776714330.pdb -s /var/tmp/to_scwrl_1776714330.seq -o /var/tmp/from_scwrl_1776714330.pdb > /var/tmp/scwrl_1776714330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1776714330.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 T0383 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_101315214.pdb -s /var/tmp/to_scwrl_101315214.seq -o /var/tmp/from_scwrl_101315214.pdb > /var/tmp/scwrl_101315214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101315214.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 T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1547574052.pdb -s /var/tmp/to_scwrl_1547574052.seq -o /var/tmp/from_scwrl_1547574052.pdb > /var/tmp/scwrl_1547574052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1547574052.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 T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_20082791.pdb -s /var/tmp/to_scwrl_20082791.seq -o /var/tmp/from_scwrl_20082791.pdb > /var/tmp/scwrl_20082791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_20082791.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 T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_916381021.pdb -s /var/tmp/to_scwrl_916381021.seq -o /var/tmp/from_scwrl_916381021.pdb > /var/tmp/scwrl_916381021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916381021.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 T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1692235968.pdb -s /var/tmp/to_scwrl_1692235968.seq -o /var/tmp/from_scwrl_1692235968.pdb > /var/tmp/scwrl_1692235968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692235968.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1799321750.pdb -s /var/tmp/to_scwrl_1799321750.seq -o /var/tmp/from_scwrl_1799321750.pdb > /var/tmp/scwrl_1799321750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1799321750.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 # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1530644917.pdb -s /var/tmp/to_scwrl_1530644917.seq -o /var/tmp/from_scwrl_1530644917.pdb > /var/tmp/scwrl_1530644917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1530644917.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 # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1798092404.pdb -s /var/tmp/to_scwrl_1798092404.seq -o /var/tmp/from_scwrl_1798092404.pdb > /var/tmp/scwrl_1798092404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1798092404.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 121 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_566288551.pdb -s /var/tmp/to_scwrl_566288551.seq -o /var/tmp/from_scwrl_566288551.pdb > /var/tmp/scwrl_566288551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_566288551.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1642654565.pdb -s /var/tmp/to_scwrl_1642654565.seq -o /var/tmp/from_scwrl_1642654565.pdb > /var/tmp/scwrl_1642654565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642654565.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1732561746.pdb -s /var/tmp/to_scwrl_1732561746.seq -o /var/tmp/from_scwrl_1732561746.pdb > /var/tmp/scwrl_1732561746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1732561746.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1734744753.pdb -s /var/tmp/to_scwrl_1734744753.seq -o /var/tmp/from_scwrl_1734744753.pdb > /var/tmp/scwrl_1734744753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734744753.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 19 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_932279446.pdb -s /var/tmp/to_scwrl_932279446.seq -o /var/tmp/from_scwrl_932279446.pdb > /var/tmp/scwrl_932279446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_932279446.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 115 ; scwrl3 -i /var/tmp/to_scwrl_427988719.pdb -s /var/tmp/to_scwrl_427988719.seq -o /var/tmp/from_scwrl_427988719.pdb > /var/tmp/scwrl_427988719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_427988719.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 115 ; scwrl3 -i /var/tmp/to_scwrl_349851984.pdb -s /var/tmp/to_scwrl_349851984.seq -o /var/tmp/from_scwrl_349851984.pdb > /var/tmp/scwrl_349851984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_349851984.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 # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1672910047.pdb -s /var/tmp/to_scwrl_1672910047.seq -o /var/tmp/from_scwrl_1672910047.pdb > /var/tmp/scwrl_1672910047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1672910047.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 63 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_410731720.pdb -s /var/tmp/to_scwrl_410731720.seq -o /var/tmp/from_scwrl_410731720.pdb > /var/tmp/scwrl_410731720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410731720.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 126 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1274081961.pdb -s /var/tmp/to_scwrl_1274081961.seq -o /var/tmp/from_scwrl_1274081961.pdb > /var/tmp/scwrl_1274081961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1274081961.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 # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_314979645.pdb -s /var/tmp/to_scwrl_314979645.seq -o /var/tmp/from_scwrl_314979645.pdb > /var/tmp/scwrl_314979645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_314979645.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 91 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_75601335.pdb -s /var/tmp/to_scwrl_75601335.seq -o /var/tmp/from_scwrl_75601335.pdb > /var/tmp/scwrl_75601335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_75601335.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 117 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1440660728.pdb -s /var/tmp/to_scwrl_1440660728.seq -o /var/tmp/from_scwrl_1440660728.pdb > /var/tmp/scwrl_1440660728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1440660728.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_705047537.pdb -s /var/tmp/to_scwrl_705047537.seq -o /var/tmp/from_scwrl_705047537.pdb > /var/tmp/scwrl_705047537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_705047537.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1541462072.pdb -s /var/tmp/to_scwrl_1541462072.seq -o /var/tmp/from_scwrl_1541462072.pdb > /var/tmp/scwrl_1541462072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1541462072.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_440069838.pdb -s /var/tmp/to_scwrl_440069838.seq -o /var/tmp/from_scwrl_440069838.pdb > /var/tmp/scwrl_440069838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440069838.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_707549098.pdb -s /var/tmp/to_scwrl_707549098.seq -o /var/tmp/from_scwrl_707549098.pdb > /var/tmp/scwrl_707549098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707549098.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_473671559.pdb -s /var/tmp/to_scwrl_473671559.seq -o /var/tmp/from_scwrl_473671559.pdb > /var/tmp/scwrl_473671559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_473671559.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 115 ; scwrl3 -i /var/tmp/to_scwrl_56053605.pdb -s /var/tmp/to_scwrl_56053605.seq -o /var/tmp/from_scwrl_56053605.pdb > /var/tmp/scwrl_56053605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56053605.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_304531938.pdb -s /var/tmp/to_scwrl_304531938.seq -o /var/tmp/from_scwrl_304531938.pdb > /var/tmp/scwrl_304531938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_304531938.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 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1692076603.pdb -s /var/tmp/to_scwrl_1692076603.seq -o /var/tmp/from_scwrl_1692076603.pdb > /var/tmp/scwrl_1692076603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692076603.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_71063287.pdb -s /var/tmp/to_scwrl_71063287.seq -o /var/tmp/from_scwrl_71063287.pdb > /var/tmp/scwrl_71063287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71063287.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2081246268.pdb -s /var/tmp/to_scwrl_2081246268.seq -o /var/tmp/from_scwrl_2081246268.pdb > /var/tmp/scwrl_2081246268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081246268.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1793391817.pdb -s /var/tmp/to_scwrl_1793391817.seq -o /var/tmp/from_scwrl_1793391817.pdb > /var/tmp/scwrl_1793391817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793391817.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1618637339.pdb -s /var/tmp/to_scwrl_1618637339.seq -o /var/tmp/from_scwrl_1618637339.pdb > /var/tmp/scwrl_1618637339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1618637339.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2101329059.pdb -s /var/tmp/to_scwrl_2101329059.seq -o /var/tmp/from_scwrl_2101329059.pdb > /var/tmp/scwrl_2101329059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101329059.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_562289191.pdb -s /var/tmp/to_scwrl_562289191.seq -o /var/tmp/from_scwrl_562289191.pdb > /var/tmp/scwrl_562289191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562289191.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 T0383 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1163389661.pdb -s /var/tmp/to_scwrl_1163389661.seq -o /var/tmp/from_scwrl_1163389661.pdb > /var/tmp/scwrl_1163389661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1163389661.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 T0383 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1753167162.pdb -s /var/tmp/to_scwrl_1753167162.seq -o /var/tmp/from_scwrl_1753167162.pdb > /var/tmp/scwrl_1753167162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1753167162.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2092934108.pdb -s /var/tmp/to_scwrl_2092934108.seq -o /var/tmp/from_scwrl_2092934108.pdb > /var/tmp/scwrl_2092934108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2092934108.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 T0383 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_813998419.pdb -s /var/tmp/to_scwrl_813998419.seq -o /var/tmp/from_scwrl_813998419.pdb > /var/tmp/scwrl_813998419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_813998419.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 T0383 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_171972067.pdb -s /var/tmp/to_scwrl_171972067.seq -o /var/tmp/from_scwrl_171972067.pdb > /var/tmp/scwrl_171972067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171972067.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1588105027.pdb -s /var/tmp/to_scwrl_1588105027.seq -o /var/tmp/from_scwrl_1588105027.pdb > /var/tmp/scwrl_1588105027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1588105027.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 T0383 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_399076518.pdb -s /var/tmp/to_scwrl_399076518.seq -o /var/tmp/from_scwrl_399076518.pdb > /var/tmp/scwrl_399076518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399076518.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 T0383 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1906716820.pdb -s /var/tmp/to_scwrl_1906716820.seq -o /var/tmp/from_scwrl_1906716820.pdb > /var/tmp/scwrl_1906716820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906716820.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 T0383 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_372900826.pdb -s /var/tmp/to_scwrl_372900826.seq -o /var/tmp/from_scwrl_372900826.pdb > /var/tmp/scwrl_372900826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_372900826.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 T0383 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_827065237.pdb -s /var/tmp/to_scwrl_827065237.seq -o /var/tmp/from_scwrl_827065237.pdb > /var/tmp/scwrl_827065237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827065237.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_109085157.pdb -s /var/tmp/to_scwrl_109085157.seq -o /var/tmp/from_scwrl_109085157.pdb > /var/tmp/scwrl_109085157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_109085157.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 66 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2045810874.pdb -s /var/tmp/to_scwrl_2045810874.seq -o /var/tmp/from_scwrl_2045810874.pdb > /var/tmp/scwrl_2045810874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2045810874.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 50 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1237796957.pdb -s /var/tmp/to_scwrl_1237796957.seq -o /var/tmp/from_scwrl_1237796957.pdb > /var/tmp/scwrl_1237796957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237796957.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1383167119.pdb -s /var/tmp/to_scwrl_1383167119.seq -o /var/tmp/from_scwrl_1383167119.pdb > /var/tmp/scwrl_1383167119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1383167119.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_213306872.pdb -s /var/tmp/to_scwrl_213306872.seq -o /var/tmp/from_scwrl_213306872.pdb > /var/tmp/scwrl_213306872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213306872.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 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1313398292.pdb -s /var/tmp/to_scwrl_1313398292.seq -o /var/tmp/from_scwrl_1313398292.pdb > /var/tmp/scwrl_1313398292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1313398292.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_676344201.pdb -s /var/tmp/to_scwrl_676344201.seq -o /var/tmp/from_scwrl_676344201.pdb > /var/tmp/scwrl_676344201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_676344201.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 105 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_918354409.pdb -s /var/tmp/to_scwrl_918354409.seq -o /var/tmp/from_scwrl_918354409.pdb > /var/tmp/scwrl_918354409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918354409.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_707376718.pdb -s /var/tmp/to_scwrl_707376718.seq -o /var/tmp/from_scwrl_707376718.pdb > /var/tmp/scwrl_707376718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707376718.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 121 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1116414038.pdb -s /var/tmp/to_scwrl_1116414038.seq -o /var/tmp/from_scwrl_1116414038.pdb > /var/tmp/scwrl_1116414038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1116414038.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 80 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1625903506.pdb -s /var/tmp/to_scwrl_1625903506.seq -o /var/tmp/from_scwrl_1625903506.pdb > /var/tmp/scwrl_1625903506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1625903506.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 119 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1181048277.pdb -s /var/tmp/to_scwrl_1181048277.seq -o /var/tmp/from_scwrl_1181048277.pdb > /var/tmp/scwrl_1181048277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181048277.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 66 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1172467643.pdb -s /var/tmp/to_scwrl_1172467643.seq -o /var/tmp/from_scwrl_1172467643.pdb > /var/tmp/scwrl_1172467643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1172467643.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1930435444.pdb -s /var/tmp/to_scwrl_1930435444.seq -o /var/tmp/from_scwrl_1930435444.pdb > /var/tmp/scwrl_1930435444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1930435444.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_725641234.pdb -s /var/tmp/to_scwrl_725641234.seq -o /var/tmp/from_scwrl_725641234.pdb > /var/tmp/scwrl_725641234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_725641234.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 T0383 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1243530930.pdb -s /var/tmp/to_scwrl_1243530930.seq -o /var/tmp/from_scwrl_1243530930.pdb > /var/tmp/scwrl_1243530930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1243530930.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 T0383 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1864198066.pdb -s /var/tmp/to_scwrl_1864198066.seq -o /var/tmp/from_scwrl_1864198066.pdb > /var/tmp/scwrl_1864198066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1864198066.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 T0383 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_371549405.pdb -s /var/tmp/to_scwrl_371549405.seq -o /var/tmp/from_scwrl_371549405.pdb > /var/tmp/scwrl_371549405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_371549405.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 T0383 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_714684623.pdb -s /var/tmp/to_scwrl_714684623.seq -o /var/tmp/from_scwrl_714684623.pdb > /var/tmp/scwrl_714684623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_714684623.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 T0383 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1818043478.pdb -s /var/tmp/to_scwrl_1818043478.seq -o /var/tmp/from_scwrl_1818043478.pdb > /var/tmp/scwrl_1818043478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1818043478.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 T0383 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_933838596.pdb -s /var/tmp/to_scwrl_933838596.seq -o /var/tmp/from_scwrl_933838596.pdb > /var/tmp/scwrl_933838596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933838596.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 T0383 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1878074284.pdb -s /var/tmp/to_scwrl_1878074284.seq -o /var/tmp/from_scwrl_1878074284.pdb > /var/tmp/scwrl_1878074284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878074284.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 T0383 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1423726994.pdb -s /var/tmp/to_scwrl_1423726994.seq -o /var/tmp/from_scwrl_1423726994.pdb > /var/tmp/scwrl_1423726994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423726994.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 T0383 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_879289058.pdb -s /var/tmp/to_scwrl_879289058.seq -o /var/tmp/from_scwrl_879289058.pdb > /var/tmp/scwrl_879289058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_879289058.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 T0383 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_544589057.pdb -s /var/tmp/to_scwrl_544589057.seq -o /var/tmp/from_scwrl_544589057.pdb > /var/tmp/scwrl_544589057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_544589057.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 T0383 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1595699061.pdb -s /var/tmp/to_scwrl_1595699061.seq -o /var/tmp/from_scwrl_1595699061.pdb > /var/tmp/scwrl_1595699061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595699061.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 121 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_319910438.pdb -s /var/tmp/to_scwrl_319910438.seq -o /var/tmp/from_scwrl_319910438.pdb > /var/tmp/scwrl_319910438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_319910438.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 117 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_943665575.pdb -s /var/tmp/to_scwrl_943665575.seq -o /var/tmp/from_scwrl_943665575.pdb > /var/tmp/scwrl_943665575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_943665575.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1354932234.pdb -s /var/tmp/to_scwrl_1354932234.seq -o /var/tmp/from_scwrl_1354932234.pdb > /var/tmp/scwrl_1354932234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1354932234.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_692811264.pdb -s /var/tmp/to_scwrl_692811264.seq -o /var/tmp/from_scwrl_692811264.pdb > /var/tmp/scwrl_692811264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_692811264.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 118 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1770730812.pdb -s /var/tmp/to_scwrl_1770730812.seq -o /var/tmp/from_scwrl_1770730812.pdb > /var/tmp/scwrl_1770730812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1770730812.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 124 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1464017391.pdb -s /var/tmp/to_scwrl_1464017391.seq -o /var/tmp/from_scwrl_1464017391.pdb > /var/tmp/scwrl_1464017391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1464017391.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 T0383 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_591138491.pdb -s /var/tmp/to_scwrl_591138491.seq -o /var/tmp/from_scwrl_591138491.pdb > /var/tmp/scwrl_591138491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591138491.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 T0383 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_861044123.pdb -s /var/tmp/to_scwrl_861044123.seq -o /var/tmp/from_scwrl_861044123.pdb > /var/tmp/scwrl_861044123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_861044123.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 T0383 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_699700864.pdb -s /var/tmp/to_scwrl_699700864.seq -o /var/tmp/from_scwrl_699700864.pdb > /var/tmp/scwrl_699700864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_699700864.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 T0383 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_804445363.pdb -s /var/tmp/to_scwrl_804445363.seq -o /var/tmp/from_scwrl_804445363.pdb > /var/tmp/scwrl_804445363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_804445363.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 Skipped atom 462, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 464, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 466, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 468, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz # WARNING: incomplete conformation T0383 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 115 ; scwrl3 -i /var/tmp/to_scwrl_26958768.pdb -s /var/tmp/to_scwrl_26958768.seq -o /var/tmp/from_scwrl_26958768.pdb > /var/tmp/scwrl_26958768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_26958768.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 T0383 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1376045064.pdb -s /var/tmp/to_scwrl_1376045064.seq -o /var/tmp/from_scwrl_1376045064.pdb > /var/tmp/scwrl_1376045064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376045064.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1722799772.pdb -s /var/tmp/to_scwrl_1722799772.seq -o /var/tmp/from_scwrl_1722799772.pdb > /var/tmp/scwrl_1722799772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722799772.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_734335486.pdb -s /var/tmp/to_scwrl_734335486.seq -o /var/tmp/from_scwrl_734335486.pdb > /var/tmp/scwrl_734335486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734335486.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 101 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_344975456.pdb -s /var/tmp/to_scwrl_344975456.seq -o /var/tmp/from_scwrl_344975456.pdb > /var/tmp/scwrl_344975456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344975456.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 # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1201219631.pdb -s /var/tmp/to_scwrl_1201219631.seq -o /var/tmp/from_scwrl_1201219631.pdb > /var/tmp/scwrl_1201219631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201219631.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 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1915383763.pdb -s /var/tmp/to_scwrl_1915383763.seq -o /var/tmp/from_scwrl_1915383763.pdb > /var/tmp/scwrl_1915383763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915383763.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: (T0383)D80.O and (T0383)G81.N only 0.000 apart, marking (T0383)G81.N as missing WARNING: atoms too close: (T0383)L103.O and (T0383)N104.N only 0.000 apart, marking (T0383)N104.N as missing WARNING: atoms too close: (T0383)N124.O and (T0383)L125.N only 0.000 apart, marking (T0383)L125.N as missing # WARNING: incomplete conformation T0383 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 115 ; scwrl3 -i /var/tmp/to_scwrl_1517443099.pdb -s /var/tmp/to_scwrl_1517443099.seq -o /var/tmp/from_scwrl_1517443099.pdb > /var/tmp/scwrl_1517443099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1517443099.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0383)L120.O and (T0383)P121.N only 0.000 apart, marking (T0383)P121.N as missing # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_984171430.pdb -s /var/tmp/to_scwrl_984171430.seq -o /var/tmp/from_scwrl_984171430.pdb > /var/tmp/scwrl_984171430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_984171430.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0383)R8.O and (T0383)E9.N only 0.000 apart, marking (T0383)E9.N as missing # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_493541351.pdb -s /var/tmp/to_scwrl_493541351.seq -o /var/tmp/from_scwrl_493541351.pdb > /var/tmp/scwrl_493541351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493541351.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_613490383.pdb -s /var/tmp/to_scwrl_613490383.seq -o /var/tmp/from_scwrl_613490383.pdb > /var/tmp/scwrl_613490383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613490383.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_700885849.pdb -s /var/tmp/to_scwrl_700885849.seq -o /var/tmp/from_scwrl_700885849.pdb > /var/tmp/scwrl_700885849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_700885849.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_865090756.pdb -s /var/tmp/to_scwrl_865090756.seq -o /var/tmp/from_scwrl_865090756.pdb > /var/tmp/scwrl_865090756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865090756.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 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1328175006.pdb -s /var/tmp/to_scwrl_1328175006.seq -o /var/tmp/from_scwrl_1328175006.pdb > /var/tmp/scwrl_1328175006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328175006.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 T0383 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_371445680.pdb -s /var/tmp/to_scwrl_371445680.seq -o /var/tmp/from_scwrl_371445680.pdb > /var/tmp/scwrl_371445680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_371445680.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 T0383 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1798929351.pdb -s /var/tmp/to_scwrl_1798929351.seq -o /var/tmp/from_scwrl_1798929351.pdb > /var/tmp/scwrl_1798929351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1798929351.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 T0383 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1058765644.pdb -s /var/tmp/to_scwrl_1058765644.seq -o /var/tmp/from_scwrl_1058765644.pdb > /var/tmp/scwrl_1058765644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1058765644.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 79 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1795172674.pdb -s /var/tmp/to_scwrl_1795172674.seq -o /var/tmp/from_scwrl_1795172674.pdb > /var/tmp/scwrl_1795172674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1795172674.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_530734762.pdb -s /var/tmp/to_scwrl_530734762.seq -o /var/tmp/from_scwrl_530734762.pdb > /var/tmp/scwrl_530734762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530734762.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1603354700.pdb -s /var/tmp/to_scwrl_1603354700.seq -o /var/tmp/from_scwrl_1603354700.pdb > /var/tmp/scwrl_1603354700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1603354700.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1243388088.pdb -s /var/tmp/to_scwrl_1243388088.seq -o /var/tmp/from_scwrl_1243388088.pdb > /var/tmp/scwrl_1243388088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1243388088.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_850645200.pdb -s /var/tmp/to_scwrl_850645200.seq -o /var/tmp/from_scwrl_850645200.pdb > /var/tmp/scwrl_850645200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_850645200.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 T0383 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_399536629.pdb -s /var/tmp/to_scwrl_399536629.seq -o /var/tmp/from_scwrl_399536629.pdb > /var/tmp/scwrl_399536629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399536629.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: atom 1 has residue number 1 < previous residue 127 in servers/nFOLD_TS1.pdb.gz # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_450836676.pdb -s /var/tmp/to_scwrl_450836676.seq -o /var/tmp/from_scwrl_450836676.pdb > /var/tmp/scwrl_450836676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_450836676.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 T0383 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1543456464.pdb -s /var/tmp/to_scwrl_1543456464.seq -o /var/tmp/from_scwrl_1543456464.pdb > /var/tmp/scwrl_1543456464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543456464.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 127 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_22783794.pdb -s /var/tmp/to_scwrl_22783794.seq -o /var/tmp/from_scwrl_22783794.pdb > /var/tmp/scwrl_22783794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_22783794.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 T0383 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_1914854068.pdb -s /var/tmp/to_scwrl_1914854068.seq -o /var/tmp/from_scwrl_1914854068.pdb > /var/tmp/scwrl_1914854068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914854068.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 127 in servers/nFOLD_TS5.pdb.gz # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_2134594955.pdb -s /var/tmp/to_scwrl_2134594955.seq -o /var/tmp/from_scwrl_2134594955.pdb > /var/tmp/scwrl_2134594955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2134594955.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_883827917.pdb -s /var/tmp/to_scwrl_883827917.seq -o /var/tmp/from_scwrl_883827917.pdb > /var/tmp/scwrl_883827917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_883827917.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0383 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 115 ; scwrl3 -i /var/tmp/to_scwrl_467071285.pdb -s /var/tmp/to_scwrl_467071285.seq -o /var/tmp/from_scwrl_467071285.pdb > /var/tmp/scwrl_467071285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467071285.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 100.490 sec, elapsed time= 411.565 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 79.306 real_cost = 364.048 shub_TS1 costs 79.289 real_cost = 353.054 panther2_TS1-scwrl costs 107.975 real_cost = 478.617 panther2_TS1 costs 107.945 real_cost = 474.975 nFOLD_TS5-scwrl costs 111.574 real_cost = 454.883 nFOLD_TS5 costs 111.564 real_cost = 501.788 nFOLD_TS4-scwrl costs 77.292 real_cost = 166.141 nFOLD_TS4 costs 77.189 real_cost = 216.531 nFOLD_TS3-scwrl costs 107.436 real_cost = 444.208 nFOLD_TS3 costs 107.387 real_cost = 493.028 nFOLD_TS2-scwrl costs 88.181 real_cost = 304.070 nFOLD_TS2 costs 88.120 real_cost = 371.394 nFOLD_TS1-scwrl costs 107.436 real_cost = 444.208 nFOLD_TS1 costs 107.387 real_cost = 493.028 mGen-3D_TS1-scwrl costs 77.541 real_cost = 167.499 mGen-3D_TS1 costs 77.478 real_cost = 221.621 keasar-server_TS5-scwrl costs 88.219 real_cost = 312.426 keasar-server_TS5 costs 88.203 real_cost = 335.917 keasar-server_TS4-scwrl costs 88.219 real_cost = 312.426 keasar-server_TS4 costs 88.203 real_cost = 335.917 keasar-server_TS3-scwrl costs 98.629 real_cost = 317.183 keasar-server_TS3 costs 98.662 real_cost = 332.236 keasar-server_TS2-scwrl costs 106.843 real_cost = 316.486 keasar-server_TS2 costs 106.861 real_cost = 337.029 keasar-server_TS1-scwrl costs 99.039 real_cost = 180.237 keasar-server_TS1 costs 99.039 real_cost = 186.397 karypis.srv_TS5-scwrl costs 108.240 real_cost = 318.952 karypis.srv_TS5 costs 108.177 real_cost = 318.060 karypis.srv_TS4-scwrl costs 89.133 real_cost = 305.421 karypis.srv_TS4 costs 89.071 real_cost = 304.805 karypis.srv_TS3-scwrl costs 81.335 real_cost = 160.972 karypis.srv_TS3 costs 81.331 real_cost = 158.567 karypis.srv_TS2-scwrl costs 84.228 real_cost = 130.251 karypis.srv_TS2 costs 84.228 real_cost = 130.251 karypis.srv_TS1-scwrl costs 88.011 real_cost = 284.127 karypis.srv_TS1 costs 87.948 real_cost = 284.305 karypis.srv.4_TS5-scwrl costs 133.060 real_cost = 300.825 karypis.srv.4_TS5 costs 133.060 real_cost = 300.825 karypis.srv.4_TS4-scwrl costs 121.105 real_cost = 297.510 karypis.srv.4_TS4 costs 121.105 real_cost = 297.613 karypis.srv.4_TS3-scwrl costs 164.085 real_cost = 338.407 karypis.srv.4_TS3 costs 164.085 real_cost = 338.404 karypis.srv.4_TS2-scwrl costs 149.935 real_cost = 342.935 karypis.srv.4_TS2 costs 149.935 real_cost = 342.576 karypis.srv.4_TS1-scwrl costs 158.297 real_cost = 345.972 karypis.srv.4_TS1 costs 158.297 real_cost = 345.816 karypis.srv.2_TS5-scwrl costs 90.759 real_cost = 300.283 karypis.srv.2_TS5 costs 90.759 real_cost = 300.283 karypis.srv.2_TS4-scwrl costs 88.050 real_cost = 308.759 karypis.srv.2_TS4 costs 88.050 real_cost = 308.759 karypis.srv.2_TS3-scwrl costs 103.067 real_cost = 329.357 karypis.srv.2_TS3 costs 103.067 real_cost = 329.357 karypis.srv.2_TS2-scwrl costs 85.674 real_cost = 288.636 karypis.srv.2_TS2 costs 85.674 real_cost = 288.987 karypis.srv.2_TS1-scwrl costs 94.654 real_cost = 305.262 karypis.srv.2_TS1 costs 94.654 real_cost = 305.262 forecast-s_AL5-scwrl costs 121.801 real_cost = 460.255 forecast-s_AL5 costs 121.792 real_cost = 497.187 forecast-s_AL4-scwrl costs 122.302 real_cost = 422.405 forecast-s_AL4 costs 122.302 real_cost = 423.499 forecast-s_AL3-scwrl costs 98.926 real_cost = 346.170 forecast-s_AL3 costs 99.099 real_cost = 430.807 forecast-s_AL2-scwrl costs 101.691 real_cost = 395.485 forecast-s_AL2 costs 101.720 real_cost = 447.166 forecast-s_AL1-scwrl costs 139.344 real_cost = 451.850 forecast-s_AL1 costs 139.511 real_cost = 498.557 beautshotbase_TS1-scwrl costs 84.116 real_cost = 330.082 beautshotbase_TS1 costs 84.062 real_cost = 328.504 beautshot_TS1-scwrl costs 114.863 real_cost = 288.029 beautshot_TS1 costs 114.863 real_cost = 296.138 Zhang-Server_TS5-scwrl costs 72.167 real_cost = 31.683 Zhang-Server_TS5 costs 72.167 real_cost = 31.678 Zhang-Server_TS4-scwrl costs 70.446 real_cost = 71.181 Zhang-Server_TS4 costs 70.446 real_cost = 71.170 Zhang-Server_TS3-scwrl costs 91.961 real_cost = 61.990 Zhang-Server_TS3 costs 91.961 real_cost = 62.025 Zhang-Server_TS2-scwrl costs 78.097 real_cost = 24.384 Zhang-Server_TS2 costs 78.097 real_cost = 24.384 Zhang-Server_TS1-scwrl costs 71.531 real_cost = 26.594 Zhang-Server_TS1 costs 71.531 real_cost = 26.594 UNI-EID_sfst_AL5-scwrl costs 86.470 real_cost = 366.269 UNI-EID_sfst_AL5 costs 86.526 real_cost = 410.869 UNI-EID_sfst_AL4-scwrl costs 91.190 real_cost = 315.611 UNI-EID_sfst_AL4 costs 91.187 real_cost = 353.858 UNI-EID_sfst_AL3-scwrl costs 85.714 real_cost = 202.095 UNI-EID_sfst_AL3 costs 85.761 real_cost = 244.911 UNI-EID_sfst_AL2-scwrl costs 80.067 real_cost = 192.895 UNI-EID_sfst_AL2 costs 80.109 real_cost = 247.298 UNI-EID_sfst_AL1-scwrl costs 85.276 real_cost = 183.387 UNI-EID_sfst_AL1 costs 85.340 real_cost = 234.384 UNI-EID_expm_TS1-scwrl costs 97.073 real_cost = 101.794 UNI-EID_expm_TS1 costs 97.045 real_cost = 141.382 UNI-EID_bnmx_TS5-scwrl costs 108.490 real_cost = 345.501 UNI-EID_bnmx_TS5 costs 108.537 real_cost = 418.845 UNI-EID_bnmx_TS4-scwrl costs 95.397 real_cost = 295.162 UNI-EID_bnmx_TS4 costs 95.435 real_cost = 364.209 UNI-EID_bnmx_TS3-scwrl costs 87.094 real_cost = 96.220 UNI-EID_bnmx_TS3 costs 87.070 real_cost = 161.644 UNI-EID_bnmx_TS2-scwrl costs 79.258 real_cost = 91.080 UNI-EID_bnmx_TS2 costs 79.260 real_cost = 159.395 UNI-EID_bnmx_TS1-scwrl costs 83.066 real_cost = 76.389 UNI-EID_bnmx_TS1 costs 83.127 real_cost = 143.815 SPARKS2_TS5-scwrl costs 81.719 real_cost = 276.182 SPARKS2_TS5 costs 81.719 real_cost = 280.163 SPARKS2_TS4-scwrl costs 103.208 real_cost = 296.361 SPARKS2_TS4 costs 103.208 real_cost = 299.437 SPARKS2_TS3-scwrl costs 75.003 real_cost = 252.901 SPARKS2_TS3 costs 75.003 real_cost = 260.251 SPARKS2_TS2-scwrl costs 94.247 real_cost = 265.160 SPARKS2_TS2 costs 94.247 real_cost = 268.737 SPARKS2_TS1-scwrl costs 107.300 real_cost = 290.138 SPARKS2_TS1 costs 107.300 real_cost = 289.334 SP4_TS5-scwrl costs 69.474 real_cost = 117.641 SP4_TS5 costs 69.474 real_cost = 127.236 SP4_TS4-scwrl costs 72.417 real_cost = 268.028 SP4_TS4 costs 72.417 real_cost = 278.204 SP4_TS3-scwrl costs 87.362 real_cost = 266.463 SP4_TS3 costs 87.362 real_cost = 273.634 SP4_TS2-scwrl costs 75.260 real_cost = 283.305 SP4_TS2 costs 75.260 real_cost = 285.814 SP4_TS1-scwrl costs 74.466 real_cost = 272.623 SP4_TS1 costs 74.466 real_cost = 275.052 SP3_TS5-scwrl costs 78.997 real_cost = 260.457 SP3_TS5 costs 78.997 real_cost = 259.296 SP3_TS4-scwrl costs 72.235 real_cost = 269.278 SP3_TS4 costs 72.235 real_cost = 276.072 SP3_TS3-scwrl costs 77.817 real_cost = 259.667 SP3_TS3 costs 77.817 real_cost = 267.426 SP3_TS2-scwrl costs 85.199 real_cost = 268.711 SP3_TS2 costs 85.199 real_cost = 272.611 SP3_TS1-scwrl costs 77.043 real_cost = 267.364 SP3_TS1 costs 77.043 real_cost = 271.463 SAM_T06_server_TS5-scwrl costs 90.555 real_cost = 360.737 SAM_T06_server_TS5 costs 90.772 real_cost = 344.346 SAM_T06_server_TS4-scwrl costs 90.343 real_cost = 347.188 SAM_T06_server_TS4 costs 90.303 real_cost = 344.459 SAM_T06_server_TS3-scwrl costs 80.293 real_cost = 332.295 SAM_T06_server_TS3 costs 80.297 real_cost = 328.356 SAM_T06_server_TS2-scwrl costs 90.759 real_cost = 132.650 SAM_T06_server_TS2 costs 90.842 real_cost = 111.468 SAM_T06_server_TS1-scwrl costs 83.618 real_cost = 198.868 SAM_T06_server_TS1 costs 83.618 real_cost = 199.228 SAM-T02_AL5-scwrl costs 127.208 real_cost = 414.491 SAM-T02_AL5 costs 127.181 real_cost = 481.166 SAM-T02_AL4-scwrl costs 125.571 real_cost = 404.948 SAM-T02_AL4 costs 125.604 real_cost = 464.002 SAM-T02_AL3-scwrl costs 101.092 real_cost = 412.572 SAM-T02_AL3 costs 101.025 real_cost = 445.657 SAM-T02_AL2-scwrl costs 125.257 real_cost = 406.820 SAM-T02_AL2 costs 125.290 real_cost = 465.098 SAM-T02_AL1-scwrl costs 108.286 real_cost = 395.046 SAM-T02_AL1 costs 108.357 real_cost = 435.358 ROKKY_TS5-scwrl costs 83.160 real_cost = 285.188 ROKKY_TS5 costs 83.160 real_cost = 389.300 ROKKY_TS4-scwrl costs 84.392 real_cost = 272.099 ROKKY_TS4 costs 84.392 real_cost = 378.990 ROKKY_TS3-scwrl costs 78.062 real_cost = 287.235 ROKKY_TS3 costs 78.062 real_cost = 393.518 ROKKY_TS2-scwrl costs 89.629 real_cost = 271.925 ROKKY_TS2 costs 89.629 real_cost = 370.210 ROKKY_TS1-scwrl costs 66.269 real_cost = 279.804 ROKKY_TS1 costs 66.269 real_cost = 377.935 ROBETTA_TS5-scwrl costs 64.795 real_cost = 188.389 ROBETTA_TS5 costs 64.795 real_cost = 190.380 ROBETTA_TS4-scwrl costs 51.244 real_cost = 87.364 ROBETTA_TS4 costs 51.244 real_cost = 90.720 ROBETTA_TS3-scwrl costs 55.345 real_cost = 229.041 ROBETTA_TS3 costs 55.345 real_cost = 230.025 ROBETTA_TS2-scwrl costs 61.694 real_cost = 199.053 ROBETTA_TS2 costs 61.694 real_cost = 202.806 ROBETTA_TS1-scwrl costs 53.460 real_cost = 140.140 ROBETTA_TS1 costs 53.460 real_cost = 142.676 RAPTOR_TS5-scwrl costs 91.363 real_cost = 277.506 RAPTOR_TS5 costs 91.363 real_cost = 281.133 RAPTOR_TS4-scwrl costs 66.714 real_cost = 123.554 RAPTOR_TS4 costs 66.714 real_cost = 133.135 RAPTOR_TS3-scwrl costs 80.467 real_cost = 293.794 RAPTOR_TS3 costs 80.467 real_cost = 296.867 RAPTOR_TS2-scwrl costs 61.043 real_cost = 35.933 RAPTOR_TS2 costs 61.043 real_cost = 40.594 RAPTOR_TS1-scwrl costs 57.580 real_cost = 37.716 RAPTOR_TS1 costs 57.580 real_cost = 41.788 RAPTORESS_TS5-scwrl costs 112.659 real_cost = 266.448 RAPTORESS_TS5 costs 112.659 real_cost = 274.893 RAPTORESS_TS4-scwrl costs 71.319 real_cost = 124.920 RAPTORESS_TS4 costs 71.319 real_cost = 138.395 RAPTORESS_TS3-scwrl costs 110.970 real_cost = 292.079 RAPTORESS_TS3 costs 110.970 real_cost = 297.452 RAPTORESS_TS2-scwrl costs 64.587 real_cost = 21.570 RAPTORESS_TS2 costs 64.587 real_cost = 23.794 RAPTORESS_TS1-scwrl costs 63.565 real_cost = 45.563 RAPTORESS_TS1 costs 63.565 real_cost = 52.557 RAPTOR-ACE_TS5-scwrl costs 68.341 real_cost = 114.169 RAPTOR-ACE_TS5 costs 68.341 real_cost = 116.187 RAPTOR-ACE_TS4-scwrl costs 77.361 real_cost = 298.797 RAPTOR-ACE_TS4 costs 77.361 real_cost = 294.004 RAPTOR-ACE_TS3-scwrl costs 103.277 real_cost = 282.007 RAPTOR-ACE_TS3 costs 103.277 real_cost = 284.588 RAPTOR-ACE_TS2-scwrl costs 54.878 real_cost = 44.968 RAPTOR-ACE_TS2 costs 54.878 real_cost = 46.738 RAPTOR-ACE_TS1-scwrl costs 63.407 real_cost = 29.099 RAPTOR-ACE_TS1 costs 63.407 real_cost = 27.646 Pmodeller6_TS5-scwrl costs 67.390 real_cost = 218.693 Pmodeller6_TS5 costs 67.390 real_cost = 214.577 Pmodeller6_TS4-scwrl costs 78.783 real_cost = 236.293 Pmodeller6_TS4 costs 78.783 real_cost = 236.293 Pmodeller6_TS3-scwrl costs 61.694 real_cost = 199.053 Pmodeller6_TS3 costs 61.694 real_cost = 202.806 Pmodeller6_TS2-scwrl costs 53.460 real_cost = 140.140 Pmodeller6_TS2 costs 53.460 real_cost = 142.676 Pmodeller6_TS1-scwrl costs 51.244 real_cost = 87.364 Pmodeller6_TS1 costs 51.244 real_cost = 90.720 Phyre-2_TS5-scwrl costs 88.724 real_cost = 268.490 Phyre-2_TS5 costs 88.724 real_cost = 271.961 Phyre-2_TS4-scwrl costs 84.250 real_cost = 255.223 Phyre-2_TS4 costs 84.250 real_cost = 258.526 Phyre-2_TS3-scwrl costs 88.872 real_cost = 290.183 Phyre-2_TS3 costs 88.872 real_cost = 282.415 Phyre-2_TS2-scwrl costs 88.653 real_cost = 279.294 Phyre-2_TS2 costs 88.653 real_cost = 285.229 Phyre-2_TS1-scwrl costs 100.615 real_cost = 303.607 Phyre-2_TS1 costs 100.629 real_cost = 298.184 Phyre-1_TS1-scwrl costs 91.808 real_cost = 372.090 Phyre-1_TS1 costs 91.809 real_cost = 369.043 Pcons6_TS5-scwrl costs 64.047 real_cost = 193.648 Pcons6_TS5 costs 64.047 real_cost = 191.752 Pcons6_TS4-scwrl costs 70.136 real_cost = 206.493 Pcons6_TS4 costs 70.136 real_cost = 205.543 Pcons6_TS3-scwrl costs 64.047 real_cost = 193.648 Pcons6_TS3 costs 64.047 real_cost = 191.752 Pcons6_TS2-scwrl costs 51.244 real_cost = 87.364 Pcons6_TS2 costs 51.244 real_cost = 90.720 Pcons6_TS1-scwrl costs 82.617 real_cost = 247.837 Pcons6_TS1 costs 82.617 real_cost = 247.837 PROTINFO_TS5-scwrl costs 91.909 real_cost = 165.093 PROTINFO_TS5 costs 91.909 real_cost = 165.749 PROTINFO_TS4-scwrl costs 73.985 real_cost = 219.746 PROTINFO_TS4 costs 73.985 real_cost = 222.423 PROTINFO_TS3-scwrl costs 77.301 real_cost = 216.800 PROTINFO_TS3 costs 77.301 real_cost = 221.277 PROTINFO_TS2-scwrl costs 87.666 real_cost = 194.886 PROTINFO_TS2 costs 87.666 real_cost = 194.584 PROTINFO_TS1-scwrl costs 81.066 real_cost = 221.744 PROTINFO_TS1 costs 81.066 real_cost = 223.723 PROTINFO-AB_TS5-scwrl costs 79.573 real_cost = 212.181 PROTINFO-AB_TS5 costs 79.573 real_cost = 221.635 PROTINFO-AB_TS4-scwrl costs 77.665 real_cost = 221.631 PROTINFO-AB_TS4 costs 77.665 real_cost = 226.926 PROTINFO-AB_TS3-scwrl costs 76.645 real_cost = 221.647 PROTINFO-AB_TS3 costs 76.645 real_cost = 230.784 PROTINFO-AB_TS2-scwrl costs 74.192 real_cost = 210.933 PROTINFO-AB_TS2 costs 74.192 real_cost = 224.862 PROTINFO-AB_TS1-scwrl costs 74.391 real_cost = 204.735 PROTINFO-AB_TS1 costs 74.391 real_cost = 208.907 POMYSL_TS5-scwrl costs 108.902 real_cost = 303.433 POMYSL_TS5 costs 108.902 real_cost = 313.270 POMYSL_TS4-scwrl costs 103.871 real_cost = 302.555 POMYSL_TS4 costs 103.871 real_cost = 321.383 POMYSL_TS3-scwrl costs 115.661 real_cost = 316.190 POMYSL_TS3 costs 115.661 real_cost = 324.594 POMYSL_TS2-scwrl costs 114.721 real_cost = 292.028 POMYSL_TS2 costs 114.721 real_cost = 295.927 POMYSL_TS1-scwrl costs 133.889 real_cost = 336.837 POMYSL_TS1 costs 133.889 real_cost = 336.582 NN_PUT_lab_TS1-scwrl costs 107.300 real_cost = 290.138 NN_PUT_lab_TS1 costs 107.300 real_cost = 289.334 MetaTasser_TS5-scwrl costs 103.867 real_cost = 203.551 MetaTasser_TS5 costs 103.867 real_cost = 188.772 MetaTasser_TS4-scwrl costs 82.187 real_cost = 188.364 MetaTasser_TS4 costs 82.187 real_cost = 192.097 MetaTasser_TS3-scwrl costs 94.882 real_cost = 192.977 MetaTasser_TS3 costs 94.882 real_cost = 183.489 MetaTasser_TS2-scwrl costs 120.622 real_cost = 192.853 MetaTasser_TS2 costs 120.622 real_cost = 181.643 MetaTasser_TS1-scwrl costs 101.484 real_cost = 156.117 MetaTasser_TS1 costs 101.484 real_cost = 163.442 Ma-OPUS-server_TS5-scwrl costs 98.061 real_cost = 346.311 Ma-OPUS-server_TS5 costs 98.061 real_cost = 346.523 Ma-OPUS-server_TS4-scwrl costs 82.047 real_cost = 191.459 Ma-OPUS-server_TS4 costs 82.047 real_cost = 180.882 Ma-OPUS-server_TS3-scwrl costs 94.954 real_cost = 282.592 Ma-OPUS-server_TS3 costs 94.954 real_cost = 286.617 Ma-OPUS-server_TS2-scwrl costs 87.742 real_cost = 235.014 Ma-OPUS-server_TS2 costs 87.742 real_cost = 243.670 Ma-OPUS-server_TS1-scwrl costs 85.507 real_cost = 274.087 Ma-OPUS-server_TS1 costs 85.507 real_cost = 279.083 Ma-OPUS-server2_TS5-scwrl costs 102.712 real_cost = 296.688 Ma-OPUS-server2_TS5 costs 102.712 real_cost = 299.912 Ma-OPUS-server2_TS4-scwrl costs 98.061 real_cost = 346.311 Ma-OPUS-server2_TS4 costs 98.061 real_cost = 346.523 Ma-OPUS-server2_TS3-scwrl costs 82.047 real_cost = 191.459 Ma-OPUS-server2_TS3 costs 82.047 real_cost = 180.882 Ma-OPUS-server2_TS2-scwrl costs 75.920 real_cost = 243.671 Ma-OPUS-server2_TS2 costs 75.920 real_cost = 247.116 Ma-OPUS-server2_TS1-scwrl costs 89.311 real_cost = 273.505 Ma-OPUS-server2_TS1 costs 89.311 real_cost = 277.798 MIG_FROST_AL1-scwrl costs 82.170 real_cost = 321.759 MIG_FROST_AL1 costs 82.170 real_cost = 321.342 LOOPP_TS5 costs 82.163 real_cost = 316.610 LOOPP_TS4-scwrl costs 93.722 real_cost = 305.519 LOOPP_TS4 costs 93.743 real_cost = 311.467 LOOPP_TS3-scwrl costs 65.846 real_cost = 177.208 LOOPP_TS3 costs 65.827 real_cost = 179.298 LOOPP_TS2-scwrl costs 65.963 real_cost = 171.998 LOOPP_TS2 costs 65.963 real_cost = 178.896 LOOPP_TS1-scwrl costs 73.253 real_cost = 144.866 LOOPP_TS1 costs 73.249 real_cost = 154.370 Huber-Torda-Server_TS5-scwrl costs 101.333 real_cost = 341.399 Huber-Torda-Server_TS5 costs 101.339 real_cost = 384.973 Huber-Torda-Server_TS4-scwrl costs 104.194 real_cost = 308.964 Huber-Torda-Server_TS4 costs 104.185 real_cost = 370.737 Huber-Torda-Server_TS3-scwrl costs 101.626 real_cost = 342.477 Huber-Torda-Server_TS3 costs 101.767 real_cost = 384.964 Huber-Torda-Server_TS2-scwrl costs 110.841 real_cost = 392.217 Huber-Torda-Server_TS2 costs 110.922 real_cost = 412.881 Huber-Torda-Server_TS1-scwrl costs 86.236 real_cost = 324.675 Huber-Torda-Server_TS1 costs 86.176 real_cost = 380.610 HHpred3_TS1-scwrl costs 82.168 real_cost = 303.666 HHpred3_TS1 costs 82.168 real_cost = 303.310 HHpred2_TS1-scwrl costs 62.779 real_cost = 58.425 HHpred2_TS1 costs 62.779 real_cost = 60.400 HHpred1_TS1-scwrl costs 62.779 real_cost = 58.425 HHpred1_TS1 costs 62.779 real_cost = 60.400 GeneSilicoMetaServer_TS5-scwrl costs 69.641 real_cost = 279.154 GeneSilicoMetaServer_TS5 costs 69.641 real_cost = 282.230 GeneSilicoMetaServer_TS4-scwrl costs 77.830 real_cost = 324.480 GeneSilicoMetaServer_TS4 costs 77.876 real_cost = 333.447 GeneSilicoMetaServer_TS3-scwrl costs 82.299 real_cost = 326.984 GeneSilicoMetaServer_TS3 costs 82.298 real_cost = 332.954 GeneSilicoMetaServer_TS2-scwrl costs 83.966 real_cost = 272.099 GeneSilicoMetaServer_TS2 costs 83.920 real_cost = 278.032 GeneSilicoMetaServer_TS1-scwrl costs 82.634 real_cost = 279.370 GeneSilicoMetaServer_TS1 costs 82.634 real_cost = 277.881 Frankenstein_TS5-scwrl costs 113.028 real_cost = 313.651 Frankenstein_TS5 costs 113.028 real_cost = 313.812 Frankenstein_TS4-scwrl costs 118.188 real_cost = 314.971 Frankenstein_TS4 costs 118.188 real_cost = 314.043 Frankenstein_TS3-scwrl costs 82.179 real_cost = 279.103 Frankenstein_TS3 costs 82.179 real_cost = 282.183 Frankenstein_TS2-scwrl costs 90.274 real_cost = 273.623 Frankenstein_TS2 costs 90.274 real_cost = 279.314 Frankenstein_TS1-scwrl costs 82.179 real_cost = 279.103 Frankenstein_TS1 costs 82.179 real_cost = 282.183 FUNCTION_TS5-scwrl costs 97.024 real_cost = 258.686 FUNCTION_TS5 costs 97.024 real_cost = 258.713 FUNCTION_TS4-scwrl costs 113.886 real_cost = 262.020 FUNCTION_TS4 costs 113.886 real_cost = 249.756 FUNCTION_TS3-scwrl costs 106.019 real_cost = 246.965 FUNCTION_TS3 costs 106.019 real_cost = 257.089 FUNCTION_TS2-scwrl costs 67.393 real_cost = 66.577 FUNCTION_TS2 costs 67.393 real_cost = 71.127 FUNCTION_TS1-scwrl costs 74.904 real_cost = 36.641 FUNCTION_TS1 costs 74.904 real_cost = 44.227 FUGUE_AL5-scwrl costs 83.557 real_cost = 318.632 FUGUE_AL5 costs 83.606 real_cost = 401.381 FUGUE_AL4-scwrl costs 107.689 real_cost = 308.745 FUGUE_AL4 costs 107.692 real_cost = 391.546 FUGUE_AL3-scwrl costs 114.843 real_cost = 406.078 FUGUE_AL3 costs 114.865 real_cost = 453.297 FUGUE_AL2-scwrl costs 109.062 real_cost = 534.074 FUGUE_AL2 costs 109.076 real_cost = 551.552 FUGUE_AL1-scwrl costs 108.509 real_cost = 302.473 FUGUE_AL1 costs 108.513 real_cost = 400.334 FUGMOD_TS5-scwrl costs 77.727 real_cost = 276.626 FUGMOD_TS5 costs 77.727 real_cost = 277.686 FUGMOD_TS4-scwrl costs 96.578 real_cost = 274.535 FUGMOD_TS4 costs 96.578 real_cost = 274.592 FUGMOD_TS3-scwrl costs 111.391 real_cost = 380.820 FUGMOD_TS3 costs 111.404 real_cost = 379.783 FUGMOD_TS2-scwrl costs 104.492 real_cost = 529.798 FUGMOD_TS2 costs 104.516 real_cost = 514.768 FUGMOD_TS1-scwrl costs 107.543 real_cost = 282.495 FUGMOD_TS1 costs 107.543 real_cost = 287.740 FPSOLVER-SERVER_TS5-scwrl costs 151.022 real_cost = 339.866 FPSOLVER-SERVER_TS5 costs 151.022 real_cost = 340.755 FPSOLVER-SERVER_TS4-scwrl costs 139.605 real_cost = 357.527 FPSOLVER-SERVER_TS4 costs 139.605 real_cost = 358.391 FPSOLVER-SERVER_TS3-scwrl costs 152.254 real_cost = 331.961 FPSOLVER-SERVER_TS3 costs 152.254 real_cost = 337.616 FPSOLVER-SERVER_TS2-scwrl costs 139.716 real_cost = 305.663 FPSOLVER-SERVER_TS2 costs 139.716 real_cost = 309.494 FPSOLVER-SERVER_TS1-scwrl costs 147.253 real_cost = 306.311 FPSOLVER-SERVER_TS1 costs 147.253 real_cost = 308.158 FORTE2_AL5-scwrl costs 116.474 real_cost = 358.241 FORTE2_AL5 costs 116.551 real_cost = 443.380 FORTE2_AL4-scwrl costs 126.305 real_cost = 349.020 FORTE2_AL4 costs 126.301 real_cost = 440.617 FORTE2_AL3-scwrl costs 126.165 real_cost = 373.896 FORTE2_AL3 costs 126.179 real_cost = 475.247 FORTE2_AL2-scwrl costs 81.642 real_cost = 152.348 FORTE2_AL2 costs 81.799 real_cost = 237.533 FORTE2_AL1-scwrl costs 117.950 real_cost = 293.308 FORTE2_AL1 costs 117.950 real_cost = 397.848 FORTE1_AL5-scwrl costs 126.305 real_cost = 349.020 FORTE1_AL5 costs 126.301 real_cost = 440.617 FORTE1_AL4-scwrl costs 126.165 real_cost = 373.896 FORTE1_AL4 costs 126.179 real_cost = 475.247 FORTE1_AL3-scwrl costs 81.642 real_cost = 152.348 FORTE1_AL3 costs 81.799 real_cost = 237.533 FORTE1_AL2-scwrl costs 132.359 real_cost = 379.407 FORTE1_AL2 costs 132.359 real_cost = 483.676 FORTE1_AL1-scwrl costs 117.950 real_cost = 293.308 FORTE1_AL1 costs 117.950 real_cost = 397.848 FOLDpro_TS5-scwrl costs 70.648 real_cost = 150.327 FOLDpro_TS5 costs 70.648 real_cost = 152.100 FOLDpro_TS4-scwrl costs 94.303 real_cost = 300.421 FOLDpro_TS4 costs 94.303 real_cost = 303.487 FOLDpro_TS3-scwrl costs 85.998 real_cost = 253.108 FOLDpro_TS3 costs 85.998 real_cost = 258.557 FOLDpro_TS2-scwrl costs 76.024 real_cost = 162.673 FOLDpro_TS2 costs 76.024 real_cost = 167.077 FOLDpro_TS1-scwrl costs 66.937 real_cost = 144.302 FOLDpro_TS1 costs 66.937 real_cost = 150.915 FAMS_TS5-scwrl costs 68.027 real_cost = 74.904 FAMS_TS5 costs 68.027 real_cost = 85.210 FAMS_TS4-scwrl costs 66.852 real_cost = 74.862 FAMS_TS4 costs 66.852 real_cost = 79.934 FAMS_TS3-scwrl costs 66.852 real_cost = 74.862 FAMS_TS3 costs 66.852 real_cost = 79.934 FAMS_TS2-scwrl costs 67.171 real_cost = 73.271 FAMS_TS2 costs 67.171 real_cost = 81.505 FAMS_TS1-scwrl costs 72.747 real_cost = 67.636 FAMS_TS1 costs 72.747 real_cost = 75.038 FAMSD_TS5-scwrl costs 98.181 real_cost = 279.261 FAMSD_TS5 costs 98.191 real_cost = 284.544 FAMSD_TS4-scwrl costs 70.727 real_cost = 61.291 FAMSD_TS4 costs 70.760 real_cost = 59.813 FAMSD_TS3-scwrl costs 74.014 real_cost = 54.881 FAMSD_TS3 costs 74.047 real_cost = 60.239 FAMSD_TS2-scwrl costs 66.852 real_cost = 74.862 FAMSD_TS2 costs 66.852 real_cost = 79.934 FAMSD_TS1-scwrl costs 67.171 real_cost = 73.271 FAMSD_TS1 costs 67.171 real_cost = 81.505 Distill_TS5-scwrl costs 224.621 real_cost = 383.897 Distill_TS4-scwrl costs 226.573 real_cost = 395.684 Distill_TS3-scwrl costs 225.665 real_cost = 384.278 Distill_TS2-scwrl costs 226.492 real_cost = 375.862 Distill_TS1-scwrl costs 224.281 real_cost = 391.259 CaspIta-FOX_TS5-scwrl costs 113.980 real_cost = 321.146 CaspIta-FOX_TS5 costs 113.959 real_cost = 317.037 CaspIta-FOX_TS4-scwrl costs 88.126 real_cost = 276.531 CaspIta-FOX_TS4 costs 88.160 real_cost = 264.521 CaspIta-FOX_TS3-scwrl costs 121.715 real_cost = 390.982 CaspIta-FOX_TS3 costs 122.029 real_cost = 386.799 CaspIta-FOX_TS2-scwrl costs 124.741 real_cost = 364.283 CaspIta-FOX_TS2 costs 124.860 real_cost = 357.637 CaspIta-FOX_TS1-scwrl costs 81.221 real_cost = 246.079 CaspIta-FOX_TS1 costs 81.250 real_cost = 243.054 CIRCLE_TS5-scwrl costs 73.101 real_cost = 65.133 CIRCLE_TS5 costs 73.101 real_cost = 73.780 CIRCLE_TS4-scwrl costs 68.591 real_cost = 70.346 CIRCLE_TS4 costs 68.591 real_cost = 76.813 CIRCLE_TS3-scwrl costs 68.027 real_cost = 74.904 CIRCLE_TS3 costs 68.027 real_cost = 85.210 CIRCLE_TS2-scwrl costs 66.852 real_cost = 74.862 CIRCLE_TS2 costs 66.852 real_cost = 79.934 CIRCLE_TS1-scwrl costs 67.171 real_cost = 73.271 CIRCLE_TS1 costs 67.171 real_cost = 81.505 Bilab-ENABLE_TS5-scwrl costs 66.364 real_cost = 264.232 Bilab-ENABLE_TS5 costs 66.364 real_cost = 264.236 Bilab-ENABLE_TS4-scwrl costs 60.983 real_cost = 242.619 Bilab-ENABLE_TS4 costs 60.983 real_cost = 242.621 Bilab-ENABLE_TS3-scwrl costs 53.080 real_cost = 176.082 Bilab-ENABLE_TS3 costs 53.080 real_cost = 176.082 Bilab-ENABLE_TS2-scwrl costs 55.205 real_cost = 202.148 Bilab-ENABLE_TS2 costs 55.205 real_cost = 202.148 Bilab-ENABLE_TS1-scwrl costs 50.634 real_cost = 230.655 Bilab-ENABLE_TS1 costs 50.634 real_cost = 230.660 BayesHH_TS1-scwrl costs 94.329 real_cost = 295.616 BayesHH_TS1 costs 94.329 real_cost = 307.279 ABIpro_TS5-scwrl costs 81.333 real_cost = 249.332 ABIpro_TS5 costs 81.333 real_cost = 250.442 ABIpro_TS4-scwrl costs 75.808 real_cost = 268.702 ABIpro_TS4 costs 75.808 real_cost = 268.702 ABIpro_TS3-scwrl costs 81.281 real_cost = 252.660 ABIpro_TS3 costs 81.281 real_cost = 252.660 ABIpro_TS2-scwrl costs 72.596 real_cost = 228.324 ABIpro_TS2 costs 72.596 real_cost = 229.066 ABIpro_TS1-scwrl costs 64.718 real_cost = 226.408 ABIpro_TS1 costs 64.718 real_cost = 226.408 3Dpro_TS5-scwrl costs 64.718 real_cost = 226.408 3Dpro_TS5 costs 64.718 real_cost = 226.408 3Dpro_TS4-scwrl costs 94.303 real_cost = 300.421 3Dpro_TS4 costs 94.303 real_cost = 303.487 3Dpro_TS3-scwrl costs 85.998 real_cost = 253.108 3Dpro_TS3 costs 85.998 real_cost = 258.557 3Dpro_TS2-scwrl costs 76.024 real_cost = 162.673 3Dpro_TS2 costs 76.024 real_cost = 167.077 3Dpro_TS1-scwrl costs 66.937 real_cost = 144.302 3Dpro_TS1 costs 66.937 real_cost = 150.915 3D-JIGSAW_TS5-scwrl costs 105.427 real_cost = 356.702 3D-JIGSAW_TS5 costs 105.414 real_cost = 357.431 3D-JIGSAW_TS4-scwrl costs 108.191 real_cost = 344.230 3D-JIGSAW_TS4 costs 108.129 real_cost = 344.112 3D-JIGSAW_TS3-scwrl costs 64.480 real_cost = 167.812 3D-JIGSAW_TS3 costs 64.513 real_cost = 176.542 3D-JIGSAW_TS2-scwrl costs 84.225 real_cost = 291.826 3D-JIGSAW_TS2 costs 84.234 real_cost = 294.282 3D-JIGSAW_TS1-scwrl costs 89.927 real_cost = 283.559 3D-JIGSAW_TS1 costs 89.919 real_cost = 274.661 3D-JIGSAW_RECOM_TS5-scwrl costs 65.078 real_cost = 167.783 3D-JIGSAW_RECOM_TS5 costs 65.111 real_cost = 176.355 3D-JIGSAW_RECOM_TS4-scwrl costs 64.480 real_cost = 167.749 3D-JIGSAW_RECOM_TS4 costs 64.513 real_cost = 176.504 3D-JIGSAW_RECOM_TS3-scwrl costs 65.078 real_cost = 164.498 3D-JIGSAW_RECOM_TS3 costs 65.111 real_cost = 174.591 3D-JIGSAW_RECOM_TS2-scwrl costs 64.480 real_cost = 167.501 3D-JIGSAW_RECOM_TS2 costs 64.513 real_cost = 176.366 3D-JIGSAW_RECOM_TS1-scwrl costs 65.078 real_cost = 167.745 3D-JIGSAW_RECOM_TS1 costs 65.111 real_cost = 176.353 3D-JIGSAW_POPULUS_TS5-scwrl costs 65.592 real_cost = 180.060 3D-JIGSAW_POPULUS_TS5 costs 65.592 real_cost = 180.060 3D-JIGSAW_POPULUS_TS4-scwrl costs 65.594 real_cost = 175.747 3D-JIGSAW_POPULUS_TS4 costs 65.627 real_cost = 173.863 3D-JIGSAW_POPULUS_TS3-scwrl costs 70.105 real_cost = 210.872 3D-JIGSAW_POPULUS_TS3 costs 70.105 real_cost = 210.872 3D-JIGSAW_POPULUS_TS2-scwrl costs 66.858 real_cost = 181.773 3D-JIGSAW_POPULUS_TS2 costs 66.891 real_cost = 179.836 3D-JIGSAW_POPULUS_TS1-scwrl costs 63.831 real_cost = 172.143 3D-JIGSAW_POPULUS_TS1 costs 63.831 real_cost = 172.143 T0383.try9-opt2.repack-nonPC.pdb.gz costs 84.443 real_cost = 254.359 T0383.try9-opt2.pdb.gz costs 84.443 real_cost = 256.651 T0383.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 77.136 real_cost = 250.436 T0383.try9-opt2.gromacs0.pdb.gz costs 77.136 real_cost = 254.462 T0383.try9-opt1.pdb.gz costs 85.204 real_cost = 259.264 T0383.try9-opt1-scwrl.pdb.gz costs 85.204 real_cost = 256.634 T0383.try8-opt2.repack-nonPC.pdb.gz costs 104.071 real_cost = 287.530 T0383.try8-opt2.pdb.gz costs 104.071 real_cost = 287.615 T0383.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 94.700 real_cost = 286.937 T0383.try8-opt2.gromacs0.pdb.gz costs 94.700 real_cost = 287.441 T0383.try8-opt1.pdb.gz costs 99.954 real_cost = 298.602 T0383.try8-opt1-scwrl.pdb.gz costs 99.954 real_cost = 295.647 T0383.try7-opt2.repack-nonPC.pdb.gz costs 84.540 real_cost = 231.589 T0383.try7-opt2.pdb.gz costs 84.540 real_cost = 233.470 T0383.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 75.409 real_cost = 230.279 T0383.try7-opt2.gromacs0.pdb.gz costs 75.409 real_cost = 233.670 T0383.try7-opt1.pdb.gz costs 81.023 real_cost = 228.714 T0383.try7-opt1-scwrl.pdb.gz costs 81.023 real_cost = 228.342 T0383.try6-opt2.repack-nonPC.pdb.gz costs 79.318 real_cost = 223.351 T0383.try6-opt2.pdb.gz costs 79.318 real_cost = 223.091 T0383.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.617 real_cost = 216.406 T0383.try6-opt2.gromacs0.pdb.gz costs 64.617 real_cost = 217.824 T0383.try6-opt1.pdb.gz costs 78.643 real_cost = 221.904 T0383.try6-opt1-scwrl.pdb.gz costs 78.643 real_cost = 221.908 T0383.try5-opt2.repack-nonPC.pdb.gz costs 64.740 real_cost = 225.947 T0383.try5-opt2.pdb.gz costs 64.740 real_cost = 226.176 T0383.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.332 real_cost = 223.002 T0383.try5-opt2.gromacs0.pdb.gz costs 54.332 real_cost = 226.899 T0383.try5-opt1.pdb.gz costs 58.649 real_cost = 227.404 T0383.try5-opt1-scwrl.pdb.gz costs 58.649 real_cost = 228.739 T0383.try4-opt2.repack-nonPC.pdb.gz costs 70.856 real_cost = 192.925 T0383.try4-opt2.pdb.gz costs 70.856 real_cost = 195.361 T0383.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 63.111 real_cost = 190.659 T0383.try4-opt2.gromacs0.pdb.gz costs 63.111 real_cost = 194.616 T0383.try4-opt1.pdb.gz costs 66.605 real_cost = 194.253 T0383.try4-opt1-scwrl.pdb.gz costs 66.605 real_cost = 193.866 T0383.try3-opt2.repack-nonPC.pdb.gz costs 66.216 real_cost = 217.693 T0383.try3-opt2.pdb.gz costs 66.216 real_cost = 215.635 T0383.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.220 real_cost = 218.388 T0383.try3-opt2.gromacs0.pdb.gz costs 62.220 real_cost = 216.839 T0383.try3-opt1.pdb.gz costs 64.903 real_cost = 217.671 T0383.try3-opt1-scwrl.pdb.gz costs 64.903 real_cost = 214.856 T0383.try28-opt2.repack-nonPC.pdb.gz costs 87.519 real_cost = 201.331 T0383.try28-opt2.pdb.gz costs 87.519 real_cost = 197.099 T0383.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 77.111 real_cost = 198.811 T0383.try28-opt2.gromacs0.pdb.gz costs 77.111 real_cost = 197.030 T0383.try28-opt1.pdb.gz costs 86.744 real_cost = 195.814 T0383.try28-opt1-scwrl.pdb.gz costs 86.744 real_cost = 199.654 T0383.try27-opt2.repack-nonPC.pdb.gz costs 98.216 real_cost = 196.673 T0383.try27-opt2.pdb.gz costs 98.216 real_cost = 196.581 T0383.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 78.653 real_cost = 198.487 T0383.try27-opt2.gromacs0.pdb.gz costs 78.653 real_cost = 199.349 T0383.try27-opt1.pdb.gz costs 98.834 real_cost = 194.899 T0383.try27-opt1-scwrl.pdb.gz costs 98.834 real_cost = 195.561 T0383.try26-opt2.repack-nonPC.pdb.gz costs 87.556 real_cost = 220.425 T0383.try26-opt2.pdb.gz costs 87.556 real_cost = 218.159 T0383.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 72.699 real_cost = 219.347 T0383.try26-opt2.gromacs0.pdb.gz costs 72.699 real_cost = 219.032 T0383.try26-opt1.pdb.gz costs 86.388 real_cost = 217.014 T0383.try26-opt1-scwrl.pdb.gz costs 86.388 real_cost = 218.553 T0383.try25-opt2.repack-nonPC.pdb.gz costs 86.370 real_cost = 220.820 T0383.try25-opt2.pdb.gz costs 86.370 real_cost = 219.423 T0383.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 72.353 real_cost = 220.673 T0383.try25-opt2.gromacs0.pdb.gz costs 72.353 real_cost = 218.886 T0383.try25-opt1.pdb.gz costs 82.688 real_cost = 218.495 T0383.try25-opt1-scwrl.pdb.gz costs 82.688 real_cost = 219.368 T0383.try24-opt2.repack-nonPC.pdb.gz costs 72.424 real_cost = 213.545 T0383.try24-opt2.pdb.gz costs 72.424 real_cost = 216.128 T0383.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.949 real_cost = 212.995 T0383.try24-opt2.gromacs0.pdb.gz costs 64.949 real_cost = 215.731 T0383.try24-opt1.pdb.gz costs 67.265 real_cost = 213.381 T0383.try24-opt1-scwrl.pdb.gz costs 67.265 real_cost = 218.909 T0383.try23-opt2.repack-nonPC.pdb.gz costs 97.694 real_cost = 195.855 T0383.try23-opt2.pdb.gz costs 97.694 real_cost = 195.164 T0383.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 79.822 real_cost = 196.833 T0383.try23-opt2.gromacs0.pdb.gz costs 79.822 real_cost = 196.681 T0383.try23-opt1.pdb.gz costs 90.116 real_cost = 195.573 T0383.try23-opt1-scwrl.pdb.gz costs 90.116 real_cost = 195.418 T0383.try22-opt2.repack-nonPC.pdb.gz costs 66.657 real_cost = 249.442 T0383.try22-opt2.pdb.gz costs 66.657 real_cost = 250.220 T0383.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 61.154 real_cost = 245.963 T0383.try22-opt2.gromacs0.pdb.gz costs 61.154 real_cost = 246.539 T0383.try22-opt1.pdb.gz costs 64.319 real_cost = 245.296 T0383.try22-opt1-scwrl.pdb.gz costs 64.319 real_cost = 243.837 T0383.try21-opt2.repack-nonPC.pdb.gz costs 62.720 real_cost = 221.959 T0383.try21-opt2.pdb.gz costs 62.720 real_cost = 219.271 T0383.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.124 real_cost = 218.963 T0383.try21-opt2.gromacs0.pdb.gz costs 57.124 real_cost = 217.225 T0383.try21-opt1.pdb.gz costs 66.830 real_cost = 224.377 T0383.try21-opt1-scwrl.pdb.gz costs 66.830 real_cost = 224.168 T0383.try20-opt2.repack-nonPC.pdb.gz costs 78.310 real_cost = 238.527 T0383.try20-opt2.pdb.gz costs 78.310 real_cost = 242.569 T0383.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.055 real_cost = 237.731 T0383.try20-opt2.gromacs0.pdb.gz costs 64.055 real_cost = 242.988 T0383.try20-opt1.pdb.gz costs 74.417 real_cost = 237.775 T0383.try20-opt1-scwrl.pdb.gz costs 74.417 real_cost = 236.543 T0383.try2-opt2.repack-nonPC.pdb.gz costs 81.348 real_cost = 226.962 T0383.try2-opt2.pdb.gz costs 81.348 real_cost = 224.843 T0383.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 69.612 real_cost = 225.002 T0383.try2-opt2.gromacs0.pdb.gz costs 69.612 real_cost = 224.129 T0383.try2-opt1.pdb.gz costs 78.036 real_cost = 221.807 T0383.try2-opt1-scwrl.pdb.gz costs 78.036 real_cost = 220.419 T0383.try19-opt2.repack-nonPC.pdb.gz costs 90.855 real_cost = 249.012 T0383.try19-opt2.pdb.gz costs 90.855 real_cost = 251.516 T0383.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 78.059 real_cost = 250.290 T0383.try19-opt2.gromacs0.pdb.gz costs 78.059 real_cost = 253.317 T0383.try19-opt1.pdb.gz costs 88.366 real_cost = 250.223 T0383.try19-opt1-scwrl.pdb.gz costs 88.366 real_cost = 248.810 T0383.try18-opt2.repack-nonPC.pdb.gz costs 87.360 real_cost = 267.575 T0383.try18-opt2.pdb.gz costs 87.360 real_cost = 266.309 T0383.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 72.967 real_cost = 268.061 T0383.try18-opt2.gromacs0.pdb.gz costs 72.967 real_cost = 269.354 T0383.try18-opt1.pdb.gz costs 83.447 real_cost = 270.211 T0383.try18-opt1-scwrl.pdb.gz costs 83.447 real_cost = 269.442 T0383.try17-opt2.repack-nonPC.pdb.gz costs 96.846 real_cost = 238.453 T0383.try17-opt2.pdb.gz costs 96.846 real_cost = 236.137 T0383.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 79.596 real_cost = 238.731 T0383.try17-opt2.gromacs0.pdb.gz costs 79.596 real_cost = 235.319 T0383.try17-opt1.pdb.gz costs 89.690 real_cost = 242.565 T0383.try17-opt1-scwrl.pdb.gz costs 89.690 real_cost = 241.153 T0383.try16-opt2.repack-nonPC.pdb.gz costs 96.280 real_cost = 265.107 T0383.try16-opt2.pdb.gz costs 96.280 real_cost = 265.340 T0383.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 89.586 real_cost = 269.681 T0383.try16-opt2.gromacs0.pdb.gz costs 89.586 real_cost = 271.628 T0383.try16-opt1.pdb.gz costs 97.260 real_cost = 264.626 T0383.try16-opt1-scwrl.pdb.gz costs 97.260 real_cost = 264.669 T0383.try15-opt2.repack-nonPC.pdb.gz costs 96.327 real_cost = 220.370 T0383.try15-opt2.pdb.gz costs 96.327 real_cost = 217.947 T0383.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 73.626 real_cost = 220.238 T0383.try15-opt2.gromacs0.pdb.gz costs 73.626 real_cost = 217.026 T0383.try15-opt1.pdb.gz costs 86.549 real_cost = 214.859 T0383.try15-opt1-scwrl.pdb.gz costs 86.549 real_cost = 214.463 T0383.try14-opt2.repack-nonPC.pdb.gz costs 91.012 real_cost = 248.109 T0383.try14-opt2.pdb.gz costs 91.012 real_cost = 245.985 T0383.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 75.053 real_cost = 244.949 T0383.try14-opt2.gromacs0.pdb.gz costs 75.053 real_cost = 245.431 T0383.try14-opt1.pdb.gz costs 83.282 real_cost = 244.637 T0383.try14-opt1-scwrl.pdb.gz costs 83.282 real_cost = 244.071 T0383.try13-opt2.repack-nonPC.pdb.gz costs 91.509 real_cost = 240.561 T0383.try13-opt2.pdb.gz costs 91.509 real_cost = 240.060 T0383.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 76.861 real_cost = 235.099 T0383.try13-opt2.gromacs0.pdb.gz costs 76.861 real_cost = 236.029 T0383.try13-opt1.pdb.gz costs 81.261 real_cost = 238.244 T0383.try13-opt1-scwrl.pdb.gz costs 81.261 real_cost = 238.407 T0383.try12-opt2.repack-nonPC.pdb.gz costs 98.588 real_cost = 258.112 T0383.try12-opt2.pdb.gz costs 98.588 real_cost = 257.311 T0383.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 83.424 real_cost = 253.628 T0383.try12-opt2.gromacs0.pdb.gz costs 83.424 real_cost = 252.886 T0383.try12-opt1.pdb.gz costs 92.946 real_cost = 256.212 T0383.try12-opt1-scwrl.pdb.gz costs 92.946 real_cost = 255.172 T0383.try11-opt2.repack-nonPC.pdb.gz costs 89.400 real_cost = 282.060 T0383.try11-opt2.pdb.gz costs 89.400 real_cost = 283.695 T0383.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 82.601 real_cost = 281.766 T0383.try11-opt2.gromacs0.pdb.gz costs 82.601 real_cost = 282.000 T0383.try11-opt1.pdb.gz costs 87.570 real_cost = 283.141 T0383.try11-opt1-scwrl.pdb.gz costs 87.570 real_cost = 282.879 T0383.try10-opt2.repack-nonPC.pdb.gz costs 91.221 real_cost = 202.078 T0383.try10-opt2.pdb.gz costs 91.221 real_cost = 203.301 T0383.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 73.269 real_cost = 211.884 T0383.try10-opt2.gromacs0.pdb.gz costs 73.269 real_cost = 212.124 T0383.try10-opt1.pdb.gz costs 86.485 real_cost = 199.501 T0383.try10-opt1-scwrl.pdb.gz costs 86.485 real_cost = 200.672 T0383.try1-opt2.repack-nonPC.pdb.gz costs 71.702 real_cost = 207.991 T0383.try1-opt2.pdb.gz costs 71.702 real_cost = 205.914 T0383.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.651 real_cost = 206.658 T0383.try1-opt2.gromacs0.pdb.gz costs 64.651 real_cost = 205.725 T0383.try1-opt1.pdb.gz costs 69.464 real_cost = 207.025 T0383.try1-opt1-scwrl.pdb.gz costs 69.464 real_cost = 205.680 ../model5.ts-submitted costs 62.720 real_cost = 219.283 ../model4.ts-submitted costs 71.702 real_cost = 205.914 ../model3.ts-submitted costs 54.332 real_cost = 223.430 ../model2.ts-submitted costs 95.388 real_cost = 218.221 ../model1.ts-submitted costs 84.990 real_cost = 197.070 align5 costs 129.197 real_cost = 407.500 align4 costs 105.065 real_cost = 404.870 align3 costs 88.829 real_cost = 332.668 align2 costs 78.529 real_cost = 336.210 align1 costs 90.036 real_cost = 126.962 T0383.try1-opt2.pdb costs 71.702 real_cost = 205.914 model5-scwrl costs 62.720 real_cost = 220.905 model5.ts-submitted costs 62.720 real_cost = 219.283 model4-scwrl costs 71.702 real_cost = 207.064 model4.ts-submitted costs 71.702 real_cost = 205.914 model3-scwrl costs 54.332 real_cost = 226.708 model3.ts-submitted costs 54.332 real_cost = 223.430 model2-scwrl costs 95.388 real_cost = 218.283 model2.ts-submitted costs 95.388 real_cost = 218.221 model1-scwrl costs 84.830 real_cost = 201.050 model1.ts-submitted costs 84.990 real_cost = 197.070 2hngA costs 46.711 real_cost = -891.200 # command:CPU_time= 960.712 sec, elapsed time= 1275.973 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/T0383'