make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0302' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0302.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/T0302.} ;\ 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/T0302/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2jm5A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183530972 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.964 sec, elapsed time= 7.009 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 7.050 sec, elapsed time= 7.111 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0302 numbered 1 through 132 Created new target T0302 from T0302.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2jm5A expands to /projects/compbio/data/pdb/2jm5.pdb.gz 2jm5A: Read 134 residues and 1104 atoms. # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 10.005 sec, elapsed time= 10.822 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 98 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -77.841 # GDT_score(maxd=8.000,maxw=2.900)= -83.267 # GDT_score(maxd=8.000,maxw=3.200)= -78.811 # GDT_score(maxd=8.000,maxw=3.500)= -74.386 # GDT_score(maxd=10.000,maxw=3.800)= -76.845 # GDT_score(maxd=10.000,maxw=4.000)= -74.107 # GDT_score(maxd=10.000,maxw=4.200)= -71.501 # GDT_score(maxd=12.000,maxw=4.300)= -75.230 # GDT_score(maxd=12.000,maxw=4.500)= -72.722 # GDT_score(maxd=12.000,maxw=4.700)= -70.279 # GDT_score(maxd=14.000,maxw=5.200)= -68.439 # GDT_score(maxd=14.000,maxw=5.500)= -65.223 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0302.model1-real.pdb for output Error: Couldn't open file T0302.model1-real.pdb for output superimposing iter= 0 total_weight= 1614 rmsd (weighted)= 2.51119 (unweighted)= 2.70316 superimposing iter= 1 total_weight= 3560.07 rmsd (weighted)= 1.35265 (unweighted)= 2.70681 superimposing iter= 2 total_weight= 1386.41 rmsd (weighted)= 1.19171 (unweighted)= 2.71088 superimposing iter= 3 total_weight= 1141.54 rmsd (weighted)= 1.159 (unweighted)= 2.71435 superimposing iter= 4 total_weight= 1101.19 rmsd (weighted)= 1.14789 (unweighted)= 2.71698 superimposing iter= 5 total_weight= 1089.98 rmsd (weighted)= 1.14273 (unweighted)= 2.71908 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N SER A 1 135.162 5.446 8.170 1.00 0.00 ATOM 2 CA SER A 1 136.340 6.129 8.778 1.00 0.00 ATOM 3 CB SER A 1 137.386 5.103 9.221 1.00 0.00 ATOM 4 OG SER A 1 137.982 4.468 8.104 1.00 0.00 ATOM 5 O SER A 1 136.723 7.019 6.575 1.00 0.00 ATOM 6 C SER A 1 136.993 7.084 7.777 1.00 0.00 ATOM 7 N MET A 2 137.861 7.959 8.276 1.00 0.00 ATOM 8 CA MET A 2 138.559 8.916 7.418 1.00 0.00 ATOM 9 CB MET A 2 139.400 9.877 8.262 1.00 0.00 ATOM 10 CG MET A 2 138.581 10.857 9.088 1.00 0.00 ATOM 11 SD MET A 2 139.608 11.964 10.073 1.00 0.00 ATOM 12 CE MET A 2 140.364 12.957 8.788 1.00 0.00 ATOM 13 O MET A 2 139.951 7.054 6.836 1.00 0.00 ATOM 14 C MET A 2 139.461 8.131 6.478 1.00 0.00 ATOM 15 N VAL A 3 139.609 8.615 5.247 1.00 0.00 ATOM 16 CA VAL A 3 140.457 7.947 4.267 1.00 0.00 ATOM 17 CB VAL A 3 139.614 7.192 3.213 1.00 0.00 ATOM 18 CG1 VAL A 3 138.685 6.159 3.911 1.00 0.00 ATOM 19 CG2 VAL A 3 138.808 8.143 2.363 1.00 0.00 ATOM 20 O VAL A 3 141.218 10.164 3.631 1.00 0.00 ATOM 21 C VAL A 3 141.390 8.933 3.565 1.00 0.00 ATOM 22 N SER A 4 142.383 8.352 2.915 1.00 0.00 ATOM 23 CA SER A 4 143.354 9.122 2.145 1.00 0.00 ATOM 24 CB SER A 4 144.529 8.233 1.719 1.00 0.00 ATOM 25 OG SER A 4 144.131 7.292 0.736 1.00 0.00 ATOM 26 O SER A 4 141.645 9.302 0.443 1.00 0.00 ATOM 27 C SER A 4 142.676 9.743 0.934 1.00 0.00 ATOM 28 N PRO A 5 143.285 10.787 0.411 1.00 0.00 ATOM 29 CA PRO A 5 142.811 11.375 -0.842 1.00 0.00 ATOM 30 CB PRO A 5 143.849 12.453 -1.161 1.00 0.00 ATOM 31 CG PRO A 5 144.360 12.885 0.174 1.00 0.00 ATOM 32 CD PRO A 5 144.462 11.638 1.005 1.00 0.00 ATOM 33 O PRO A 5 141.754 10.376 -2.728 1.00 0.00 ATOM 34 C PRO A 5 142.735 10.356 -1.963 1.00 0.00 ATOM 35 N GLU A 6 143.714 9.491 -2.128 1.00 0.00 ATOM 36 CA GLU A 6 143.693 8.511 -3.205 1.00 0.00 ATOM 37 CB GLU A 6 144.977 7.678 -3.198 1.00 0.00 ATOM 38 CG GLU A 6 146.214 8.442 -3.637 1.00 0.00 ATOM 39 CD GLU A 6 147.483 7.624 -3.501 1.00 0.00 ATOM 40 OE1 GLU A 6 147.405 6.487 -2.994 1.00 0.00 ATOM 41 OE2 GLU A 6 148.557 8.123 -3.900 1.00 0.00 ATOM 42 O GLU A 6 141.827 7.269 -4.026 1.00 0.00 ATOM 43 C GLU A 6 142.501 7.563 -3.044 1.00 0.00 ATOM 44 N GLU A 7 142.277 7.080 -1.811 1.00 0.00 ATOM 45 CA GLU A 7 141.150 6.179 -1.570 1.00 0.00 ATOM 46 CB GLU A 7 141.129 5.637 -0.130 1.00 0.00 ATOM 47 CG GLU A 7 142.324 4.719 0.120 1.00 0.00 ATOM 48 CD GLU A 7 142.599 4.376 1.565 1.00 0.00 ATOM 49 OE1 GLU A 7 142.493 5.147 2.546 1.00 0.00 ATOM 50 OE2 GLU A 7 142.992 3.191 1.762 1.00 0.00 ATOM 51 O GLU A 7 138.924 6.290 -2.475 1.00 0.00 ATOM 52 C GLU A 7 139.815 6.867 -1.840 1.00 0.00 ATOM 53 N ALA A 8 139.686 8.116 -1.409 1.00 0.00 ATOM 54 CA ALA A 8 138.442 8.848 -1.625 1.00 0.00 ATOM 55 CB ALA A 8 138.505 10.212 -0.954 1.00 0.00 ATOM 56 O ALA A 8 137.084 8.820 -3.606 1.00 0.00 ATOM 57 C ALA A 8 138.186 9.062 -3.118 1.00 0.00 ATOM 58 N VAL A 9 139.219 9.461 -3.854 1.00 0.00 ATOM 59 CA VAL A 9 139.077 9.674 -5.289 1.00 0.00 ATOM 60 CB VAL A 9 140.389 10.181 -5.916 1.00 0.00 ATOM 61 CG1 VAL A 9 140.280 10.204 -7.433 1.00 0.00 ATOM 62 CG2 VAL A 9 140.699 11.592 -5.436 1.00 0.00 ATOM 63 O VAL A 9 137.817 8.346 -6.874 1.00 0.00 ATOM 64 C VAL A 9 138.691 8.362 -6.013 1.00 0.00 ATOM 65 N LYS A 10 139.346 7.261 -5.655 1.00 0.00 ATOM 66 CA LYS A 10 139.050 5.975 -6.249 1.00 0.00 ATOM 67 CB LYS A 10 139.957 4.891 -5.663 1.00 0.00 ATOM 68 CG LYS A 10 141.411 5.004 -6.087 1.00 0.00 ATOM 69 CD LYS A 10 142.255 3.902 -5.464 1.00 0.00 ATOM 70 CE LYS A 10 143.711 4.017 -5.885 1.00 0.00 ATOM 71 NZ LYS A 10 144.555 2.963 -5.257 1.00 0.00 ATOM 72 O LYS A 10 137.039 4.786 -6.777 1.00 0.00 ATOM 73 C LYS A 10 137.604 5.558 -6.000 1.00 0.00 ATOM 74 N TRP A 11 137.011 6.033 -4.878 1.00 0.00 ATOM 75 CA TRP A 11 135.628 5.661 -4.608 1.00 0.00 ATOM 76 CB TRP A 11 135.152 6.287 -3.295 1.00 0.00 ATOM 77 CG TRP A 11 135.789 5.689 -2.079 1.00 0.00 ATOM 78 CD1 TRP A 11 136.577 4.576 -2.030 1.00 0.00 ATOM 79 CD2 TRP A 11 135.693 6.174 -0.733 1.00 0.00 ATOM 80 CE2 TRP A 11 136.449 5.303 0.076 1.00 0.00 ATOM 81 CE3 TRP A 11 135.045 7.257 -0.136 1.00 0.00 ATOM 82 NE1 TRP A 11 136.979 4.335 -0.738 1.00 0.00 ATOM 83 CZ2 TRP A 11 136.573 5.484 1.454 1.00 0.00 ATOM 84 CZ3 TRP A 11 135.167 7.432 1.229 1.00 0.00 ATOM 85 CH2 TRP A 11 135.925 6.552 2.012 1.00 0.00 ATOM 86 O TRP A 11 133.743 5.533 -6.074 1.00 0.00 ATOM 87 C TRP A 11 134.742 6.165 -5.742 1.00 0.00 ATOM 88 N GLY A 12 135.136 7.275 -6.357 1.00 0.00 ATOM 89 CA GLY A 12 134.371 7.818 -7.466 1.00 0.00 ATOM 90 O GLY A 12 133.862 7.468 -9.771 1.00 0.00 ATOM 91 C GLY A 12 134.535 7.110 -8.800 1.00 0.00 ATOM 92 N GLU A 13 135.413 6.105 -8.852 1.00 0.00 ATOM 93 CA GLU A 13 135.642 5.374 -10.101 1.00 0.00 ATOM 94 CB GLU A 13 136.787 4.374 -9.932 1.00 0.00 ATOM 95 CG GLU A 13 138.152 5.016 -9.759 1.00 0.00 ATOM 96 CD GLU A 13 138.561 5.854 -10.954 1.00 0.00 ATOM 97 OE1 GLU A 13 138.546 5.321 -12.085 1.00 0.00 ATOM 98 OE2 GLU A 13 138.895 7.041 -10.763 1.00 0.00 ATOM 99 O GLU A 13 133.835 4.810 -11.582 1.00 0.00 ATOM 100 C GLU A 13 134.371 4.625 -10.486 1.00 0.00 ATOM 101 N SER A 14 133.791 3.706 -9.529 1.00 0.00 ATOM 102 CA SER A 14 132.513 3.061 -9.827 1.00 0.00 ATOM 103 CB SER A 14 132.686 1.789 -10.643 1.00 0.00 ATOM 104 OG SER A 14 133.339 0.747 -9.881 1.00 0.00 ATOM 105 O SER A 14 132.522 2.607 -7.473 1.00 0.00 ATOM 106 C SER A 14 131.877 2.608 -8.523 1.00 0.00 ATOM 107 N PHE A 15 130.667 2.154 -8.590 1.00 0.00 ATOM 108 CA PHE A 15 129.959 1.694 -7.407 1.00 0.00 ATOM 109 CB PHE A 15 128.395 1.636 -7.836 1.00 0.00 ATOM 110 CG PHE A 15 127.485 1.240 -6.700 1.00 0.00 ATOM 111 CD1 PHE A 15 126.915 2.212 -5.898 1.00 0.00 ATOM 112 CD2 PHE A 15 127.199 -0.088 -6.451 1.00 0.00 ATOM 113 CE1 PHE A 15 126.077 1.869 -4.850 1.00 0.00 ATOM 114 CE2 PHE A 15 126.367 -0.449 -5.397 1.00 0.00 ATOM 115 CZ PHE A 15 125.812 0.533 -4.599 1.00 0.00 ATOM 116 O PHE A 15 130.458 0.248 -5.569 1.00 0.00 ATOM 117 C PHE A 15 130.505 0.415 -6.786 1.00 0.00 ATOM 118 N ASP A 16 131.015 -0.487 -7.605 1.00 0.00 ATOM 119 CA ASP A 16 131.569 -1.735 -7.094 1.00 0.00 ATOM 120 CB ASP A 16 131.969 -2.681 -8.227 1.00 0.00 ATOM 121 CG ASP A 16 132.422 -4.036 -7.723 1.00 0.00 ATOM 122 OD1 ASP A 16 131.605 -4.737 -7.087 1.00 0.00 ATOM 123 OD2 ASP A 16 133.592 -4.399 -7.963 1.00 0.00 ATOM 124 O ASP A 16 132.950 -2.242 -5.194 1.00 0.00 ATOM 125 C ASP A 16 132.797 -1.521 -6.189 1.00 0.00 ATOM 126 N LYS A 17 133.640 -0.552 -6.550 1.00 0.00 ATOM 127 CA LYS A 17 134.834 -0.260 -5.748 1.00 0.00 ATOM 128 CB LYS A 17 135.654 0.842 -6.471 1.00 0.00 ATOM 129 CG LYS A 17 136.348 0.243 -7.710 1.00 0.00 ATOM 130 CD LYS A 17 137.165 1.346 -8.434 1.00 0.00 ATOM 131 CE LYS A 17 138.100 0.689 -9.460 1.00 0.00 ATOM 132 NZ LYS A 17 138.794 1.789 -10.212 1.00 0.00 ATOM 133 O LYS A 17 135.057 -0.136 -3.368 1.00 0.00 ATOM 134 C LYS A 17 134.442 0.235 -4.360 1.00 0.00 ATOM 135 N LEU A 18 133.396 1.054 -4.293 1.00 0.00 ATOM 136 CA LEU A 18 132.929 1.571 -3.011 1.00 0.00 ATOM 137 CB LEU A 18 131.853 2.639 -3.225 1.00 0.00 ATOM 138 CG LEU A 18 131.258 3.263 -1.961 1.00 0.00 ATOM 139 CD1 LEU A 18 132.336 3.968 -1.151 1.00 0.00 ATOM 140 CD2 LEU A 18 130.188 4.283 -2.319 1.00 0.00 ATOM 141 O LEU A 18 132.771 0.196 -1.024 1.00 0.00 ATOM 142 C LEU A 18 132.334 0.442 -2.158 1.00 0.00 ATOM 143 N LEU A 19 131.372 -0.282 -2.719 1.00 0.00 ATOM 144 CA LEU A 19 130.696 -1.339 -1.964 1.00 0.00 ATOM 145 CB LEU A 19 129.403 -1.789 -2.746 1.00 0.00 ATOM 146 CG LEU A 19 128.609 -2.889 -2.030 1.00 0.00 ATOM 147 CD1 LEU A 19 128.091 -2.454 -0.669 1.00 0.00 ATOM 148 CD2 LEU A 19 127.435 -3.341 -2.890 1.00 0.00 ATOM 149 O LEU A 19 131.324 -3.210 -0.584 1.00 0.00 ATOM 150 C LEU A 19 131.567 -2.553 -1.599 1.00 0.00 ATOM 151 N SER A 20 132.589 -2.821 -2.411 1.00 0.00 ATOM 152 CA SER A 20 133.501 -3.933 -2.174 1.00 0.00 ATOM 153 CB SER A 20 134.118 -4.406 -3.493 1.00 0.00 ATOM 154 OG SER A 20 134.917 -3.392 -4.074 1.00 0.00 ATOM 155 O SER A 20 135.477 -4.381 -0.897 1.00 0.00 ATOM 156 C SER A 20 134.610 -3.566 -1.186 1.00 0.00 ATOM 157 N HIS A 21 134.618 -2.319 -0.730 1.00 0.00 ATOM 158 CA HIS A 21 135.614 -1.862 0.234 1.00 0.00 ATOM 159 CB HIS A 21 136.122 -0.481 -0.183 1.00 0.00 ATOM 160 CG HIS A 21 137.286 0.004 0.623 1.00 0.00 ATOM 161 CD2 HIS A 21 138.735 -0.030 0.482 1.00 0.00 ATOM 162 ND1 HIS A 21 137.139 0.668 1.823 1.00 0.00 ATOM 163 CE1 HIS A 21 138.354 0.976 2.306 1.00 0.00 ATOM 164 NE2 HIS A 21 139.318 0.559 1.507 1.00 0.00 ATOM 165 O HIS A 21 133.729 -1.328 1.701 1.00 0.00 ATOM 166 C HIS A 21 134.851 -1.852 1.558 1.00 0.00 ATOM 167 N ARG A 22 135.515 -2.362 2.647 1.00 0.00 ATOM 168 CA ARG A 22 134.831 -2.366 3.941 1.00 0.00 ATOM 169 CB ARG A 22 135.610 -3.047 5.035 1.00 0.00 ATOM 170 CG ARG A 22 135.742 -4.542 4.824 1.00 0.00 ATOM 171 CD ARG A 22 136.160 -5.321 6.082 1.00 0.00 ATOM 172 NE ARG A 22 137.494 -4.917 6.564 1.00 0.00 ATOM 173 CZ ARG A 22 138.626 -5.426 6.126 1.00 0.00 ATOM 174 NH1 ARG A 22 138.638 -6.362 5.215 1.00 0.00 ATOM 175 NH2 ARG A 22 139.790 -4.999 6.626 1.00 0.00 ATOM 176 O ARG A 22 133.468 -0.603 4.838 1.00 0.00 ATOM 177 C ARG A 22 134.580 -0.942 4.430 1.00 0.00 ATOM 178 N ASP A 23 135.615 -0.102 4.396 1.00 0.00 ATOM 179 CA ASP A 23 135.466 1.278 4.848 1.00 0.00 ATOM 180 CB ASP A 23 136.817 1.995 4.881 1.00 0.00 ATOM 181 CG ASP A 23 137.701 1.520 6.017 1.00 0.00 ATOM 182 OD1 ASP A 23 137.190 0.823 6.916 1.00 0.00 ATOM 183 OD2 ASP A 23 138.907 1.846 6.008 1.00 0.00 ATOM 184 O ASP A 23 133.776 2.932 4.405 1.00 0.00 ATOM 185 C ASP A 23 134.488 2.035 3.945 1.00 0.00 ATOM 186 N GLY A 24 134.465 1.662 2.669 1.00 0.00 ATOM 187 CA GLY A 24 133.550 2.304 1.738 1.00 0.00 ATOM 188 O GLY A 24 131.291 2.966 2.214 1.00 0.00 ATOM 189 C GLY A 24 132.103 2.044 2.135 1.00 0.00 ATOM 190 N LEU A 25 131.776 0.775 2.478 1.00 0.00 ATOM 191 CA LEU A 25 130.432 0.395 2.901 1.00 0.00 ATOM 192 CB LEU A 25 130.356 -1.143 2.962 1.00 0.00 ATOM 193 CG LEU A 25 128.979 -1.729 3.299 1.00 0.00 ATOM 194 CD1 LEU A 25 127.952 -1.318 2.263 1.00 0.00 ATOM 195 CD2 LEU A 25 129.089 -3.242 3.421 1.00 0.00 ATOM 196 O LEU A 25 128.916 1.435 4.441 1.00 0.00 ATOM 197 C LEU A 25 130.065 1.037 4.232 1.00 0.00 ATOM 198 N GLU A 26 131.041 1.147 5.122 1.00 0.00 ATOM 199 CA GLU A 26 130.789 1.756 6.417 1.00 0.00 ATOM 200 CB GLU A 26 132.066 1.688 7.260 1.00 0.00 ATOM 201 CG GLU A 26 132.404 0.293 7.760 1.00 0.00 ATOM 202 CD GLU A 26 133.736 0.242 8.482 1.00 0.00 ATOM 203 OE1 GLU A 26 134.428 1.280 8.527 1.00 0.00 ATOM 204 OE2 GLU A 26 134.087 -0.838 9.004 1.00 0.00 ATOM 205 O GLU A 26 129.416 3.718 6.771 1.00 0.00 ATOM 206 C GLU A 26 130.404 3.231 6.211 1.00 0.00 ATOM 207 N ALA A 27 131.186 3.936 5.409 1.00 0.00 ATOM 208 CA ALA A 27 130.889 5.331 5.129 1.00 0.00 ATOM 209 CB ALA A 27 131.989 5.935 4.268 1.00 0.00 ATOM 210 O ALA A 27 128.755 6.348 4.721 1.00 0.00 ATOM 211 C ALA A 27 129.550 5.462 4.412 1.00 0.00 ATOM 212 N PHE A 28 129.326 4.602 3.444 1.00 0.00 ATOM 213 CA PHE A 28 128.075 4.637 2.697 1.00 0.00 ATOM 214 CB PHE A 28 128.253 3.704 1.486 1.00 0.00 ATOM 215 CG PHE A 28 127.105 3.713 0.536 1.00 0.00 ATOM 216 CD1 PHE A 28 127.103 4.683 -0.460 1.00 0.00 ATOM 217 CD2 PHE A 28 126.065 2.805 0.646 1.00 0.00 ATOM 218 CE1 PHE A 28 126.080 4.774 -1.386 1.00 0.00 ATOM 219 CE2 PHE A 28 125.003 2.874 -0.282 1.00 0.00 ATOM 220 CZ PHE A 28 125.045 3.871 -1.250 1.00 0.00 ATOM 221 O PHE A 28 125.797 4.913 3.414 1.00 0.00 ATOM 222 C PHE A 28 126.883 4.380 3.628 1.00 0.00 ATOM 223 N THR A 29 127.087 3.528 4.630 1.00 0.00 ATOM 224 CA THR A 29 126.032 3.206 5.593 1.00 0.00 ATOM 225 CB THR A 29 126.501 2.153 6.614 1.00 0.00 ATOM 226 CG2 THR A 29 125.407 1.873 7.630 1.00 0.00 ATOM 227 OG1 THR A 29 126.826 0.934 5.932 1.00 0.00 ATOM 228 O THR A 29 124.387 4.602 6.636 1.00 0.00 ATOM 229 C THR A 29 125.584 4.435 6.387 1.00 0.00 ATOM 230 N ARG A 30 126.523 5.291 6.804 1.00 0.00 ATOM 231 CA ARG A 30 126.156 6.504 7.556 1.00 0.00 ATOM 232 CB ARG A 30 127.383 7.218 8.084 1.00 0.00 ATOM 233 CG ARG A 30 128.254 6.317 8.999 1.00 0.00 ATOM 234 CD ARG A 30 129.187 7.164 9.869 1.00 0.00 ATOM 235 NE ARG A 30 130.203 7.925 9.142 1.00 0.00 ATOM 236 CZ ARG A 30 131.333 7.416 8.662 1.00 0.00 ATOM 237 NH1 ARG A 30 131.594 6.126 8.869 1.00 0.00 ATOM 238 NH2 ARG A 30 132.270 8.081 7.978 1.00 0.00 ATOM 239 O ARG A 30 124.258 7.935 7.167 1.00 0.00 ATOM 240 C ARG A 30 125.259 7.392 6.704 1.00 0.00 ATOM 241 N PHE A 31 125.642 7.546 5.449 1.00 0.00 ATOM 242 CA PHE A 31 124.883 8.359 4.520 1.00 0.00 ATOM 243 CB PHE A 31 125.717 8.566 3.203 1.00 0.00 ATOM 244 CG PHE A 31 124.953 9.360 2.170 1.00 0.00 ATOM 245 CD1 PHE A 31 124.955 10.749 2.275 1.00 0.00 ATOM 246 CD2 PHE A 31 124.237 8.764 1.155 1.00 0.00 ATOM 247 CE1 PHE A 31 124.238 11.505 1.369 1.00 0.00 ATOM 248 CE2 PHE A 31 123.522 9.519 0.240 1.00 0.00 ATOM 249 CZ PHE A 31 123.521 10.902 0.349 1.00 0.00 ATOM 250 O PHE A 31 122.499 8.479 4.188 1.00 0.00 ATOM 251 C PHE A 31 123.492 7.754 4.282 1.00 0.00 ATOM 252 N LEU A 32 123.422 6.438 4.137 1.00 0.00 ATOM 253 CA LEU A 32 122.124 5.785 3.913 1.00 0.00 ATOM 254 CB LEU A 32 122.311 4.326 3.637 1.00 0.00 ATOM 255 CG LEU A 32 122.824 4.002 2.268 1.00 0.00 ATOM 256 CD1 LEU A 32 123.142 2.516 2.236 1.00 0.00 ATOM 257 CD2 LEU A 32 121.809 4.241 1.191 1.00 0.00 ATOM 258 O LEU A 32 119.998 6.289 4.886 1.00 0.00 ATOM 259 C LEU A 32 121.183 6.021 5.084 1.00 0.00 ATOM 260 N LYS A 33 121.706 5.929 6.299 1.00 0.00 ATOM 261 CA LYS A 33 120.891 6.159 7.484 1.00 0.00 ATOM 262 CB LYS A 33 121.708 5.935 8.758 1.00 0.00 ATOM 263 CG LYS A 33 120.904 6.065 10.040 1.00 0.00 ATOM 264 CD LYS A 33 121.753 5.739 11.258 1.00 0.00 ATOM 265 CE LYS A 33 120.957 5.894 12.544 1.00 0.00 ATOM 266 NZ LYS A 33 121.783 5.599 13.747 1.00 0.00 ATOM 267 O LYS A 33 119.231 7.870 7.808 1.00 0.00 ATOM 268 C LYS A 33 120.383 7.596 7.457 1.00 0.00 ATOM 269 N THR A 34 121.259 8.500 7.049 1.00 0.00 ATOM 270 CA THR A 34 120.893 9.909 6.966 1.00 0.00 ATOM 271 CB THR A 34 122.006 10.763 6.380 1.00 0.00 ATOM 272 CG2 THR A 34 121.641 12.243 6.410 1.00 0.00 ATOM 273 OG1 THR A 34 123.131 10.695 7.263 1.00 0.00 ATOM 274 O THR A 34 118.867 10.960 6.193 1.00 0.00 ATOM 275 C THR A 34 119.747 10.120 5.975 1.00 0.00 ATOM 276 N GLU A 35 119.752 9.329 4.910 1.00 0.00 ATOM 277 CA GLU A 35 118.728 9.393 3.873 1.00 0.00 ATOM 278 CB GLU A 35 119.584 9.221 2.431 1.00 0.00 ATOM 279 CG GLU A 35 118.954 9.675 1.127 1.00 0.00 ATOM 280 CD GLU A 35 119.129 11.158 0.920 1.00 0.00 ATOM 281 OE1 GLU A 35 120.293 11.621 0.660 1.00 0.00 ATOM 282 OE2 GLU A 35 118.123 11.876 1.053 1.00 0.00 ATOM 283 O GLU A 35 116.750 8.183 3.280 1.00 0.00 ATOM 284 C GLU A 35 117.572 8.426 4.151 1.00 0.00 ATOM 285 N PHE A 36 117.559 7.822 5.336 1.00 0.00 ATOM 286 CA PHE A 36 116.496 6.895 5.738 1.00 0.00 ATOM 287 CB PHE A 36 115.115 7.533 5.576 1.00 0.00 ATOM 288 CG PHE A 36 114.924 8.777 6.391 1.00 0.00 ATOM 289 CD1 PHE A 36 115.027 10.028 5.805 1.00 0.00 ATOM 290 CD2 PHE A 36 114.642 8.703 7.743 1.00 0.00 ATOM 291 CE1 PHE A 36 114.848 11.177 6.556 1.00 0.00 ATOM 292 CE2 PHE A 36 114.466 9.849 8.494 1.00 0.00 ATOM 293 CZ PHE A 36 114.570 11.083 7.906 1.00 0.00 ATOM 294 O PHE A 36 115.284 4.992 4.894 1.00 0.00 ATOM 295 C PHE A 36 116.373 5.564 4.978 1.00 0.00 ATOM 296 N SER A 37 117.473 5.043 4.449 1.00 0.00 ATOM 297 CA SER A 37 117.403 3.765 3.755 1.00 0.00 ATOM 298 CB SER A 37 117.512 3.961 2.241 1.00 0.00 ATOM 299 OG SER A 37 118.664 4.713 1.905 1.00 0.00 ATOM 300 O SER A 37 119.134 2.118 3.457 1.00 0.00 ATOM 301 C SER A 37 118.555 2.882 4.229 1.00 0.00 ATOM 302 N GLU A 38 118.904 3.012 5.574 1.00 0.00 ATOM 303 CA GLU A 38 119.982 2.245 6.171 1.00 0.00 ATOM 304 CB GLU A 38 120.073 2.526 7.672 1.00 0.00 ATOM 305 CG GLU A 38 121.218 1.810 8.370 1.00 0.00 ATOM 306 CD GLU A 38 121.312 2.157 9.841 1.00 0.00 ATOM 307 OE1 GLU A 38 120.493 2.973 10.312 1.00 0.00 ATOM 308 OE2 GLU A 38 122.206 1.613 10.525 1.00 0.00 ATOM 309 O GLU A 38 120.948 0.063 5.930 1.00 0.00 ATOM 310 C GLU A 38 119.912 0.730 6.103 1.00 0.00 ATOM 311 N GLU A 39 118.707 0.178 6.226 1.00 0.00 ATOM 312 CA GLU A 39 118.529 -1.273 6.207 1.00 0.00 ATOM 313 CB GLU A 39 117.121 -1.639 6.664 1.00 0.00 ATOM 314 CG GLU A 39 116.870 -1.332 8.094 1.00 0.00 ATOM 315 CD GLU A 39 115.485 -1.332 8.599 1.00 0.00 ATOM 316 OE1 GLU A 39 114.610 -1.108 7.744 1.00 0.00 ATOM 317 OE2 GLU A 39 115.214 -1.513 9.796 1.00 0.00 ATOM 318 O GLU A 39 119.053 -3.157 4.810 1.00 0.00 ATOM 319 C GLU A 39 118.862 -1.942 4.870 1.00 0.00 ATOM 320 N ASN A 40 118.930 -1.156 3.818 1.00 0.00 ATOM 321 CA ASN A 40 119.235 -1.657 2.476 1.00 0.00 ATOM 322 CB ASN A 40 119.304 -0.501 1.477 1.00 0.00 ATOM 323 CG ASN A 40 117.935 0.058 1.135 1.00 0.00 ATOM 324 ND2 ASN A 40 117.912 1.253 0.559 1.00 0.00 ATOM 325 OD1 ASN A 40 116.914 -0.581 1.390 1.00 0.00 ATOM 326 O ASN A 40 120.742 -3.507 2.077 1.00 0.00 ATOM 327 C ASN A 40 120.592 -2.374 2.519 1.00 0.00 ATOM 328 N ILE A 41 121.584 -1.682 3.085 1.00 0.00 ATOM 329 CA ILE A 41 122.927 -2.224 3.187 1.00 0.00 ATOM 330 CB ILE A 41 123.956 -1.183 3.664 1.00 0.00 ATOM 331 CG1 ILE A 41 123.960 0.017 2.710 1.00 0.00 ATOM 332 CG2 ILE A 41 125.352 -1.791 3.726 1.00 0.00 ATOM 333 CD1 ILE A 41 124.239 -0.328 1.250 1.00 0.00 ATOM 334 O ILE A 41 123.748 -4.365 3.897 1.00 0.00 ATOM 335 C ILE A 41 123.013 -3.415 4.148 1.00 0.00 ATOM 336 N GLU A 42 122.262 -3.365 5.245 1.00 0.00 ATOM 337 CA GLU A 42 122.266 -4.484 6.180 1.00 0.00 ATOM 338 CB GLU A 42 121.353 -4.188 7.373 1.00 0.00 ATOM 339 CG GLU A 42 121.872 -3.102 8.298 1.00 0.00 ATOM 340 CD GLU A 42 120.887 -2.751 9.396 1.00 0.00 ATOM 341 OE1 GLU A 42 119.769 -3.305 9.388 1.00 0.00 ATOM 342 OE2 GLU A 42 121.234 -1.923 10.263 1.00 0.00 ATOM 343 O GLU A 42 122.368 -6.803 5.576 1.00 0.00 ATOM 344 C GLU A 42 121.775 -5.730 5.453 1.00 0.00 ATOM 345 N PHE A 43 120.726 -5.575 4.664 1.00 0.00 ATOM 346 CA PHE A 43 120.156 -6.682 3.900 1.00 0.00 ATOM 347 CB PHE A 43 118.912 -6.210 3.146 1.00 0.00 ATOM 348 CG PHE A 43 118.280 -7.271 2.293 1.00 0.00 ATOM 349 CD1 PHE A 43 117.469 -8.242 2.857 1.00 0.00 ATOM 350 CD2 PHE A 43 118.497 -7.303 0.928 1.00 0.00 ATOM 351 CE1 PHE A 43 116.888 -9.219 2.074 1.00 0.00 ATOM 352 CE2 PHE A 43 117.918 -8.282 0.143 1.00 0.00 ATOM 353 CZ PHE A 43 117.114 -9.236 0.710 1.00 0.00 ATOM 354 O PHE A 43 121.237 -8.403 2.658 1.00 0.00 ATOM 355 C PHE A 43 121.135 -7.198 2.858 1.00 0.00 ATOM 356 N TRP A 44 121.844 -6.284 2.182 1.00 0.00 ATOM 357 CA TRP A 44 122.799 -6.713 1.169 1.00 0.00 ATOM 358 CB TRP A 44 123.466 -5.495 0.531 1.00 0.00 ATOM 359 CG TRP A 44 124.480 -5.845 -0.515 1.00 0.00 ATOM 360 CD1 TRP A 44 124.243 -6.093 -1.836 1.00 0.00 ATOM 361 CD2 TRP A 44 125.895 -5.986 -0.326 1.00 0.00 ATOM 362 CE2 TRP A 44 126.450 -6.319 -1.578 1.00 0.00 ATOM 363 CE3 TRP A 44 126.744 -5.860 0.776 1.00 0.00 ATOM 364 NE1 TRP A 44 125.419 -6.381 -2.483 1.00 0.00 ATOM 365 CZ2 TRP A 44 127.816 -6.532 -1.755 1.00 0.00 ATOM 366 CZ3 TRP A 44 128.097 -6.072 0.595 1.00 0.00 ATOM 367 CH2 TRP A 44 128.624 -6.402 -0.659 1.00 0.00 ATOM 368 O TRP A 44 124.261 -8.642 1.293 1.00 0.00 ATOM 369 C TRP A 44 123.887 -7.586 1.821 1.00 0.00 ATOM 370 N ILE A 45 124.368 -7.164 2.978 1.00 0.00 ATOM 371 CA ILE A 45 125.438 -7.905 3.658 1.00 0.00 ATOM 372 CB ILE A 45 125.950 -7.149 4.897 1.00 0.00 ATOM 373 CG1 ILE A 45 126.705 -5.887 4.478 1.00 0.00 ATOM 374 CG2 ILE A 45 126.893 -8.027 5.706 1.00 0.00 ATOM 375 CD1 ILE A 45 127.014 -4.949 5.625 1.00 0.00 ATOM 376 O ILE A 45 125.667 -10.286 3.958 1.00 0.00 ATOM 377 C ILE A 45 124.954 -9.287 4.107 1.00 0.00 ATOM 378 N ALA A 46 123.743 -9.354 4.657 1.00 0.00 ATOM 379 CA ALA A 46 123.202 -10.640 5.106 1.00 0.00 ATOM 380 CB ALA A 46 121.836 -10.424 5.759 1.00 0.00 ATOM 381 O ALA A 46 123.468 -12.777 4.058 1.00 0.00 ATOM 382 C ALA A 46 123.137 -11.603 3.928 1.00 0.00 ATOM 383 N CYS A 47 122.710 -11.098 2.774 1.00 0.00 ATOM 384 CA CYS A 47 122.612 -11.925 1.575 1.00 0.00 ATOM 385 CB CYS A 47 121.971 -11.160 0.420 1.00 0.00 ATOM 386 SG CYS A 47 120.256 -10.731 0.692 1.00 0.00 ATOM 387 O CYS A 47 124.169 -13.547 0.735 1.00 0.00 ATOM 388 C CYS A 47 123.996 -12.394 1.134 1.00 0.00 ATOM 389 N GLU A 48 124.977 -11.501 1.214 1.00 0.00 ATOM 390 CA GLU A 48 126.347 -11.854 0.842 1.00 0.00 ATOM 391 CB GLU A 48 127.321 -10.775 1.103 1.00 0.00 ATOM 392 CG GLU A 48 128.648 -10.939 0.362 1.00 0.00 ATOM 393 CD GLU A 48 128.491 -10.892 -1.152 1.00 0.00 ATOM 394 OE1 GLU A 48 127.715 -10.048 -1.645 1.00 0.00 ATOM 395 OE2 GLU A 48 129.153 -11.688 -1.850 1.00 0.00 ATOM 396 O GLU A 48 127.424 -13.965 1.243 1.00 0.00 ATOM 397 C GLU A 48 126.826 -13.002 1.725 1.00 0.00 ATOM 398 N ASP A 49 126.548 -12.901 3.020 1.00 0.00 ATOM 399 CA ASP A 49 126.928 -13.943 3.968 1.00 0.00 ATOM 400 CB ASP A 49 126.553 -13.534 5.394 1.00 0.00 ATOM 401 CG ASP A 49 127.450 -12.440 5.941 1.00 0.00 ATOM 402 OD1 ASP A 49 128.497 -12.165 5.319 1.00 0.00 ATOM 403 OD2 ASP A 49 127.104 -11.858 6.990 1.00 0.00 ATOM 404 O ASP A 49 126.784 -16.335 3.782 1.00 0.00 ATOM 405 C ASP A 49 126.205 -15.261 3.664 1.00 0.00 ATOM 406 N PHE A 50 124.956 -15.209 3.281 1.00 0.00 ATOM 407 CA PHE A 50 124.142 -16.391 2.937 1.00 0.00 ATOM 408 CB PHE A 50 122.745 -15.964 2.477 1.00 0.00 ATOM 409 CG PHE A 50 121.875 -17.109 2.039 1.00 0.00 ATOM 410 CD1 PHE A 50 121.209 -17.884 2.974 1.00 0.00 ATOM 411 CD2 PHE A 50 121.721 -17.408 0.699 1.00 0.00 ATOM 412 CE1 PHE A 50 120.408 -18.936 2.572 1.00 0.00 ATOM 413 CE2 PHE A 50 120.919 -18.460 0.299 1.00 0.00 ATOM 414 CZ PHE A 50 120.265 -19.224 1.230 1.00 0.00 ATOM 415 O PHE A 50 124.688 -18.485 1.858 1.00 0.00 ATOM 416 C PHE A 50 124.676 -17.249 1.786 1.00 0.00 ATOM 417 N LYS A 51 125.111 -16.591 0.742 1.00 0.00 ATOM 418 CA LYS A 51 125.619 -17.287 -0.427 1.00 0.00 ATOM 419 CB LYS A 51 125.830 -16.186 -1.546 1.00 0.00 ATOM 420 CG LYS A 51 126.447 -16.799 -2.803 1.00 0.00 ATOM 421 CD LYS A 51 126.632 -15.832 -3.927 1.00 0.00 ATOM 422 CE LYS A 51 127.131 -16.536 -5.193 1.00 0.00 ATOM 423 NZ LYS A 51 127.462 -15.482 -6.177 1.00 0.00 ATOM 424 O LYS A 51 126.960 -19.232 -0.735 1.00 0.00 ATOM 425 C LYS A 51 126.817 -18.164 -0.135 1.00 0.00 ATOM 426 N LYS A 52 127.650 -17.720 0.780 1.00 0.00 ATOM 427 CA LYS A 52 128.833 -18.494 1.148 1.00 0.00 ATOM 428 CB LYS A 52 129.768 -17.672 2.036 1.00 0.00 ATOM 429 CG LYS A 52 130.324 -16.425 1.367 1.00 0.00 ATOM 430 CD LYS A 52 131.211 -15.639 2.318 1.00 0.00 ATOM 431 CE LYS A 52 131.774 -14.398 1.646 1.00 0.00 ATOM 432 NZ LYS A 52 132.669 -13.629 2.556 1.00 0.00 ATOM 433 O LYS A 52 129.357 -20.651 2.032 1.00 0.00 ATOM 434 C LYS A 52 128.495 -19.821 1.868 1.00 0.00 ATOM 435 N SER A 53 127.256 -19.976 2.348 1.00 0.00 ATOM 436 CA SER A 53 126.878 -21.151 3.116 1.00 0.00 ATOM 437 CB SER A 53 125.534 -20.925 3.809 1.00 0.00 ATOM 438 OG SER A 53 125.104 -22.093 4.487 1.00 0.00 ATOM 439 O SER A 53 126.145 -22.214 1.159 1.00 0.00 ATOM 440 C SER A 53 126.774 -22.323 2.200 1.00 0.00 ATOM 441 N LYS A 54 127.401 -23.454 2.543 1.00 0.00 ATOM 442 CA LYS A 54 127.432 -24.646 1.671 1.00 0.00 ATOM 443 CB LYS A 54 128.829 -25.274 1.672 1.00 0.00 ATOM 444 CG LYS A 54 129.903 -24.399 1.045 1.00 0.00 ATOM 445 CD LYS A 54 131.257 -25.090 1.065 1.00 0.00 ATOM 446 CE LYS A 54 132.346 -24.182 0.514 1.00 0.00 ATOM 447 NZ LYS A 54 133.697 -24.796 0.646 1.00 0.00 ATOM 448 O LYS A 54 126.090 -26.543 1.211 1.00 0.00 ATOM 449 C LYS A 54 126.493 -25.763 2.059 1.00 0.00 ATOM 450 N GLY A 55 126.188 -25.883 3.352 1.00 0.00 ATOM 451 CA GLY A 55 125.279 -26.960 3.833 1.00 0.00 ATOM 452 O GLY A 55 123.337 -25.592 3.658 1.00 0.00 ATOM 453 C GLY A 55 123.839 -26.694 3.444 1.00 0.00 ATOM 454 N PRO A 56 123.137 -27.715 2.961 1.00 0.00 ATOM 455 CA PRO A 56 121.717 -27.531 2.562 1.00 0.00 ATOM 456 CB PRO A 56 121.294 -28.911 2.059 1.00 0.00 ATOM 457 CG PRO A 56 122.556 -29.537 1.575 1.00 0.00 ATOM 458 CD PRO A 56 123.629 -29.112 2.540 1.00 0.00 ATOM 459 O PRO A 56 119.936 -26.252 3.533 1.00 0.00 ATOM 460 C PRO A 56 120.806 -27.104 3.709 1.00 0.00 ATOM 461 N GLN A 57 120.997 -27.690 4.897 1.00 0.00 ATOM 462 CA GLN A 57 120.149 -27.353 6.031 1.00 0.00 ATOM 463 CB GLN A 57 120.393 -28.317 7.192 1.00 0.00 ATOM 464 CG GLN A 57 119.859 -29.721 6.956 1.00 0.00 ATOM 465 CD GLN A 57 120.215 -30.675 8.079 1.00 0.00 ATOM 466 OE1 GLN A 57 120.951 -30.320 9.000 1.00 0.00 ATOM 467 NE2 GLN A 57 119.692 -31.894 8.007 1.00 0.00 ATOM 468 O GLN A 57 119.400 -25.199 6.795 1.00 0.00 ATOM 469 C GLN A 57 120.358 -25.924 6.526 1.00 0.00 ATOM 470 N GLN A 58 121.615 -25.469 6.639 1.00 0.00 ATOM 471 CA GLN A 58 121.965 -24.116 7.058 1.00 0.00 ATOM 472 CB GLN A 58 123.491 -23.968 7.157 1.00 0.00 ATOM 473 CG GLN A 58 124.116 -24.654 8.359 1.00 0.00 ATOM 474 CD GLN A 58 125.610 -24.859 8.199 1.00 0.00 ATOM 475 OE1 GLN A 58 126.243 -24.247 7.338 1.00 0.00 ATOM 476 NE2 GLN A 58 126.181 -25.722 9.031 1.00 0.00 ATOM 477 O GLN A 58 120.939 -22.065 6.363 1.00 0.00 ATOM 478 C GLN A 58 121.428 -23.143 6.023 1.00 0.00 ATOM 479 N ILE A 59 121.531 -23.537 4.769 1.00 0.00 ATOM 480 CA ILE A 59 121.041 -22.675 3.703 1.00 0.00 ATOM 481 CB ILE A 59 121.398 -23.258 2.289 1.00 0.00 ATOM 482 CG1 ILE A 59 122.910 -23.141 2.047 1.00 0.00 ATOM 483 CG2 ILE A 59 120.628 -22.543 1.192 1.00 0.00 ATOM 484 CD1 ILE A 59 123.412 -23.802 0.764 1.00 0.00 ATOM 485 O ILE A 59 119.021 -21.373 3.759 1.00 0.00 ATOM 486 C ILE A 59 119.523 -22.487 3.850 1.00 0.00 ATOM 487 N HIS A 60 118.775 -23.563 4.073 1.00 0.00 ATOM 488 CA HIS A 60 117.329 -23.449 4.249 1.00 0.00 ATOM 489 CB HIS A 60 116.727 -24.836 4.474 1.00 0.00 ATOM 490 CG HIS A 60 115.259 -24.820 4.771 1.00 0.00 ATOM 491 CD2 HIS A 60 114.438 -25.014 5.958 1.00 0.00 ATOM 492 ND1 HIS A 60 114.308 -24.577 3.806 1.00 0.00 ATOM 493 CE1 HIS A 60 113.088 -24.626 4.371 1.00 0.00 ATOM 494 NE2 HIS A 60 113.158 -24.888 5.662 1.00 0.00 ATOM 495 O HIS A 60 116.085 -21.732 5.349 1.00 0.00 ATOM 496 C HIS A 60 116.965 -22.614 5.453 1.00 0.00 ATOM 497 N LEU A 61 117.661 -22.829 6.558 1.00 0.00 ATOM 498 CA LEU A 61 117.392 -22.063 7.813 1.00 0.00 ATOM 499 CB LEU A 61 118.267 -22.584 8.956 1.00 0.00 ATOM 500 CG LEU A 61 118.110 -21.879 10.304 1.00 0.00 ATOM 501 CD1 LEU A 61 116.692 -22.034 10.831 1.00 0.00 ATOM 502 CD2 LEU A 61 119.065 -22.467 11.332 1.00 0.00 ATOM 503 O LEU A 61 116.834 -19.708 8.003 1.00 0.00 ATOM 504 C LEU A 61 117.675 -20.547 7.684 1.00 0.00 ATOM 505 N LYS A 62 118.826 -20.187 7.126 1.00 0.00 ATOM 506 CA LYS A 62 119.137 -18.789 6.873 1.00 0.00 ATOM 507 CB LYS A 62 120.535 -18.652 6.268 1.00 0.00 ATOM 508 CG LYS A 62 121.665 -18.957 7.239 1.00 0.00 ATOM 509 CD LYS A 62 123.022 -18.800 6.574 1.00 0.00 ATOM 510 CE LYS A 62 124.151 -19.128 7.538 1.00 0.00 ATOM 511 NZ LYS A 62 125.487 -19.011 6.890 1.00 0.00 ATOM 512 O LYS A 62 117.860 -16.923 6.091 1.00 0.00 ATOM 513 C LYS A 62 118.183 -18.093 5.908 1.00 0.00 ATOM 514 N ALA A 63 117.717 -18.812 4.892 1.00 0.00 ATOM 515 CA ALA A 63 116.802 -18.223 3.925 1.00 0.00 ATOM 516 CB ALA A 63 116.529 -19.200 2.786 1.00 0.00 ATOM 517 O ALA A 63 115.041 -16.643 4.444 1.00 0.00 ATOM 518 C ALA A 63 115.519 -17.770 4.630 1.00 0.00 ATOM 519 N LYS A 64 114.954 -18.640 5.451 1.00 0.00 ATOM 520 CA LYS A 64 113.740 -18.302 6.181 1.00 0.00 ATOM 521 CB LYS A 64 113.248 -19.499 6.999 1.00 0.00 ATOM 522 CG LYS A 64 111.935 -19.257 7.723 1.00 0.00 ATOM 523 CD LYS A 64 111.458 -20.511 8.437 1.00 0.00 ATOM 524 CE LYS A 64 110.156 -20.262 9.181 1.00 0.00 ATOM 525 NZ LYS A 64 109.689 -21.478 9.903 1.00 0.00 ATOM 526 O LYS A 64 113.124 -16.243 7.253 1.00 0.00 ATOM 527 C LYS A 64 113.974 -17.127 7.125 1.00 0.00 ATOM 528 N ALA A 65 115.125 -17.109 7.789 1.00 0.00 ATOM 529 CA ALA A 65 115.453 -16.032 8.712 1.00 0.00 ATOM 530 CB ALA A 65 116.804 -16.294 9.361 1.00 0.00 ATOM 531 O ALA A 65 114.999 -13.685 8.467 1.00 0.00 ATOM 532 C ALA A 65 115.519 -14.690 7.981 1.00 0.00 ATOM 533 N ILE A 66 116.162 -14.685 6.819 1.00 0.00 ATOM 534 CA ILE A 66 116.266 -13.444 6.055 1.00 0.00 ATOM 535 CB ILE A 66 117.265 -13.656 4.885 1.00 0.00 ATOM 536 CG1 ILE A 66 118.687 -13.753 5.385 1.00 0.00 ATOM 537 CG2 ILE A 66 117.105 -12.515 3.877 1.00 0.00 ATOM 538 CD1 ILE A 66 119.679 -14.200 4.369 1.00 0.00 ATOM 539 O ILE A 66 114.578 -11.792 5.655 1.00 0.00 ATOM 540 C ILE A 66 114.887 -12.979 5.598 1.00 0.00 ATOM 541 N TYR A 67 114.062 -13.909 5.138 1.00 0.00 ATOM 542 CA TYR A 67 112.721 -13.549 4.687 1.00 0.00 ATOM 543 CB TYR A 67 111.891 -14.692 4.290 1.00 0.00 ATOM 544 CG TYR A 67 110.537 -14.297 3.770 1.00 0.00 ATOM 545 CD1 TYR A 67 110.408 -13.466 2.652 1.00 0.00 ATOM 546 CD2 TYR A 67 109.375 -14.789 4.358 1.00 0.00 ATOM 547 CE1 TYR A 67 109.157 -13.140 2.140 1.00 0.00 ATOM 548 CE2 TYR A 67 108.121 -14.470 3.849 1.00 0.00 ATOM 549 CZ TYR A 67 108.022 -13.649 2.737 1.00 0.00 ATOM 550 OH TYR A 67 106.792 -13.360 2.210 1.00 0.00 ATOM 551 O TYR A 67 111.517 -11.763 5.755 1.00 0.00 ATOM 552 C TYR A 67 111.973 -12.898 5.855 1.00 0.00 ATOM 553 N GLU A 68 112.011 -13.539 7.014 1.00 0.00 ATOM 554 CA GLU A 68 111.320 -13.010 8.185 1.00 0.00 ATOM 555 CB GLU A 68 111.281 -14.177 9.202 1.00 0.00 ATOM 556 CG GLU A 68 110.634 -13.845 10.542 1.00 0.00 ATOM 557 CD GLU A 68 110.602 -15.092 11.417 1.00 0.00 ATOM 558 OE1 GLU A 68 111.642 -15.782 11.559 1.00 0.00 ATOM 559 OE2 GLU A 68 109.501 -15.363 11.938 1.00 0.00 ATOM 560 O GLU A 68 111.193 -10.945 9.415 1.00 0.00 ATOM 561 C GLU A 68 111.899 -11.715 8.758 1.00 0.00 ATOM 562 N LYS A 69 113.250 -11.409 8.514 1.00 0.00 ATOM 563 CA LYS A 69 113.899 -10.211 9.028 1.00 0.00 ATOM 564 CB LYS A 69 115.441 -10.485 9.214 1.00 0.00 ATOM 565 CG LYS A 69 115.800 -11.391 10.372 1.00 0.00 ATOM 566 CD LYS A 69 117.308 -11.617 10.464 1.00 0.00 ATOM 567 CE LYS A 69 117.608 -12.695 11.505 1.00 0.00 ATOM 568 NZ LYS A 69 119.069 -12.993 11.578 1.00 0.00 ATOM 569 O LYS A 69 113.662 -7.849 8.741 1.00 0.00 ATOM 570 C LYS A 69 113.824 -8.936 8.190 1.00 0.00 ATOM 571 N PHE A 70 113.964 -9.066 6.868 1.00 0.00 ATOM 572 CA PHE A 70 113.954 -7.898 5.979 1.00 0.00 ATOM 573 CB PHE A 70 115.378 -7.851 5.241 1.00 0.00 ATOM 574 CG PHE A 70 116.555 -7.876 6.176 1.00 0.00 ATOM 575 CD1 PHE A 70 116.834 -6.804 6.982 1.00 0.00 ATOM 576 CD2 PHE A 70 117.443 -8.964 6.271 1.00 0.00 ATOM 577 CE1 PHE A 70 117.890 -6.814 7.887 1.00 0.00 ATOM 578 CE2 PHE A 70 118.435 -8.976 7.200 1.00 0.00 ATOM 579 CZ PHE A 70 118.666 -7.882 7.995 1.00 0.00 ATOM 580 O PHE A 70 112.529 -6.670 4.499 1.00 0.00 ATOM 581 C PHE A 70 112.826 -7.772 4.956 1.00 0.00 ATOM 582 N ILE A 71 112.242 -8.885 4.541 1.00 0.00 ATOM 583 CA ILE A 71 111.232 -8.821 3.486 1.00 0.00 ATOM 584 CB ILE A 71 111.489 -9.844 2.365 1.00 0.00 ATOM 585 CG1 ILE A 71 112.776 -9.498 1.613 1.00 0.00 ATOM 586 CG2 ILE A 71 110.335 -9.847 1.372 1.00 0.00 ATOM 587 CD1 ILE A 71 113.226 -10.576 0.650 1.00 0.00 ATOM 588 O ILE A 71 108.885 -8.487 3.193 1.00 0.00 ATOM 589 C ILE A 71 109.764 -9.062 3.832 1.00 0.00 ATOM 590 N GLN A 72 109.489 -9.897 4.826 1.00 0.00 ATOM 591 CA GLN A 72 108.102 -10.204 5.187 1.00 0.00 ATOM 592 CB GLN A 72 108.061 -11.270 6.285 1.00 0.00 ATOM 593 CG GLN A 72 106.657 -11.705 6.674 1.00 0.00 ATOM 594 CD GLN A 72 106.657 -12.804 7.717 1.00 0.00 ATOM 595 OE1 GLN A 72 107.711 -13.313 8.098 1.00 0.00 ATOM 596 NE2 GLN A 72 105.469 -13.175 8.186 1.00 0.00 ATOM 597 O GLN A 72 107.799 -8.000 6.108 1.00 0.00 ATOM 598 C GLN A 72 107.263 -9.031 5.698 1.00 0.00 ATOM 599 N THR A 73 105.927 -9.112 5.529 1.00 0.00 ATOM 600 CA THR A 73 105.042 -8.040 5.996 1.00 0.00 ATOM 601 CB THR A 73 103.560 -8.429 5.844 1.00 0.00 ATOM 602 CG2 THR A 73 102.660 -7.289 6.298 1.00 0.00 ATOM 603 OG1 THR A 73 103.277 -8.724 4.470 1.00 0.00 ATOM 604 O THR A 73 105.538 -8.694 8.240 1.00 0.00 ATOM 605 C THR A 73 105.361 -7.766 7.461 1.00 0.00 ATOM 606 N ASP A 74 105.505 -6.495 7.810 1.00 0.00 ATOM 607 CA ASP A 74 105.811 -6.138 9.182 1.00 0.00 ATOM 608 CB ASP A 74 104.698 -6.651 10.099 1.00 0.00 ATOM 609 CG ASP A 74 103.358 -6.007 9.803 1.00 0.00 ATOM 610 OD1 ASP A 74 103.298 -4.761 9.737 1.00 0.00 ATOM 611 OD2 ASP A 74 102.367 -6.748 9.633 1.00 0.00 ATOM 612 O ASP A 74 107.269 -6.856 10.952 1.00 0.00 ATOM 613 C ASP A 74 107.104 -6.694 9.725 1.00 0.00 ATOM 614 N ALA A 75 108.043 -6.969 8.813 1.00 0.00 ATOM 615 CA ALA A 75 109.353 -7.455 9.212 1.00 0.00 ATOM 616 CB ALA A 75 110.201 -7.754 7.985 1.00 0.00 ATOM 617 O ALA A 75 109.926 -5.190 9.741 1.00 0.00 ATOM 618 C ALA A 75 110.040 -6.372 10.042 1.00 0.00 ATOM 619 N PRO A 76 110.798 -6.775 11.056 1.00 0.00 ATOM 620 CA PRO A 76 111.488 -5.814 11.921 1.00 0.00 ATOM 621 CB PRO A 76 112.283 -6.692 12.889 1.00 0.00 ATOM 622 CG PRO A 76 111.492 -7.952 12.987 1.00 0.00 ATOM 623 CD PRO A 76 110.984 -8.236 11.601 1.00 0.00 ATOM 624 O PRO A 76 112.370 -3.626 11.374 1.00 0.00 ATOM 625 C PRO A 76 112.429 -4.848 11.221 1.00 0.00 ATOM 626 N LYS A 77 113.372 -5.515 10.389 1.00 0.00 ATOM 627 CA LYS A 77 114.328 -4.732 9.605 1.00 0.00 ATOM 628 CB LYS A 77 115.684 -4.758 10.353 1.00 0.00 ATOM 629 CG LYS A 77 115.655 -4.307 11.824 1.00 0.00 ATOM 630 CD LYS A 77 117.069 -4.586 12.309 1.00 0.00 ATOM 631 CE LYS A 77 117.259 -4.426 13.772 1.00 0.00 ATOM 632 NZ LYS A 77 118.764 -4.321 13.983 1.00 0.00 ATOM 633 O LYS A 77 113.996 -6.050 7.624 1.00 0.00 ATOM 634 C LYS A 77 113.691 -5.037 8.255 1.00 0.00 ATOM 635 N GLU A 78 112.631 -4.214 7.961 1.00 0.00 ATOM 636 CA GLU A 78 111.900 -4.377 6.709 1.00 0.00 ATOM 637 CB GLU A 78 110.405 -4.156 6.947 1.00 0.00 ATOM 638 CG GLU A 78 109.547 -4.320 5.704 1.00 0.00 ATOM 639 CD GLU A 78 108.078 -4.070 5.972 1.00 0.00 ATOM 640 OE1 GLU A 78 107.727 -3.784 7.137 1.00 0.00 ATOM 641 OE2 GLU A 78 107.275 -4.157 5.018 1.00 0.00 ATOM 642 O GLU A 78 112.596 -2.203 6.013 1.00 0.00 ATOM 643 C GLU A 78 112.407 -3.372 5.694 1.00 0.00 ATOM 644 N VAL A 79 112.688 -3.850 4.483 1.00 0.00 ATOM 645 CA VAL A 79 113.087 -2.995 3.373 1.00 0.00 ATOM 646 CB VAL A 79 114.561 -3.208 2.987 1.00 0.00 ATOM 647 CG1 VAL A 79 115.474 -2.830 4.144 1.00 0.00 ATOM 648 CG2 VAL A 79 114.815 -4.665 2.631 1.00 0.00 ATOM 649 O VAL A 79 111.547 -4.436 2.271 1.00 0.00 ATOM 650 C VAL A 79 112.146 -3.370 2.244 1.00 0.00 ATOM 651 N ASN A 80 111.950 -2.462 1.302 1.00 0.00 ATOM 652 CA ASN A 80 111.039 -2.711 0.194 1.00 0.00 ATOM 653 CB ASN A 80 110.245 -1.450 -0.161 1.00 0.00 ATOM 654 CG ASN A 80 109.249 -1.069 0.916 1.00 0.00 ATOM 655 ND2 ASN A 80 108.923 0.216 0.989 1.00 0.00 ATOM 656 OD1 ASN A 80 108.779 -1.920 1.671 1.00 0.00 ATOM 657 O ASN A 80 112.712 -2.454 -1.480 1.00 0.00 ATOM 658 C ASN A 80 111.749 -3.112 -1.079 1.00 0.00 ATOM 659 N LEU A 81 111.265 -4.136 -1.743 1.00 0.00 ATOM 660 CA LEU A 81 111.785 -4.554 -3.035 1.00 0.00 ATOM 661 CB LEU A 81 112.398 -5.952 -2.912 1.00 0.00 ATOM 662 CG LEU A 81 113.564 -6.096 -1.934 1.00 0.00 ATOM 663 CD1 LEU A 81 113.960 -7.556 -1.782 1.00 0.00 ATOM 664 CD2 LEU A 81 114.780 -5.325 -2.427 1.00 0.00 ATOM 665 O LEU A 81 109.430 -4.765 -3.495 1.00 0.00 ATOM 666 C LEU A 81 110.561 -4.570 -3.954 1.00 0.00 ATOM 667 N ASP A 82 110.742 -4.413 -5.186 1.00 0.00 ATOM 668 CA ASP A 82 109.670 -4.406 -6.193 1.00 0.00 ATOM 669 CB ASP A 82 110.112 -3.986 -7.596 1.00 0.00 ATOM 670 CG ASP A 82 110.432 -2.508 -7.688 1.00 0.00 ATOM 671 OD1 ASP A 82 110.133 -1.772 -6.723 1.00 0.00 ATOM 672 OD2 ASP A 82 110.982 -2.082 -8.728 1.00 0.00 ATOM 673 O ASP A 82 109.408 -6.773 -5.850 1.00 0.00 ATOM 674 C ASP A 82 108.941 -5.736 -6.329 1.00 0.00 ATOM 675 N PHE A 83 107.773 -5.677 -6.967 1.00 0.00 ATOM 676 CA PHE A 83 106.937 -6.848 -7.158 1.00 0.00 ATOM 677 CB PHE A 83 105.703 -6.496 -7.991 1.00 0.00 ATOM 678 CG PHE A 83 104.813 -7.670 -8.287 1.00 0.00 ATOM 679 CD1 PHE A 83 103.911 -8.128 -7.345 1.00 0.00 ATOM 680 CD2 PHE A 83 104.882 -8.316 -9.510 1.00 0.00 ATOM 681 CE1 PHE A 83 103.094 -9.210 -7.616 1.00 0.00 ATOM 682 CE2 PHE A 83 104.065 -9.397 -9.781 1.00 0.00 ATOM 683 CZ PHE A 83 103.173 -9.844 -8.841 1.00 0.00 ATOM 684 O PHE A 83 107.443 -9.157 -7.415 1.00 0.00 ATOM 685 C PHE A 83 107.556 -8.026 -7.877 1.00 0.00 ATOM 686 N HIS A 84 108.189 -7.774 -9.019 1.00 0.00 ATOM 687 CA HIS A 84 108.818 -8.836 -9.793 1.00 0.00 ATOM 688 CB HIS A 84 109.524 -8.401 -10.972 1.00 0.00 ATOM 689 CG HIS A 84 108.557 -8.099 -12.072 1.00 0.00 ATOM 690 CD2 HIS A 84 108.150 -6.926 -12.611 1.00 0.00 ATOM 691 ND1 HIS A 84 107.787 -9.078 -12.659 1.00 0.00 ATOM 692 CE1 HIS A 84 106.944 -8.521 -13.512 1.00 0.00 ATOM 693 NE2 HIS A 84 107.142 -7.216 -13.501 1.00 0.00 ATOM 694 O HIS A 84 109.958 -10.770 -8.928 1.00 0.00 ATOM 695 C HIS A 84 109.886 -9.539 -8.957 1.00 0.00 ATOM 696 N THR A 85 110.668 -8.758 -8.218 1.00 0.00 ATOM 697 CA THR A 85 111.723 -9.314 -7.378 1.00 0.00 ATOM 698 CB THR A 85 112.596 -8.207 -6.759 1.00 0.00 ATOM 699 CG2 THR A 85 113.654 -8.810 -5.846 1.00 0.00 ATOM 700 OG1 THR A 85 113.246 -7.470 -7.799 1.00 0.00 ATOM 701 O THR A 85 111.690 -11.205 -5.900 1.00 0.00 ATOM 702 C THR A 85 111.165 -10.137 -6.218 1.00 0.00 ATOM 703 N LYS A 86 110.139 -9.615 -5.550 1.00 0.00 ATOM 704 CA LYS A 86 109.532 -10.327 -4.422 1.00 0.00 ATOM 705 CB LYS A 86 108.433 -9.536 -3.774 1.00 0.00 ATOM 706 CG LYS A 86 108.986 -8.442 -2.893 1.00 0.00 ATOM 707 CD LYS A 86 107.891 -7.611 -2.283 1.00 0.00 ATOM 708 CE LYS A 86 108.483 -6.420 -1.547 1.00 0.00 ATOM 709 NZ LYS A 86 107.427 -5.476 -1.080 1.00 0.00 ATOM 710 O LYS A 86 108.978 -12.647 -4.160 1.00 0.00 ATOM 711 C LYS A 86 108.922 -11.651 -4.881 1.00 0.00 ATOM 712 N GLU A 87 108.319 -11.639 -6.070 1.00 0.00 ATOM 713 CA GLU A 87 107.710 -12.851 -6.620 1.00 0.00 ATOM 714 CB GLU A 87 107.075 -12.538 -7.977 1.00 0.00 ATOM 715 CG GLU A 87 106.387 -13.727 -8.628 1.00 0.00 ATOM 716 CD GLU A 87 105.742 -13.372 -9.953 1.00 0.00 ATOM 717 OE1 GLU A 87 105.822 -12.192 -10.356 1.00 0.00 ATOM 718 OE2 GLU A 87 105.156 -14.273 -10.592 1.00 0.00 ATOM 719 O GLU A 87 108.570 -15.081 -6.419 1.00 0.00 ATOM 720 C GLU A 87 108.762 -13.932 -6.816 1.00 0.00 ATOM 721 N VAL A 88 109.879 -13.560 -7.406 1.00 0.00 ATOM 722 CA VAL A 88 110.957 -14.505 -7.647 1.00 0.00 ATOM 723 CB VAL A 88 112.099 -13.862 -8.454 1.00 0.00 ATOM 724 CG1 VAL A 88 113.291 -14.804 -8.539 1.00 0.00 ATOM 725 CG2 VAL A 88 111.638 -13.547 -9.871 1.00 0.00 ATOM 726 O VAL A 88 111.778 -16.191 -6.142 1.00 0.00 ATOM 727 C VAL A 88 111.530 -14.998 -6.321 1.00 0.00 ATOM 728 N ILE A 89 111.699 -14.081 -5.370 1.00 0.00 ATOM 729 CA ILE A 89 112.232 -14.431 -4.060 1.00 0.00 ATOM 730 CB ILE A 89 112.416 -13.187 -3.174 1.00 0.00 ATOM 731 CG1 ILE A 89 113.456 -12.244 -3.786 1.00 0.00 ATOM 732 CG2 ILE A 89 112.888 -13.587 -1.785 1.00 0.00 ATOM 733 CD1 ILE A 89 114.835 -12.854 -3.906 1.00 0.00 ATOM 734 O ILE A 89 111.761 -16.385 -2.738 1.00 0.00 ATOM 735 C ILE A 89 111.311 -15.392 -3.307 1.00 0.00 ATOM 736 N THR A 90 110.019 -15.091 -3.286 1.00 0.00 ATOM 737 CA THR A 90 109.065 -15.956 -2.593 1.00 0.00 ATOM 738 CB THR A 90 107.661 -15.313 -2.544 1.00 0.00 ATOM 739 CG2 THR A 90 107.662 -13.914 -1.901 1.00 0.00 ATOM 740 OG1 THR A 90 107.151 -15.024 -3.852 1.00 0.00 ATOM 741 O THR A 90 109.022 -18.350 -2.561 1.00 0.00 ATOM 742 C THR A 90 109.006 -17.334 -3.251 1.00 0.00 ATOM 743 N ASN A 91 108.984 -17.366 -4.579 1.00 0.00 ATOM 744 CA ASN A 91 108.929 -18.637 -5.297 1.00 0.00 ATOM 745 CB ASN A 91 108.820 -18.396 -6.804 1.00 0.00 ATOM 746 CG ASN A 91 107.457 -17.878 -7.215 1.00 0.00 ATOM 747 ND2 ASN A 91 107.392 -17.244 -8.380 1.00 0.00 ATOM 748 OD1 ASN A 91 106.476 -18.046 -6.492 1.00 0.00 ATOM 749 O ASN A 91 110.145 -20.626 -4.779 1.00 0.00 ATOM 750 C ASN A 91 110.180 -19.431 -5.003 1.00 0.00 ATOM 751 N SER A 92 111.297 -18.711 -4.940 1.00 0.00 ATOM 752 CA SER A 92 112.573 -19.379 -4.678 1.00 0.00 ATOM 753 CB SER A 92 113.778 -18.419 -4.990 1.00 0.00 ATOM 754 OG SER A 92 113.944 -17.395 -4.031 1.00 0.00 ATOM 755 O SER A 92 113.297 -20.974 -3.065 1.00 0.00 ATOM 756 C SER A 92 112.670 -19.939 -3.275 1.00 0.00 ATOM 757 N ILE A 93 112.061 -19.262 -2.307 1.00 0.00 ATOM 758 CA ILE A 93 112.136 -19.708 -0.923 1.00 0.00 ATOM 759 CB ILE A 93 111.454 -18.711 0.031 1.00 0.00 ATOM 760 CG1 ILE A 93 112.254 -17.410 0.102 1.00 0.00 ATOM 761 CG2 ILE A 93 111.356 -19.294 1.432 1.00 0.00 ATOM 762 CD1 ILE A 93 111.528 -16.283 0.806 1.00 0.00 ATOM 763 O ILE A 93 111.860 -21.806 0.214 1.00 0.00 ATOM 764 C ILE A 93 111.458 -21.059 -0.674 1.00 0.00 ATOM 765 N THR A 94 110.398 -21.316 -1.546 1.00 0.00 ATOM 766 CA THR A 94 109.712 -22.600 -1.402 1.00 0.00 ATOM 767 CB THR A 94 108.660 -22.806 -2.507 1.00 0.00 ATOM 768 CG2 THR A 94 108.055 -24.198 -2.416 1.00 0.00 ATOM 769 OG1 THR A 94 107.614 -21.837 -2.363 1.00 0.00 ATOM 770 O THR A 94 110.670 -24.731 -0.754 1.00 0.00 ATOM 771 C THR A 94 110.782 -23.713 -1.449 1.00 0.00 ATOM 772 N GLN A 95 111.844 -23.475 -2.162 1.00 0.00 ATOM 773 CA GLN A 95 112.933 -24.459 -2.298 1.00 0.00 ATOM 774 CB GLN A 95 112.735 -25.327 -3.577 1.00 0.00 ATOM 775 CG GLN A 95 111.284 -25.709 -3.902 1.00 0.00 ATOM 776 CD GLN A 95 111.120 -26.396 -5.260 1.00 0.00 ATOM 777 OE1 GLN A 95 111.577 -25.886 -6.289 1.00 0.00 ATOM 778 NE2 GLN A 95 110.454 -27.545 -5.262 1.00 0.00 ATOM 779 O GLN A 95 114.808 -23.303 -3.264 1.00 0.00 ATOM 780 C GLN A 95 114.230 -23.652 -2.233 1.00 0.00 ATOM 781 N PRO A 96 114.667 -23.290 -1.018 1.00 0.00 ATOM 782 CA PRO A 96 115.883 -22.503 -0.783 1.00 0.00 ATOM 783 CB PRO A 96 116.032 -22.549 0.739 1.00 0.00 ATOM 784 CG PRO A 96 114.607 -22.677 1.209 1.00 0.00 ATOM 785 CD PRO A 96 114.043 -23.691 0.245 1.00 0.00 ATOM 786 O PRO A 96 117.497 -24.264 -1.022 1.00 0.00 ATOM 787 C PRO A 96 117.193 -23.097 -1.278 1.00 0.00 ATOM 788 N THR A 97 118.018 -22.247 -1.866 1.00 0.00 ATOM 789 CA THR A 97 119.318 -22.655 -2.376 1.00 0.00 ATOM 790 CB THR A 97 119.250 -22.853 -3.874 1.00 0.00 ATOM 791 CG2 THR A 97 118.288 -23.972 -4.228 1.00 0.00 ATOM 792 OG1 THR A 97 118.832 -21.637 -4.535 1.00 0.00 ATOM 793 O THR A 97 119.887 -20.441 -1.654 1.00 0.00 ATOM 794 C THR A 97 120.276 -21.506 -2.145 1.00 0.00 ATOM 795 N LEU A 98 121.530 -21.663 -2.579 1.00 0.00 ATOM 796 CA LEU A 98 122.532 -20.607 -2.473 1.00 0.00 ATOM 797 CB LEU A 98 123.858 -21.062 -3.091 1.00 0.00 ATOM 798 CG LEU A 98 124.610 -22.165 -2.342 1.00 0.00 ATOM 799 CD1 LEU A 98 125.804 -22.647 -3.152 1.00 0.00 ATOM 800 CD2 LEU A 98 125.119 -21.654 -1.002 1.00 0.00 ATOM 801 O LEU A 98 122.655 -18.227 -2.744 1.00 0.00 ATOM 802 C LEU A 98 122.214 -19.291 -3.179 1.00 0.00 ATOM 803 N HIS A 99 121.418 -19.341 -4.317 1.00 0.00 ATOM 804 CA HIS A 99 121.064 -18.127 -5.046 1.00 0.00 ATOM 805 CB HIS A 99 121.335 -18.324 -6.537 1.00 0.00 ATOM 806 CG HIS A 99 122.774 -18.581 -6.848 1.00 0.00 ATOM 807 CD2 HIS A 99 123.840 -17.749 -6.879 1.00 0.00 ATOM 808 ND1 HIS A 99 123.264 -19.839 -7.126 1.00 0.00 ATOM 809 CE1 HIS A 99 124.569 -19.769 -7.312 1.00 0.00 ATOM 810 NE2 HIS A 99 124.945 -18.509 -7.167 1.00 0.00 ATOM 811 O HIS A 99 119.132 -16.888 -5.699 1.00 0.00 ATOM 812 C HIS A 99 119.622 -17.673 -4.889 1.00 0.00 ATOM 813 N SER A 100 118.919 -18.198 -3.910 1.00 0.00 ATOM 814 CA SER A 100 117.547 -17.768 -3.658 1.00 0.00 ATOM 815 CB SER A 100 116.980 -18.490 -2.479 1.00 0.00 ATOM 816 OG SER A 100 116.831 -19.861 -2.811 1.00 0.00 ATOM 817 O SER A 100 116.295 -15.709 -3.594 1.00 0.00 ATOM 818 C SER A 100 117.389 -16.260 -3.414 1.00 0.00 ATOM 819 N PHE A 101 118.448 -15.613 -2.936 1.00 0.00 ATOM 820 CA PHE A 101 118.399 -14.173 -2.653 1.00 0.00 ATOM 821 CB PHE A 101 118.990 -13.898 -1.276 1.00 0.00 ATOM 822 CG PHE A 101 118.220 -14.561 -0.153 1.00 0.00 ATOM 823 CD1 PHE A 101 118.834 -15.518 0.660 1.00 0.00 ATOM 824 CD2 PHE A 101 116.889 -14.227 0.092 1.00 0.00 ATOM 825 CE1 PHE A 101 118.135 -16.135 1.700 1.00 0.00 ATOM 826 CE2 PHE A 101 116.177 -14.839 1.133 1.00 0.00 ATOM 827 CZ PHE A 101 116.812 -15.800 1.938 1.00 0.00 ATOM 828 O PHE A 101 119.369 -12.124 -3.434 1.00 0.00 ATOM 829 C PHE A 101 119.157 -13.316 -3.663 1.00 0.00 ATOM 830 N ASP A 102 119.594 -13.923 -4.759 1.00 0.00 ATOM 831 CA ASP A 102 120.336 -13.202 -5.785 1.00 0.00 ATOM 832 CB ASP A 102 120.739 -14.148 -6.919 1.00 0.00 ATOM 833 CG ASP A 102 121.607 -13.471 -7.961 1.00 0.00 ATOM 834 OD1 ASP A 102 122.718 -13.021 -7.607 1.00 0.00 ATOM 835 OD2 ASP A 102 121.177 -13.391 -9.131 1.00 0.00 ATOM 836 O ASP A 102 119.980 -10.980 -6.613 1.00 0.00 ATOM 837 C ASP A 102 119.488 -12.095 -6.404 1.00 0.00 ATOM 838 N ALA A 103 118.225 -12.386 -6.638 1.00 0.00 ATOM 839 CA ALA A 103 117.301 -11.410 -7.216 1.00 0.00 ATOM 840 CB ALA A 103 115.957 -12.069 -7.493 1.00 0.00 ATOM 841 O ALA A 103 117.245 -9.075 -6.730 1.00 0.00 ATOM 842 C ALA A 103 117.093 -10.229 -6.288 1.00 0.00 ATOM 843 N ALA A 104 116.883 -10.455 -4.981 1.00 0.00 ATOM 844 CA ALA A 104 116.720 -9.393 -4.043 1.00 0.00 ATOM 845 CB ALA A 104 116.263 -9.951 -2.686 1.00 0.00 ATOM 846 O ALA A 104 117.947 -7.332 -3.759 1.00 0.00 ATOM 847 C ALA A 104 117.987 -8.577 -3.832 1.00 0.00 ATOM 848 N GLN A 105 119.142 -9.233 -3.755 1.00 0.00 ATOM 849 CA GLN A 105 120.397 -8.530 -3.575 1.00 0.00 ATOM 850 CB GLN A 105 121.559 -9.518 -3.473 1.00 0.00 ATOM 851 CG GLN A 105 122.913 -8.863 -3.253 1.00 0.00 ATOM 852 CD GLN A 105 124.034 -9.874 -3.107 1.00 0.00 ATOM 853 OE1 GLN A 105 123.816 -11.078 -3.240 1.00 0.00 ATOM 854 NE2 GLN A 105 125.238 -9.386 -2.835 1.00 0.00 ATOM 855 O GLN A 105 121.008 -6.447 -4.582 1.00 0.00 ATOM 856 C GLN A 105 120.651 -7.619 -4.754 1.00 0.00 ATOM 857 N SER A 106 120.367 -8.089 -5.955 1.00 0.00 ATOM 858 CA SER A 106 120.556 -7.262 -7.169 1.00 0.00 ATOM 859 CB SER A 106 120.318 -8.094 -8.432 1.00 0.00 ATOM 860 OG SER A 106 121.278 -9.133 -8.546 1.00 0.00 ATOM 861 O SER A 106 120.012 -4.981 -7.641 1.00 0.00 ATOM 862 C SER A 106 119.624 -6.069 -7.212 1.00 0.00 ATOM 863 N ARG A 107 118.387 -6.273 -6.779 1.00 0.00 ATOM 864 CA ARG A 107 117.417 -5.191 -6.769 1.00 0.00 ATOM 865 CB ARG A 107 116.058 -5.695 -6.278 1.00 0.00 ATOM 866 CG ARG A 107 114.999 -4.609 -6.159 1.00 0.00 ATOM 867 CD ARG A 107 114.706 -3.975 -7.508 1.00 0.00 ATOM 868 NE ARG A 107 114.126 -4.933 -8.449 1.00 0.00 ATOM 869 CZ ARG A 107 113.960 -4.698 -9.746 1.00 0.00 ATOM 870 NH1 ARG A 107 113.425 -5.628 -10.525 1.00 0.00 ATOM 871 NH2 ARG A 107 114.329 -3.535 -10.263 1.00 0.00 ATOM 872 O ARG A 107 117.893 -2.900 -6.217 1.00 0.00 ATOM 873 C ARG A 107 117.894 -4.074 -5.839 1.00 0.00 ATOM 874 N VAL A 108 118.358 -4.448 -4.647 1.00 0.00 ATOM 875 CA VAL A 108 118.849 -3.471 -3.677 1.00 0.00 ATOM 876 CB VAL A 108 119.175 -4.132 -2.325 1.00 0.00 ATOM 877 CG1 VAL A 108 119.858 -3.138 -1.398 1.00 0.00 ATOM 878 CG2 VAL A 108 117.904 -4.624 -1.652 1.00 0.00 ATOM 879 O VAL A 108 120.320 -1.604 -3.989 1.00 0.00 ATOM 880 C VAL A 108 120.117 -2.798 -4.190 1.00 0.00 ATOM 881 N TYR A 109 120.964 -3.570 -4.861 1.00 0.00 ATOM 882 CA TYR A 109 122.197 -3.046 -5.428 1.00 0.00 ATOM 883 CB TYR A 109 122.993 -4.154 -6.071 1.00 0.00 ATOM 884 CG TYR A 109 124.360 -3.776 -6.663 1.00 0.00 ATOM 885 CD1 TYR A 109 125.530 -4.076 -5.989 1.00 0.00 ATOM 886 CD2 TYR A 109 124.456 -3.153 -7.894 1.00 0.00 ATOM 887 CE1 TYR A 109 126.796 -3.754 -6.539 1.00 0.00 ATOM 888 CE2 TYR A 109 125.698 -2.815 -8.446 1.00 0.00 ATOM 889 CZ TYR A 109 126.861 -3.124 -7.760 1.00 0.00 ATOM 890 OH TYR A 109 128.095 -2.838 -8.323 1.00 0.00 ATOM 891 O TYR A 109 122.493 -0.852 -6.393 1.00 0.00 ATOM 892 C TYR A 109 121.890 -1.935 -6.432 1.00 0.00 ATOM 893 N GLN A 110 120.949 -2.214 -7.332 1.00 0.00 ATOM 894 CA GLN A 110 120.555 -1.261 -8.367 1.00 0.00 ATOM 895 CB GLN A 110 119.657 -1.885 -9.420 1.00 0.00 ATOM 896 CG GLN A 110 120.428 -2.881 -10.310 1.00 0.00 ATOM 897 CD GLN A 110 121.614 -2.212 -10.972 1.00 0.00 ATOM 898 OE1 GLN A 110 121.527 -1.056 -11.414 1.00 0.00 ATOM 899 NE2 GLN A 110 122.734 -2.926 -11.074 1.00 0.00 ATOM 900 O GLN A 110 120.037 1.085 -8.228 1.00 0.00 ATOM 901 C GLN A 110 119.898 -0.036 -7.736 1.00 0.00 ATOM 902 N LEU A 111 119.105 -0.254 -6.681 1.00 0.00 ATOM 903 CA LEU A 111 118.466 0.861 -5.999 1.00 0.00 ATOM 904 CB LEU A 111 117.567 0.364 -4.880 1.00 0.00 ATOM 905 CG LEU A 111 116.219 -0.213 -5.354 1.00 0.00 ATOM 906 CD1 LEU A 111 115.528 -0.952 -4.222 1.00 0.00 ATOM 907 CD2 LEU A 111 115.340 0.918 -5.904 1.00 0.00 ATOM 908 O LEU A 111 119.394 3.039 -5.549 1.00 0.00 ATOM 909 C LEU A 111 119.504 1.821 -5.408 1.00 0.00 ATOM 910 N MET A 112 120.527 1.275 -4.749 1.00 0.00 ATOM 911 CA MET A 112 121.571 2.099 -4.153 1.00 0.00 ATOM 912 CB MET A 112 122.739 0.922 -3.807 1.00 0.00 ATOM 913 CG MET A 112 123.380 0.765 -2.452 1.00 0.00 ATOM 914 SD MET A 112 124.084 -0.862 -2.173 1.00 0.00 ATOM 915 CE MET A 112 122.682 -1.926 -2.380 1.00 0.00 ATOM 916 O MET A 112 122.642 4.000 -5.153 1.00 0.00 ATOM 917 C MET A 112 122.365 2.803 -5.248 1.00 0.00 ATOM 918 N GLU A 113 122.658 2.081 -6.318 1.00 0.00 ATOM 919 CA GLU A 113 123.386 2.690 -7.440 1.00 0.00 ATOM 920 CB GLU A 113 123.701 1.645 -8.512 1.00 0.00 ATOM 921 CG GLU A 113 124.517 2.180 -9.678 1.00 0.00 ATOM 922 CD GLU A 113 124.840 1.111 -10.702 1.00 0.00 ATOM 923 OE1 GLU A 113 124.438 -0.054 -10.492 1.00 0.00 ATOM 924 OE2 GLU A 113 125.494 1.436 -11.715 1.00 0.00 ATOM 925 O GLU A 113 123.066 4.932 -8.213 1.00 0.00 ATOM 926 C GLU A 113 122.587 3.806 -8.102 1.00 0.00 ATOM 927 N GLN A 114 121.320 3.528 -8.388 1.00 0.00 ATOM 928 CA GLN A 114 120.441 4.499 -9.026 1.00 0.00 ATOM 929 CB GLN A 114 119.165 3.732 -9.532 1.00 0.00 ATOM 930 CG GLN A 114 119.432 2.692 -10.624 1.00 0.00 ATOM 931 CD GLN A 114 118.179 2.301 -11.386 1.00 0.00 ATOM 932 OE1 GLN A 114 117.173 3.002 -11.340 1.00 0.00 ATOM 933 NE2 GLN A 114 118.262 1.210 -12.143 1.00 0.00 ATOM 934 O GLN A 114 119.904 6.804 -8.647 1.00 0.00 ATOM 935 C GLN A 114 119.980 5.674 -8.160 1.00 0.00 ATOM 936 N ASP A 115 119.644 5.421 -6.896 1.00 0.00 ATOM 937 CA ASP A 115 119.145 6.491 -6.033 1.00 0.00 ATOM 938 CB ASP A 115 117.982 5.995 -5.169 1.00 0.00 ATOM 939 CG ASP A 115 116.775 5.594 -5.994 1.00 0.00 ATOM 940 OD1 ASP A 115 116.351 6.395 -6.854 1.00 0.00 ATOM 941 OD2 ASP A 115 116.252 4.481 -5.778 1.00 0.00 ATOM 942 O ASP A 115 119.951 8.298 -4.710 1.00 0.00 ATOM 943 C ASP A 115 120.122 7.127 -5.052 1.00 0.00 ATOM 944 N SER A 116 121.231 6.464 -4.739 1.00 0.00 ATOM 945 CA SER A 116 122.150 7.022 -3.746 1.00 0.00 ATOM 946 CB SER A 116 122.282 6.057 -2.566 1.00 0.00 ATOM 947 OG SER A 116 121.043 5.902 -1.895 1.00 0.00 ATOM 948 O SER A 116 124.214 8.128 -3.480 1.00 0.00 ATOM 949 C SER A 116 123.571 7.305 -4.164 1.00 0.00 ATOM 950 N TYR A 117 124.140 6.473 -5.060 1.00 0.00 ATOM 951 CA TYR A 117 125.551 6.645 -5.405 1.00 0.00 ATOM 952 CB TYR A 117 125.928 5.743 -6.582 1.00 0.00 ATOM 953 CG TYR A 117 127.359 5.906 -7.045 1.00 0.00 ATOM 954 CD1 TYR A 117 128.399 5.278 -6.374 1.00 0.00 ATOM 955 CD2 TYR A 117 127.663 6.689 -8.152 1.00 0.00 ATOM 956 CE1 TYR A 117 129.709 5.420 -6.791 1.00 0.00 ATOM 957 CE2 TYR A 117 128.967 6.843 -8.582 1.00 0.00 ATOM 958 CZ TYR A 117 129.992 6.201 -7.891 1.00 0.00 ATOM 959 OH TYR A 117 131.296 6.347 -8.308 1.00 0.00 ATOM 960 O TYR A 117 126.974 8.540 -5.295 1.00 0.00 ATOM 961 C TYR A 117 126.010 8.018 -5.860 1.00 0.00 ATOM 962 N THR A 118 125.323 8.627 -6.819 1.00 0.00 ATOM 963 CA THR A 118 125.674 9.974 -7.282 1.00 0.00 ATOM 964 CB THR A 118 124.813 10.330 -8.480 1.00 0.00 ATOM 965 CG2 THR A 118 125.026 11.776 -8.928 1.00 0.00 ATOM 966 OG1 THR A 118 125.170 9.470 -9.577 1.00 0.00 ATOM 967 O THR A 118 126.416 11.855 -5.993 1.00 0.00 ATOM 968 C THR A 118 125.535 11.015 -6.179 1.00 0.00 ATOM 969 N ARG A 119 124.425 10.977 -5.450 1.00 0.00 ATOM 970 CA ARG A 119 124.219 11.921 -4.360 1.00 0.00 ATOM 971 CB ARG A 119 122.772 11.636 -3.840 1.00 0.00 ATOM 972 CG ARG A 119 122.347 12.472 -2.630 1.00 0.00 ATOM 973 CD ARG A 119 120.831 12.758 -2.535 1.00 0.00 ATOM 974 NE ARG A 119 119.978 11.614 -2.853 1.00 0.00 ATOM 975 CZ ARG A 119 119.140 11.570 -3.883 1.00 0.00 ATOM 976 NH1 ARG A 119 119.054 12.605 -4.733 1.00 0.00 ATOM 977 NH2 ARG A 119 118.397 10.481 -4.081 1.00 0.00 ATOM 978 O ARG A 119 125.772 12.755 -2.711 1.00 0.00 ATOM 979 C ARG A 119 125.329 11.769 -3.313 1.00 0.00 ATOM 980 N PHE A 120 125.761 10.532 -3.079 1.00 0.00 ATOM 981 CA PHE A 120 126.835 10.285 -2.115 1.00 0.00 ATOM 982 CB PHE A 120 127.134 8.785 -2.018 1.00 0.00 ATOM 983 CG PHE A 120 128.255 8.451 -1.074 1.00 0.00 ATOM 984 CD1 PHE A 120 128.039 8.412 0.292 1.00 0.00 ATOM 985 CD2 PHE A 120 129.522 8.175 -1.553 1.00 0.00 ATOM 986 CE1 PHE A 120 129.068 8.103 1.159 1.00 0.00 ATOM 987 CE2 PHE A 120 130.551 7.866 -0.686 1.00 0.00 ATOM 988 CZ PHE A 120 130.330 7.831 0.665 1.00 0.00 ATOM 989 O PHE A 120 128.694 11.768 -1.779 1.00 0.00 ATOM 990 C PHE A 120 128.094 11.024 -2.558 1.00 0.00 ATOM 991 N LEU A 121 128.460 10.857 -3.826 1.00 0.00 ATOM 992 CA LEU A 121 129.660 11.536 -4.306 1.00 0.00 ATOM 993 CB LEU A 121 129.998 11.082 -5.728 1.00 0.00 ATOM 994 CG LEU A 121 130.450 9.630 -5.883 1.00 0.00 ATOM 995 CD1 LEU A 121 130.593 9.266 -7.354 1.00 0.00 ATOM 996 CD2 LEU A 121 131.794 9.407 -5.207 1.00 0.00 ATOM 997 O LEU A 121 130.519 13.767 -4.159 1.00 0.00 ATOM 998 C LEU A 121 129.525 13.055 -4.320 1.00 0.00 ATOM 999 N LYS A 122 128.299 13.542 -4.502 1.00 0.00 ATOM 1000 CA LYS A 122 128.025 14.979 -4.535 1.00 0.00 ATOM 1001 CB LYS A 122 126.822 15.269 -5.436 1.00 0.00 ATOM 1002 CG LYS A 122 127.048 14.926 -6.900 1.00 0.00 ATOM 1003 CD LYS A 122 125.814 15.234 -7.735 1.00 0.00 ATOM 1004 CE LYS A 122 126.020 14.840 -9.188 1.00 0.00 ATOM 1005 NZ LYS A 122 124.828 15.162 -10.022 1.00 0.00 ATOM 1006 O LYS A 122 127.521 16.743 -2.994 1.00 0.00 ATOM 1007 C LYS A 122 127.715 15.539 -3.148 1.00 0.00 ATOM 1008 N SER A 123 127.720 14.673 -2.138 1.00 0.00 ATOM 1009 CA SER A 123 127.395 15.072 -0.769 1.00 0.00 ATOM 1010 CB SER A 123 126.876 13.864 0.010 1.00 0.00 ATOM 1011 OG SER A 123 127.915 12.948 0.298 1.00 0.00 ATOM 1012 O SER A 123 129.748 15.383 -0.333 1.00 0.00 ATOM 1013 C SER A 123 128.589 15.642 0.012 1.00 0.00 ATOM 1014 N ASP A 124 128.288 16.392 1.086 1.00 0.00 ATOM 1015 CA ASP A 124 129.304 16.973 1.964 1.00 0.00 ATOM 1016 CB ASP A 124 128.655 17.848 3.037 1.00 0.00 ATOM 1017 CG ASP A 124 128.108 19.146 2.476 1.00 0.00 ATOM 1018 OD1 ASP A 124 128.438 19.480 1.319 1.00 0.00 ATOM 1019 OD2 ASP A 124 127.347 19.830 3.193 1.00 0.00 ATOM 1020 O ASP A 124 131.291 16.106 2.978 1.00 0.00 ATOM 1021 C ASP A 124 130.126 15.895 2.659 1.00 0.00 ATOM 1022 N ILE A 125 129.523 14.771 2.931 1.00 0.00 ATOM 1023 CA ILE A 125 130.194 13.664 3.596 1.00 0.00 ATOM 1024 CB ILE A 125 129.230 12.490 3.852 1.00 0.00 ATOM 1025 CG1 ILE A 125 128.173 12.882 4.884 1.00 0.00 ATOM 1026 CG2 ILE A 125 129.991 11.281 4.376 1.00 0.00 ATOM 1027 CD1 ILE A 125 127.032 11.895 4.998 1.00 0.00 ATOM 1028 O ILE A 125 132.491 13.060 3.220 1.00 0.00 ATOM 1029 C ILE A 125 131.358 13.164 2.746 1.00 0.00 ATOM 1030 N TYR A 126 131.103 12.884 1.468 1.00 0.00 ATOM 1031 CA TYR A 126 132.164 12.421 0.585 1.00 0.00 ATOM 1032 CB TYR A 126 131.616 12.198 -0.828 1.00 0.00 ATOM 1033 CG TYR A 126 132.661 11.758 -1.827 1.00 0.00 ATOM 1034 CD1 TYR A 126 133.075 10.433 -1.887 1.00 0.00 ATOM 1035 CD2 TYR A 126 133.229 12.669 -2.708 1.00 0.00 ATOM 1036 CE1 TYR A 126 134.029 10.023 -2.798 1.00 0.00 ATOM 1037 CE2 TYR A 126 134.185 12.276 -3.626 1.00 0.00 ATOM 1038 CZ TYR A 126 134.583 10.939 -3.664 1.00 0.00 ATOM 1039 OH TYR A 126 135.532 10.534 -4.572 1.00 0.00 ATOM 1040 O TYR A 126 134.459 13.127 0.396 1.00 0.00 ATOM 1041 C TYR A 126 133.266 13.477 0.457 1.00 0.00 ATOM 1042 N LEU A 127 132.908 14.742 0.252 1.00 0.00 ATOM 1043 CA LEU A 127 133.925 15.776 0.127 1.00 0.00 ATOM 1044 CB LEU A 127 133.263 17.149 -0.131 1.00 0.00 ATOM 1045 CG LEU A 127 132.630 17.278 -1.516 1.00 0.00 ATOM 1046 CD1 LEU A 127 131.863 18.568 -1.573 1.00 0.00 ATOM 1047 CD2 LEU A 127 133.692 17.240 -2.602 1.00 0.00 ATOM 1048 O LEU A 127 136.033 15.947 1.218 1.00 0.00 ATOM 1049 C LEU A 127 134.820 15.862 1.353 1.00 0.00 ATOM 1050 N ASP A 128 134.237 15.736 2.542 1.00 0.00 ATOM 1051 CA ASP A 128 135.012 15.767 3.783 1.00 0.00 ATOM 1052 CB ASP A 128 134.078 15.740 4.994 1.00 0.00 ATOM 1053 CG ASP A 128 133.329 17.045 5.183 1.00 0.00 ATOM 1054 OD1 ASP A 128 133.708 18.044 4.535 1.00 0.00 ATOM 1055 OD2 ASP A 128 132.366 17.070 5.974 1.00 0.00 ATOM 1056 O ASP A 128 137.085 14.686 4.308 1.00 0.00 ATOM 1057 C ASP A 128 135.947 14.570 3.854 1.00 0.00 ATOM 1058 N LEU A 129 135.430 13.379 3.491 1.00 0.00 ATOM 1059 CA LEU A 129 136.214 12.157 3.503 1.00 0.00 ATOM 1060 CB LEU A 129 135.390 10.962 3.087 1.00 0.00 ATOM 1061 CG LEU A 129 134.307 10.518 4.069 1.00 0.00 ATOM 1062 CD1 LEU A 129 133.461 9.431 3.426 1.00 0.00 ATOM 1063 CD2 LEU A 129 134.949 10.016 5.363 1.00 0.00 ATOM 1064 O LEU A 129 138.558 12.001 2.960 1.00 0.00 ATOM 1065 C LEU A 129 137.429 12.318 2.588 1.00 0.00 ATOM 1066 N MET A 130 137.196 12.906 1.420 1.00 0.00 ATOM 1067 CA MET A 130 138.255 13.119 0.440 1.00 0.00 ATOM 1068 CB MET A 130 137.710 13.623 -0.853 1.00 0.00 ATOM 1069 CG MET A 130 138.778 13.991 -1.839 1.00 0.00 ATOM 1070 SD MET A 130 138.093 14.572 -3.341 1.00 0.00 ATOM 1071 CE MET A 130 137.519 16.227 -2.987 1.00 0.00 ATOM 1072 O MET A 130 140.498 13.896 0.782 1.00 0.00 ATOM 1073 C MET A 130 139.298 14.112 0.938 1.00 0.00 ATOM 1074 N GLU A 131 138.832 15.242 1.477 1.00 0.00 ATOM 1075 CA GLU A 131 139.729 16.273 1.979 1.00 0.00 ATOM 1076 CB GLU A 131 138.929 17.485 2.462 1.00 0.00 ATOM 1077 CG GLU A 131 138.267 18.277 1.344 1.00 0.00 ATOM 1078 CD GLU A 131 137.386 19.393 1.865 1.00 0.00 ATOM 1079 OE1 GLU A 131 137.233 19.504 3.101 1.00 0.00 ATOM 1080 OE2 GLU A 131 136.847 20.159 1.039 1.00 0.00 ATOM 1081 O GLU A 131 141.815 15.922 3.096 1.00 0.00 ATOM 1082 C GLU A 131 140.596 15.744 3.120 1.00 0.00 ATOM 1083 N GLY A 132 139.981 14.936 4.037 1.00 0.00 ATOM 1084 CA GLY A 132 140.760 14.433 5.156 1.00 0.00 ATOM 1085 O GLY A 132 141.675 12.282 5.789 1.00 0.00 ATOM 1086 C GLY A 132 141.151 12.990 4.922 1.00 0.00 ENDMDL EXPDTA 2jm5A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2jm5A ATOM 1 N SER 1 138.415 3.968 9.390 1.00 0.00 ATOM 2 CA SER 1 138.458 4.242 7.980 1.00 0.00 ATOM 3 CB SER 1 137.207 5.008 7.560 1.00 0.00 ATOM 4 OG SER 1 136.029 4.256 7.871 1.00 0.00 ATOM 5 O SER 1 140.045 6.016 8.259 1.00 0.00 ATOM 6 C SER 1 139.716 5.014 7.625 1.00 0.00 ATOM 7 N MET 2 140.425 4.529 6.640 1.00 0.00 ATOM 8 CA MET 2 141.631 5.168 6.173 1.00 0.00 ATOM 9 CB MET 2 142.875 4.569 6.859 1.00 0.00 ATOM 10 CG MET 2 144.196 5.204 6.432 1.00 0.00 ATOM 11 SD MET 2 145.634 4.489 7.274 1.00 0.00 ATOM 12 CE MET 2 145.523 2.776 6.739 1.00 0.00 ATOM 13 O MET 2 142.133 3.979 4.162 1.00 0.00 ATOM 14 C MET 2 141.718 5.019 4.669 1.00 0.00 ATOM 15 N VAL 3 141.269 6.021 3.966 1.00 0.00 ATOM 16 CA VAL 3 141.264 6.004 2.519 1.00 0.00 ATOM 17 CB VAL 3 139.802 5.869 1.945 1.00 0.00 ATOM 18 CG1 VAL 3 138.878 6.914 2.541 1.00 0.00 ATOM 19 CG2 VAL 3 139.789 6.005 0.436 1.00 0.00 ATOM 20 O VAL 3 141.710 8.361 2.387 1.00 0.00 ATOM 21 C VAL 3 141.966 7.240 1.957 1.00 0.00 ATOM 22 N SER 4 142.867 7.025 1.044 1.00 0.00 ATOM 23 CA SER 4 143.544 8.098 0.383 1.00 0.00 ATOM 24 CB SER 4 144.789 7.546 -0.335 1.00 0.00 ATOM 25 OG SER 4 144.476 6.380 -1.104 1.00 0.00 ATOM 26 O SER 4 141.745 8.118 -1.200 1.00 0.00 ATOM 27 C SER 4 142.577 8.789 -0.580 1.00 0.00 ATOM 28 N PRO 5 142.620 10.145 -0.667 1.00 0.00 ATOM 29 CA PRO 5 141.762 10.932 -1.576 1.00 0.00 ATOM 30 CB PRO 5 142.427 12.304 -1.573 1.00 0.00 ATOM 31 CG PRO 5 143.010 12.418 -0.210 1.00 0.00 ATOM 32 CD PRO 5 143.470 11.031 0.163 1.00 0.00 ATOM 33 O PRO 5 140.667 10.454 -3.658 1.00 0.00 ATOM 34 C PRO 5 141.698 10.358 -3.000 1.00 0.00 ATOM 35 N GLU 6 142.789 9.729 -3.442 1.00 0.00 ATOM 36 CA GLU 6 142.831 9.083 -4.752 1.00 0.00 ATOM 37 CB GLU 6 144.233 8.563 -5.047 1.00 0.00 ATOM 38 CG GLU 6 144.354 7.871 -6.392 1.00 0.00 ATOM 39 CD GLU 6 145.724 7.330 -6.634 1.00 0.00 ATOM 40 OE1 GLU 6 146.584 8.068 -7.143 1.00 0.00 ATOM 41 OE2 GLU 6 145.976 6.139 -6.321 1.00 0.00 ATOM 42 O GLU 6 140.926 7.908 -5.618 1.00 0.00 ATOM 43 C GLU 6 141.827 7.923 -4.801 1.00 0.00 ATOM 44 N GLU 7 141.976 6.992 -3.878 1.00 0.00 ATOM 45 CA GLU 7 141.118 5.813 -3.766 1.00 0.00 ATOM 46 CB GLU 7 141.668 4.967 -2.591 1.00 0.00 ATOM 47 CG GLU 7 140.809 3.818 -2.055 1.00 0.00 ATOM 48 CD GLU 7 140.516 2.727 -3.035 1.00 0.00 ATOM 49 OE1 GLU 7 141.438 2.274 -3.765 1.00 0.00 ATOM 50 OE2 GLU 7 139.382 2.246 -3.056 1.00 0.00 ATOM 51 O GLU 7 138.738 5.675 -4.043 1.00 0.00 ATOM 52 C GLU 7 139.671 6.267 -3.527 1.00 0.00 ATOM 53 N ALA 8 139.516 7.362 -2.796 1.00 0.00 ATOM 54 CA ALA 8 138.211 7.917 -2.532 1.00 0.00 ATOM 55 CB ALA 8 138.253 8.941 -1.398 1.00 0.00 ATOM 56 O ALA 8 136.418 8.150 -4.098 1.00 0.00 ATOM 57 C ALA 8 137.562 8.479 -3.812 1.00 0.00 ATOM 58 N VAL 9 138.291 9.304 -4.611 1.00 0.00 ATOM 59 CA VAL 9 137.727 9.823 -5.897 1.00 0.00 ATOM 60 CB VAL 9 138.633 10.877 -6.653 1.00 0.00 ATOM 61 CG1 VAL 9 138.932 12.093 -5.807 1.00 0.00 ATOM 62 CG2 VAL 9 139.918 10.274 -7.197 1.00 0.00 ATOM 63 O VAL 9 136.493 8.749 -7.681 1.00 0.00 ATOM 64 C VAL 9 137.400 8.666 -6.845 1.00 0.00 ATOM 65 N LYS 10 138.126 7.584 -6.673 1.00 0.00 ATOM 66 CA LYS 10 137.945 6.361 -7.423 1.00 0.00 ATOM 67 CB LYS 10 139.108 5.435 -7.146 1.00 0.00 ATOM 68 CG LYS 10 140.421 5.870 -7.763 1.00 0.00 ATOM 69 CD LYS 10 140.415 5.636 -9.242 1.00 0.00 ATOM 70 CE LYS 10 140.285 4.155 -9.507 1.00 0.00 ATOM 71 NZ LYS 10 140.280 3.846 -10.952 1.00 0.00 ATOM 72 O LYS 10 136.084 4.902 -7.870 1.00 0.00 ATOM 73 C LYS 10 136.612 5.678 -7.086 1.00 0.00 ATOM 74 N TRP 11 136.073 5.968 -5.926 1.00 0.00 ATOM 75 CA TRP 11 134.767 5.447 -5.542 1.00 0.00 ATOM 76 CB TRP 11 134.516 5.619 -4.041 1.00 0.00 ATOM 77 CG TRP 11 135.466 4.875 -3.165 1.00 0.00 ATOM 78 CD1 TRP 11 136.330 3.892 -3.535 1.00 0.00 ATOM 79 CD2 TRP 11 135.619 5.033 -1.759 1.00 0.00 ATOM 80 CE2 TRP 11 136.619 4.142 -1.348 1.00 0.00 ATOM 81 CE3 TRP 11 135.016 5.859 -0.810 1.00 0.00 ATOM 82 NE1 TRP 11 137.045 3.466 -2.458 1.00 0.00 ATOM 83 CZ2 TRP 11 137.024 4.048 -0.029 1.00 0.00 ATOM 84 CZ3 TRP 11 135.417 5.756 0.504 1.00 0.00 ATOM 85 CH2 TRP 11 136.410 4.861 0.881 1.00 0.00 ATOM 86 O TRP 11 132.604 5.638 -6.540 1.00 0.00 ATOM 87 C TRP 11 133.683 6.173 -6.311 1.00 0.00 ATOM 88 N GLY 12 134.014 7.369 -6.776 1.00 0.00 ATOM 89 CA GLY 12 133.060 8.216 -7.458 1.00 0.00 ATOM 90 O GLY 12 132.314 8.646 -9.681 1.00 0.00 ATOM 91 C GLY 12 132.938 7.898 -8.929 1.00 0.00 ATOM 92 N GLU 13 133.563 6.815 -9.346 1.00 0.00 ATOM 93 CA GLU 13 133.468 6.362 -10.719 1.00 0.00 ATOM 94 CB GLU 13 134.818 6.525 -11.443 1.00 0.00 ATOM 95 CG GLU 13 135.981 5.805 -10.774 1.00 0.00 ATOM 96 CD GLU 13 137.312 6.136 -11.394 1.00 0.00 ATOM 97 OE1 GLU 13 137.713 7.312 -11.346 1.00 0.00 ATOM 98 OE2 GLU 13 137.997 5.228 -11.918 1.00 0.00 ATOM 99 O GLU 13 132.727 4.376 -11.868 1.00 0.00 ATOM 100 C GLU 13 132.968 4.918 -10.781 1.00 0.00 ATOM 101 N SER 14 132.817 4.287 -9.618 1.00 0.00 ATOM 102 CA SER 14 132.355 2.907 -9.535 1.00 0.00 ATOM 103 CB SER 14 133.516 1.925 -9.830 1.00 0.00 ATOM 104 OG SER 14 134.053 2.120 -11.135 1.00 0.00 ATOM 105 O SER 14 132.502 2.451 -7.162 1.00 0.00 ATOM 106 C SER 14 131.759 2.601 -8.147 1.00 0.00 ATOM 107 N PHE 15 130.427 2.504 -8.071 1.00 0.00 ATOM 108 CA PHE 15 129.728 2.164 -6.826 1.00 0.00 ATOM 109 CB PHE 15 128.192 2.194 -7.016 1.00 0.00 ATOM 110 CG PHE 15 127.385 1.803 -5.786 1.00 0.00 ATOM 111 CD1 PHE 15 127.520 2.492 -4.593 1.00 0.00 ATOM 112 CD2 PHE 15 126.483 0.752 -5.836 1.00 0.00 ATOM 113 CE1 PHE 15 126.777 2.142 -3.481 1.00 0.00 ATOM 114 CE2 PHE 15 125.741 0.402 -4.721 1.00 0.00 ATOM 115 CZ PHE 15 125.890 1.097 -3.548 1.00 0.00 ATOM 116 O PHE 15 130.305 0.594 -5.123 1.00 0.00 ATOM 117 C PHE 15 130.177 0.802 -6.323 1.00 0.00 ATOM 118 N ASP 16 130.465 -0.102 -7.247 1.00 0.00 ATOM 119 CA ASP 16 130.917 -1.441 -6.886 1.00 0.00 ATOM 120 CB ASP 16 131.040 -2.339 -8.112 1.00 0.00 ATOM 121 CG ASP 16 131.448 -3.743 -7.750 1.00 0.00 ATOM 122 OD1 ASP 16 130.582 -4.530 -7.347 1.00 0.00 ATOM 123 OD2 ASP 16 132.637 -4.083 -7.875 1.00 0.00 ATOM 124 O ASP 16 132.467 -2.115 -5.197 1.00 0.00 ATOM 125 C ASP 16 132.248 -1.382 -6.154 1.00 0.00 ATOM 126 N LYS 17 133.114 -0.465 -6.573 1.00 0.00 ATOM 127 CA LYS 17 134.420 -0.307 -5.946 1.00 0.00 ATOM 128 CB LYS 17 135.296 0.667 -6.721 1.00 0.00 ATOM 129 CG LYS 17 136.571 1.025 -5.997 1.00 0.00 ATOM 130 CD LYS 17 137.436 1.948 -6.809 1.00 0.00 ATOM 131 CE LYS 17 138.650 2.378 -6.019 1.00 0.00 ATOM 132 NZ LYS 17 139.546 1.265 -5.658 1.00 0.00 ATOM 133 O LYS 17 134.850 -0.348 -3.606 1.00 0.00 ATOM 134 C LYS 17 134.250 0.189 -4.540 1.00 0.00 ATOM 135 N LEU 18 133.407 1.184 -4.412 1.00 0.00 ATOM 136 CA LEU 18 133.069 1.801 -3.153 1.00 0.00 ATOM 137 CB LEU 18 131.950 2.814 -3.418 1.00 0.00 ATOM 138 CG LEU 18 131.188 3.349 -2.210 1.00 0.00 ATOM 139 CD1 LEU 18 132.075 4.177 -1.323 1.00 0.00 ATOM 140 CD2 LEU 18 130.019 4.155 -2.675 1.00 0.00 ATOM 141 O LEU 18 133.110 0.572 -1.106 1.00 0.00 ATOM 142 C LEU 18 132.570 0.758 -2.188 1.00 0.00 ATOM 143 N LEU 19 131.597 0.046 -2.650 1.00 0.00 ATOM 144 CA LEU 19 130.865 -0.901 -1.881 1.00 0.00 ATOM 145 CB LEU 19 129.684 -1.310 -2.707 1.00 0.00 ATOM 146 CG LEU 19 128.497 -1.813 -1.969 1.00 0.00 ATOM 147 CD1 LEU 19 128.004 -0.730 -1.011 1.00 0.00 ATOM 148 CD2 LEU 19 127.441 -2.154 -2.977 1.00 0.00 ATOM 149 O LEU 19 131.537 -2.703 -0.443 1.00 0.00 ATOM 150 C LEU 19 131.709 -2.117 -1.509 1.00 0.00 ATOM 151 N SER 20 132.603 -2.502 -2.383 1.00 0.00 ATOM 152 CA SER 20 133.461 -3.627 -2.111 1.00 0.00 ATOM 153 CB SER 20 133.942 -4.251 -3.414 1.00 0.00 ATOM 154 OG SER 20 132.833 -4.652 -4.216 1.00 0.00 ATOM 155 O SER 20 135.219 -4.055 -0.519 1.00 0.00 ATOM 156 C SER 20 134.640 -3.220 -1.223 1.00 0.00 ATOM 157 N HIS 21 134.965 -1.941 -1.213 1.00 0.00 ATOM 158 CA HIS 21 136.081 -1.457 -0.432 1.00 0.00 ATOM 159 CB HIS 21 136.542 -0.062 -0.924 1.00 0.00 ATOM 160 CG HIS 21 137.956 0.284 -0.571 1.00 0.00 ATOM 161 CD2 HIS 21 139.121 -0.141 -1.108 1.00 0.00 ATOM 162 ND1 HIS 21 138.303 1.178 0.410 1.00 0.00 ATOM 163 CE1 HIS 21 139.613 1.280 0.462 1.00 0.00 ATOM 164 NE2 HIS 21 140.131 0.494 -0.440 1.00 0.00 ATOM 165 O HIS 21 134.559 -0.738 1.214 1.00 0.00 ATOM 166 C HIS 21 135.585 -1.353 0.985 1.00 0.00 ATOM 167 N ARG 22 136.288 -1.941 1.921 1.00 0.00 ATOM 168 CA ARG 22 135.842 -1.949 3.329 1.00 0.00 ATOM 169 CB ARG 22 136.786 -2.765 4.234 1.00 0.00 ATOM 170 CG ARG 22 136.561 -4.282 4.217 1.00 0.00 ATOM 171 CD ARG 22 136.684 -4.897 2.831 1.00 0.00 ATOM 172 NE ARG 22 136.446 -6.340 2.861 1.00 0.00 ATOM 173 CZ ARG 22 135.718 -7.027 1.973 1.00 0.00 ATOM 174 NH1 ARG 22 135.099 -6.395 0.977 1.00 0.00 ATOM 175 NH2 ARG 22 135.618 -8.346 2.083 1.00 0.00 ATOM 176 O ARG 22 134.645 -0.259 4.536 1.00 0.00 ATOM 177 C ARG 22 135.635 -0.537 3.867 1.00 0.00 ATOM 178 N ASP 23 136.541 0.357 3.525 1.00 0.00 ATOM 179 CA ASP 23 136.427 1.769 3.919 1.00 0.00 ATOM 180 CB ASP 23 137.730 2.548 3.670 1.00 0.00 ATOM 181 CG ASP 23 138.888 2.059 4.491 1.00 0.00 ATOM 182 OD1 ASP 23 139.714 1.313 3.971 1.00 0.00 ATOM 183 OD2 ASP 23 138.975 2.394 5.681 1.00 0.00 ATOM 184 O ASP 23 134.733 3.428 3.667 1.00 0.00 ATOM 185 C ASP 23 135.297 2.462 3.180 1.00 0.00 ATOM 186 N GLY 24 134.947 1.949 2.017 1.00 0.00 ATOM 187 CA GLY 24 133.933 2.596 1.212 1.00 0.00 ATOM 188 O GLY 24 131.678 2.990 1.743 1.00 0.00 ATOM 189 C GLY 24 132.577 2.168 1.608 1.00 0.00 ATOM 190 N LEU 25 132.426 0.878 1.803 1.00 0.00 ATOM 191 CA LEU 25 131.212 0.307 2.331 1.00 0.00 ATOM 192 CB LEU 25 131.361 -1.241 2.427 1.00 0.00 ATOM 193 CG LEU 25 130.816 -1.969 3.676 1.00 0.00 ATOM 194 CD1 LEU 25 130.546 -3.427 3.334 1.00 0.00 ATOM 195 CD2 LEU 25 131.857 -1.925 4.804 1.00 0.00 ATOM 196 O LEU 25 129.741 1.189 3.996 1.00 0.00 ATOM 197 C LEU 25 130.891 0.959 3.662 1.00 0.00 ATOM 198 N GLU 26 131.941 1.302 4.374 1.00 0.00 ATOM 199 CA GLU 26 131.851 1.956 5.633 1.00 0.00 ATOM 200 CB GLU 26 133.195 1.874 6.312 1.00 0.00 ATOM 201 CG GLU 26 133.218 2.320 7.758 1.00 0.00 ATOM 202 CD GLU 26 132.365 1.447 8.635 1.00 0.00 ATOM 203 OE1 GLU 26 132.599 0.219 8.669 1.00 0.00 ATOM 204 OE2 GLU 26 131.482 1.959 9.340 1.00 0.00 ATOM 205 O GLU 26 130.539 3.885 6.173 1.00 0.00 ATOM 206 C GLU 26 131.401 3.412 5.443 1.00 0.00 ATOM 207 N ALA 27 131.936 4.105 4.421 1.00 0.00 ATOM 208 CA ALA 27 131.532 5.500 4.185 1.00 0.00 ATOM 209 CB ALA 27 132.415 6.177 3.119 1.00 0.00 ATOM 210 O ALA 27 129.266 6.363 4.226 1.00 0.00 ATOM 211 C ALA 27 130.068 5.534 3.754 1.00 0.00 ATOM 212 N PHE 28 129.714 4.587 2.914 1.00 0.00 ATOM 213 CA PHE 28 128.385 4.508 2.366 1.00 0.00 ATOM 214 CB PHE 28 128.339 3.563 1.156 1.00 0.00 ATOM 215 CG PHE 28 127.031 3.598 0.417 1.00 0.00 ATOM 216 CD1 PHE 28 126.073 2.619 0.610 1.00 0.00 ATOM 217 CD2 PHE 28 126.758 4.629 -0.466 1.00 0.00 ATOM 218 CE1 PHE 28 124.873 2.668 -0.062 1.00 0.00 ATOM 219 CE2 PHE 28 125.562 4.682 -1.141 1.00 0.00 ATOM 220 CZ PHE 28 124.618 3.702 -0.940 1.00 0.00 ATOM 221 O PHE 28 126.296 4.612 3.513 1.00 0.00 ATOM 222 C PHE 28 127.394 4.069 3.427 1.00 0.00 ATOM 223 N THR 29 127.787 3.110 4.268 1.00 0.00 ATOM 224 CA THR 29 126.892 2.634 5.285 1.00 0.00 ATOM 225 CB THR 29 127.336 1.291 5.988 1.00 0.00 ATOM 226 CG2 THR 29 128.517 1.496 6.930 1.00 0.00 ATOM 227 OG1 THR 29 126.242 0.757 6.758 1.00 0.00 ATOM 228 O THR 29 125.544 3.772 6.830 1.00 0.00 ATOM 229 C THR 29 126.611 3.730 6.301 1.00 0.00 ATOM 230 N ARG 30 127.559 4.646 6.511 1.00 0.00 ATOM 231 CA ARG 30 127.346 5.779 7.415 1.00 0.00 ATOM 232 CB ARG 30 128.627 6.570 7.612 1.00 0.00 ATOM 233 CG ARG 30 129.668 5.837 8.416 1.00 0.00 ATOM 234 CD ARG 30 130.967 6.610 8.482 1.00 0.00 ATOM 235 NE ARG 30 130.821 7.997 8.976 1.00 0.00 ATOM 236 CZ ARG 30 131.851 8.856 9.071 1.00 0.00 ATOM 237 NH1 ARG 30 133.088 8.414 8.908 1.00 0.00 ATOM 238 NH2 ARG 30 131.649 10.140 9.366 1.00 0.00 ATOM 239 O ARG 30 125.317 7.044 7.607 1.00 0.00 ATOM 240 C ARG 30 126.250 6.678 6.881 1.00 0.00 ATOM 241 N PHE 31 126.338 6.980 5.598 1.00 0.00 ATOM 242 CA PHE 31 125.343 7.795 4.912 1.00 0.00 ATOM 243 CB PHE 31 125.813 8.062 3.468 1.00 0.00 ATOM 244 CG PHE 31 124.868 8.887 2.641 1.00 0.00 ATOM 245 CD1 PHE 31 124.841 10.262 2.770 1.00 0.00 ATOM 246 CD2 PHE 31 124.011 8.286 1.732 1.00 0.00 ATOM 247 CE1 PHE 31 123.978 11.025 2.011 1.00 0.00 ATOM 248 CE2 PHE 31 123.146 9.043 0.974 1.00 0.00 ATOM 249 CZ PHE 31 123.130 10.415 1.115 1.00 0.00 ATOM 250 O PHE 31 122.916 7.711 4.999 1.00 0.00 ATOM 251 C PHE 31 123.974 7.084 4.921 1.00 0.00 ATOM 252 N LEU 32 124.018 5.787 4.877 1.00 0.00 ATOM 253 CA LEU 32 122.830 4.975 4.849 1.00 0.00 ATOM 254 CB LEU 32 123.208 3.630 4.235 1.00 0.00 ATOM 255 CG LEU 32 122.096 2.801 3.635 1.00 0.00 ATOM 256 CD1 LEU 32 121.389 3.576 2.528 1.00 0.00 ATOM 257 CD2 LEU 32 122.673 1.517 3.083 1.00 0.00 ATOM 258 O LEU 32 121.024 4.720 6.475 1.00 0.00 ATOM 259 C LEU 32 122.244 4.814 6.285 1.00 0.00 ATOM 260 N LYS 33 123.126 4.808 7.283 1.00 0.00 ATOM 261 CA LYS 33 122.752 4.688 8.699 1.00 0.00 ATOM 262 CB LYS 33 123.975 4.361 9.585 1.00 0.00 ATOM 263 CG LYS 33 124.488 2.932 9.514 1.00 0.00 ATOM 264 CD LYS 33 125.793 2.784 10.285 1.00 0.00 ATOM 265 CE LYS 33 126.258 1.333 10.357 1.00 0.00 ATOM 266 NZ LYS 33 125.358 0.503 11.186 1.00 0.00 ATOM 267 O LYS 33 121.131 5.899 9.953 1.00 0.00 ATOM 268 C LYS 33 122.123 5.959 9.225 1.00 0.00 ATOM 269 N THR 34 122.686 7.095 8.844 1.00 0.00 ATOM 270 CA THR 34 122.277 8.389 9.374 1.00 0.00 ATOM 271 CB THR 34 123.220 9.544 8.865 1.00 0.00 ATOM 272 CG2 THR 34 123.104 9.754 7.375 1.00 0.00 ATOM 273 OG1 THR 34 122.945 10.786 9.532 1.00 0.00 ATOM 274 O THR 34 120.133 9.351 9.979 1.00 0.00 ATOM 275 C THR 34 120.771 8.702 9.140 1.00 0.00 ATOM 276 N GLU 35 120.199 8.196 8.050 1.00 0.00 ATOM 277 CA GLU 35 118.782 8.430 7.769 1.00 0.00 ATOM 278 CB GLU 35 118.588 8.991 6.366 1.00 0.00 ATOM 279 CG GLU 35 119.131 8.122 5.251 1.00 0.00 ATOM 280 CD GLU 35 118.890 8.748 3.912 1.00 0.00 ATOM 281 OE1 GLU 35 119.391 9.856 3.675 1.00 0.00 ATOM 282 OE2 GLU 35 118.217 8.144 3.054 1.00 0.00 ATOM 283 O GLU 35 116.765 7.113 7.627 1.00 0.00 ATOM 284 C GLU 35 117.956 7.160 7.965 1.00 0.00 ATOM 285 N PHE 36 118.595 6.155 8.541 1.00 0.00 ATOM 286 CA PHE 36 117.994 4.856 8.835 1.00 0.00 ATOM 287 CB PHE 36 116.916 4.943 9.934 1.00 0.00 ATOM 288 CG PHE 36 117.426 5.437 11.261 1.00 0.00 ATOM 289 CD1 PHE 36 117.433 6.792 11.560 1.00 0.00 ATOM 290 CD2 PHE 36 117.894 4.547 12.210 1.00 0.00 ATOM 291 CE1 PHE 36 117.896 7.246 12.776 1.00 0.00 ATOM 292 CE2 PHE 36 118.360 4.998 13.431 1.00 0.00 ATOM 293 CZ PHE 36 118.361 6.348 13.714 1.00 0.00 ATOM 294 O PHE 36 116.248 4.088 7.334 1.00 0.00 ATOM 295 C PHE 36 117.462 4.141 7.588 1.00 0.00 ATOM 296 N SER 37 118.371 3.679 6.776 1.00 0.00 ATOM 297 CA SER 37 118.060 2.867 5.611 1.00 0.00 ATOM 298 CB SER 37 117.845 3.762 4.390 1.00 0.00 ATOM 299 OG SER 37 116.781 4.688 4.627 1.00 0.00 ATOM 300 O SER 37 119.430 1.379 4.290 1.00 0.00 ATOM 301 C SER 37 119.222 1.908 5.383 1.00 0.00 ATOM 302 N GLU 38 119.914 1.611 6.475 1.00 0.00 ATOM 303 CA GLU 38 121.146 0.841 6.441 1.00 0.00 ATOM 304 CB GLU 38 121.906 1.026 7.753 1.00 0.00 ATOM 305 CG GLU 38 121.149 0.514 8.959 1.00 0.00 ATOM 306 CD GLU 38 121.825 0.804 10.259 1.00 0.00 ATOM 307 OE1 GLU 38 122.836 0.171 10.563 1.00 0.00 ATOM 308 OE2 GLU 38 121.326 1.642 11.032 1.00 0.00 ATOM 309 O GLU 38 121.786 -1.386 5.798 1.00 0.00 ATOM 310 C GLU 38 120.881 -0.641 6.185 1.00 0.00 ATOM 311 N GLU 39 119.631 -1.054 6.335 1.00 0.00 ATOM 312 CA GLU 39 119.287 -2.452 6.184 1.00 0.00 ATOM 313 CB GLU 39 118.017 -2.880 6.965 1.00 0.00 ATOM 314 CG GLU 39 116.732 -2.115 6.664 1.00 0.00 ATOM 315 CD GLU 39 116.739 -0.724 7.223 1.00 0.00 ATOM 316 OE1 GLU 39 116.937 0.219 6.477 1.00 0.00 ATOM 317 OE2 GLU 39 116.588 -0.556 8.459 1.00 0.00 ATOM 318 O GLU 39 118.944 -4.016 4.451 1.00 0.00 ATOM 319 C GLU 39 119.224 -2.884 4.732 1.00 0.00 ATOM 320 N ASN 40 119.497 -1.973 3.824 1.00 0.00 ATOM 321 CA ASN 40 119.601 -2.323 2.409 1.00 0.00 ATOM 322 CB ASN 40 119.320 -1.107 1.510 1.00 0.00 ATOM 323 CG ASN 40 117.881 -0.632 1.590 1.00 0.00 ATOM 324 ND2 ASN 40 117.666 0.637 1.383 1.00 0.00 ATOM 325 OD1 ASN 40 116.963 -1.417 1.812 1.00 0.00 ATOM 326 O ASN 40 121.185 -4.000 1.560 1.00 0.00 ATOM 327 C ASN 40 120.998 -2.878 2.144 1.00 0.00 ATOM 328 N ILE 41 121.995 -2.156 2.648 1.00 0.00 ATOM 329 CA ILE 41 123.360 -2.597 2.509 1.00 0.00 ATOM 330 CB ILE 41 124.411 -1.497 2.952 1.00 0.00 ATOM 331 CG1 ILE 41 125.653 -1.546 2.038 1.00 0.00 ATOM 332 CG2 ILE 41 124.821 -1.613 4.443 1.00 0.00 ATOM 333 CD1 ILE 41 126.714 -0.515 2.370 1.00 0.00 ATOM 334 O ILE 41 124.123 -4.840 2.878 1.00 0.00 ATOM 335 C ILE 41 123.504 -3.879 3.314 1.00 0.00 ATOM 336 N GLU 42 122.824 -3.921 4.461 1.00 0.00 ATOM 337 CA GLU 42 122.851 -5.083 5.268 1.00 0.00 ATOM 338 CB GLU 42 122.905 -4.803 6.756 1.00 0.00 ATOM 339 CG GLU 42 124.318 -4.467 7.222 1.00 0.00 ATOM 340 CD GLU 42 124.400 -4.160 8.686 1.00 0.00 ATOM 341 OE1 GLU 42 124.388 -5.111 9.516 1.00 0.00 ATOM 342 OE2 GLU 42 124.482 -2.971 9.054 1.00 0.00 ATOM 343 O GLU 42 121.844 -7.244 5.397 1.00 0.00 ATOM 344 C GLU 42 121.839 -6.138 4.861 1.00 0.00 ATOM 345 N PHE 43 120.993 -5.799 3.903 1.00 0.00 ATOM 346 CA PHE 43 120.097 -6.754 3.278 1.00 0.00 ATOM 347 CB PHE 43 119.199 -6.067 2.224 1.00 0.00 ATOM 348 CG PHE 43 118.459 -6.990 1.297 1.00 0.00 ATOM 349 CD1 PHE 43 117.219 -7.443 1.617 1.00 0.00 ATOM 350 CD2 PHE 43 119.021 -7.381 0.086 1.00 0.00 ATOM 351 CE1 PHE 43 116.533 -8.271 0.768 1.00 0.00 ATOM 352 CE2 PHE 43 118.346 -8.215 -0.771 1.00 0.00 ATOM 353 CZ PHE 43 117.098 -8.661 -0.429 1.00 0.00 ATOM 354 O PHE 43 120.861 -8.976 2.945 1.00 0.00 ATOM 355 C PHE 43 120.936 -7.785 2.618 1.00 0.00 ATOM 356 N TRP 44 121.788 -7.347 1.706 1.00 0.00 ATOM 357 CA TRP 44 122.613 -8.334 1.055 1.00 0.00 ATOM 358 CB TRP 44 122.943 -8.074 -0.416 1.00 0.00 ATOM 359 CG TRP 44 123.455 -6.727 -0.770 1.00 0.00 ATOM 360 CD1 TRP 44 122.815 -5.810 -1.543 1.00 0.00 ATOM 361 CD2 TRP 44 124.703 -6.145 -0.395 1.00 0.00 ATOM 362 CE2 TRP 44 124.750 -4.875 -0.977 1.00 0.00 ATOM 363 CE3 TRP 44 125.784 -6.570 0.385 1.00 0.00 ATOM 364 NE1 TRP 44 123.591 -4.705 -1.697 1.00 0.00 ATOM 365 CZ2 TRP 44 125.831 -4.032 -0.812 1.00 0.00 ATOM 366 CZ3 TRP 44 126.857 -5.727 0.548 1.00 0.00 ATOM 367 CH2 TRP 44 126.872 -4.471 -0.043 1.00 0.00 ATOM 368 O TRP 44 124.276 -9.907 1.677 1.00 0.00 ATOM 369 C TRP 44 123.776 -8.820 1.895 1.00 0.00 ATOM 370 N ILE 45 124.175 -8.035 2.887 1.00 0.00 ATOM 371 CA ILE 45 125.160 -8.495 3.863 1.00 0.00 ATOM 372 CB ILE 45 125.603 -7.338 4.822 1.00 0.00 ATOM 373 CG1 ILE 45 126.546 -6.360 4.094 1.00 0.00 ATOM 374 CG2 ILE 45 126.173 -7.803 6.159 1.00 0.00 ATOM 375 CD1 ILE 45 127.023 -5.186 4.930 1.00 0.00 ATOM 376 O ILE 45 125.296 -10.653 4.897 1.00 0.00 ATOM 377 C ILE 45 124.586 -9.694 4.624 1.00 0.00 ATOM 378 N ALA 46 123.281 -9.661 4.901 1.00 0.00 ATOM 379 CA ALA 46 122.600 -10.787 5.530 1.00 0.00 ATOM 380 CB ALA 46 121.150 -10.450 5.875 1.00 0.00 ATOM 381 O ALA 46 122.893 -13.105 5.000 1.00 0.00 ATOM 382 C ALA 46 122.621 -11.976 4.588 1.00 0.00 ATOM 383 N CYS 47 122.354 -11.702 3.323 1.00 0.00 ATOM 384 CA CYS 47 122.306 -12.720 2.285 1.00 0.00 ATOM 385 CB CYS 47 121.854 -12.092 0.969 1.00 0.00 ATOM 386 SG CYS 47 120.274 -11.220 1.084 1.00 0.00 ATOM 387 O CYS 47 123.747 -14.624 2.080 1.00 0.00 ATOM 388 C CYS 47 123.662 -13.402 2.113 1.00 0.00 ATOM 389 N GLU 48 124.718 -12.616 2.047 1.00 0.00 ATOM 390 CA GLU 48 126.047 -13.160 1.880 1.00 0.00 ATOM 391 CB GLU 48 127.013 -12.089 1.357 1.00 0.00 ATOM 392 CG GLU 48 126.572 -11.439 0.027 1.00 0.00 ATOM 393 CD GLU 48 126.469 -12.407 -1.154 1.00 0.00 ATOM 394 OE1 GLU 48 127.426 -12.468 -1.981 1.00 0.00 ATOM 395 OE2 GLU 48 125.444 -13.103 -1.301 1.00 0.00 ATOM 396 O GLU 48 127.387 -14.717 3.171 1.00 0.00 ATOM 397 C GLU 48 126.541 -13.819 3.192 1.00 0.00 ATOM 398 N ASP 49 125.986 -13.389 4.321 1.00 0.00 ATOM 399 CA ASP 49 126.263 -14.028 5.631 1.00 0.00 ATOM 400 CB ASP 49 125.649 -13.209 6.778 1.00 0.00 ATOM 401 CG ASP 49 125.730 -13.910 8.118 1.00 0.00 ATOM 402 OD1 ASP 49 124.753 -14.599 8.503 1.00 0.00 ATOM 403 OD2 ASP 49 126.773 -13.802 8.801 1.00 0.00 ATOM 404 O ASP 49 126.219 -16.372 6.185 1.00 0.00 ATOM 405 C ASP 49 125.662 -15.421 5.641 1.00 0.00 ATOM 406 N PHE 50 124.529 -15.508 5.029 1.00 0.00 ATOM 407 CA PHE 50 123.792 -16.728 4.861 1.00 0.00 ATOM 408 CB PHE 50 122.345 -16.325 4.513 1.00 0.00 ATOM 409 CG PHE 50 121.565 -17.209 3.620 1.00 0.00 ATOM 410 CD1 PHE 50 120.984 -16.672 2.494 1.00 0.00 ATOM 411 CD2 PHE 50 121.395 -18.544 3.884 1.00 0.00 ATOM 412 CE1 PHE 50 120.245 -17.447 1.652 1.00 0.00 ATOM 413 CE2 PHE 50 120.665 -19.319 3.039 1.00 0.00 ATOM 414 CZ PHE 50 120.088 -18.771 1.925 1.00 0.00 ATOM 415 O PHE 50 124.602 -18.839 4.009 1.00 0.00 ATOM 416 C PHE 50 124.500 -17.630 3.830 1.00 0.00 ATOM 417 N LYS 51 125.032 -16.997 2.810 1.00 0.00 ATOM 418 CA LYS 51 125.880 -17.621 1.780 1.00 0.00 ATOM 419 CB LYS 51 126.330 -16.498 0.849 1.00 0.00 ATOM 420 CG LYS 51 127.315 -16.829 -0.251 1.00 0.00 ATOM 421 CD LYS 51 127.848 -15.519 -0.792 1.00 0.00 ATOM 422 CE LYS 51 128.806 -15.670 -1.945 1.00 0.00 ATOM 423 NZ LYS 51 129.355 -14.350 -2.338 1.00 0.00 ATOM 424 O LYS 51 127.670 -19.257 1.889 1.00 0.00 ATOM 425 C LYS 51 127.114 -18.297 2.427 1.00 0.00 ATOM 426 N LYS 52 127.536 -17.770 3.574 1.00 0.00 ATOM 427 CA LYS 52 128.658 -18.329 4.339 1.00 0.00 ATOM 428 CB LYS 52 129.135 -17.336 5.410 1.00 0.00 ATOM 429 CG LYS 52 129.679 -16.026 4.861 1.00 0.00 ATOM 430 CD LYS 52 130.017 -15.030 5.976 1.00 0.00 ATOM 431 CE LYS 52 131.072 -15.571 6.929 1.00 0.00 ATOM 432 NZ LYS 52 131.414 -14.601 7.995 1.00 0.00 ATOM 433 O LYS 52 129.184 -20.388 5.472 1.00 0.00 ATOM 434 C LYS 52 128.298 -19.669 5.013 1.00 0.00 ATOM 435 N SER 53 127.024 -19.999 5.079 1.00 0.00 ATOM 436 CA SER 53 126.599 -21.233 5.712 1.00 0.00 ATOM 437 CB SER 53 125.151 -21.112 6.217 1.00 0.00 ATOM 438 OG SER 53 124.755 -22.275 6.936 1.00 0.00 ATOM 439 O SER 53 126.682 -22.154 3.509 1.00 0.00 ATOM 440 C SER 53 126.713 -22.375 4.712 1.00 0.00 ATOM 441 N LYS 54 126.872 -23.578 5.191 1.00 0.00 ATOM 442 CA LYS 54 126.967 -24.706 4.308 1.00 0.00 ATOM 443 CB LYS 54 128.406 -25.306 4.316 1.00 0.00 ATOM 444 CG LYS 54 128.937 -25.863 5.658 1.00 0.00 ATOM 445 CD LYS 54 128.334 -27.219 6.014 1.00 0.00 ATOM 446 CE LYS 54 128.946 -27.804 7.270 1.00 0.00 ATOM 447 NZ LYS 54 128.396 -29.143 7.559 1.00 0.00 ATOM 448 O LYS 54 125.771 -26.754 3.968 1.00 0.00 ATOM 449 C LYS 54 125.902 -25.730 4.643 1.00 0.00 ATOM 450 N GLY 55 125.119 -25.431 5.652 1.00 0.00 ATOM 451 CA GLY 55 124.133 -26.357 6.124 1.00 0.00 ATOM 452 O GLY 55 122.215 -25.065 5.743 1.00 0.00 ATOM 453 C GLY 55 122.816 -26.092 5.476 1.00 0.00 ATOM 454 N PRO 56 122.320 -27.009 4.629 1.00 0.00 ATOM 455 CA PRO 56 121.087 -26.799 3.867 1.00 0.00 ATOM 456 CB PRO 56 120.913 -28.085 3.058 1.00 0.00 ATOM 457 CG PRO 56 122.263 -28.716 3.047 1.00 0.00 ATOM 458 CD PRO 56 122.914 -28.325 4.339 1.00 0.00 ATOM 459 O PRO 56 118.995 -25.727 4.371 1.00 0.00 ATOM 460 C PRO 56 119.866 -26.512 4.751 1.00 0.00 ATOM 461 N GLN 57 119.819 -27.102 5.948 1.00 0.00 ATOM 462 CA GLN 57 118.715 -26.819 6.862 1.00 0.00 ATOM 463 CB GLN 57 118.651 -27.837 8.048 1.00 0.00 ATOM 464 CG GLN 57 119.857 -27.863 9.000 1.00 0.00 ATOM 465 CD GLN 57 119.829 -26.767 10.059 1.00 0.00 ATOM 466 OE1 GLN 57 118.770 -26.345 10.509 1.00 0.00 ATOM 467 NE2 GLN 57 120.969 -26.283 10.428 1.00 0.00 ATOM 468 O GLN 57 117.755 -24.683 7.386 1.00 0.00 ATOM 469 C GLN 57 118.771 -25.361 7.328 1.00 0.00 ATOM 470 N GLN 58 119.994 -24.869 7.546 1.00 0.00 ATOM 471 CA GLN 58 120.240 -23.506 8.004 1.00 0.00 ATOM 472 CB GLN 58 121.707 -23.351 8.440 1.00 0.00 ATOM 473 CG GLN 58 122.105 -21.967 8.956 1.00 0.00 ATOM 474 CD GLN 58 121.377 -21.557 10.221 1.00 0.00 ATOM 475 OE1 GLN 58 120.321 -20.928 10.175 1.00 0.00 ATOM 476 NE2 GLN 58 121.919 -21.923 11.347 1.00 0.00 ATOM 477 O GLN 58 119.512 -21.401 7.129 1.00 0.00 ATOM 478 C GLN 58 119.910 -22.541 6.885 1.00 0.00 ATOM 479 N ILE 59 120.061 -23.023 5.656 1.00 0.00 ATOM 480 CA ILE 59 119.723 -22.262 4.469 1.00 0.00 ATOM 481 CB ILE 59 119.992 -23.063 3.160 1.00 0.00 ATOM 482 CG1 ILE 59 121.455 -23.545 3.078 1.00 0.00 ATOM 483 CG2 ILE 59 119.591 -22.273 1.921 1.00 0.00 ATOM 484 CD1 ILE 59 122.509 -22.484 3.267 1.00 0.00 ATOM 485 O ILE 59 117.891 -20.749 4.314 1.00 0.00 ATOM 486 C ILE 59 118.251 -21.891 4.520 1.00 0.00 ATOM 487 N HIS 60 117.413 -22.875 4.845 1.00 0.00 ATOM 488 CA HIS 60 115.960 -22.662 4.965 1.00 0.00 ATOM 489 CB HIS 60 115.219 -23.951 5.365 1.00 0.00 ATOM 490 CG HIS 60 115.106 -24.963 4.285 1.00 0.00 ATOM 491 CD2 HIS 60 116.041 -25.688 3.670 1.00 0.00 ATOM 492 ND1 HIS 60 113.915 -25.315 3.711 1.00 0.00 ATOM 493 CE1 HIS 60 114.124 -26.211 2.778 1.00 0.00 ATOM 494 NE2 HIS 60 115.414 -26.456 2.727 1.00 0.00 ATOM 495 O HIS 60 114.903 -20.667 5.723 1.00 0.00 ATOM 496 C HIS 60 115.664 -21.599 5.981 1.00 0.00 ATOM 497 N LEU 61 116.320 -21.724 7.103 1.00 0.00 ATOM 498 CA LEU 61 116.121 -20.857 8.232 1.00 0.00 ATOM 499 CB LEU 61 116.969 -21.333 9.380 1.00 0.00 ATOM 500 CG LEU 61 117.006 -22.823 9.625 1.00 0.00 ATOM 501 CD1 LEU 61 117.930 -23.117 10.755 1.00 0.00 ATOM 502 CD2 LEU 61 115.623 -23.395 9.866 1.00 0.00 ATOM 503 O LEU 61 115.709 -18.530 7.887 1.00 0.00 ATOM 504 C LEU 61 116.535 -19.444 7.886 1.00 0.00 ATOM 505 N LYS 62 117.814 -19.272 7.590 1.00 0.00 ATOM 506 CA LYS 62 118.347 -17.958 7.230 1.00 0.00 ATOM 507 CB LYS 62 119.872 -17.929 7.080 1.00 0.00 ATOM 508 CG LYS 62 120.630 -17.968 8.397 1.00 0.00 ATOM 509 CD LYS 62 122.112 -17.677 8.192 1.00 0.00 ATOM 510 CE LYS 62 122.830 -17.517 9.522 1.00 0.00 ATOM 511 NZ LYS 62 124.248 -17.124 9.359 1.00 0.00 ATOM 512 O LYS 62 117.405 -16.105 6.050 1.00 0.00 ATOM 513 C LYS 62 117.662 -17.314 6.022 1.00 0.00 ATOM 514 N ALA 63 117.346 -18.095 4.986 1.00 0.00 ATOM 515 CA ALA 63 116.661 -17.542 3.815 1.00 0.00 ATOM 516 CB ALA 63 116.525 -18.554 2.672 1.00 0.00 ATOM 517 O ALA 63 114.994 -15.860 3.981 1.00 0.00 ATOM 518 C ALA 63 115.300 -17.013 4.209 1.00 0.00 ATOM 519 N LYS 64 114.509 -17.835 4.859 1.00 0.00 ATOM 520 CA LYS 64 113.172 -17.434 5.279 1.00 0.00 ATOM 521 CB LYS 64 112.378 -18.623 5.742 1.00 0.00 ATOM 522 CG LYS 64 111.863 -19.466 4.591 1.00 0.00 ATOM 523 CD LYS 64 111.248 -20.756 5.066 1.00 0.00 ATOM 524 CE LYS 64 110.452 -21.432 3.961 1.00 0.00 ATOM 525 NZ LYS 64 109.194 -20.716 3.688 1.00 0.00 ATOM 526 O LYS 64 112.246 -15.522 6.399 1.00 0.00 ATOM 527 C LYS 64 113.186 -16.319 6.317 1.00 0.00 ATOM 528 N ALA 65 114.239 -16.256 7.093 1.00 0.00 ATOM 529 CA ALA 65 114.417 -15.174 8.048 1.00 0.00 ATOM 530 CB ALA 65 115.620 -15.433 8.938 1.00 0.00 ATOM 531 O ALA 65 113.855 -12.872 7.587 1.00 0.00 ATOM 532 C ALA 65 114.570 -13.842 7.307 1.00 0.00 ATOM 533 N ILE 66 115.464 -13.822 6.336 1.00 0.00 ATOM 534 CA ILE 66 115.725 -12.631 5.525 1.00 0.00 ATOM 535 CB ILE 66 117.000 -12.842 4.660 1.00 0.00 ATOM 536 CG1 ILE 66 118.210 -13.039 5.573 1.00 0.00 ATOM 537 CG2 ILE 66 117.237 -11.678 3.697 1.00 0.00 ATOM 538 CD1 ILE 66 119.484 -13.380 4.845 1.00 0.00 ATOM 539 O ILE 66 114.131 -11.176 4.451 1.00 0.00 ATOM 540 C ILE 66 114.508 -12.326 4.649 1.00 0.00 ATOM 541 N TYR 67 113.891 -13.375 4.172 1.00 0.00 ATOM 542 CA TYR 67 112.683 -13.310 3.384 1.00 0.00 ATOM 543 CB TYR 67 112.244 -14.736 3.075 1.00 0.00 ATOM 544 CG TYR 67 110.971 -14.865 2.316 1.00 0.00 ATOM 545 CD1 TYR 67 109.853 -15.397 2.914 1.00 0.00 ATOM 546 CD2 TYR 67 110.889 -14.467 1.006 1.00 0.00 ATOM 547 CE1 TYR 67 108.682 -15.534 2.227 1.00 0.00 ATOM 548 CE2 TYR 67 109.724 -14.587 0.299 1.00 0.00 ATOM 549 CZ TYR 67 108.607 -15.132 0.925 1.00 0.00 ATOM 550 OH TYR 67 107.428 -15.283 0.246 1.00 0.00 ATOM 551 O TYR 67 111.161 -11.481 3.687 1.00 0.00 ATOM 552 C TYR 67 111.582 -12.547 4.128 1.00 0.00 ATOM 553 N GLU 68 111.186 -13.053 5.289 1.00 0.00 ATOM 554 CA GLU 68 110.087 -12.466 6.050 1.00 0.00 ATOM 555 CB GLU 68 109.580 -13.418 7.132 1.00 0.00 ATOM 556 CG GLU 68 109.018 -14.721 6.578 1.00 0.00 ATOM 557 CD GLU 68 108.380 -15.589 7.635 1.00 0.00 ATOM 558 OE1 GLU 68 109.076 -16.418 8.259 1.00 0.00 ATOM 559 OE2 GLU 68 107.163 -15.485 7.844 1.00 0.00 ATOM 560 O GLU 68 109.519 -10.323 6.953 1.00 0.00 ATOM 561 C GLU 68 110.417 -11.093 6.636 1.00 0.00 ATOM 562 N LYS 69 111.682 -10.793 6.765 1.00 0.00 ATOM 563 CA LYS 69 112.106 -9.514 7.310 1.00 0.00 ATOM 564 CB LYS 69 113.425 -9.697 8.075 1.00 0.00 ATOM 565 CG LYS 69 114.003 -8.426 8.677 1.00 0.00 ATOM 566 CD LYS 69 115.307 -8.707 9.388 1.00 0.00 ATOM 567 CE LYS 69 115.896 -7.448 9.991 1.00 0.00 ATOM 568 NZ LYS 69 117.195 -7.710 10.621 1.00 0.00 ATOM 569 O LYS 69 112.082 -7.244 6.466 1.00 0.00 ATOM 570 C LYS 69 112.282 -8.446 6.217 1.00 0.00 ATOM 571 N PHE 70 112.573 -8.872 5.013 1.00 0.00 ATOM 572 CA PHE 70 112.990 -7.947 3.982 1.00 0.00 ATOM 573 CB PHE 70 114.483 -8.118 3.683 1.00 0.00 ATOM 574 CG PHE 70 115.438 -7.675 4.752 1.00 0.00 ATOM 575 CD1 PHE 70 116.257 -8.589 5.387 1.00 0.00 ATOM 576 CD2 PHE 70 115.540 -6.338 5.095 1.00 0.00 ATOM 577 CE1 PHE 70 117.160 -8.180 6.344 1.00 0.00 ATOM 578 CE2 PHE 70 116.435 -5.925 6.056 1.00 0.00 ATOM 579 CZ PHE 70 117.249 -6.844 6.679 1.00 0.00 ATOM 580 O PHE 70 111.616 -7.193 2.190 1.00 0.00 ATOM 581 C PHE 70 112.220 -8.128 2.695 1.00 0.00 ATOM 582 N ILE 71 112.259 -9.335 2.169 1.00 0.00 ATOM 583 CA ILE 71 111.640 -9.673 0.877 1.00 0.00 ATOM 584 CB ILE 71 111.965 -11.154 0.499 1.00 0.00 ATOM 585 CG1 ILE 71 113.476 -11.355 0.451 1.00 0.00 ATOM 586 CG2 ILE 71 111.331 -11.598 -0.829 1.00 0.00 ATOM 587 CD1 ILE 71 114.183 -10.443 -0.528 1.00 0.00 ATOM 588 O ILE 71 109.462 -9.206 -0.068 1.00 0.00 ATOM 589 C ILE 71 110.128 -9.464 0.945 1.00 0.00 ATOM 590 N GLN 72 109.610 -9.562 2.144 1.00 0.00 ATOM 591 CA GLN 72 108.210 -9.356 2.382 1.00 0.00 ATOM 592 CB GLN 72 107.818 -9.853 3.748 1.00 0.00 ATOM 593 CG GLN 72 107.788 -11.322 3.843 1.00 0.00 ATOM 594 CD GLN 72 106.513 -11.939 3.342 1.00 0.00 ATOM 595 OE1 GLN 72 105.443 -11.354 3.426 1.00 0.00 ATOM 596 NE2 GLN 72 106.615 -13.113 2.816 1.00 0.00 ATOM 597 O GLN 72 108.625 -7.018 2.567 1.00 0.00 ATOM 598 C GLN 72 107.838 -7.919 2.278 1.00 0.00 ATOM 599 N THR 73 106.653 -7.731 1.885 1.00 0.00 ATOM 600 CA THR 73 106.050 -6.440 1.843 1.00 0.00 ATOM 601 CB THR 73 104.875 -6.464 0.870 1.00 0.00 ATOM 602 CG2 THR 73 104.352 -5.073 0.650 1.00 0.00 ATOM 603 OG1 THR 73 105.307 -7.018 -0.377 1.00 0.00 ATOM 604 O THR 73 105.791 -5.163 3.889 1.00 0.00 ATOM 605 C THR 73 105.539 -6.198 3.249 1.00 0.00 ATOM 606 N ASP 74 104.851 -7.199 3.738 1.00 0.00 ATOM 607 CA ASP 74 104.418 -7.245 5.105 1.00 0.00 ATOM 608 CB ASP 74 103.198 -8.158 5.260 1.00 0.00 ATOM 609 CG ASP 74 102.659 -8.188 6.668 1.00 0.00 ATOM 610 OD1 ASP 74 102.976 -9.122 7.438 1.00 0.00 ATOM 611 OD2 ASP 74 101.873 -7.288 7.026 1.00 0.00 ATOM 612 O ASP 74 105.711 -8.957 6.181 1.00 0.00 ATOM 613 C ASP 74 105.587 -7.766 5.923 1.00 0.00 ATOM 614 N ALA 75 106.499 -6.881 6.206 1.00 0.00 ATOM 615 CA ALA 75 107.714 -7.205 6.892 1.00 0.00 ATOM 616 CB ALA 75 108.852 -7.336 5.881 1.00 0.00 ATOM 617 O ALA 75 107.552 -4.990 7.720 1.00 0.00 ATOM 618 C ALA 75 108.039 -6.108 7.871 1.00 0.00 ATOM 619 N PRO 76 108.874 -6.397 8.887 1.00 0.00 ATOM 620 CA PRO 76 109.294 -5.396 9.876 1.00 0.00 ATOM 621 CB PRO 76 110.081 -6.218 10.903 1.00 0.00 ATOM 622 CG PRO 76 110.535 -7.421 10.158 1.00 0.00 ATOM 623 CD PRO 76 109.448 -7.729 9.181 1.00 0.00 ATOM 624 O PRO 76 110.376 -3.246 9.798 1.00 0.00 ATOM 625 C PRO 76 110.200 -4.335 9.251 1.00 0.00 ATOM 626 N LYS 77 110.787 -4.673 8.117 1.00 0.00 ATOM 627 CA LYS 77 111.652 -3.766 7.403 1.00 0.00 ATOM 628 CB LYS 77 113.078 -4.318 7.299 1.00 0.00 ATOM 629 CG LYS 77 113.852 -4.273 8.602 1.00 0.00 ATOM 630 CD LYS 77 114.080 -2.834 9.023 1.00 0.00 ATOM 631 CE LYS 77 114.866 -2.738 10.307 1.00 0.00 ATOM 632 NZ LYS 77 115.187 -1.337 10.637 1.00 0.00 ATOM 633 O LYS 77 110.795 -2.289 5.746 1.00 0.00 ATOM 634 C LYS 77 111.096 -3.456 6.036 1.00 0.00 ATOM 635 N GLU 78 110.946 -4.509 5.216 1.00 0.00 ATOM 636 CA GLU 78 110.436 -4.413 3.834 1.00 0.00 ATOM 637 CB GLU 78 109.074 -3.708 3.763 1.00 0.00 ATOM 638 CG GLU 78 108.581 -3.473 2.346 1.00 0.00 ATOM 639 CD GLU 78 107.380 -2.587 2.292 1.00 0.00 ATOM 640 OE1 GLU 78 106.491 -2.826 1.480 1.00 0.00 ATOM 641 OE2 GLU 78 107.320 -1.599 3.073 1.00 0.00 ATOM 642 O GLU 78 111.893 -2.586 3.151 1.00 0.00 ATOM 643 C GLU 78 111.446 -3.713 2.899 1.00 0.00 ATOM 644 N VAL 79 111.781 -4.370 1.826 1.00 0.00 ATOM 645 CA VAL 79 112.732 -3.833 0.862 1.00 0.00 ATOM 646 CB VAL 79 113.671 -4.965 0.319 1.00 0.00 ATOM 647 CG1 VAL 79 114.748 -4.440 -0.608 1.00 0.00 ATOM 648 CG2 VAL 79 114.313 -5.697 1.442 1.00 0.00 ATOM 649 O VAL 79 110.835 -3.629 -0.593 1.00 0.00 ATOM 650 C VAL 79 111.963 -3.218 -0.300 1.00 0.00 ATOM 651 N ASN 80 112.559 -2.245 -0.959 1.00 0.00 ATOM 652 CA ASN 80 111.988 -1.607 -2.162 1.00 0.00 ATOM 653 CB ASN 80 112.517 -0.166 -2.295 1.00 0.00 ATOM 654 CG ASN 80 112.271 0.720 -1.070 1.00 0.00 ATOM 655 ND2 ASN 80 111.194 0.505 -0.356 1.00 0.00 ATOM 656 OD1 ASN 80 113.060 1.618 -0.784 1.00 0.00 ATOM 657 O ASN 80 112.678 -1.902 -4.478 1.00 0.00 ATOM 658 C ASN 80 112.431 -2.427 -3.386 1.00 0.00 ATOM 659 N LEU 81 112.472 -3.718 -3.180 1.00 0.00 ATOM 660 CA LEU 81 112.964 -4.688 -4.118 1.00 0.00 ATOM 661 CB LEU 81 113.139 -6.027 -3.389 1.00 0.00 ATOM 662 CG LEU 81 113.620 -7.218 -4.194 1.00 0.00 ATOM 663 CD1 LEU 81 115.068 -7.051 -4.532 1.00 0.00 ATOM 664 CD2 LEU 81 113.382 -8.511 -3.438 1.00 0.00 ATOM 665 O LEU 81 110.812 -4.780 -5.171 1.00 0.00 ATOM 666 C LEU 81 112.037 -4.859 -5.303 1.00 0.00 ATOM 667 N ASP 82 112.660 -5.049 -6.447 1.00 0.00 ATOM 668 CA ASP 82 112.007 -5.358 -7.709 1.00 0.00 ATOM 669 CB ASP 82 113.068 -5.746 -8.738 1.00 0.00 ATOM 670 CG ASP 82 112.486 -6.291 -10.012 1.00 0.00 ATOM 671 OD1 ASP 82 112.510 -7.530 -10.196 1.00 0.00 ATOM 672 OD2 ASP 82 111.984 -5.498 -10.836 1.00 0.00 ATOM 673 O ASP 82 111.317 -7.583 -7.054 1.00 0.00 ATOM 674 C ASP 82 110.989 -6.484 -7.555 1.00 0.00 ATOM 675 N PHE 83 109.772 -6.196 -7.976 1.00 0.00 ATOM 676 CA PHE 83 108.647 -7.099 -7.882 1.00 0.00 ATOM 677 CB PHE 83 107.369 -6.439 -8.423 1.00 0.00 ATOM 678 CG PHE 83 106.141 -7.294 -8.277 1.00 0.00 ATOM 679 CD1 PHE 83 105.518 -7.419 -7.049 1.00 0.00 ATOM 680 CD2 PHE 83 105.613 -7.973 -9.367 1.00 0.00 ATOM 681 CE1 PHE 83 104.396 -8.205 -6.904 1.00 0.00 ATOM 682 CE2 PHE 83 104.490 -8.759 -9.227 1.00 0.00 ATOM 683 CZ PHE 83 103.881 -8.876 -7.995 1.00 0.00 ATOM 684 O PHE 83 108.545 -9.476 -8.018 1.00 0.00 ATOM 685 C PHE 83 108.901 -8.440 -8.563 1.00 0.00 ATOM 686 N HIS 84 109.533 -8.439 -9.726 1.00 0.00 ATOM 687 CA HIS 84 109.786 -9.706 -10.409 1.00 0.00 ATOM 688 CB HIS 84 110.224 -9.517 -11.878 1.00 0.00 ATOM 689 CG HIS 84 110.510 -10.819 -12.595 1.00 0.00 ATOM 690 CD2 HIS 84 111.683 -11.417 -12.912 1.00 0.00 ATOM 691 ND1 HIS 84 109.529 -11.689 -13.002 1.00 0.00 ATOM 692 CE1 HIS 84 110.082 -12.760 -13.523 1.00 0.00 ATOM 693 NE2 HIS 84 111.385 -12.616 -13.483 1.00 0.00 ATOM 694 O HIS 84 110.637 -11.771 -9.530 1.00 0.00 ATOM 695 C HIS 84 110.786 -10.555 -9.622 1.00 0.00 ATOM 696 N THR 85 111.772 -9.909 -9.049 1.00 0.00 ATOM 697 CA THR 85 112.755 -10.587 -8.235 1.00 0.00 ATOM 698 CB THR 85 113.864 -9.617 -7.784 1.00 0.00 ATOM 699 CG2 THR 85 114.962 -10.358 -7.012 1.00 0.00 ATOM 700 OG1 THR 85 114.431 -8.986 -8.942 1.00 0.00 ATOM 701 O THR 85 112.199 -12.431 -6.790 1.00 0.00 ATOM 702 C THR 85 112.088 -11.219 -7.009 1.00 0.00 ATOM 703 N LYS 86 111.346 -10.407 -6.248 1.00 0.00 ATOM 704 CA LYS 86 110.678 -10.887 -5.041 1.00 0.00 ATOM 705 CB LYS 86 110.051 -9.737 -4.238 1.00 0.00 ATOM 706 CG LYS 86 108.958 -8.981 -4.961 1.00 0.00 ATOM 707 CD LYS 86 108.446 -7.804 -4.164 1.00 0.00 ATOM 708 CE LYS 86 107.772 -8.227 -2.870 1.00 0.00 ATOM 709 NZ LYS 86 107.273 -7.054 -2.145 1.00 0.00 ATOM 710 O LYS 86 109.448 -12.877 -4.594 1.00 0.00 ATOM 711 C LYS 86 109.649 -11.959 -5.372 1.00 0.00 ATOM 712 N GLU 87 109.029 -11.847 -6.544 1.00 0.00 ATOM 713 CA GLU 87 108.091 -12.848 -7.026 1.00 0.00 ATOM 714 CB GLU 87 107.549 -12.479 -8.408 1.00 0.00 ATOM 715 CG GLU 87 106.643 -13.538 -9.006 1.00 0.00 ATOM 716 CD GLU 87 106.123 -13.164 -10.357 1.00 0.00 ATOM 717 OE1 GLU 87 106.812 -13.433 -11.370 1.00 0.00 ATOM 718 OE2 GLU 87 105.006 -12.608 -10.439 1.00 0.00 ATOM 719 O GLU 87 108.301 -15.172 -6.480 1.00 0.00 ATOM 720 C GLU 87 108.769 -14.206 -7.085 1.00 0.00 ATOM 721 N VAL 88 109.897 -14.273 -7.754 1.00 0.00 ATOM 722 CA VAL 88 110.609 -15.526 -7.885 1.00 0.00 ATOM 723 CB VAL 88 111.800 -15.425 -8.869 1.00 0.00 ATOM 724 CG1 VAL 88 112.420 -16.791 -9.082 1.00 0.00 ATOM 725 CG2 VAL 88 111.345 -14.837 -10.203 1.00 0.00 ATOM 726 O VAL 88 111.016 -17.225 -6.214 1.00 0.00 ATOM 727 C VAL 88 111.073 -16.025 -6.503 1.00 0.00 ATOM 728 N ILE 89 111.455 -15.088 -5.636 1.00 0.00 ATOM 729 CA ILE 89 111.851 -15.425 -4.271 1.00 0.00 ATOM 730 CB ILE 89 112.360 -14.190 -3.471 1.00 0.00 ATOM 731 CG1 ILE 89 113.532 -13.521 -4.196 1.00 0.00 ATOM 732 CG2 ILE 89 112.777 -14.596 -2.049 1.00 0.00 ATOM 733 CD1 ILE 89 114.046 -12.277 -3.502 1.00 0.00 ATOM 734 O ILE 89 110.796 -17.125 -2.976 1.00 0.00 ATOM 735 C ILE 89 110.668 -16.052 -3.522 1.00 0.00 ATOM 736 N THR 90 109.508 -15.396 -3.561 1.00 0.00 ATOM 737 CA THR 90 108.312 -15.884 -2.857 1.00 0.00 ATOM 738 CB THR 90 107.101 -14.898 -2.987 1.00 0.00 ATOM 739 CG2 THR 90 107.398 -13.549 -2.342 1.00 0.00 ATOM 740 OG1 THR 90 106.757 -14.683 -4.365 1.00 0.00 ATOM 741 O THR 90 107.376 -18.104 -2.543 1.00 0.00 ATOM 742 C THR 90 107.899 -17.304 -3.322 1.00 0.00 ATOM 743 N ASN 91 108.187 -17.623 -4.579 1.00 0.00 ATOM 744 CA ASN 91 107.834 -18.931 -5.134 1.00 0.00 ATOM 745 CB ASN 91 107.566 -18.866 -6.646 1.00 0.00 ATOM 746 CG ASN 91 106.286 -18.151 -7.013 1.00 0.00 ATOM 747 ND2 ASN 91 106.372 -16.881 -7.266 1.00 0.00 ATOM 748 OD1 ASN 91 105.220 -18.760 -7.081 1.00 0.00 ATOM 749 O ASN 91 108.605 -21.170 -4.858 1.00 0.00 ATOM 750 C ASN 91 108.897 -19.981 -4.870 1.00 0.00 ATOM 751 N SER 92 110.115 -19.562 -4.651 1.00 0.00 ATOM 752 CA SER 92 111.188 -20.512 -4.506 1.00 0.00 ATOM 753 CB SER 92 112.214 -20.313 -5.640 1.00 0.00 ATOM 754 OG SER 92 113.236 -21.315 -5.622 1.00 0.00 ATOM 755 O SER 92 112.882 -21.046 -2.905 1.00 0.00 ATOM 756 C SER 92 111.853 -20.428 -3.129 1.00 0.00 ATOM 757 N ILE 93 111.247 -19.716 -2.202 1.00 0.00 ATOM 758 CA ILE 93 111.815 -19.588 -0.855 1.00 0.00 ATOM 759 CB ILE 93 111.219 -18.371 -0.075 1.00 0.00 ATOM 760 CG1 ILE 93 111.960 -18.139 1.254 1.00 0.00 ATOM 761 CG2 ILE 93 109.731 -18.549 0.161 1.00 0.00 ATOM 762 CD1 ILE 93 113.412 -17.703 1.096 1.00 0.00 ATOM 763 O ILE 93 112.253 -21.216 0.879 1.00 0.00 ATOM 764 C ILE 93 111.577 -20.897 -0.095 1.00 0.00 ATOM 765 N THR 94 110.586 -21.639 -0.564 1.00 0.00 ATOM 766 CA THR 94 110.312 -22.970 -0.087 1.00 0.00 ATOM 767 CB THR 94 109.009 -23.535 -0.750 1.00 0.00 ATOM 768 CG2 THR 94 109.103 -23.522 -2.275 1.00 0.00 ATOM 769 OG1 THR 94 108.728 -24.866 -0.289 1.00 0.00 ATOM 770 O THR 94 111.807 -24.817 0.390 1.00 0.00 ATOM 771 C THR 94 111.523 -23.893 -0.373 1.00 0.00 ATOM 772 N GLN 95 112.274 -23.576 -1.431 1.00 0.00 ATOM 773 CA GLN 95 113.441 -24.335 -1.835 1.00 0.00 ATOM 774 CB GLN 95 113.225 -24.979 -3.208 1.00 0.00 ATOM 775 CG GLN 95 112.058 -25.939 -3.304 1.00 0.00 ATOM 776 CD GLN 95 111.906 -26.494 -4.702 1.00 0.00 ATOM 777 OE1 GLN 95 112.244 -25.834 -5.687 1.00 0.00 ATOM 778 NE2 GLN 95 111.464 -27.709 -4.813 1.00 0.00 ATOM 779 O GLN 95 115.108 -23.026 -3.019 1.00 0.00 ATOM 780 C GLN 95 114.651 -23.391 -1.912 1.00 0.00 ATOM 781 N PRO 96 115.151 -22.928 -0.767 1.00 0.00 ATOM 782 CA PRO 96 116.231 -21.976 -0.730 1.00 0.00 ATOM 783 CB PRO 96 116.231 -21.487 0.710 1.00 0.00 ATOM 784 CG PRO 96 115.704 -22.631 1.479 1.00 0.00 ATOM 785 CD PRO 96 114.701 -23.288 0.586 1.00 0.00 ATOM 786 O PRO 96 117.861 -23.774 -0.884 1.00 0.00 ATOM 787 C PRO 96 117.583 -22.573 -1.099 1.00 0.00 ATOM 788 N THR 97 118.383 -21.726 -1.627 1.00 0.00 ATOM 789 CA THR 97 119.715 -21.982 -2.053 1.00 0.00 ATOM 790 CB THR 97 119.838 -21.729 -3.567 1.00 0.00 ATOM 791 CG2 THR 97 119.263 -22.892 -4.332 1.00 0.00 ATOM 792 OG1 THR 97 119.137 -20.498 -3.929 1.00 0.00 ATOM 793 O THR 97 120.098 -20.145 -0.643 1.00 0.00 ATOM 794 C THR 97 120.607 -21.062 -1.286 1.00 0.00 ATOM 795 N LEU 98 121.905 -21.280 -1.392 1.00 0.00 ATOM 796 CA LEU 98 122.946 -20.578 -0.613 1.00 0.00 ATOM 797 CB LEU 98 124.310 -20.914 -1.192 1.00 0.00 ATOM 798 CG LEU 98 125.428 -21.014 -0.185 1.00 0.00 ATOM 799 CD1 LEU 98 125.099 -22.123 0.796 1.00 0.00 ATOM 800 CD2 LEU 98 126.740 -21.299 -0.887 1.00 0.00 ATOM 801 O LEU 98 123.039 -18.410 0.420 1.00 0.00 ATOM 802 C LEU 98 122.732 -19.056 -0.566 1.00 0.00 ATOM 803 N HIS 99 122.249 -18.503 -1.647 1.00 0.00 ATOM 804 CA HIS 99 121.785 -17.146 -1.671 1.00 0.00 ATOM 805 CB HIS 99 122.890 -16.029 -1.692 1.00 0.00 ATOM 806 CG HIS 99 123.857 -16.000 -2.847 1.00 0.00 ATOM 807 CD2 HIS 99 124.031 -16.822 -3.908 1.00 0.00 ATOM 808 ND1 HIS 99 124.799 -15.007 -2.989 1.00 0.00 ATOM 809 CE1 HIS 99 125.495 -15.213 -4.077 1.00 0.00 ATOM 810 NE2 HIS 99 125.052 -16.303 -4.650 1.00 0.00 ATOM 811 O HIS 99 120.910 -16.558 -3.773 1.00 0.00 ATOM 812 C HIS 99 120.695 -16.970 -2.669 1.00 0.00 ATOM 813 N SER 100 119.494 -17.358 -2.251 1.00 0.00 ATOM 814 CA SER 100 118.265 -17.230 -3.043 1.00 0.00 ATOM 815 CB SER 100 117.129 -17.920 -2.296 1.00 0.00 ATOM 816 OG SER 100 117.456 -19.267 -2.133 1.00 0.00 ATOM 817 O SER 100 117.058 -15.451 -4.123 1.00 0.00 ATOM 818 C SER 100 117.926 -15.769 -3.317 1.00 0.00 ATOM 819 N PHE 101 118.634 -14.901 -2.652 1.00 0.00 ATOM 820 CA PHE 101 118.470 -13.494 -2.808 1.00 0.00 ATOM 821 CB PHE 101 118.606 -12.812 -1.452 1.00 0.00 ATOM 822 CG PHE 101 117.849 -13.496 -0.357 1.00 0.00 ATOM 823 CD1 PHE 101 118.502 -14.376 0.489 1.00 0.00 ATOM 824 CD2 PHE 101 116.498 -13.282 -0.175 1.00 0.00 ATOM 825 CE1 PHE 101 117.827 -15.021 1.486 1.00 0.00 ATOM 826 CE2 PHE 101 115.820 -13.933 0.833 1.00 0.00 ATOM 827 CZ PHE 101 116.488 -14.796 1.655 1.00 0.00 ATOM 828 O PHE 101 119.741 -11.789 -3.852 1.00 0.00 ATOM 829 C PHE 101 119.553 -12.974 -3.744 1.00 0.00 ATOM 830 N ASP 102 120.281 -13.894 -4.395 1.00 0.00 ATOM 831 CA ASP 102 121.355 -13.534 -5.371 1.00 0.00 ATOM 832 CB ASP 102 121.930 -14.776 -6.111 1.00 0.00 ATOM 833 CG ASP 102 120.951 -15.476 -7.042 1.00 0.00 ATOM 834 OD1 ASP 102 120.062 -16.226 -6.559 1.00 0.00 ATOM 835 OD2 ASP 102 121.058 -15.301 -8.269 1.00 0.00 ATOM 836 O ASP 102 121.675 -11.491 -6.609 1.00 0.00 ATOM 837 C ASP 102 120.928 -12.447 -6.385 1.00 0.00 ATOM 838 N ALA 103 119.728 -12.558 -6.956 1.00 0.00 ATOM 839 CA ALA 103 119.250 -11.548 -7.907 1.00 0.00 ATOM 840 CB ALA 103 118.047 -12.057 -8.695 1.00 0.00 ATOM 841 O ALA 103 119.098 -9.155 -7.663 1.00 0.00 ATOM 842 C ALA 103 118.880 -10.268 -7.177 1.00 0.00 ATOM 843 N ALA 104 118.371 -10.439 -5.980 1.00 0.00 ATOM 844 CA ALA 104 117.912 -9.342 -5.158 1.00 0.00 ATOM 845 CB ALA 104 117.007 -9.868 -4.062 1.00 0.00 ATOM 846 O ALA 104 118.961 -7.340 -4.350 1.00 0.00 ATOM 847 C ALA 104 119.085 -8.538 -4.606 1.00 0.00 ATOM 848 N GLN 105 120.222 -9.198 -4.473 1.00 0.00 ATOM 849 CA GLN 105 121.469 -8.585 -4.050 1.00 0.00 ATOM 850 CB GLN 105 122.564 -9.690 -3.958 1.00 0.00 ATOM 851 CG GLN 105 123.953 -9.280 -3.427 1.00 0.00 ATOM 852 CD GLN 105 124.911 -8.717 -4.467 1.00 0.00 ATOM 853 OE1 GLN 105 125.650 -9.467 -5.092 1.00 0.00 ATOM 854 NE2 GLN 105 124.948 -7.421 -4.627 1.00 0.00 ATOM 855 O GLN 105 122.184 -6.369 -4.654 1.00 0.00 ATOM 856 C GLN 105 121.828 -7.486 -5.042 1.00 0.00 ATOM 857 N SER 106 121.669 -7.791 -6.310 1.00 0.00 ATOM 858 CA SER 106 121.937 -6.855 -7.368 1.00 0.00 ATOM 859 CB SER 106 121.973 -7.606 -8.685 1.00 0.00 ATOM 860 OG SER 106 122.886 -8.694 -8.609 1.00 0.00 ATOM 861 O SER 106 121.183 -4.577 -7.638 1.00 0.00 ATOM 862 C SER 106 120.867 -5.745 -7.399 1.00 0.00 ATOM 863 N ARG 107 119.616 -6.113 -7.101 1.00 0.00 ATOM 864 CA ARG 107 118.505 -5.159 -7.093 1.00 0.00 ATOM 865 CB ARG 107 117.179 -5.854 -6.824 1.00 0.00 ATOM 866 CG ARG 107 116.798 -6.931 -7.816 1.00 0.00 ATOM 867 CD ARG 107 116.677 -6.393 -9.225 1.00 0.00 ATOM 868 NE ARG 107 116.341 -7.454 -10.174 1.00 0.00 ATOM 869 CZ ARG 107 116.525 -7.398 -11.494 1.00 0.00 ATOM 870 NH1 ARG 107 116.828 -6.251 -12.082 1.00 0.00 ATOM 871 NH2 ARG 107 116.326 -8.467 -12.228 1.00 0.00 ATOM 872 O ARG 107 118.625 -2.902 -6.320 1.00 0.00 ATOM 873 C ARG 107 118.725 -4.091 -6.043 1.00 0.00 ATOM 874 N VAL 108 119.068 -4.517 -4.852 1.00 0.00 ATOM 875 CA VAL 108 119.289 -3.595 -3.751 1.00 0.00 ATOM 876 CB VAL 108 119.303 -4.338 -2.402 1.00 0.00 ATOM 877 CG1 VAL 108 119.532 -3.379 -1.258 1.00 0.00 ATOM 878 CG2 VAL 108 117.980 -5.051 -2.215 1.00 0.00 ATOM 879 O VAL 108 120.658 -1.612 -3.600 1.00 0.00 ATOM 880 C VAL 108 120.570 -2.785 -3.975 1.00 0.00 ATOM 881 N TYR 109 121.537 -3.410 -4.613 1.00 0.00 ATOM 882 CA TYR 109 122.759 -2.741 -5.022 1.00 0.00 ATOM 883 CB TYR 109 123.699 -3.774 -5.689 1.00 0.00 ATOM 884 CG TYR 109 124.850 -3.234 -6.533 1.00 0.00 ATOM 885 CD1 TYR 109 126.113 -3.064 -5.999 1.00 0.00 ATOM 886 CD2 TYR 109 124.665 -2.918 -7.878 1.00 0.00 ATOM 887 CE1 TYR 109 127.161 -2.597 -6.772 1.00 0.00 ATOM 888 CE2 TYR 109 125.701 -2.447 -8.651 1.00 0.00 ATOM 889 CZ TYR 109 126.945 -2.289 -8.096 1.00 0.00 ATOM 890 OH TYR 109 127.985 -1.827 -8.871 1.00 0.00 ATOM 891 O TYR 109 122.833 -0.429 -5.693 1.00 0.00 ATOM 892 C TYR 109 122.425 -1.559 -5.950 1.00 0.00 ATOM 893 N GLN 110 121.629 -1.811 -6.985 1.00 0.00 ATOM 894 CA GLN 110 121.257 -0.753 -7.917 1.00 0.00 ATOM 895 CB GLN 110 120.731 -1.321 -9.257 1.00 0.00 ATOM 896 CG GLN 110 119.464 -2.169 -9.197 1.00 0.00 ATOM 897 CD GLN 110 118.190 -1.396 -9.494 1.00 0.00 ATOM 898 OE1 GLN 110 117.788 -1.268 -10.645 1.00 0.00 ATOM 899 NE2 GLN 110 117.518 -0.939 -8.484 1.00 0.00 ATOM 900 O GLN 110 120.342 1.440 -7.603 1.00 0.00 ATOM 901 C GLN 110 120.315 0.259 -7.266 1.00 0.00 ATOM 902 N LEU 111 119.492 -0.214 -6.317 1.00 0.00 ATOM 903 CA LEU 111 118.627 0.676 -5.508 1.00 0.00 ATOM 904 CB LEU 111 117.854 -0.092 -4.420 1.00 0.00 ATOM 905 CG LEU 111 116.716 -1.002 -4.854 1.00 0.00 ATOM 906 CD1 LEU 111 116.150 -1.724 -3.636 1.00 0.00 ATOM 907 CD2 LEU 111 115.622 -0.194 -5.541 1.00 0.00 ATOM 908 O LEU 111 119.252 2.925 -4.993 1.00 0.00 ATOM 909 C LEU 111 119.465 1.730 -4.816 1.00 0.00 ATOM 910 N MET 112 120.441 1.273 -4.051 1.00 0.00 ATOM 911 CA MET 112 121.313 2.161 -3.298 1.00 0.00 ATOM 912 CB MET 112 122.200 1.390 -2.330 1.00 0.00 ATOM 913 CG MET 112 121.455 0.761 -1.168 1.00 0.00 ATOM 914 SD MET 112 122.536 -0.184 -0.084 1.00 0.00 ATOM 915 CE MET 112 123.115 -1.434 -1.215 1.00 0.00 ATOM 916 O MET 112 122.497 4.133 -3.851 1.00 0.00 ATOM 917 C MET 112 122.156 3.023 -4.206 1.00 0.00 ATOM 918 N GLU 113 122.474 2.512 -5.375 1.00 0.00 ATOM 919 CA GLU 113 123.254 3.240 -6.358 1.00 0.00 ATOM 920 CB GLU 113 123.564 2.299 -7.557 1.00 0.00 ATOM 921 CG GLU 113 124.579 2.792 -8.609 1.00 0.00 ATOM 922 CD GLU 113 124.127 3.985 -9.426 1.00 0.00 ATOM 923 OE1 GLU 113 124.801 5.025 -9.404 1.00 0.00 ATOM 924 OE2 GLU 113 123.087 3.903 -10.107 1.00 0.00 ATOM 925 O GLU 113 122.855 5.625 -6.471 1.00 0.00 ATOM 926 C GLU 113 122.476 4.494 -6.800 1.00 0.00 ATOM 927 N GLN 114 121.357 4.276 -7.456 1.00 0.00 ATOM 928 CA GLN 114 120.576 5.359 -8.036 1.00 0.00 ATOM 929 CB GLN 114 119.512 4.800 -8.992 1.00 0.00 ATOM 930 CG GLN 114 118.520 3.843 -8.345 1.00 0.00 ATOM 931 CD GLN 114 117.629 3.169 -9.356 1.00 0.00 ATOM 932 OE1 GLN 114 116.550 3.664 -9.693 1.00 0.00 ATOM 933 NE2 GLN 114 118.075 2.056 -9.869 1.00 0.00 ATOM 934 O GLN 114 119.756 7.455 -7.225 1.00 0.00 ATOM 935 C GLN 114 119.953 6.271 -6.982 1.00 0.00 ATOM 936 N ASP 115 119.667 5.729 -5.827 1.00 0.00 ATOM 937 CA ASP 115 119.032 6.505 -4.771 1.00 0.00 ATOM 938 CB ASP 115 118.107 5.625 -3.930 1.00 0.00 ATOM 939 CG ASP 115 117.485 6.358 -2.756 1.00 0.00 ATOM 940 OD1 ASP 115 116.354 6.866 -2.895 1.00 0.00 ATOM 941 OD2 ASP 115 118.112 6.415 -1.665 1.00 0.00 ATOM 942 O ASP 115 119.991 8.388 -3.663 1.00 0.00 ATOM 943 C ASP 115 120.033 7.181 -3.856 1.00 0.00 ATOM 944 N SER 116 120.924 6.412 -3.293 1.00 0.00 ATOM 945 CA SER 116 121.778 6.919 -2.255 1.00 0.00 ATOM 946 CB SER 116 121.823 5.914 -1.111 1.00 0.00 ATOM 947 OG SER 116 120.509 5.578 -0.678 1.00 0.00 ATOM 948 O SER 116 123.764 8.229 -2.242 1.00 0.00 ATOM 949 C SER 116 123.198 7.281 -2.731 1.00 0.00 ATOM 950 N TYR 117 123.742 6.558 -3.702 1.00 0.00 ATOM 951 CA TYR 117 125.137 6.754 -4.149 1.00 0.00 ATOM 952 CB TYR 117 125.526 5.639 -5.116 1.00 0.00 ATOM 953 CG TYR 117 126.850 5.789 -5.834 1.00 0.00 ATOM 954 CD1 TYR 117 128.053 5.923 -5.156 1.00 0.00 ATOM 955 CD2 TYR 117 126.882 5.756 -7.210 1.00 0.00 ATOM 956 CE1 TYR 117 129.245 6.024 -5.852 1.00 0.00 ATOM 957 CE2 TYR 117 128.056 5.858 -7.902 1.00 0.00 ATOM 958 CZ TYR 117 129.229 5.992 -7.231 1.00 0.00 ATOM 959 OH TYR 117 130.400 6.077 -7.939 1.00 0.00 ATOM 960 O TYR 117 126.396 8.756 -4.523 1.00 0.00 ATOM 961 C TYR 117 125.363 8.131 -4.750 1.00 0.00 ATOM 962 N THR 118 124.395 8.600 -5.464 1.00 0.00 ATOM 963 CA THR 118 124.424 9.903 -6.086 1.00 0.00 ATOM 964 CB THR 118 123.101 10.060 -6.836 1.00 0.00 ATOM 965 CG2 THR 118 123.131 9.276 -8.133 1.00 0.00 ATOM 966 OG1 THR 118 122.059 9.524 -5.996 1.00 0.00 ATOM 967 O THR 118 125.557 11.828 -5.014 1.00 0.00 ATOM 968 C THR 118 124.586 11.014 -5.014 1.00 0.00 ATOM 969 N ARG 119 123.685 11.004 -4.078 1.00 0.00 ATOM 970 CA ARG 119 123.703 11.948 -2.996 1.00 0.00 ATOM 971 CB ARG 119 122.323 12.059 -2.349 1.00 0.00 ATOM 972 CG ARG 119 121.675 10.735 -2.029 1.00 0.00 ATOM 973 CD ARG 119 120.275 10.926 -1.502 1.00 0.00 ATOM 974 NE ARG 119 119.643 9.650 -1.166 1.00 0.00 ATOM 975 CZ ARG 119 119.317 9.285 0.073 1.00 0.00 ATOM 976 NH1 ARG 119 119.561 10.107 1.076 1.00 0.00 ATOM 977 NH2 ARG 119 118.732 8.123 0.306 1.00 0.00 ATOM 978 O ARG 119 125.317 12.541 -1.324 1.00 0.00 ATOM 979 C ARG 119 124.843 11.652 -2.006 1.00 0.00 ATOM 980 N PHE 120 125.296 10.403 -1.968 1.00 0.00 ATOM 981 CA PHE 120 126.487 10.038 -1.208 1.00 0.00 ATOM 982 CB PHE 120 126.722 8.508 -1.200 1.00 0.00 ATOM 983 CG PHE 120 128.100 8.085 -0.732 1.00 0.00 ATOM 984 CD1 PHE 120 129.069 7.738 -1.663 1.00 0.00 ATOM 985 CD2 PHE 120 128.436 8.054 0.617 1.00 0.00 ATOM 986 CE1 PHE 120 130.332 7.371 -1.267 1.00 0.00 ATOM 987 CE2 PHE 120 129.712 7.677 1.015 1.00 0.00 ATOM 988 CZ PHE 120 130.654 7.339 0.070 1.00 0.00 ATOM 989 O PHE 120 128.509 11.268 -1.052 1.00 0.00 ATOM 990 C PHE 120 127.689 10.759 -1.783 1.00 0.00 ATOM 991 N LEU 121 127.762 10.833 -3.090 1.00 0.00 ATOM 992 CA LEU 121 128.844 11.547 -3.746 1.00 0.00 ATOM 993 CB LEU 121 128.811 11.336 -5.262 1.00 0.00 ATOM 994 CG LEU 121 129.058 9.898 -5.714 1.00 0.00 ATOM 995 CD1 LEU 121 128.953 9.774 -7.225 1.00 0.00 ATOM 996 CD2 LEU 121 130.421 9.432 -5.233 1.00 0.00 ATOM 997 O LEU 121 129.851 13.676 -3.345 1.00 0.00 ATOM 998 C LEU 121 128.819 13.022 -3.385 1.00 0.00 ATOM 999 N LYS 122 127.644 13.538 -3.108 1.00 0.00 ATOM 1000 CA LYS 122 127.533 14.924 -2.669 1.00 0.00 ATOM 1001 CB LYS 122 126.386 15.619 -3.442 1.00 0.00 ATOM 1002 CG LYS 122 126.243 17.129 -3.210 1.00 0.00 ATOM 1003 CD LYS 122 127.538 17.898 -3.497 1.00 0.00 ATOM 1004 CE LYS 122 127.992 17.763 -4.939 1.00 0.00 ATOM 1005 NZ LYS 122 129.217 18.546 -5.196 1.00 0.00 ATOM 1006 O LYS 122 127.156 16.122 -0.557 1.00 0.00 ATOM 1007 C LYS 122 127.378 15.036 -1.104 1.00 0.00 ATOM 1008 N SER 123 127.507 13.931 -0.396 1.00 0.00 ATOM 1009 CA SER 123 127.418 13.963 1.065 1.00 0.00 ATOM 1010 CB SER 123 127.118 12.580 1.639 1.00 0.00 ATOM 1011 OG SER 123 128.225 11.697 1.479 1.00 0.00 ATOM 1012 O SER 123 129.795 14.274 1.091 1.00 0.00 ATOM 1013 C SER 123 128.722 14.464 1.668 1.00 0.00 ATOM 1014 N ASP 124 128.634 15.048 2.847 1.00 0.00 ATOM 1015 CA ASP 124 129.802 15.563 3.558 1.00 0.00 ATOM 1016 CB ASP 124 129.421 16.392 4.794 1.00 0.00 ATOM 1017 CG ASP 124 128.888 15.550 5.932 1.00 0.00 ATOM 1018 OD1 ASP 124 127.696 15.174 5.894 1.00 0.00 ATOM 1019 OD2 ASP 124 129.646 15.251 6.884 1.00 0.00 ATOM 1020 O ASP 124 131.861 14.673 4.301 1.00 0.00 ATOM 1021 C ASP 124 130.708 14.435 4.002 1.00 0.00 ATOM 1022 N ILE 125 130.199 13.207 4.067 1.00 0.00 ATOM 1023 CA ILE 125 131.047 12.111 4.463 1.00 0.00 ATOM 1024 CB ILE 125 130.225 10.838 4.978 1.00 0.00 ATOM 1025 CG1 ILE 125 131.078 9.898 5.873 1.00 0.00 ATOM 1026 CG2 ILE 125 129.568 10.038 3.859 1.00 0.00 ATOM 1027 CD1 ILE 125 132.242 9.188 5.204 1.00 0.00 ATOM 1028 O ILE 125 133.216 11.735 3.473 1.00 0.00 ATOM 1029 C ILE 125 131.999 11.806 3.294 1.00 0.00 ATOM 1030 N TYR 126 131.456 11.751 2.083 1.00 0.00 ATOM 1031 CA TYR 126 132.273 11.494 0.926 1.00 0.00 ATOM 1032 CB TYR 126 131.444 10.994 -0.256 1.00 0.00 ATOM 1033 CG TYR 126 132.268 10.701 -1.487 1.00 0.00 ATOM 1034 CD1 TYR 126 132.189 11.509 -2.603 1.00 0.00 ATOM 1035 CD2 TYR 126 133.161 9.643 -1.507 1.00 0.00 ATOM 1036 CE1 TYR 126 132.964 11.276 -3.703 1.00 0.00 ATOM 1037 CE2 TYR 126 133.939 9.392 -2.607 1.00 0.00 ATOM 1038 CZ TYR 126 133.834 10.216 -3.709 1.00 0.00 ATOM 1039 OH TYR 126 134.627 9.999 -4.808 1.00 0.00 ATOM 1040 O TYR 126 134.233 12.631 0.141 1.00 0.00 ATOM 1041 C TYR 126 133.082 12.734 0.560 1.00 0.00 ATOM 1042 N LEU 127 132.503 13.904 0.763 1.00 0.00 ATOM 1043 CA LEU 127 133.199 15.152 0.496 1.00 0.00 ATOM 1044 CB LEU 127 132.241 16.346 0.439 1.00 0.00 ATOM 1045 CG LEU 127 131.182 16.291 -0.668 1.00 0.00 ATOM 1046 CD1 LEU 127 130.327 17.542 -0.668 1.00 0.00 ATOM 1047 CD2 LEU 127 131.824 16.078 -2.028 1.00 0.00 ATOM 1048 O LEU 127 135.232 16.158 1.263 1.00 0.00 ATOM 1049 C LEU 127 134.307 15.383 1.507 1.00 0.00 ATOM 1050 N ASP 128 134.229 14.707 2.630 1.00 0.00 ATOM 1051 CA ASP 128 135.288 14.767 3.619 1.00 0.00 ATOM 1052 CB ASP 128 134.810 14.330 4.995 1.00 0.00 ATOM 1053 CG ASP 128 135.856 14.535 6.055 1.00 0.00 ATOM 1054 OD1 ASP 128 135.914 15.642 6.642 1.00 0.00 ATOM 1055 OD2 ASP 128 136.626 13.597 6.339 1.00 0.00 ATOM 1056 O ASP 128 137.583 14.218 3.361 1.00 0.00 ATOM 1057 C ASP 128 136.429 13.886 3.166 1.00 0.00 ATOM 1058 N LEU 129 136.088 12.766 2.521 1.00 0.00 ATOM 1059 CA LEU 129 137.093 11.866 1.941 1.00 0.00 ATOM 1060 CB LEU 129 136.439 10.580 1.400 1.00 0.00 ATOM 1061 CG LEU 129 135.417 9.882 2.310 1.00 0.00 ATOM 1062 CD1 LEU 129 134.681 8.823 1.543 1.00 0.00 ATOM 1063 CD2 LEU 129 136.079 9.259 3.528 1.00 0.00 ATOM 1064 O LEU 129 138.937 12.376 0.466 1.00 0.00 ATOM 1065 C LEU 129 137.766 12.598 0.777 1.00 0.00 ATOM 1066 N MET 130 136.989 13.469 0.135 1.00 0.00 ATOM 1067 CA MET 130 137.472 14.300 -0.954 1.00 0.00 ATOM 1068 CB MET 130 136.308 14.987 -1.712 1.00 0.00 ATOM 1069 CG MET 130 135.328 14.077 -2.485 1.00 0.00 ATOM 1070 SD MET 130 136.072 13.160 -3.859 1.00 0.00 ATOM 1071 CE MET 130 137.021 11.908 -2.997 1.00 0.00 ATOM 1072 O MET 130 139.443 15.637 -1.080 1.00 0.00 ATOM 1073 C MET 130 138.426 15.362 -0.445 1.00 0.00 ATOM 1074 N GLU 131 138.094 15.936 0.704 1.00 0.00 ATOM 1075 CA GLU 131 138.840 17.037 1.307 1.00 0.00 ATOM 1076 CB GLU 131 140.265 16.648 1.745 1.00 0.00 ATOM 1077 CG GLU 131 140.275 15.671 2.901 1.00 0.00 ATOM 1078 CD GLU 131 141.645 15.335 3.404 1.00 0.00 ATOM 1079 OE1 GLU 131 142.072 14.181 3.262 1.00 0.00 ATOM 1080 OE2 GLU 131 142.310 16.213 3.984 1.00 0.00 ATOM 1081 O GLU 131 139.682 18.470 -0.442 1.00 0.00 ATOM 1082 C GLU 131 138.820 18.273 0.424 1.00 0.00 ATOM 1083 N GLY 132 137.803 19.060 0.614 1.00 0.00 ATOM 1084 CA GLY 132 137.620 20.264 -0.136 1.00 0.00 ATOM 1085 O GLY 132 137.014 22.123 1.223 1.00 0.00 ATOM 1086 C GLY 132 136.637 21.139 0.564 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1829777323.pdb -s /var/tmp/to_scwrl_1829777323.seq -o /var/tmp/from_scwrl_1829777323.pdb > /var/tmp/scwrl_1829777323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1829777323.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 102 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -77.083 # GDT_score(maxd=8.000,maxw=2.900)= -82.455 # GDT_score(maxd=8.000,maxw=3.200)= -78.334 # GDT_score(maxd=8.000,maxw=3.500)= -74.145 # GDT_score(maxd=10.000,maxw=3.800)= -76.536 # GDT_score(maxd=10.000,maxw=4.000)= -73.859 # GDT_score(maxd=10.000,maxw=4.200)= -71.190 # GDT_score(maxd=12.000,maxw=4.300)= -74.971 # GDT_score(maxd=12.000,maxw=4.500)= -72.401 # GDT_score(maxd=12.000,maxw=4.700)= -69.922 # GDT_score(maxd=14.000,maxw=5.200)= -68.101 # GDT_score(maxd=14.000,maxw=5.500)= -64.894 # command:# request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_67991838.pdb -s /var/tmp/to_scwrl_67991838.seq -o /var/tmp/from_scwrl_67991838.pdb > /var/tmp/scwrl_67991838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67991838.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 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.977 # GDT_score = -75.758 # GDT_score(maxd=8.000,maxw=2.900)= -80.269 # GDT_score(maxd=8.000,maxw=3.200)= -76.459 # GDT_score(maxd=8.000,maxw=3.500)= -72.608 # GDT_score(maxd=10.000,maxw=3.800)= -74.993 # GDT_score(maxd=10.000,maxw=4.000)= -72.575 # GDT_score(maxd=10.000,maxw=4.200)= -70.193 # GDT_score(maxd=12.000,maxw=4.300)= -73.699 # GDT_score(maxd=12.000,maxw=4.500)= -71.387 # GDT_score(maxd=12.000,maxw=4.700)= -69.127 # GDT_score(maxd=14.000,maxw=5.200)= -67.479 # GDT_score(maxd=14.000,maxw=5.500)= -64.515 # command:# request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_505203577.pdb -s /var/tmp/to_scwrl_505203577.seq -o /var/tmp/from_scwrl_505203577.pdb > /var/tmp/scwrl_505203577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_505203577.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.955 # GDT_score = -74.432 # GDT_score(maxd=8.000,maxw=2.900)= -78.212 # GDT_score(maxd=8.000,maxw=3.200)= -74.312 # GDT_score(maxd=8.000,maxw=3.500)= -70.403 # GDT_score(maxd=10.000,maxw=3.800)= -72.779 # GDT_score(maxd=10.000,maxw=4.000)= -70.398 # GDT_score(maxd=10.000,maxw=4.200)= -68.110 # GDT_score(maxd=12.000,maxw=4.300)= -71.527 # GDT_score(maxd=12.000,maxw=4.500)= -69.322 # GDT_score(maxd=12.000,maxw=4.700)= -67.170 # GDT_score(maxd=14.000,maxw=5.200)= -65.504 # GDT_score(maxd=14.000,maxw=5.500)= -62.487 # command:# request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2073040523.pdb -s /var/tmp/to_scwrl_2073040523.seq -o /var/tmp/from_scwrl_2073040523.pdb > /var/tmp/scwrl_2073040523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073040523.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.955 # GDT_score = -50.947 # GDT_score(maxd=8.000,maxw=2.900)= -54.862 # GDT_score(maxd=8.000,maxw=3.200)= -51.863 # GDT_score(maxd=8.000,maxw=3.500)= -48.770 # GDT_score(maxd=10.000,maxw=3.800)= -50.736 # GDT_score(maxd=10.000,maxw=4.000)= -48.881 # GDT_score(maxd=10.000,maxw=4.200)= -47.086 # GDT_score(maxd=12.000,maxw=4.300)= -49.967 # GDT_score(maxd=12.000,maxw=4.500)= -48.223 # GDT_score(maxd=12.000,maxw=4.700)= -46.561 # GDT_score(maxd=14.000,maxw=5.200)= -45.724 # GDT_score(maxd=14.000,maxw=5.500)= -43.660 # command:# request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1422382952.pdb -s /var/tmp/to_scwrl_1422382952.seq -o /var/tmp/from_scwrl_1422382952.pdb > /var/tmp/scwrl_1422382952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1422382952.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 T0302.try1-opt2.pdb looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -77.273 # GDT_score(maxd=8.000,maxw=2.900)= -82.452 # GDT_score(maxd=8.000,maxw=3.200)= -78.321 # GDT_score(maxd=8.000,maxw=3.500)= -74.133 # GDT_score(maxd=10.000,maxw=3.800)= -76.524 # GDT_score(maxd=10.000,maxw=4.000)= -73.848 # GDT_score(maxd=10.000,maxw=4.200)= -71.181 # GDT_score(maxd=12.000,maxw=4.300)= -74.962 # GDT_score(maxd=12.000,maxw=4.500)= -72.392 # GDT_score(maxd=12.000,maxw=4.700)= -69.913 # GDT_score(maxd=14.000,maxw=5.200)= -68.098 # GDT_score(maxd=14.000,maxw=5.500)= -64.891 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0302.try1-real.pdb for output Error: Couldn't open file T0302.try1-real.pdb for output superimposing iter= 0 total_weight= 1614 rmsd (weighted)= 2.75831 (unweighted)= 2.92337 superimposing iter= 1 total_weight= 4039.37 rmsd (weighted)= 1.38518 (unweighted)= 2.92822 superimposing iter= 2 total_weight= 1415.73 rmsd (weighted)= 1.20753 (unweighted)= 2.93383 superimposing iter= 3 total_weight= 1137.92 rmsd (weighted)= 1.17623 (unweighted)= 2.9398 superimposing iter= 4 total_weight= 1115.68 rmsd (weighted)= 1.15753 (unweighted)= 2.94652 superimposing iter= 5 total_weight= 1109.79 rmsd (weighted)= 1.14212 (unweighted)= 2.95387 EXPDTA T0302.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0302.try1-opt2.pdb ATOM 1 N SER A 1 145.908 12.909 4.151 1.00 0.00 ATOM 2 CA SER A 1 147.045 11.981 3.862 1.00 0.00 ATOM 3 CB SER A 1 147.068 10.832 4.873 1.00 0.00 ATOM 4 OG SER A 1 145.938 9.994 4.718 1.00 0.00 ATOM 5 O SER A 1 145.752 11.277 1.980 1.00 0.00 ATOM 6 C SER A 1 146.887 11.415 2.453 1.00 0.00 ATOM 7 N MET A 2 147.985 11.148 1.762 1.00 0.00 ATOM 8 CA MET A 2 147.898 10.686 0.378 1.00 0.00 ATOM 9 CB MET A 2 149.328 10.539 -0.191 1.00 0.00 ATOM 10 CG MET A 2 150.051 9.249 0.049 1.00 0.00 ATOM 11 SD MET A 2 151.667 9.250 -0.797 1.00 0.00 ATOM 12 CE MET A 2 152.262 10.807 -0.199 1.00 0.00 ATOM 13 O MET A 2 146.271 9.311 -0.684 1.00 0.00 ATOM 14 C MET A 2 147.059 9.413 0.264 1.00 0.00 ATOM 15 N VAL A 3 147.181 8.416 1.245 1.00 0.00 ATOM 16 CA VAL A 3 146.382 7.183 1.217 1.00 0.00 ATOM 17 CB VAL A 3 146.816 6.204 2.323 1.00 0.00 ATOM 18 CG1 VAL A 3 145.857 5.023 2.396 1.00 0.00 ATOM 19 CG2 VAL A 3 148.213 5.671 2.045 1.00 0.00 ATOM 20 O VAL A 3 144.069 6.845 0.756 1.00 0.00 ATOM 21 C VAL A 3 144.910 7.449 1.418 1.00 0.00 ATOM 22 N SER A 4 144.600 8.313 2.367 1.00 0.00 ATOM 23 CA SER A 4 143.231 8.712 2.575 1.00 0.00 ATOM 24 CB SER A 4 143.135 9.721 3.722 1.00 0.00 ATOM 25 OG SER A 4 143.478 9.121 4.958 1.00 0.00 ATOM 26 O SER A 4 141.667 8.878 0.799 1.00 0.00 ATOM 27 C SER A 4 142.698 9.343 1.307 1.00 0.00 ATOM 28 N PRO A 5 143.371 10.335 0.696 1.00 0.00 ATOM 29 CA PRO A 5 142.940 10.892 -0.578 1.00 0.00 ATOM 30 CB PRO A 5 144.081 11.795 -0.954 1.00 0.00 ATOM 31 CG PRO A 5 144.471 12.385 0.397 1.00 0.00 ATOM 32 CD PRO A 5 144.491 11.144 1.222 1.00 0.00 ATOM 33 O PRO A 5 141.821 9.985 -2.489 1.00 0.00 ATOM 34 C PRO A 5 142.792 9.891 -1.708 1.00 0.00 ATOM 35 N GLU A 6 143.685 8.978 -1.880 1.00 0.00 ATOM 36 CA GLU A 6 143.597 7.964 -2.930 1.00 0.00 ATOM 37 CB GLU A 6 144.802 7.024 -2.870 1.00 0.00 ATOM 38 CG GLU A 6 146.110 7.663 -3.305 1.00 0.00 ATOM 39 CD GLU A 6 147.300 6.744 -3.116 1.00 0.00 ATOM 40 OE1 GLU A 6 147.113 5.633 -2.576 1.00 0.00 ATOM 41 OE2 GLU A 6 148.420 7.134 -3.507 1.00 0.00 ATOM 42 O GLU A 6 141.662 6.813 -3.768 1.00 0.00 ATOM 43 C GLU A 6 142.336 7.115 -2.787 1.00 0.00 ATOM 44 N GLU A 7 142.037 6.736 -1.556 1.00 0.00 ATOM 45 CA GLU A 7 140.844 5.900 -1.312 1.00 0.00 ATOM 46 CB GLU A 7 140.746 5.525 0.169 1.00 0.00 ATOM 47 CG GLU A 7 141.800 4.531 0.627 1.00 0.00 ATOM 48 CD GLU A 7 141.752 4.276 2.121 1.00 0.00 ATOM 49 OE1 GLU A 7 140.941 4.934 2.809 1.00 0.00 ATOM 50 OE2 GLU A 7 142.523 3.421 2.603 1.00 0.00 ATOM 51 O GLU A 7 138.643 6.071 -2.278 1.00 0.00 ATOM 52 C GLU A 7 139.578 6.654 -1.716 1.00 0.00 ATOM 53 N ALA A 8 139.531 7.951 -1.390 1.00 0.00 ATOM 54 CA ALA A 8 138.372 8.783 -1.741 1.00 0.00 ATOM 55 CB ALA A 8 138.551 10.154 -1.188 1.00 0.00 ATOM 56 O ALA A 8 137.109 8.708 -3.801 1.00 0.00 ATOM 57 C ALA A 8 138.225 8.869 -3.270 1.00 0.00 ATOM 58 N VAL A 9 139.336 9.148 -3.959 1.00 0.00 ATOM 59 CA VAL A 9 139.275 9.263 -5.396 1.00 0.00 ATOM 60 CB VAL A 9 140.643 9.649 -5.988 1.00 0.00 ATOM 61 CG1 VAL A 9 140.604 9.581 -7.508 1.00 0.00 ATOM 62 CG2 VAL A 9 141.020 11.065 -5.580 1.00 0.00 ATOM 63 O VAL A 9 137.971 7.877 -6.878 1.00 0.00 ATOM 64 C VAL A 9 138.815 7.926 -5.972 1.00 0.00 ATOM 65 N LYS A 10 139.340 6.827 -5.429 1.00 0.00 ATOM 66 CA LYS A 10 138.964 5.512 -5.968 1.00 0.00 ATOM 67 CB LYS A 10 139.790 4.450 -5.239 1.00 0.00 ATOM 68 CG LYS A 10 141.257 4.423 -5.634 1.00 0.00 ATOM 69 CD LYS A 10 142.016 3.351 -4.869 1.00 0.00 ATOM 70 CE LYS A 10 143.483 3.324 -5.266 1.00 0.00 ATOM 71 NZ LYS A 10 144.244 2.297 -4.503 1.00 0.00 ATOM 72 O LYS A 10 136.894 4.541 -6.554 1.00 0.00 ATOM 73 C LYS A 10 137.516 5.219 -5.736 1.00 0.00 ATOM 74 N TRP A 11 136.973 5.676 -4.619 1.00 0.00 ATOM 75 CA TRP A 11 135.572 5.390 -4.321 1.00 0.00 ATOM 76 CB TRP A 11 135.208 5.905 -2.927 1.00 0.00 ATOM 77 CG TRP A 11 135.846 5.128 -1.815 1.00 0.00 ATOM 78 CD1 TRP A 11 136.601 3.997 -1.934 1.00 0.00 ATOM 79 CD2 TRP A 11 135.784 5.425 -0.416 1.00 0.00 ATOM 80 CE2 TRP A 11 136.525 4.431 0.255 1.00 0.00 ATOM 81 CE3 TRP A 11 135.176 6.433 0.339 1.00 0.00 ATOM 82 NE1 TRP A 11 137.014 3.570 -0.695 1.00 0.00 ATOM 83 CZ2 TRP A 11 136.673 4.417 1.641 1.00 0.00 ATOM 84 CZ3 TRP A 11 135.325 6.415 1.711 1.00 0.00 ATOM 85 CH2 TRP A 11 136.067 5.416 2.352 1.00 0.00 ATOM 86 O TRP A 11 133.526 5.642 -5.574 1.00 0.00 ATOM 87 C TRP A 11 134.673 6.057 -5.360 1.00 0.00 ATOM 88 N GLY A 12 135.200 7.095 -6.004 1.00 0.00 ATOM 89 CA GLY A 12 134.442 7.825 -7.012 1.00 0.00 ATOM 90 O GLY A 12 133.916 7.612 -9.330 1.00 0.00 ATOM 91 C GLY A 12 134.594 7.197 -8.385 1.00 0.00 ATOM 92 N GLU A 13 135.463 6.190 -8.502 1.00 0.00 ATOM 93 CA GLU A 13 135.681 5.531 -9.792 1.00 0.00 ATOM 94 CB GLU A 13 136.818 4.512 -9.688 1.00 0.00 ATOM 95 CG GLU A 13 138.190 5.133 -9.485 1.00 0.00 ATOM 96 CD GLU A 13 138.599 6.035 -10.632 1.00 0.00 ATOM 97 OE1 GLU A 13 138.574 5.571 -11.791 1.00 0.00 ATOM 98 OE2 GLU A 13 138.943 7.207 -10.372 1.00 0.00 ATOM 99 O GLU A 13 133.887 5.032 -11.314 1.00 0.00 ATOM 100 C GLU A 13 134.406 4.809 -10.216 1.00 0.00 ATOM 101 N SER A 14 133.801 3.855 -9.324 1.00 0.00 ATOM 102 CA SER A 14 132.520 3.213 -9.621 1.00 0.00 ATOM 103 CB SER A 14 132.699 2.123 -10.678 1.00 0.00 ATOM 104 OG SER A 14 133.443 1.032 -10.165 1.00 0.00 ATOM 105 O SER A 14 132.539 2.756 -7.267 1.00 0.00 ATOM 106 C SER A 14 131.892 2.752 -8.316 1.00 0.00 ATOM 107 N PHE A 15 130.680 2.304 -8.377 1.00 0.00 ATOM 108 CA PHE A 15 129.978 1.838 -7.194 1.00 0.00 ATOM 109 CB PHE A 15 128.411 1.790 -7.612 1.00 0.00 ATOM 110 CG PHE A 15 127.508 1.389 -6.471 1.00 0.00 ATOM 111 CD1 PHE A 15 126.947 2.359 -5.658 1.00 0.00 ATOM 112 CD2 PHE A 15 127.217 0.062 -6.231 1.00 0.00 ATOM 113 CE1 PHE A 15 126.116 2.009 -4.605 1.00 0.00 ATOM 114 CE2 PHE A 15 126.391 -0.305 -5.173 1.00 0.00 ATOM 115 CZ PHE A 15 125.847 0.674 -4.364 1.00 0.00 ATOM 116 O PHE A 15 130.515 0.375 -5.390 1.00 0.00 ATOM 117 C PHE A 15 130.540 0.552 -6.605 1.00 0.00 ATOM 118 N ASP A 16 131.049 -0.346 -7.441 1.00 0.00 ATOM 119 CA ASP A 16 131.574 -1.601 -6.918 1.00 0.00 ATOM 120 CB ASP A 16 131.961 -2.539 -8.063 1.00 0.00 ATOM 121 CG ASP A 16 132.411 -3.902 -7.572 1.00 0.00 ATOM 122 OD1 ASP A 16 131.597 -4.603 -6.937 1.00 0.00 ATOM 123 OD2 ASP A 16 133.579 -4.267 -7.824 1.00 0.00 ATOM 124 O ASP A 16 133.003 -2.133 -5.066 1.00 0.00 ATOM 125 C ASP A 16 132.823 -1.421 -6.055 1.00 0.00 ATOM 126 N LYS A 17 133.673 -0.468 -6.394 1.00 0.00 ATOM 127 CA LYS A 17 134.855 -0.151 -5.585 1.00 0.00 ATOM 128 CB LYS A 17 135.676 0.954 -6.305 1.00 0.00 ATOM 129 CG LYS A 17 136.357 0.360 -7.554 1.00 0.00 ATOM 130 CD LYS A 17 137.175 1.466 -8.276 1.00 0.00 ATOM 131 CE LYS A 17 138.099 0.811 -9.313 1.00 0.00 ATOM 132 NZ LYS A 17 138.792 1.915 -10.061 1.00 0.00 ATOM 133 O LYS A 17 135.122 -0.016 -3.210 1.00 0.00 ATOM 134 C LYS A 17 134.476 0.335 -4.191 1.00 0.00 ATOM 135 N LEU A 18 133.435 1.157 -4.109 1.00 0.00 ATOM 136 CA LEU A 18 132.980 1.667 -2.820 1.00 0.00 ATOM 137 CB LEU A 18 131.907 2.741 -3.017 1.00 0.00 ATOM 138 CG LEU A 18 131.324 3.357 -1.744 1.00 0.00 ATOM 139 CD1 LEU A 18 132.411 4.051 -0.936 1.00 0.00 ATOM 140 CD2 LEU A 18 130.257 4.386 -2.086 1.00 0.00 ATOM 141 O LEU A 18 132.816 0.291 -0.833 1.00 0.00 ATOM 142 C LEU A 18 132.385 0.533 -1.971 1.00 0.00 ATOM 143 N LEU A 19 131.416 -0.182 -2.532 1.00 0.00 ATOM 144 CA LEU A 19 130.740 -1.242 -1.780 1.00 0.00 ATOM 145 CB LEU A 19 129.545 -1.777 -2.569 1.00 0.00 ATOM 146 CG LEU A 19 128.656 -2.791 -1.846 1.00 0.00 ATOM 147 CD1 LEU A 19 128.061 -2.182 -0.585 1.00 0.00 ATOM 148 CD2 LEU A 19 127.509 -3.238 -2.743 1.00 0.00 ATOM 149 O LEU A 19 131.351 -3.145 -0.436 1.00 0.00 ATOM 150 C LEU A 19 131.600 -2.470 -1.439 1.00 0.00 ATOM 151 N SER A 20 132.630 -2.723 -2.247 1.00 0.00 ATOM 152 CA SER A 20 133.532 -3.847 -2.031 1.00 0.00 ATOM 153 CB SER A 20 134.136 -4.312 -3.357 1.00 0.00 ATOM 154 OG SER A 20 134.936 -3.297 -3.937 1.00 0.00 ATOM 155 O SER A 20 135.550 -4.294 -0.821 1.00 0.00 ATOM 156 C SER A 20 134.666 -3.482 -1.073 1.00 0.00 ATOM 157 N HIS A 21 134.653 -2.256 -0.565 1.00 0.00 ATOM 158 CA HIS A 21 135.673 -1.805 0.378 1.00 0.00 ATOM 159 CB HIS A 21 136.184 -0.423 -0.032 1.00 0.00 ATOM 160 CG HIS A 21 137.356 0.050 0.769 1.00 0.00 ATOM 161 CD2 HIS A 21 138.804 0.011 0.617 1.00 0.00 ATOM 162 ND1 HIS A 21 137.220 0.705 1.975 1.00 0.00 ATOM 163 CE1 HIS A 21 138.440 1.003 2.453 1.00 0.00 ATOM 164 NE2 HIS A 21 139.396 0.589 1.643 1.00 0.00 ATOM 165 O HIS A 21 133.793 -1.289 1.861 1.00 0.00 ATOM 166 C HIS A 21 134.919 -1.802 1.708 1.00 0.00 ATOM 167 N ARG A 22 135.600 -2.332 2.804 1.00 0.00 ATOM 168 CA ARG A 22 134.912 -2.336 4.096 1.00 0.00 ATOM 169 CB ARG A 22 135.689 -3.015 5.192 1.00 0.00 ATOM 170 CG ARG A 22 135.825 -4.511 4.982 1.00 0.00 ATOM 171 CD ARG A 22 136.241 -5.287 6.243 1.00 0.00 ATOM 172 NE ARG A 22 137.573 -4.880 6.729 1.00 0.00 ATOM 173 CZ ARG A 22 138.708 -5.388 6.294 1.00 0.00 ATOM 174 NH1 ARG A 22 138.723 -6.325 5.383 1.00 0.00 ATOM 175 NH2 ARG A 22 139.868 -4.959 6.797 1.00 0.00 ATOM 176 O ARG A 22 133.547 -0.577 4.996 1.00 0.00 ATOM 177 C ARG A 22 134.657 -0.911 4.580 1.00 0.00 ATOM 178 N ASP A 23 135.683 -0.062 4.523 1.00 0.00 ATOM 179 CA ASP A 23 135.531 1.318 4.969 1.00 0.00 ATOM 180 CB ASP A 23 136.880 2.039 5.005 1.00 0.00 ATOM 181 CG ASP A 23 137.762 1.566 6.145 1.00 0.00 ATOM 182 OD1 ASP A 23 137.248 0.868 7.043 1.00 0.00 ATOM 183 OD2 ASP A 23 138.966 1.893 6.139 1.00 0.00 ATOM 184 O ASP A 23 133.893 3.020 4.498 1.00 0.00 ATOM 185 C ASP A 23 134.573 2.090 4.054 1.00 0.00 ATOM 186 N GLY A 24 134.536 1.702 2.788 1.00 0.00 ATOM 187 CA GLY A 24 133.638 2.353 1.847 1.00 0.00 ATOM 188 O GLY A 24 131.361 3.001 2.254 1.00 0.00 ATOM 189 C GLY A 24 132.191 2.093 2.240 1.00 0.00 ATOM 190 N LEU A 25 131.866 0.824 2.583 1.00 0.00 ATOM 191 CA LEU A 25 130.521 0.442 3.002 1.00 0.00 ATOM 192 CB LEU A 25 130.457 -1.081 3.157 1.00 0.00 ATOM 193 CG LEU A 25 129.079 -1.654 3.514 1.00 0.00 ATOM 194 CD1 LEU A 25 128.062 -1.312 2.447 1.00 0.00 ATOM 195 CD2 LEU A 25 129.196 -3.157 3.726 1.00 0.00 ATOM 196 O LEU A 25 128.999 1.486 4.534 1.00 0.00 ATOM 197 C LEU A 25 130.150 1.093 4.327 1.00 0.00 ATOM 198 N GLU A 26 131.130 1.215 5.217 1.00 0.00 ATOM 199 CA GLU A 26 130.874 1.834 6.506 1.00 0.00 ATOM 200 CB GLU A 26 132.148 1.768 7.353 1.00 0.00 ATOM 201 CG GLU A 26 132.488 0.374 7.855 1.00 0.00 ATOM 202 CD GLU A 26 133.817 0.326 8.582 1.00 0.00 ATOM 203 OE1 GLU A 26 134.508 1.366 8.628 1.00 0.00 ATOM 204 OE2 GLU A 26 134.169 -0.752 9.105 1.00 0.00 ATOM 205 O GLU A 26 129.513 3.803 6.879 1.00 0.00 ATOM 206 C GLU A 26 130.483 3.306 6.292 1.00 0.00 ATOM 207 N ALA A 27 131.229 3.996 5.446 1.00 0.00 ATOM 208 CA ALA A 27 130.923 5.388 5.157 1.00 0.00 ATOM 209 CB ALA A 27 132.024 5.992 4.299 1.00 0.00 ATOM 210 O ALA A 27 128.784 6.418 4.753 1.00 0.00 ATOM 211 C ALA A 27 129.590 5.533 4.436 1.00 0.00 ATOM 212 N PHE A 28 129.355 4.655 3.471 1.00 0.00 ATOM 213 CA PHE A 28 128.122 4.693 2.710 1.00 0.00 ATOM 214 CB PHE A 28 128.306 3.759 1.501 1.00 0.00 ATOM 215 CG PHE A 28 127.159 3.765 0.548 1.00 0.00 ATOM 216 CD1 PHE A 28 127.159 4.734 -0.451 1.00 0.00 ATOM 217 CD2 PHE A 28 126.121 2.856 0.655 1.00 0.00 ATOM 218 CE1 PHE A 28 126.139 4.823 -1.378 1.00 0.00 ATOM 219 CE2 PHE A 28 125.061 2.922 -0.276 1.00 0.00 ATOM 220 CZ PHE A 28 125.104 3.919 -1.245 1.00 0.00 ATOM 221 O PHE A 28 125.877 5.052 3.488 1.00 0.00 ATOM 222 C PHE A 28 126.933 4.446 3.646 1.00 0.00 ATOM 223 N THR A 29 127.127 3.576 4.635 1.00 0.00 ATOM 224 CA THR A 29 126.074 3.260 5.601 1.00 0.00 ATOM 225 CB THR A 29 126.542 2.209 6.624 1.00 0.00 ATOM 226 CG2 THR A 29 125.445 1.928 7.638 1.00 0.00 ATOM 227 OG1 THR A 29 126.870 0.991 5.945 1.00 0.00 ATOM 228 O THR A 29 124.422 4.660 6.629 1.00 0.00 ATOM 229 C THR A 29 125.620 4.490 6.393 1.00 0.00 ATOM 230 N ARG A 30 126.557 5.347 6.812 1.00 0.00 ATOM 231 CA ARG A 30 126.186 6.560 7.562 1.00 0.00 ATOM 232 CB ARG A 30 127.437 7.351 7.951 1.00 0.00 ATOM 233 CG ARG A 30 128.283 6.684 9.023 1.00 0.00 ATOM 234 CD ARG A 30 129.542 7.486 9.309 1.00 0.00 ATOM 235 NE ARG A 30 130.383 6.843 10.319 1.00 0.00 ATOM 236 CZ ARG A 30 131.572 7.298 10.699 1.00 0.00 ATOM 237 NH1 ARG A 30 132.265 6.647 11.624 1.00 0.00 ATOM 238 NH2 ARG A 30 132.067 8.401 10.153 1.00 0.00 ATOM 239 O ARG A 30 124.300 8.008 7.173 1.00 0.00 ATOM 240 C ARG A 30 125.290 7.447 6.707 1.00 0.00 ATOM 241 N PHE A 31 125.676 7.601 5.452 1.00 0.00 ATOM 242 CA PHE A 31 124.919 8.410 4.521 1.00 0.00 ATOM 243 CB PHE A 31 125.643 8.496 3.175 1.00 0.00 ATOM 244 CG PHE A 31 124.917 9.316 2.148 1.00 0.00 ATOM 245 CD1 PHE A 31 124.969 10.697 2.179 1.00 0.00 ATOM 246 CD2 PHE A 31 124.178 8.704 1.148 1.00 0.00 ATOM 247 CE1 PHE A 31 124.302 11.451 1.234 1.00 0.00 ATOM 248 CE2 PHE A 31 123.509 9.458 0.203 1.00 0.00 ATOM 249 CZ PHE A 31 123.568 10.825 0.242 1.00 0.00 ATOM 250 O PHE A 31 122.529 8.523 4.224 1.00 0.00 ATOM 251 C PHE A 31 123.529 7.804 4.280 1.00 0.00 ATOM 252 N LEU A 32 123.462 6.487 4.135 1.00 0.00 ATOM 253 CA LEU A 32 122.165 5.830 3.908 1.00 0.00 ATOM 254 CB LEU A 32 122.354 4.324 3.718 1.00 0.00 ATOM 255 CG LEU A 32 123.043 3.885 2.425 1.00 0.00 ATOM 256 CD1 LEU A 32 123.328 2.391 2.448 1.00 0.00 ATOM 257 CD2 LEU A 32 122.164 4.184 1.219 1.00 0.00 ATOM 258 O LEU A 32 120.036 6.333 4.874 1.00 0.00 ATOM 259 C LEU A 32 121.221 6.067 5.077 1.00 0.00 ATOM 260 N LYS A 33 121.741 5.976 6.293 1.00 0.00 ATOM 261 CA LYS A 33 120.922 6.206 7.475 1.00 0.00 ATOM 262 CB LYS A 33 121.735 5.984 8.751 1.00 0.00 ATOM 263 CG LYS A 33 120.928 6.114 10.032 1.00 0.00 ATOM 264 CD LYS A 33 121.774 5.791 11.253 1.00 0.00 ATOM 265 CE LYS A 33 120.974 5.946 12.536 1.00 0.00 ATOM 266 NZ LYS A 33 121.796 5.653 13.742 1.00 0.00 ATOM 267 O LYS A 33 119.260 7.914 7.795 1.00 0.00 ATOM 268 C LYS A 33 120.413 7.644 7.452 1.00 0.00 ATOM 269 N THR A 34 121.285 8.546 7.034 1.00 0.00 ATOM 270 CA THR A 34 120.919 9.956 6.954 1.00 0.00 ATOM 271 CB THR A 34 122.067 10.829 6.511 1.00 0.00 ATOM 272 CG2 THR A 34 121.705 12.302 6.664 1.00 0.00 ATOM 273 OG1 THR A 34 123.194 10.545 7.348 1.00 0.00 ATOM 274 O THR A 34 118.865 10.964 6.201 1.00 0.00 ATOM 275 C THR A 34 119.765 10.152 5.969 1.00 0.00 ATOM 276 N GLU A 35 119.791 9.380 4.890 1.00 0.00 ATOM 277 CA GLU A 35 118.763 9.434 3.856 1.00 0.00 ATOM 278 CB GLU A 35 119.624 9.263 2.416 1.00 0.00 ATOM 279 CG GLU A 35 118.998 9.714 1.109 1.00 0.00 ATOM 280 CD GLU A 35 119.170 11.197 0.903 1.00 0.00 ATOM 281 OE1 GLU A 35 120.333 11.661 0.645 1.00 0.00 ATOM 282 OE2 GLU A 35 118.163 11.914 1.031 1.00 0.00 ATOM 283 O GLU A 35 116.788 8.220 3.257 1.00 0.00 ATOM 284 C GLU A 35 117.615 8.457 4.126 1.00 0.00 ATOM 285 N PHE A 36 117.589 7.867 5.319 1.00 0.00 ATOM 286 CA PHE A 36 116.531 6.933 5.716 1.00 0.00 ATOM 287 CB PHE A 36 115.149 7.568 5.548 1.00 0.00 ATOM 288 CG PHE A 36 114.954 8.814 6.363 1.00 0.00 ATOM 289 CD1 PHE A 36 115.055 10.065 5.776 1.00 0.00 ATOM 290 CD2 PHE A 36 114.668 8.739 7.715 1.00 0.00 ATOM 291 CE1 PHE A 36 114.873 11.213 6.525 1.00 0.00 ATOM 292 CE2 PHE A 36 114.488 9.886 8.463 1.00 0.00 ATOM 293 CZ PHE A 36 114.590 11.119 7.875 1.00 0.00 ATOM 294 O PHE A 36 115.324 5.031 4.863 1.00 0.00 ATOM 295 C PHE A 36 116.414 5.599 4.960 1.00 0.00 ATOM 296 N SER A 37 117.514 5.084 4.428 1.00 0.00 ATOM 297 CA SER A 37 117.449 3.803 3.738 1.00 0.00 ATOM 298 CB SER A 37 117.562 3.998 2.224 1.00 0.00 ATOM 299 OG SER A 37 118.714 4.753 1.891 1.00 0.00 ATOM 300 O SER A 37 119.223 2.205 3.433 1.00 0.00 ATOM 301 C SER A 37 118.601 2.923 4.216 1.00 0.00 ATOM 302 N GLU A 38 118.856 2.975 5.519 1.00 0.00 ATOM 303 CA GLU A 38 119.943 2.209 6.101 1.00 0.00 ATOM 304 CB GLU A 38 120.050 2.485 7.601 1.00 0.00 ATOM 305 CG GLU A 38 121.206 1.769 8.283 1.00 0.00 ATOM 306 CD GLU A 38 121.315 2.111 9.756 1.00 0.00 ATOM 307 OE1 GLU A 38 120.498 2.924 10.240 1.00 0.00 ATOM 308 OE2 GLU A 38 122.217 1.567 10.427 1.00 0.00 ATOM 309 O GLU A 38 120.907 0.033 5.803 1.00 0.00 ATOM 310 C GLU A 38 119.876 0.694 6.028 1.00 0.00 ATOM 311 N GLU A 39 118.675 0.139 6.163 1.00 0.00 ATOM 312 CA GLU A 39 118.499 -1.312 6.140 1.00 0.00 ATOM 313 CB GLU A 39 117.098 -1.684 6.612 1.00 0.00 ATOM 314 CG GLU A 39 116.862 -1.383 8.046 1.00 0.00 ATOM 315 CD GLU A 39 115.483 -1.388 8.566 1.00 0.00 ATOM 316 OE1 GLU A 39 114.598 -1.164 7.722 1.00 0.00 ATOM 317 OE2 GLU A 39 115.225 -1.574 9.765 1.00 0.00 ATOM 318 O GLU A 39 119.023 -3.189 4.733 1.00 0.00 ATOM 319 C GLU A 39 118.822 -1.976 4.798 1.00 0.00 ATOM 320 N ASN A 40 118.871 -1.187 3.747 1.00 0.00 ATOM 321 CA ASN A 40 119.165 -1.682 2.399 1.00 0.00 ATOM 322 CB ASN A 40 119.220 -0.522 1.403 1.00 0.00 ATOM 323 CG ASN A 40 117.846 0.034 1.080 1.00 0.00 ATOM 324 ND2 ASN A 40 117.813 1.231 0.507 1.00 0.00 ATOM 325 OD1 ASN A 40 116.829 -0.608 1.344 1.00 0.00 ATOM 326 O ASN A 40 120.679 -3.518 1.960 1.00 0.00 ATOM 327 C ASN A 40 120.527 -2.390 2.413 1.00 0.00 ATOM 328 N ILE A 41 121.526 -1.693 2.962 1.00 0.00 ATOM 329 CA ILE A 41 122.874 -2.227 3.035 1.00 0.00 ATOM 330 CB ILE A 41 123.894 -1.144 3.461 1.00 0.00 ATOM 331 CG1 ILE A 41 123.898 -0.004 2.439 1.00 0.00 ATOM 332 CG2 ILE A 41 125.291 -1.744 3.556 1.00 0.00 ATOM 333 CD1 ILE A 41 124.143 -0.470 1.022 1.00 0.00 ATOM 334 O ILE A 41 123.723 -4.359 3.737 1.00 0.00 ATOM 335 C ILE A 41 122.978 -3.418 3.993 1.00 0.00 ATOM 336 N GLU A 42 122.231 -3.379 5.094 1.00 0.00 ATOM 337 CA GLU A 42 122.253 -4.499 6.028 1.00 0.00 ATOM 338 CB GLU A 42 121.353 -4.210 7.231 1.00 0.00 ATOM 339 CG GLU A 42 121.879 -3.126 8.155 1.00 0.00 ATOM 340 CD GLU A 42 120.905 -2.781 9.265 1.00 0.00 ATOM 341 OE1 GLU A 42 119.788 -3.338 9.268 1.00 0.00 ATOM 342 OE2 GLU A 42 121.260 -1.954 10.130 1.00 0.00 ATOM 343 O GLU A 42 122.339 -6.821 5.433 1.00 0.00 ATOM 344 C GLU A 42 121.751 -5.745 5.308 1.00 0.00 ATOM 345 N PHE A 43 120.702 -5.589 4.521 1.00 0.00 ATOM 346 CA PHE A 43 120.123 -6.694 3.764 1.00 0.00 ATOM 347 CB PHE A 43 118.869 -6.223 3.024 1.00 0.00 ATOM 348 CG PHE A 43 118.231 -7.283 2.175 1.00 0.00 ATOM 349 CD1 PHE A 43 117.428 -8.258 2.745 1.00 0.00 ATOM 350 CD2 PHE A 43 118.434 -7.310 0.807 1.00 0.00 ATOM 351 CE1 PHE A 43 116.841 -9.234 1.964 1.00 0.00 ATOM 352 CE2 PHE A 43 117.847 -8.286 0.025 1.00 0.00 ATOM 353 CZ PHE A 43 117.052 -9.246 0.597 1.00 0.00 ATOM 354 O PHE A 43 121.219 -8.410 2.528 1.00 0.00 ATOM 355 C PHE A 43 121.100 -7.205 2.716 1.00 0.00 ATOM 356 N TRP A 44 121.784 -6.285 2.021 1.00 0.00 ATOM 357 CA TRP A 44 122.734 -6.710 1.002 1.00 0.00 ATOM 358 CB TRP A 44 123.393 -5.486 0.362 1.00 0.00 ATOM 359 CG TRP A 44 124.396 -5.830 -0.697 1.00 0.00 ATOM 360 CD1 TRP A 44 124.143 -6.074 -2.016 1.00 0.00 ATOM 361 CD2 TRP A 44 125.812 -5.967 -0.525 1.00 0.00 ATOM 362 CE2 TRP A 44 126.354 -6.296 -1.783 1.00 0.00 ATOM 363 CE3 TRP A 44 126.674 -5.844 0.568 1.00 0.00 ATOM 364 NE1 TRP A 44 125.315 -6.357 -2.678 1.00 0.00 ATOM 365 CZ2 TRP A 44 127.719 -6.504 -1.977 1.00 0.00 ATOM 366 CZ3 TRP A 44 128.026 -6.052 0.371 1.00 0.00 ATOM 367 CH2 TRP A 44 128.538 -6.376 -0.890 1.00 0.00 ATOM 368 O TRP A 44 124.238 -8.610 1.080 1.00 0.00 ATOM 369 C TRP A 44 123.843 -7.575 1.632 1.00 0.00 ATOM 370 N ILE A 45 124.319 -7.168 2.797 1.00 0.00 ATOM 371 CA ILE A 45 125.404 -7.903 3.458 1.00 0.00 ATOM 372 CB ILE A 45 125.929 -7.150 4.694 1.00 0.00 ATOM 373 CG1 ILE A 45 126.677 -5.883 4.270 1.00 0.00 ATOM 374 CG2 ILE A 45 126.883 -8.028 5.488 1.00 0.00 ATOM 375 CD1 ILE A 45 126.995 -4.949 5.416 1.00 0.00 ATOM 376 O ILE A 45 125.710 -10.252 3.907 1.00 0.00 ATOM 377 C ILE A 45 124.949 -9.278 3.954 1.00 0.00 ATOM 378 N ALA A 46 123.710 -9.366 4.433 1.00 0.00 ATOM 379 CA ALA A 46 123.193 -10.648 4.921 1.00 0.00 ATOM 380 CB ALA A 46 121.825 -10.566 5.439 1.00 0.00 ATOM 381 O ALA A 46 123.403 -12.793 3.875 1.00 0.00 ATOM 382 C ALA A 46 123.102 -11.611 3.744 1.00 0.00 ATOM 383 N CYS A 47 122.687 -11.096 2.589 1.00 0.00 ATOM 384 CA CYS A 47 122.567 -11.923 1.391 1.00 0.00 ATOM 385 CB CYS A 47 121.869 -11.147 0.273 1.00 0.00 ATOM 386 SG CYS A 47 120.112 -10.832 0.566 1.00 0.00 ATOM 387 O CYS A 47 124.098 -13.503 0.431 1.00 0.00 ATOM 388 C CYS A 47 123.941 -12.375 0.904 1.00 0.00 ATOM 389 N GLU A 48 124.930 -11.496 1.024 1.00 0.00 ATOM 390 CA GLU A 48 126.292 -11.836 0.612 1.00 0.00 ATOM 391 CB GLU A 48 127.267 -10.756 0.865 1.00 0.00 ATOM 392 CG GLU A 48 128.585 -10.915 0.109 1.00 0.00 ATOM 393 CD GLU A 48 128.411 -10.861 -1.403 1.00 0.00 ATOM 394 OE1 GLU A 48 127.626 -10.017 -1.884 1.00 0.00 ATOM 395 OE2 GLU A 48 129.068 -11.654 -2.111 1.00 0.00 ATOM 396 O GLU A 48 127.379 -13.946 0.992 1.00 0.00 ATOM 397 C GLU A 48 126.784 -12.987 1.485 1.00 0.00 ATOM 398 N ASP A 49 126.520 -12.892 2.784 1.00 0.00 ATOM 399 CA ASP A 49 126.914 -13.935 3.723 1.00 0.00 ATOM 400 CB ASP A 49 126.554 -13.532 5.155 1.00 0.00 ATOM 401 CG ASP A 49 127.454 -12.438 5.695 1.00 0.00 ATOM 402 OD1 ASP A 49 128.493 -12.157 5.064 1.00 0.00 ATOM 403 OD2 ASP A 49 127.118 -11.861 6.751 1.00 0.00 ATOM 404 O ASP A 49 126.801 -16.318 3.431 1.00 0.00 ATOM 405 C ASP A 49 126.200 -15.252 3.392 1.00 0.00 ATOM 406 N PHE A 50 124.931 -15.207 3.075 1.00 0.00 ATOM 407 CA PHE A 50 124.122 -16.388 2.715 1.00 0.00 ATOM 408 CB PHE A 50 122.720 -15.963 2.271 1.00 0.00 ATOM 409 CG PHE A 50 121.848 -17.107 1.841 1.00 0.00 ATOM 410 CD1 PHE A 50 121.194 -17.889 2.779 1.00 0.00 ATOM 411 CD2 PHE A 50 121.679 -17.402 0.500 1.00 0.00 ATOM 412 CE1 PHE A 50 120.392 -18.941 2.384 1.00 0.00 ATOM 413 CE2 PHE A 50 120.875 -18.456 0.105 1.00 0.00 ATOM 414 CZ PHE A 50 120.233 -19.224 1.040 1.00 0.00 ATOM 415 O PHE A 50 124.653 -18.429 1.600 1.00 0.00 ATOM 416 C PHE A 50 124.659 -17.220 1.550 1.00 0.00 ATOM 417 N LYS A 51 125.074 -16.559 0.528 1.00 0.00 ATOM 418 CA LYS A 51 125.587 -17.266 -0.660 1.00 0.00 ATOM 419 CB LYS A 51 125.782 -16.161 -1.776 1.00 0.00 ATOM 420 CG LYS A 51 126.387 -16.767 -3.042 1.00 0.00 ATOM 421 CD LYS A 51 126.557 -15.796 -4.164 1.00 0.00 ATOM 422 CE LYS A 51 127.044 -16.495 -5.440 1.00 0.00 ATOM 423 NZ LYS A 51 127.360 -15.436 -6.423 1.00 0.00 ATOM 424 O LYS A 51 126.969 -19.167 -1.044 1.00 0.00 ATOM 425 C LYS A 51 126.802 -18.129 -0.401 1.00 0.00 ATOM 426 N LYS A 52 127.622 -17.707 0.536 1.00 0.00 ATOM 427 CA LYS A 52 128.820 -18.470 0.876 1.00 0.00 ATOM 428 CB LYS A 52 129.764 -17.649 1.756 1.00 0.00 ATOM 429 CG LYS A 52 130.309 -16.398 1.085 1.00 0.00 ATOM 430 CD LYS A 52 131.204 -15.612 2.029 1.00 0.00 ATOM 431 CE LYS A 52 131.757 -14.367 1.355 1.00 0.00 ATOM 432 NZ LYS A 52 132.660 -13.600 2.259 1.00 0.00 ATOM 433 O LYS A 52 129.383 -20.594 1.813 1.00 0.00 ATOM 434 C LYS A 52 128.503 -19.791 1.615 1.00 0.00 ATOM 435 N SER A 53 127.259 -19.970 2.072 1.00 0.00 ATOM 436 CA SER A 53 126.896 -21.140 2.856 1.00 0.00 ATOM 437 CB SER A 53 125.559 -20.919 3.564 1.00 0.00 ATOM 438 OG SER A 53 125.140 -22.090 4.244 1.00 0.00 ATOM 439 O SER A 53 126.143 -22.198 0.903 1.00 0.00 ATOM 440 C SER A 53 126.784 -22.309 1.936 1.00 0.00 ATOM 441 N LYS A 54 127.417 -23.439 2.268 1.00 0.00 ATOM 442 CA LYS A 54 127.443 -24.627 1.392 1.00 0.00 ATOM 443 CB LYS A 54 128.840 -25.252 1.375 1.00 0.00 ATOM 444 CG LYS A 54 129.905 -24.372 0.740 1.00 0.00 ATOM 445 CD LYS A 54 131.261 -25.059 0.742 1.00 0.00 ATOM 446 CE LYS A 54 132.342 -24.147 0.182 1.00 0.00 ATOM 447 NZ LYS A 54 133.695 -24.758 0.296 1.00 0.00 ATOM 448 O LYS A 54 126.055 -26.492 0.933 1.00 0.00 ATOM 449 C LYS A 54 126.496 -25.739 1.785 1.00 0.00 ATOM 450 N GLY A 55 126.230 -25.881 3.085 1.00 0.00 ATOM 451 CA GLY A 55 125.320 -26.955 3.570 1.00 0.00 ATOM 452 O GLY A 55 123.387 -25.577 3.369 1.00 0.00 ATOM 453 C GLY A 55 123.878 -26.688 3.183 1.00 0.00 ATOM 454 N PRO A 56 123.167 -27.716 2.732 1.00 0.00 ATOM 455 CA PRO A 56 121.746 -27.530 2.337 1.00 0.00 ATOM 456 CB PRO A 56 121.320 -28.910 1.833 1.00 0.00 ATOM 457 CG PRO A 56 122.579 -29.531 1.333 1.00 0.00 ATOM 458 CD PRO A 56 123.661 -29.106 2.287 1.00 0.00 ATOM 459 O PRO A 56 120.039 -26.192 3.359 1.00 0.00 ATOM 460 C PRO A 56 120.866 -27.091 3.502 1.00 0.00 ATOM 461 N GLN A 57 121.036 -27.717 4.674 1.00 0.00 ATOM 462 CA GLN A 57 120.216 -27.369 5.823 1.00 0.00 ATOM 463 CB GLN A 57 120.475 -28.336 6.979 1.00 0.00 ATOM 464 CG GLN A 57 119.943 -29.741 6.744 1.00 0.00 ATOM 465 CD GLN A 57 120.313 -30.698 7.859 1.00 0.00 ATOM 466 OE1 GLN A 57 121.059 -30.345 8.773 1.00 0.00 ATOM 467 NE2 GLN A 57 119.793 -31.919 7.788 1.00 0.00 ATOM 468 O GLN A 57 119.471 -25.228 6.626 1.00 0.00 ATOM 469 C GLN A 57 120.427 -25.944 6.329 1.00 0.00 ATOM 470 N GLN A 58 121.685 -25.482 6.417 1.00 0.00 ATOM 471 CA GLN A 58 122.034 -24.131 6.843 1.00 0.00 ATOM 472 CB GLN A 58 123.541 -23.963 7.042 1.00 0.00 ATOM 473 CG GLN A 58 124.106 -24.752 8.212 1.00 0.00 ATOM 474 CD GLN A 58 125.610 -24.611 8.340 1.00 0.00 ATOM 475 OE1 GLN A 58 126.252 -23.948 7.526 1.00 0.00 ATOM 476 NE2 GLN A 58 126.177 -25.235 9.366 1.00 0.00 ATOM 477 O GLN A 58 121.041 -22.060 6.163 1.00 0.00 ATOM 478 C GLN A 58 121.506 -23.147 5.815 1.00 0.00 ATOM 479 N ILE A 59 121.590 -23.538 4.559 1.00 0.00 ATOM 480 CA ILE A 59 121.105 -22.665 3.499 1.00 0.00 ATOM 481 CB ILE A 59 121.448 -23.243 2.079 1.00 0.00 ATOM 482 CG1 ILE A 59 122.957 -23.121 1.820 1.00 0.00 ATOM 483 CG2 ILE A 59 120.664 -22.525 0.994 1.00 0.00 ATOM 484 CD1 ILE A 59 123.446 -23.775 0.529 1.00 0.00 ATOM 485 O ILE A 59 119.121 -21.323 3.645 1.00 0.00 ATOM 486 C ILE A 59 119.598 -22.457 3.661 1.00 0.00 ATOM 487 N HIS A 60 118.864 -23.534 3.902 1.00 0.00 ATOM 488 CA HIS A 60 117.401 -23.451 4.083 1.00 0.00 ATOM 489 CB HIS A 60 116.806 -24.841 4.310 1.00 0.00 ATOM 490 CG HIS A 60 115.342 -24.829 4.623 1.00 0.00 ATOM 491 CD2 HIS A 60 114.535 -25.029 5.818 1.00 0.00 ATOM 492 ND1 HIS A 60 114.379 -24.586 3.669 1.00 0.00 ATOM 493 CE1 HIS A 60 113.166 -24.640 4.248 1.00 0.00 ATOM 494 NE2 HIS A 60 113.251 -24.906 5.537 1.00 0.00 ATOM 495 O HIS A 60 116.166 -21.741 5.203 1.00 0.00 ATOM 496 C HIS A 60 117.048 -22.621 5.293 1.00 0.00 ATOM 497 N LEU A 61 117.757 -22.839 6.390 1.00 0.00 ATOM 498 CA LEU A 61 117.500 -22.078 7.652 1.00 0.00 ATOM 499 CB LEU A 61 118.391 -22.600 8.782 1.00 0.00 ATOM 500 CG LEU A 61 118.246 -21.900 10.135 1.00 0.00 ATOM 501 CD1 LEU A 61 116.834 -22.061 10.676 1.00 0.00 ATOM 502 CD2 LEU A 61 119.214 -22.489 11.150 1.00 0.00 ATOM 503 O LEU A 61 116.938 -19.726 7.856 1.00 0.00 ATOM 504 C LEU A 61 117.779 -20.560 7.524 1.00 0.00 ATOM 505 N LYS A 62 118.922 -20.196 6.955 1.00 0.00 ATOM 506 CA LYS A 62 119.227 -18.795 6.703 1.00 0.00 ATOM 507 CB LYS A 62 120.618 -18.653 6.083 1.00 0.00 ATOM 508 CG LYS A 62 121.759 -18.958 7.040 1.00 0.00 ATOM 509 CD LYS A 62 123.108 -18.795 6.361 1.00 0.00 ATOM 510 CE LYS A 62 124.249 -19.123 7.311 1.00 0.00 ATOM 511 NZ LYS A 62 125.577 -19.000 6.648 1.00 0.00 ATOM 512 O LYS A 62 117.936 -16.930 5.943 1.00 0.00 ATOM 513 C LYS A 62 118.260 -18.099 5.751 1.00 0.00 ATOM 514 N ALA A 63 117.785 -18.815 4.738 1.00 0.00 ATOM 515 CA ALA A 63 116.857 -18.226 3.784 1.00 0.00 ATOM 516 CB ALA A 63 116.574 -19.199 2.643 1.00 0.00 ATOM 517 O ALA A 63 115.066 -16.672 4.285 1.00 0.00 ATOM 518 C ALA A 63 115.572 -17.785 4.491 1.00 0.00 ATOM 519 N LYS A 64 115.034 -18.648 5.338 1.00 0.00 ATOM 520 CA LYS A 64 113.821 -18.321 6.074 1.00 0.00 ATOM 521 CB LYS A 64 113.342 -19.521 6.892 1.00 0.00 ATOM 522 CG LYS A 64 112.035 -19.285 7.632 1.00 0.00 ATOM 523 CD LYS A 64 111.571 -20.544 8.347 1.00 0.00 ATOM 524 CE LYS A 64 110.276 -20.301 9.106 1.00 0.00 ATOM 525 NZ LYS A 64 109.820 -21.521 9.828 1.00 0.00 ATOM 526 O LYS A 64 113.211 -16.267 7.159 1.00 0.00 ATOM 527 C LYS A 64 114.061 -17.148 7.019 1.00 0.00 ATOM 528 N ALA A 65 115.221 -17.130 7.670 1.00 0.00 ATOM 529 CA ALA A 65 115.557 -16.055 8.593 1.00 0.00 ATOM 530 CB ALA A 65 116.914 -16.315 9.227 1.00 0.00 ATOM 531 O ALA A 65 115.094 -13.708 8.362 1.00 0.00 ATOM 532 C ALA A 65 115.611 -14.710 7.867 1.00 0.00 ATOM 533 N ILE A 66 116.241 -14.699 6.698 1.00 0.00 ATOM 534 CA ILE A 66 116.332 -13.456 5.937 1.00 0.00 ATOM 535 CB ILE A 66 117.319 -13.661 4.754 1.00 0.00 ATOM 536 CG1 ILE A 66 118.747 -13.755 5.238 1.00 0.00 ATOM 537 CG2 ILE A 66 117.145 -12.515 3.753 1.00 0.00 ATOM 538 CD1 ILE A 66 119.728 -14.196 4.210 1.00 0.00 ATOM 539 O ILE A 66 114.637 -11.806 5.559 1.00 0.00 ATOM 540 C ILE A 66 114.948 -12.993 5.494 1.00 0.00 ATOM 541 N TYR A 67 114.119 -13.924 5.044 1.00 0.00 ATOM 542 CA TYR A 67 112.773 -13.565 4.608 1.00 0.00 ATOM 543 CB TYR A 67 111.942 -14.710 4.216 1.00 0.00 ATOM 544 CG TYR A 67 110.581 -14.315 3.712 1.00 0.00 ATOM 545 CD1 TYR A 67 110.438 -13.481 2.599 1.00 0.00 ATOM 546 CD2 TYR A 67 109.427 -14.813 4.312 1.00 0.00 ATOM 547 CE1 TYR A 67 109.180 -13.156 2.102 1.00 0.00 ATOM 548 CE2 TYR A 67 108.166 -14.494 3.818 1.00 0.00 ATOM 549 CZ TYR A 67 108.053 -13.671 2.711 1.00 0.00 ATOM 550 OH TYR A 67 106.817 -13.383 2.198 1.00 0.00 ATOM 551 O TYR A 67 111.454 -11.848 5.659 1.00 0.00 ATOM 552 C TYR A 67 112.021 -12.928 5.782 1.00 0.00 ATOM 553 N GLU A 68 112.100 -13.559 6.946 1.00 0.00 ATOM 554 CA GLU A 68 111.410 -13.042 8.123 1.00 0.00 ATOM 555 CB GLU A 68 111.386 -14.213 9.137 1.00 0.00 ATOM 556 CG GLU A 68 110.753 -13.887 10.485 1.00 0.00 ATOM 557 CD GLU A 68 110.733 -15.138 11.356 1.00 0.00 ATOM 558 OE1 GLU A 68 111.776 -15.825 11.483 1.00 0.00 ATOM 559 OE2 GLU A 68 109.638 -15.413 11.888 1.00 0.00 ATOM 560 O GLU A 68 111.217 -10.927 9.226 1.00 0.00 ATOM 561 C GLU A 68 111.963 -11.718 8.656 1.00 0.00 ATOM 562 N LYS A 69 113.349 -11.405 8.495 1.00 0.00 ATOM 563 CA LYS A 69 113.967 -10.172 8.986 1.00 0.00 ATOM 564 CB LYS A 69 115.474 -10.373 9.156 1.00 0.00 ATOM 565 CG LYS A 69 115.852 -11.288 10.309 1.00 0.00 ATOM 566 CD LYS A 69 117.360 -11.397 10.458 1.00 0.00 ATOM 567 CE LYS A 69 117.737 -12.328 11.599 1.00 0.00 ATOM 568 NZ LYS A 69 119.213 -12.455 11.746 1.00 0.00 ATOM 569 O LYS A 69 113.743 -7.811 8.686 1.00 0.00 ATOM 570 C LYS A 69 113.883 -8.903 8.139 1.00 0.00 ATOM 571 N PHE A 70 114.020 -9.041 6.819 1.00 0.00 ATOM 572 CA PHE A 70 114.002 -7.881 5.920 1.00 0.00 ATOM 573 CB PHE A 70 115.312 -7.920 5.056 1.00 0.00 ATOM 574 CG PHE A 70 116.588 -7.832 5.838 1.00 0.00 ATOM 575 CD1 PHE A 70 116.870 -6.709 6.610 1.00 0.00 ATOM 576 CD2 PHE A 70 117.511 -8.871 5.800 1.00 0.00 ATOM 577 CE1 PHE A 70 118.057 -6.624 7.334 1.00 0.00 ATOM 578 CE2 PHE A 70 118.701 -8.796 6.521 1.00 0.00 ATOM 579 CZ PHE A 70 118.973 -7.670 7.288 1.00 0.00 ATOM 580 O PHE A 70 112.482 -6.664 4.524 1.00 0.00 ATOM 581 C PHE A 70 112.858 -7.768 4.914 1.00 0.00 ATOM 582 N ILE A 71 112.303 -8.890 4.483 1.00 0.00 ATOM 583 CA ILE A 71 111.278 -8.835 3.441 1.00 0.00 ATOM 584 CB ILE A 71 111.537 -9.865 2.327 1.00 0.00 ATOM 585 CG1 ILE A 71 112.821 -9.519 1.569 1.00 0.00 ATOM 586 CG2 ILE A 71 110.382 -9.881 1.337 1.00 0.00 ATOM 587 CD1 ILE A 71 113.274 -10.600 0.613 1.00 0.00 ATOM 588 O ILE A 71 108.929 -8.515 3.151 1.00 0.00 ATOM 589 C ILE A 71 109.813 -9.081 3.792 1.00 0.00 ATOM 590 N GLN A 72 109.544 -9.910 4.793 1.00 0.00 ATOM 591 CA GLN A 72 108.160 -10.221 5.161 1.00 0.00 ATOM 592 CB GLN A 72 108.126 -11.279 6.266 1.00 0.00 ATOM 593 CG GLN A 72 106.726 -11.718 6.661 1.00 0.00 ATOM 594 CD GLN A 72 106.733 -12.810 7.714 1.00 0.00 ATOM 595 OE1 GLN A 72 107.791 -13.311 8.094 1.00 0.00 ATOM 596 NE2 GLN A 72 105.549 -13.182 8.187 1.00 0.00 ATOM 597 O GLN A 72 107.844 -8.047 6.149 1.00 0.00 ATOM 598 C GLN A 72 107.315 -9.053 5.675 1.00 0.00 ATOM 599 N THR A 73 105.981 -9.133 5.493 1.00 0.00 ATOM 600 CA THR A 73 105.091 -8.066 5.960 1.00 0.00 ATOM 601 CB THR A 73 103.610 -8.464 5.816 1.00 0.00 ATOM 602 CG2 THR A 73 102.706 -7.325 6.265 1.00 0.00 ATOM 603 OG1 THR A 73 103.326 -8.769 4.445 1.00 0.00 ATOM 604 O THR A 73 105.488 -8.697 8.233 1.00 0.00 ATOM 605 C THR A 73 105.395 -7.779 7.427 1.00 0.00 ATOM 606 N ASP A 74 105.564 -6.507 7.761 1.00 0.00 ATOM 607 CA ASP A 74 105.859 -6.138 9.132 1.00 0.00 ATOM 608 CB ASP A 74 104.751 -6.648 10.055 1.00 0.00 ATOM 609 CG ASP A 74 103.407 -6.014 9.757 1.00 0.00 ATOM 610 OD1 ASP A 74 103.340 -4.769 9.684 1.00 0.00 ATOM 611 OD2 ASP A 74 102.419 -6.760 9.596 1.00 0.00 ATOM 612 O ASP A 74 107.307 -6.888 10.897 1.00 0.00 ATOM 613 C ASP A 74 107.154 -6.688 9.674 1.00 0.00 ATOM 614 N ALA A 75 108.095 -6.959 8.765 1.00 0.00 ATOM 615 CA ALA A 75 109.407 -7.437 9.161 1.00 0.00 ATOM 616 CB ALA A 75 110.254 -7.740 7.935 1.00 0.00 ATOM 617 O ALA A 75 109.896 -5.161 9.730 1.00 0.00 ATOM 618 C ALA A 75 110.078 -6.343 9.993 1.00 0.00 ATOM 619 N PRO A 76 110.864 -6.737 10.990 1.00 0.00 ATOM 620 CA PRO A 76 111.541 -5.766 11.853 1.00 0.00 ATOM 621 CB PRO A 76 112.342 -6.633 12.826 1.00 0.00 ATOM 622 CG PRO A 76 111.558 -7.897 12.934 1.00 0.00 ATOM 623 CD PRO A 76 111.048 -8.192 11.552 1.00 0.00 ATOM 624 O PRO A 76 112.511 -3.595 11.403 1.00 0.00 ATOM 625 C PRO A 76 112.476 -4.800 11.144 1.00 0.00 ATOM 626 N LYS A 77 113.419 -5.469 10.315 1.00 0.00 ATOM 627 CA LYS A 77 114.370 -4.687 9.522 1.00 0.00 ATOM 628 CB LYS A 77 115.728 -4.700 10.268 1.00 0.00 ATOM 629 CG LYS A 77 115.700 -4.240 11.735 1.00 0.00 ATOM 630 CD LYS A 77 117.118 -4.507 12.218 1.00 0.00 ATOM 631 CE LYS A 77 117.310 -4.336 13.680 1.00 0.00 ATOM 632 NZ LYS A 77 118.814 -4.222 13.885 1.00 0.00 ATOM 633 O LYS A 77 113.996 -6.057 7.583 1.00 0.00 ATOM 634 C LYS A 77 113.710 -5.026 8.192 1.00 0.00 ATOM 635 N GLU A 78 112.680 -4.176 7.869 1.00 0.00 ATOM 636 CA GLU A 78 111.933 -4.364 6.630 1.00 0.00 ATOM 637 CB GLU A 78 110.438 -4.149 6.871 1.00 0.00 ATOM 638 CG GLU A 78 109.577 -4.326 5.631 1.00 0.00 ATOM 639 CD GLU A 78 108.107 -4.081 5.901 1.00 0.00 ATOM 640 OE1 GLU A 78 107.758 -3.789 7.064 1.00 0.00 ATOM 641 OE2 GLU A 78 107.302 -4.180 4.949 1.00 0.00 ATOM 642 O GLU A 78 112.566 -2.181 5.908 1.00 0.00 ATOM 643 C GLU A 78 112.415 -3.359 5.604 1.00 0.00 ATOM 644 N VAL A 79 112.728 -3.854 4.402 1.00 0.00 ATOM 645 CA VAL A 79 113.104 -3.000 3.282 1.00 0.00 ATOM 646 CB VAL A 79 114.579 -3.210 2.893 1.00 0.00 ATOM 647 CG1 VAL A 79 115.493 -2.819 4.045 1.00 0.00 ATOM 648 CG2 VAL A 79 114.839 -4.668 2.548 1.00 0.00 ATOM 649 O VAL A 79 111.571 -4.458 2.192 1.00 0.00 ATOM 650 C VAL A 79 112.162 -3.388 2.158 1.00 0.00 ATOM 651 N ASN A 80 111.960 -2.488 1.210 1.00 0.00 ATOM 652 CA ASN A 80 111.047 -2.749 0.105 1.00 0.00 ATOM 653 CB ASN A 80 110.246 -1.496 -0.256 1.00 0.00 ATOM 654 CG ASN A 80 109.251 -1.112 0.820 1.00 0.00 ATOM 655 ND2 ASN A 80 108.918 0.173 0.885 1.00 0.00 ATOM 656 OD1 ASN A 80 108.787 -1.959 1.583 1.00 0.00 ATOM 657 O ASN A 80 112.736 -2.517 -1.557 1.00 0.00 ATOM 658 C ASN A 80 111.756 -3.157 -1.166 1.00 0.00 ATOM 659 N LEU A 81 111.274 -4.188 -1.822 1.00 0.00 ATOM 660 CA LEU A 81 111.795 -4.613 -3.112 1.00 0.00 ATOM 661 CB LEU A 81 112.414 -6.006 -2.981 1.00 0.00 ATOM 662 CG LEU A 81 113.584 -6.138 -2.005 1.00 0.00 ATOM 663 CD1 LEU A 81 113.986 -7.596 -1.843 1.00 0.00 ATOM 664 CD2 LEU A 81 114.793 -5.365 -2.506 1.00 0.00 ATOM 665 O LEU A 81 109.461 -4.737 -3.591 1.00 0.00 ATOM 666 C LEU A 81 110.597 -4.624 -4.054 1.00 0.00 ATOM 667 N ASP A 82 110.817 -4.521 -5.361 1.00 0.00 ATOM 668 CA ASP A 82 109.671 -4.498 -6.265 1.00 0.00 ATOM 669 CB ASP A 82 110.106 -4.086 -7.673 1.00 0.00 ATOM 670 CG ASP A 82 110.419 -2.607 -7.776 1.00 0.00 ATOM 671 OD1 ASP A 82 110.118 -1.866 -6.816 1.00 0.00 ATOM 672 OD2 ASP A 82 110.965 -2.186 -8.820 1.00 0.00 ATOM 673 O ASP A 82 109.447 -6.873 -5.957 1.00 0.00 ATOM 674 C ASP A 82 108.953 -5.834 -6.400 1.00 0.00 ATOM 675 N PHE A 83 107.774 -5.782 -7.019 1.00 0.00 ATOM 676 CA PHE A 83 106.946 -6.961 -7.206 1.00 0.00 ATOM 677 CB PHE A 83 105.709 -6.620 -8.038 1.00 0.00 ATOM 678 CG PHE A 83 104.824 -7.800 -8.324 1.00 0.00 ATOM 679 CD1 PHE A 83 103.926 -8.256 -7.375 1.00 0.00 ATOM 680 CD2 PHE A 83 104.893 -8.456 -9.542 1.00 0.00 ATOM 681 CE1 PHE A 83 103.114 -9.344 -7.637 1.00 0.00 ATOM 682 CE2 PHE A 83 104.080 -9.542 -9.803 1.00 0.00 ATOM 683 CZ PHE A 83 103.194 -9.987 -8.858 1.00 0.00 ATOM 684 O PHE A 83 107.464 -9.269 -7.447 1.00 0.00 ATOM 685 C PHE A 83 107.570 -8.141 -7.919 1.00 0.00 ATOM 686 N HIS A 84 108.198 -7.893 -9.063 1.00 0.00 ATOM 687 CA HIS A 84 108.831 -8.958 -9.831 1.00 0.00 ATOM 688 CB HIS A 84 109.533 -8.528 -11.015 1.00 0.00 ATOM 689 CG HIS A 84 108.560 -8.238 -12.114 1.00 0.00 ATOM 690 CD2 HIS A 84 108.147 -7.070 -12.661 1.00 0.00 ATOM 691 ND1 HIS A 84 107.794 -9.225 -12.693 1.00 0.00 ATOM 692 CE1 HIS A 84 106.947 -8.679 -13.547 1.00 0.00 ATOM 693 NE2 HIS A 84 107.138 -7.372 -13.546 1.00 0.00 ATOM 694 O HIS A 84 110.017 -10.878 -8.995 1.00 0.00 ATOM 695 C HIS A 84 109.905 -9.650 -8.993 1.00 0.00 ATOM 696 N THR A 85 110.684 -8.859 -8.262 1.00 0.00 ATOM 697 CA THR A 85 111.744 -9.404 -7.419 1.00 0.00 ATOM 698 CB THR A 85 112.613 -8.288 -6.812 1.00 0.00 ATOM 699 CG2 THR A 85 113.676 -8.879 -5.897 1.00 0.00 ATOM 700 OG1 THR A 85 113.258 -7.555 -7.859 1.00 0.00 ATOM 701 O THR A 85 111.700 -11.304 -5.954 1.00 0.00 ATOM 702 C THR A 85 111.193 -10.221 -6.253 1.00 0.00 ATOM 703 N LYS A 86 110.167 -9.699 -5.586 1.00 0.00 ATOM 704 CA LYS A 86 109.565 -10.406 -4.452 1.00 0.00 ATOM 705 CB LYS A 86 108.483 -9.542 -3.820 1.00 0.00 ATOM 706 CG LYS A 86 109.070 -8.409 -2.991 1.00 0.00 ATOM 707 CD LYS A 86 108.120 -7.271 -2.619 1.00 0.00 ATOM 708 CE LYS A 86 108.685 -6.415 -1.482 1.00 0.00 ATOM 709 NZ LYS A 86 107.997 -5.137 -1.216 1.00 0.00 ATOM 710 O LYS A 86 109.057 -12.737 -4.188 1.00 0.00 ATOM 711 C LYS A 86 108.962 -11.736 -4.899 1.00 0.00 ATOM 712 N GLU A 87 108.355 -11.736 -6.087 1.00 0.00 ATOM 713 CA GLU A 87 107.750 -12.955 -6.626 1.00 0.00 ATOM 714 CB GLU A 87 107.111 -12.655 -7.984 1.00 0.00 ATOM 715 CG GLU A 87 106.427 -13.852 -8.625 1.00 0.00 ATOM 716 CD GLU A 87 105.776 -13.510 -9.951 1.00 0.00 ATOM 717 OE1 GLU A 87 105.850 -12.332 -10.362 1.00 0.00 ATOM 718 OE2 GLU A 87 105.194 -14.418 -10.580 1.00 0.00 ATOM 719 O GLU A 87 108.617 -15.183 -6.423 1.00 0.00 ATOM 720 C GLU A 87 108.808 -14.032 -6.817 1.00 0.00 ATOM 721 N VAL A 88 109.920 -13.659 -7.412 1.00 0.00 ATOM 722 CA VAL A 88 111.004 -14.601 -7.649 1.00 0.00 ATOM 723 CB VAL A 88 112.140 -13.958 -8.465 1.00 0.00 ATOM 724 CG1 VAL A 88 113.336 -14.894 -8.544 1.00 0.00 ATOM 725 CG2 VAL A 88 111.674 -13.656 -9.882 1.00 0.00 ATOM 726 O VAL A 88 111.829 -16.273 -6.132 1.00 0.00 ATOM 727 C VAL A 88 111.579 -15.081 -6.321 1.00 0.00 ATOM 728 N ILE A 89 111.750 -14.156 -5.379 1.00 0.00 ATOM 729 CA ILE A 89 112.287 -14.495 -4.068 1.00 0.00 ATOM 730 CB ILE A 89 112.467 -13.243 -3.191 1.00 0.00 ATOM 731 CG1 ILE A 89 113.501 -12.300 -3.811 1.00 0.00 ATOM 732 CG2 ILE A 89 112.945 -13.631 -1.800 1.00 0.00 ATOM 733 CD1 ILE A 89 114.883 -12.904 -3.930 1.00 0.00 ATOM 734 O ILE A 89 111.826 -16.451 -2.744 1.00 0.00 ATOM 735 C ILE A 89 111.371 -15.455 -3.304 1.00 0.00 ATOM 736 N THR A 90 110.080 -15.159 -3.282 1.00 0.00 ATOM 737 CA THR A 90 109.132 -16.024 -2.580 1.00 0.00 ATOM 738 CB THR A 90 107.711 -15.432 -2.592 1.00 0.00 ATOM 739 CG2 THR A 90 106.739 -16.367 -1.892 1.00 0.00 ATOM 740 OG1 THR A 90 107.711 -14.170 -1.914 1.00 0.00 ATOM 741 O THR A 90 109.086 -18.418 -2.531 1.00 0.00 ATOM 742 C THR A 90 109.076 -17.407 -3.228 1.00 0.00 ATOM 743 N ASN A 91 109.052 -17.448 -4.557 1.00 0.00 ATOM 744 CA ASN A 91 109.001 -18.725 -5.264 1.00 0.00 ATOM 745 CB ASN A 91 108.888 -18.496 -6.773 1.00 0.00 ATOM 746 CG ASN A 91 107.521 -17.988 -7.184 1.00 0.00 ATOM 747 ND2 ASN A 91 107.450 -17.363 -8.353 1.00 0.00 ATOM 748 OD1 ASN A 91 106.542 -18.155 -6.458 1.00 0.00 ATOM 749 O ASN A 91 110.233 -20.711 -4.768 1.00 0.00 ATOM 750 C ASN A 91 110.258 -19.511 -4.971 1.00 0.00 ATOM 751 N SER A 92 111.371 -18.785 -4.911 1.00 0.00 ATOM 752 CA SER A 92 112.651 -19.444 -4.650 1.00 0.00 ATOM 753 CB SER A 92 113.851 -18.481 -4.972 1.00 0.00 ATOM 754 OG SER A 92 114.014 -17.449 -4.021 1.00 0.00 ATOM 755 O SER A 92 113.417 -21.005 -3.022 1.00 0.00 ATOM 756 C SER A 92 112.764 -19.989 -3.240 1.00 0.00 ATOM 757 N ILE A 93 112.138 -19.318 -2.280 1.00 0.00 ATOM 758 CA ILE A 93 112.224 -19.750 -0.891 1.00 0.00 ATOM 759 CB ILE A 93 111.541 -18.748 0.058 1.00 0.00 ATOM 760 CG1 ILE A 93 112.335 -17.443 0.118 1.00 0.00 ATOM 761 CG2 ILE A 93 111.449 -19.322 1.463 1.00 0.00 ATOM 762 CD1 ILE A 93 111.604 -16.315 0.815 1.00 0.00 ATOM 763 O ILE A 93 111.951 -21.833 0.273 1.00 0.00 ATOM 764 C ILE A 93 111.554 -21.102 -0.631 1.00 0.00 ATOM 765 N THR A 94 110.465 -21.358 -1.480 1.00 0.00 ATOM 766 CA THR A 94 109.785 -22.644 -1.326 1.00 0.00 ATOM 767 CB THR A 94 108.750 -22.873 -2.442 1.00 0.00 ATOM 768 CG2 THR A 94 108.153 -24.267 -2.339 1.00 0.00 ATOM 769 OG1 THR A 94 107.696 -21.908 -2.326 1.00 0.00 ATOM 770 O THR A 94 110.722 -24.785 -0.678 1.00 0.00 ATOM 771 C THR A 94 110.857 -23.757 -1.355 1.00 0.00 ATOM 772 N GLN A 95 111.938 -23.512 -2.036 1.00 0.00 ATOM 773 CA GLN A 95 113.030 -24.497 -2.152 1.00 0.00 ATOM 774 CB GLN A 95 112.895 -25.220 -3.494 1.00 0.00 ATOM 775 CG GLN A 95 111.523 -25.841 -3.715 1.00 0.00 ATOM 776 CD GLN A 95 111.408 -26.514 -5.062 1.00 0.00 ATOM 777 OE1 GLN A 95 111.783 -25.940 -6.089 1.00 0.00 ATOM 778 NE2 GLN A 95 110.888 -27.741 -5.071 1.00 0.00 ATOM 779 O GLN A 95 114.960 -23.419 -3.103 1.00 0.00 ATOM 780 C GLN A 95 114.326 -23.687 -2.081 1.00 0.00 ATOM 781 N PRO A 96 114.736 -23.292 -0.867 1.00 0.00 ATOM 782 CA PRO A 96 115.946 -22.499 -0.626 1.00 0.00 ATOM 783 CB PRO A 96 116.076 -22.524 0.898 1.00 0.00 ATOM 784 CG PRO A 96 114.645 -22.654 1.351 1.00 0.00 ATOM 785 CD PRO A 96 114.100 -23.684 0.395 1.00 0.00 ATOM 786 O PRO A 96 117.525 -24.286 -0.931 1.00 0.00 ATOM 787 C PRO A 96 117.259 -23.097 -1.111 1.00 0.00 ATOM 788 N THR A 97 118.100 -22.242 -1.672 1.00 0.00 ATOM 789 CA THR A 97 119.405 -22.652 -2.171 1.00 0.00 ATOM 790 CB THR A 97 119.357 -22.872 -3.666 1.00 0.00 ATOM 791 CG2 THR A 97 118.408 -24.002 -4.016 1.00 0.00 ATOM 792 OG1 THR A 97 118.942 -21.668 -4.351 1.00 0.00 ATOM 793 O THR A 97 119.949 -20.423 -1.478 1.00 0.00 ATOM 794 C THR A 97 120.354 -21.498 -1.934 1.00 0.00 ATOM 795 N LEU A 98 121.617 -21.656 -2.344 1.00 0.00 ATOM 796 CA LEU A 98 122.614 -20.597 -2.231 1.00 0.00 ATOM 797 CB LEU A 98 123.950 -21.052 -2.824 1.00 0.00 ATOM 798 CG LEU A 98 124.700 -22.139 -2.049 1.00 0.00 ATOM 799 CD1 LEU A 98 125.907 -22.625 -2.837 1.00 0.00 ATOM 800 CD2 LEU A 98 125.187 -21.605 -0.711 1.00 0.00 ATOM 801 O LEU A 98 122.726 -18.220 -2.534 1.00 0.00 ATOM 802 C LEU A 98 122.298 -19.292 -2.959 1.00 0.00 ATOM 803 N HIS A 99 121.509 -19.353 -4.130 1.00 0.00 ATOM 804 CA HIS A 99 121.159 -18.152 -4.880 1.00 0.00 ATOM 805 CB HIS A 99 121.452 -18.368 -6.364 1.00 0.00 ATOM 806 CG HIS A 99 122.896 -18.620 -6.652 1.00 0.00 ATOM 807 CD2 HIS A 99 123.956 -17.781 -6.680 1.00 0.00 ATOM 808 ND1 HIS A 99 123.397 -19.880 -6.905 1.00 0.00 ATOM 809 CE1 HIS A 99 124.704 -19.803 -7.075 1.00 0.00 ATOM 810 NE2 HIS A 99 125.070 -18.540 -6.943 1.00 0.00 ATOM 811 O HIS A 99 119.254 -16.869 -5.527 1.00 0.00 ATOM 812 C HIS A 99 119.716 -17.693 -4.741 1.00 0.00 ATOM 813 N SER A 100 118.995 -18.228 -3.781 1.00 0.00 ATOM 814 CA SER A 100 117.621 -17.795 -3.545 1.00 0.00 ATOM 815 CB SER A 100 117.041 -18.504 -2.364 1.00 0.00 ATOM 816 OG SER A 100 116.907 -19.880 -2.678 1.00 0.00 ATOM 817 O SER A 100 116.369 -15.735 -3.571 1.00 0.00 ATOM 818 C SER A 100 117.450 -16.285 -3.323 1.00 0.00 ATOM 819 N PHE A 101 118.498 -15.625 -2.843 1.00 0.00 ATOM 820 CA PHE A 101 118.437 -14.182 -2.580 1.00 0.00 ATOM 821 CB PHE A 101 119.007 -13.884 -1.199 1.00 0.00 ATOM 822 CG PHE A 101 118.227 -14.535 -0.077 1.00 0.00 ATOM 823 CD1 PHE A 101 118.835 -15.476 0.758 1.00 0.00 ATOM 824 CD2 PHE A 101 116.890 -14.206 0.146 1.00 0.00 ATOM 825 CE1 PHE A 101 118.126 -16.083 1.797 1.00 0.00 ATOM 826 CE2 PHE A 101 116.167 -14.809 1.185 1.00 0.00 ATOM 827 CZ PHE A 101 116.798 -15.753 2.012 1.00 0.00 ATOM 828 O PHE A 101 119.354 -12.125 -3.404 1.00 0.00 ATOM 829 C PHE A 101 119.188 -13.330 -3.599 1.00 0.00 ATOM 830 N ASP A 102 119.671 -13.956 -4.667 1.00 0.00 ATOM 831 CA ASP A 102 120.410 -13.242 -5.699 1.00 0.00 ATOM 832 CB ASP A 102 120.833 -14.201 -6.814 1.00 0.00 ATOM 833 CG ASP A 102 121.713 -13.533 -7.853 1.00 0.00 ATOM 834 OD1 ASP A 102 122.815 -13.072 -7.491 1.00 0.00 ATOM 835 OD2 ASP A 102 121.299 -13.473 -9.030 1.00 0.00 ATOM 836 O ASP A 102 120.109 -11.057 -6.634 1.00 0.00 ATOM 837 C ASP A 102 119.596 -12.154 -6.394 1.00 0.00 ATOM 838 N ALA A 103 118.246 -12.423 -6.617 1.00 0.00 ATOM 839 CA ALA A 103 117.332 -11.479 -7.268 1.00 0.00 ATOM 840 CB ALA A 103 116.003 -12.152 -7.577 1.00 0.00 ATOM 841 O ALA A 103 117.128 -9.122 -6.846 1.00 0.00 ATOM 842 C ALA A 103 117.079 -10.263 -6.380 1.00 0.00 ATOM 843 N ALA A 104 116.913 -10.507 -5.083 1.00 0.00 ATOM 844 CA ALA A 104 116.672 -9.427 -4.135 1.00 0.00 ATOM 845 CB ALA A 104 116.252 -9.992 -2.787 1.00 0.00 ATOM 846 O ALA A 104 117.874 -7.354 -3.826 1.00 0.00 ATOM 847 C ALA A 104 117.927 -8.598 -3.898 1.00 0.00 ATOM 848 N GLN A 105 119.082 -9.245 -3.779 1.00 0.00 ATOM 849 CA GLN A 105 120.327 -8.529 -3.572 1.00 0.00 ATOM 850 CB GLN A 105 121.493 -9.508 -3.425 1.00 0.00 ATOM 851 CG GLN A 105 122.836 -8.840 -3.174 1.00 0.00 ATOM 852 CD GLN A 105 123.958 -9.841 -2.985 1.00 0.00 ATOM 853 OE1 GLN A 105 123.753 -11.049 -3.108 1.00 0.00 ATOM 854 NE2 GLN A 105 125.151 -9.341 -2.683 1.00 0.00 ATOM 855 O GLN A 105 120.988 -6.466 -4.589 1.00 0.00 ATOM 856 C GLN A 105 120.608 -7.631 -4.755 1.00 0.00 ATOM 857 N SER A 106 120.363 -8.118 -5.958 1.00 0.00 ATOM 858 CA SER A 106 120.580 -7.305 -7.176 1.00 0.00 ATOM 859 CB SER A 106 120.385 -8.154 -8.434 1.00 0.00 ATOM 860 OG SER A 106 121.355 -9.187 -8.508 1.00 0.00 ATOM 861 O SER A 106 120.037 -5.032 -7.682 1.00 0.00 ATOM 862 C SER A 106 119.642 -6.119 -7.260 1.00 0.00 ATOM 863 N ARG A 107 118.393 -6.327 -6.861 1.00 0.00 ATOM 864 CA ARG A 107 117.417 -5.253 -6.891 1.00 0.00 ATOM 865 CB ARG A 107 116.048 -5.760 -6.434 1.00 0.00 ATOM 866 CG ARG A 107 114.978 -4.681 -6.359 1.00 0.00 ATOM 867 CD ARG A 107 114.720 -4.066 -7.723 1.00 0.00 ATOM 868 NE ARG A 107 114.175 -5.039 -8.668 1.00 0.00 ATOM 869 CZ ARG A 107 114.043 -4.821 -9.973 1.00 0.00 ATOM 870 NH1 ARG A 107 113.538 -5.765 -10.754 1.00 0.00 ATOM 871 NH2 ARG A 107 114.418 -3.660 -10.492 1.00 0.00 ATOM 872 O ARG A 107 117.855 -2.950 -6.352 1.00 0.00 ATOM 873 C ARG A 107 117.859 -4.121 -5.962 1.00 0.00 ATOM 874 N VAL A 108 118.290 -4.477 -4.753 1.00 0.00 ATOM 875 CA VAL A 108 118.746 -3.484 -3.781 1.00 0.00 ATOM 876 CB VAL A 108 119.039 -4.126 -2.412 1.00 0.00 ATOM 877 CG1 VAL A 108 119.688 -3.116 -1.478 1.00 0.00 ATOM 878 CG2 VAL A 108 117.753 -4.620 -1.769 1.00 0.00 ATOM 879 O VAL A 108 120.213 -1.611 -4.073 1.00 0.00 ATOM 880 C VAL A 108 120.025 -2.807 -4.266 1.00 0.00 ATOM 881 N TYR A 109 120.897 -3.582 -4.903 1.00 0.00 ATOM 882 CA TYR A 109 122.142 -3.056 -5.440 1.00 0.00 ATOM 883 CB TYR A 109 122.963 -4.165 -6.048 1.00 0.00 ATOM 884 CG TYR A 109 124.344 -3.784 -6.603 1.00 0.00 ATOM 885 CD1 TYR A 109 125.496 -4.067 -5.893 1.00 0.00 ATOM 886 CD2 TYR A 109 124.471 -3.175 -7.839 1.00 0.00 ATOM 887 CE1 TYR A 109 126.775 -3.744 -6.411 1.00 0.00 ATOM 888 CE2 TYR A 109 125.726 -2.835 -8.359 1.00 0.00 ATOM 889 CZ TYR A 109 126.871 -3.127 -7.636 1.00 0.00 ATOM 890 OH TYR A 109 128.118 -2.839 -8.167 1.00 0.00 ATOM 891 O TYR A 109 122.460 -0.878 -6.434 1.00 0.00 ATOM 892 C TYR A 109 121.855 -1.959 -6.466 1.00 0.00 ATOM 893 N GLN A 110 120.943 -2.256 -7.389 1.00 0.00 ATOM 894 CA GLN A 110 120.571 -1.319 -8.447 1.00 0.00 ATOM 895 CB GLN A 110 119.627 -1.988 -9.448 1.00 0.00 ATOM 896 CG GLN A 110 120.287 -3.050 -10.311 1.00 0.00 ATOM 897 CD GLN A 110 119.300 -3.767 -11.211 1.00 0.00 ATOM 898 OE1 GLN A 110 118.091 -3.543 -11.125 1.00 0.00 ATOM 899 NE2 GLN A 110 119.810 -4.632 -12.077 1.00 0.00 ATOM 900 O GLN A 110 120.080 1.034 -8.316 1.00 0.00 ATOM 901 C GLN A 110 119.892 -0.089 -7.847 1.00 0.00 ATOM 902 N LEU A 111 119.065 -0.302 -6.817 1.00 0.00 ATOM 903 CA LEU A 111 118.400 0.816 -6.165 1.00 0.00 ATOM 904 CB LEU A 111 117.463 0.310 -5.074 1.00 0.00 ATOM 905 CG LEU A 111 116.140 -0.289 -5.591 1.00 0.00 ATOM 906 CD1 LEU A 111 115.420 -1.031 -4.479 1.00 0.00 ATOM 907 CD2 LEU A 111 115.265 0.826 -6.180 1.00 0.00 ATOM 908 O LEU A 111 119.272 3.004 -5.701 1.00 0.00 ATOM 909 C LEU A 111 119.399 1.789 -5.541 1.00 0.00 ATOM 910 N MET A 112 120.400 1.257 -4.844 1.00 0.00 ATOM 911 CA MET A 112 121.425 2.100 -4.220 1.00 0.00 ATOM 912 CB MET A 112 122.352 1.346 -3.332 1.00 0.00 ATOM 913 CG MET A 112 121.678 0.834 -2.085 1.00 0.00 ATOM 914 SD MET A 112 122.851 0.201 -0.889 1.00 0.00 ATOM 915 CE MET A 112 123.152 -1.412 -1.636 1.00 0.00 ATOM 916 O MET A 112 122.533 3.991 -5.202 1.00 0.00 ATOM 917 C MET A 112 122.247 2.797 -5.301 1.00 0.00 ATOM 918 N GLU A 113 122.574 2.065 -6.354 1.00 0.00 ATOM 919 CA GLU A 113 123.329 2.665 -7.462 1.00 0.00 ATOM 920 CB GLU A 113 123.684 1.610 -8.511 1.00 0.00 ATOM 921 CG GLU A 113 124.528 2.137 -9.661 1.00 0.00 ATOM 922 CD GLU A 113 124.888 1.057 -10.661 1.00 0.00 ATOM 923 OE1 GLU A 113 124.489 -0.107 -10.448 1.00 0.00 ATOM 924 OE2 GLU A 113 125.569 1.374 -11.658 1.00 0.00 ATOM 925 O GLU A 113 123.035 4.881 -8.320 1.00 0.00 ATOM 926 C GLU A 113 122.540 3.770 -8.152 1.00 0.00 ATOM 927 N GLN A 114 121.288 3.474 -8.485 1.00 0.00 ATOM 928 CA GLN A 114 120.420 4.433 -9.154 1.00 0.00 ATOM 929 CB GLN A 114 119.161 3.679 -9.668 1.00 0.00 ATOM 930 CG GLN A 114 118.143 4.563 -10.363 1.00 0.00 ATOM 931 CD GLN A 114 118.607 5.032 -11.717 1.00 0.00 ATOM 932 OE1 GLN A 114 118.256 4.438 -12.725 1.00 0.00 ATOM 933 NE2 GLN A 114 119.415 6.083 -11.744 1.00 0.00 ATOM 934 O GLN A 114 119.930 6.751 -8.791 1.00 0.00 ATOM 935 C GLN A 114 119.938 5.617 -8.311 1.00 0.00 ATOM 936 N ASP A 115 119.544 5.371 -7.062 1.00 0.00 ATOM 937 CA ASP A 115 119.023 6.451 -6.223 1.00 0.00 ATOM 938 CB ASP A 115 117.840 5.957 -5.387 1.00 0.00 ATOM 939 CG ASP A 115 116.660 5.537 -6.241 1.00 0.00 ATOM 940 OD1 ASP A 115 116.255 6.324 -7.124 1.00 0.00 ATOM 941 OD2 ASP A 115 116.139 4.422 -6.028 1.00 0.00 ATOM 942 O ASP A 115 119.678 8.210 -4.756 1.00 0.00 ATOM 943 C ASP A 115 119.959 7.100 -5.211 1.00 0.00 ATOM 944 N SER A 116 121.079 6.462 -4.880 1.00 0.00 ATOM 945 CA SER A 116 121.956 7.032 -3.858 1.00 0.00 ATOM 946 CB SER A 116 122.061 6.081 -2.662 1.00 0.00 ATOM 947 OG SER A 116 120.806 5.926 -2.025 1.00 0.00 ATOM 948 O SER A 116 123.969 8.268 -3.672 1.00 0.00 ATOM 949 C SER A 116 123.386 7.324 -4.243 1.00 0.00 ATOM 950 N TYR A 117 123.989 6.478 -5.104 1.00 0.00 ATOM 951 CA TYR A 117 125.408 6.660 -5.414 1.00 0.00 ATOM 952 CB TYR A 117 125.825 5.747 -6.568 1.00 0.00 ATOM 953 CG TYR A 117 127.267 5.915 -6.992 1.00 0.00 ATOM 954 CD1 TYR A 117 128.293 5.303 -6.285 1.00 0.00 ATOM 955 CD2 TYR A 117 127.597 6.686 -8.100 1.00 0.00 ATOM 956 CE1 TYR A 117 129.613 5.450 -6.666 1.00 0.00 ATOM 957 CE2 TYR A 117 128.912 6.845 -8.494 1.00 0.00 ATOM 958 CZ TYR A 117 129.922 6.220 -7.765 1.00 0.00 ATOM 959 OH TYR A 117 131.236 6.370 -8.147 1.00 0.00 ATOM 960 O TYR A 117 126.859 8.535 -5.338 1.00 0.00 ATOM 961 C TYR A 117 125.879 8.025 -5.884 1.00 0.00 ATOM 962 N THR A 118 125.198 8.629 -6.849 1.00 0.00 ATOM 963 CA THR A 118 125.561 9.967 -7.328 1.00 0.00 ATOM 964 CB THR A 118 124.710 10.390 -8.540 1.00 0.00 ATOM 965 CG2 THR A 118 125.091 11.791 -8.994 1.00 0.00 ATOM 966 OG1 THR A 118 124.925 9.477 -9.622 1.00 0.00 ATOM 967 O THR A 118 126.265 11.853 -6.025 1.00 0.00 ATOM 968 C THR A 118 125.380 11.025 -6.246 1.00 0.00 ATOM 969 N ARG A 119 124.254 10.979 -5.541 1.00 0.00 ATOM 970 CA ARG A 119 124.008 11.939 -4.471 1.00 0.00 ATOM 971 CB ARG A 119 122.549 11.649 -3.990 1.00 0.00 ATOM 972 CG ARG A 119 122.084 12.496 -2.803 1.00 0.00 ATOM 973 CD ARG A 119 120.564 12.772 -2.757 1.00 0.00 ATOM 974 NE ARG A 119 119.728 11.619 -3.085 1.00 0.00 ATOM 975 CZ ARG A 119 118.921 11.555 -4.138 1.00 0.00 ATOM 976 NH1 ARG A 119 118.852 12.580 -5.001 1.00 0.00 ATOM 977 NH2 ARG A 119 118.191 10.458 -4.343 1.00 0.00 ATOM 978 O ARG A 119 125.523 12.806 -2.806 1.00 0.00 ATOM 979 C ARG A 119 125.089 11.808 -3.392 1.00 0.00 ATOM 980 N PHE A 120 125.524 10.577 -3.129 1.00 0.00 ATOM 981 CA PHE A 120 126.571 10.348 -2.134 1.00 0.00 ATOM 982 CB PHE A 120 126.877 8.853 -2.009 1.00 0.00 ATOM 983 CG PHE A 120 127.972 8.539 -1.031 1.00 0.00 ATOM 984 CD1 PHE A 120 127.718 8.515 0.330 1.00 0.00 ATOM 985 CD2 PHE A 120 129.255 8.266 -1.469 1.00 0.00 ATOM 986 CE1 PHE A 120 128.724 8.224 1.230 1.00 0.00 ATOM 987 CE2 PHE A 120 130.262 7.975 -0.569 1.00 0.00 ATOM 988 CZ PHE A 120 130.002 7.954 0.775 1.00 0.00 ATOM 989 O PHE A 120 128.471 11.762 -1.729 1.00 0.00 ATOM 990 C PHE A 120 127.847 11.075 -2.544 1.00 0.00 ATOM 991 N LEU A 121 128.242 10.933 -3.811 1.00 0.00 ATOM 992 CA LEU A 121 129.458 11.595 -4.276 1.00 0.00 ATOM 993 CB LEU A 121 129.738 11.210 -5.730 1.00 0.00 ATOM 994 CG LEU A 121 130.124 9.751 -5.982 1.00 0.00 ATOM 995 CD1 LEU A 121 130.211 9.468 -7.474 1.00 0.00 ATOM 996 CD2 LEU A 121 131.477 9.438 -5.360 1.00 0.00 ATOM 997 O LEU A 121 130.405 13.774 -3.965 1.00 0.00 ATOM 998 C LEU A 121 129.384 13.115 -4.181 1.00 0.00 ATOM 999 N LYS A 122 128.179 13.662 -4.330 1.00 0.00 ATOM 1000 CA LYS A 122 127.961 15.108 -4.259 1.00 0.00 ATOM 1001 CB LYS A 122 126.748 15.499 -5.104 1.00 0.00 ATOM 1002 CG LYS A 122 126.915 15.231 -6.592 1.00 0.00 ATOM 1003 CD LYS A 122 125.674 15.637 -7.369 1.00 0.00 ATOM 1004 CE LYS A 122 125.822 15.320 -8.848 1.00 0.00 ATOM 1005 NZ LYS A 122 124.622 15.736 -9.627 1.00 0.00 ATOM 1006 O LYS A 122 127.533 16.793 -2.609 1.00 0.00 ATOM 1007 C LYS A 122 127.713 15.596 -2.833 1.00 0.00 ATOM 1008 N SER A 123 127.713 14.675 -1.875 1.00 0.00 ATOM 1009 CA SER A 123 127.442 15.007 -0.476 1.00 0.00 ATOM 1010 CB SER A 123 126.987 13.765 0.301 1.00 0.00 ATOM 1011 OG SER A 123 126.605 14.121 1.638 1.00 0.00 ATOM 1012 O SER A 123 129.817 15.172 -0.078 1.00 0.00 ATOM 1013 C SER A 123 128.680 15.458 0.315 1.00 0.00 ATOM 1014 N ASP A 124 128.442 16.192 1.415 1.00 0.00 ATOM 1015 CA ASP A 124 129.504 16.665 2.304 1.00 0.00 ATOM 1016 CB ASP A 124 128.913 17.481 3.456 1.00 0.00 ATOM 1017 CG ASP A 124 128.420 18.844 3.010 1.00 0.00 ATOM 1018 OD1 ASP A 124 128.739 19.249 1.874 1.00 0.00 ATOM 1019 OD2 ASP A 124 127.713 19.504 3.800 1.00 0.00 ATOM 1020 O ASP A 124 131.493 15.643 3.151 1.00 0.00 ATOM 1021 C ASP A 124 130.300 15.516 2.911 1.00 0.00 ATOM 1022 N ILE A 125 129.635 14.386 3.137 1.00 0.00 ATOM 1023 CA ILE A 125 130.305 13.232 3.718 1.00 0.00 ATOM 1024 CB ILE A 125 129.326 12.065 3.947 1.00 0.00 ATOM 1025 CG1 ILE A 125 128.315 12.426 5.038 1.00 0.00 ATOM 1026 CG2 ILE A 125 130.077 10.815 4.380 1.00 0.00 ATOM 1027 CD1 ILE A 125 127.158 11.456 5.142 1.00 0.00 ATOM 1028 O ILE A 125 132.586 12.661 3.208 1.00 0.00 ATOM 1029 C ILE A 125 131.431 12.775 2.793 1.00 0.00 ATOM 1030 N TYR A 126 131.125 12.555 1.521 1.00 0.00 ATOM 1031 CA TYR A 126 132.145 12.137 0.570 1.00 0.00 ATOM 1032 CB TYR A 126 131.508 11.915 -0.819 1.00 0.00 ATOM 1033 CG TYR A 126 132.518 11.570 -1.894 1.00 0.00 ATOM 1034 CD1 TYR A 126 133.120 10.313 -1.935 1.00 0.00 ATOM 1035 CD2 TYR A 126 132.898 12.514 -2.843 1.00 0.00 ATOM 1036 CE1 TYR A 126 134.083 10.004 -2.895 1.00 0.00 ATOM 1037 CE2 TYR A 126 133.862 12.218 -3.809 1.00 0.00 ATOM 1038 CZ TYR A 126 134.449 10.962 -3.827 1.00 0.00 ATOM 1039 OH TYR A 126 135.410 10.667 -4.772 1.00 0.00 ATOM 1040 O TYR A 126 134.449 12.800 0.325 1.00 0.00 ATOM 1041 C TYR A 126 133.264 13.172 0.422 1.00 0.00 ATOM 1042 N LEU A 127 132.926 14.446 0.258 1.00 0.00 ATOM 1043 CA LEU A 127 133.959 15.460 0.120 1.00 0.00 ATOM 1044 CB LEU A 127 133.277 16.825 0.010 1.00 0.00 ATOM 1045 CG LEU A 127 132.542 17.112 -1.302 1.00 0.00 ATOM 1046 CD1 LEU A 127 131.774 18.422 -1.212 1.00 0.00 ATOM 1047 CD2 LEU A 127 133.524 17.213 -2.457 1.00 0.00 ATOM 1048 O LEU A 127 136.083 15.645 1.190 1.00 0.00 ATOM 1049 C LEU A 127 134.876 15.495 1.340 1.00 0.00 ATOM 1050 N ASP A 128 134.328 15.276 2.539 1.00 0.00 ATOM 1051 CA ASP A 128 135.166 15.243 3.734 1.00 0.00 ATOM 1052 CB ASP A 128 134.299 15.175 4.994 1.00 0.00 ATOM 1053 CG ASP A 128 133.603 16.489 5.294 1.00 0.00 ATOM 1054 OD1 ASP A 128 133.976 17.511 4.682 1.00 0.00 ATOM 1055 OD2 ASP A 128 132.686 16.495 6.141 1.00 0.00 ATOM 1056 O ASP A 128 137.260 14.117 4.032 1.00 0.00 ATOM 1057 C ASP A 128 136.080 14.029 3.695 1.00 0.00 ATOM 1058 N LEU A 129 135.526 12.873 3.275 1.00 0.00 ATOM 1059 CA LEU A 129 136.288 11.637 3.182 1.00 0.00 ATOM 1060 CB LEU A 129 135.392 10.513 2.656 1.00 0.00 ATOM 1061 CG LEU A 129 134.284 10.034 3.597 1.00 0.00 ATOM 1062 CD1 LEU A 129 133.364 9.052 2.886 1.00 0.00 ATOM 1063 CD2 LEU A 129 134.874 9.338 4.813 1.00 0.00 ATOM 1064 O LEU A 129 138.585 11.371 2.500 1.00 0.00 ATOM 1065 C LEU A 129 137.474 11.823 2.231 1.00 0.00 ATOM 1066 N MET A 130 137.212 12.477 1.106 1.00 0.00 ATOM 1067 CA MET A 130 138.240 12.720 0.100 1.00 0.00 ATOM 1068 CB MET A 130 137.620 13.325 -1.162 1.00 0.00 ATOM 1069 CG MET A 130 138.624 13.635 -2.260 1.00 0.00 ATOM 1070 SD MET A 130 137.861 14.390 -3.707 1.00 0.00 ATOM 1071 CE MET A 130 137.490 16.027 -3.081 1.00 0.00 ATOM 1072 O MET A 130 140.513 13.460 0.370 1.00 0.00 ATOM 1073 C MET A 130 139.321 13.687 0.581 1.00 0.00 ATOM 1074 N GLU A 131 138.904 14.780 1.204 1.00 0.00 ATOM 1075 CA GLU A 131 139.833 15.787 1.715 1.00 0.00 ATOM 1076 CB GLU A 131 139.066 16.945 2.356 1.00 0.00 ATOM 1077 CG GLU A 131 138.325 17.826 1.363 1.00 0.00 ATOM 1078 CD GLU A 131 137.480 18.886 2.041 1.00 0.00 ATOM 1079 OE1 GLU A 131 137.414 18.886 3.289 1.00 0.00 ATOM 1080 OE2 GLU A 131 136.883 19.716 1.325 1.00 0.00 ATOM 1081 O GLU A 131 141.973 15.464 2.782 1.00 0.00 ATOM 1082 C GLU A 131 140.772 15.193 2.779 1.00 0.00 ATOM 1083 N GLY A 132 140.220 14.404 3.697 1.00 0.00 ATOM 1084 CA GLY A 132 141.035 13.725 4.703 1.00 0.00 ATOM 1085 O GLY A 132 143.144 12.616 4.513 1.00 0.00 ATOM 1086 C GLY A 132 142.012 12.753 4.057 1.00 0.00 ENDMDL EXPDTA 2jm5A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2jm5A ATOM 1 N SER 1 138.415 3.968 9.390 1.00 0.00 ATOM 2 CA SER 1 138.458 4.242 7.980 1.00 0.00 ATOM 3 CB SER 1 137.207 5.008 7.560 1.00 0.00 ATOM 4 OG SER 1 136.029 4.256 7.871 1.00 0.00 ATOM 5 O SER 1 140.045 6.016 8.259 1.00 0.00 ATOM 6 C SER 1 139.716 5.014 7.625 1.00 0.00 ATOM 7 N MET 2 140.425 4.529 6.640 1.00 0.00 ATOM 8 CA MET 2 141.631 5.168 6.173 1.00 0.00 ATOM 9 CB MET 2 142.875 4.569 6.859 1.00 0.00 ATOM 10 CG MET 2 144.196 5.204 6.432 1.00 0.00 ATOM 11 SD MET 2 145.634 4.489 7.274 1.00 0.00 ATOM 12 CE MET 2 145.523 2.776 6.739 1.00 0.00 ATOM 13 O MET 2 142.133 3.979 4.162 1.00 0.00 ATOM 14 C MET 2 141.718 5.019 4.669 1.00 0.00 ATOM 15 N VAL 3 141.269 6.021 3.966 1.00 0.00 ATOM 16 CA VAL 3 141.264 6.004 2.519 1.00 0.00 ATOM 17 CB VAL 3 139.802 5.869 1.945 1.00 0.00 ATOM 18 CG1 VAL 3 138.878 6.914 2.541 1.00 0.00 ATOM 19 CG2 VAL 3 139.789 6.005 0.436 1.00 0.00 ATOM 20 O VAL 3 141.710 8.361 2.387 1.00 0.00 ATOM 21 C VAL 3 141.966 7.240 1.957 1.00 0.00 ATOM 22 N SER 4 142.867 7.025 1.044 1.00 0.00 ATOM 23 CA SER 4 143.544 8.098 0.383 1.00 0.00 ATOM 24 CB SER 4 144.789 7.546 -0.335 1.00 0.00 ATOM 25 OG SER 4 144.476 6.380 -1.104 1.00 0.00 ATOM 26 O SER 4 141.745 8.118 -1.200 1.00 0.00 ATOM 27 C SER 4 142.577 8.789 -0.580 1.00 0.00 ATOM 28 N PRO 5 142.620 10.145 -0.667 1.00 0.00 ATOM 29 CA PRO 5 141.762 10.932 -1.576 1.00 0.00 ATOM 30 CB PRO 5 142.427 12.304 -1.573 1.00 0.00 ATOM 31 CG PRO 5 143.010 12.418 -0.210 1.00 0.00 ATOM 32 CD PRO 5 143.470 11.031 0.163 1.00 0.00 ATOM 33 O PRO 5 140.667 10.454 -3.658 1.00 0.00 ATOM 34 C PRO 5 141.698 10.358 -3.000 1.00 0.00 ATOM 35 N GLU 6 142.789 9.729 -3.442 1.00 0.00 ATOM 36 CA GLU 6 142.831 9.083 -4.752 1.00 0.00 ATOM 37 CB GLU 6 144.233 8.563 -5.047 1.00 0.00 ATOM 38 CG GLU 6 144.354 7.871 -6.392 1.00 0.00 ATOM 39 CD GLU 6 145.724 7.330 -6.634 1.00 0.00 ATOM 40 OE1 GLU 6 146.584 8.068 -7.143 1.00 0.00 ATOM 41 OE2 GLU 6 145.976 6.139 -6.321 1.00 0.00 ATOM 42 O GLU 6 140.926 7.908 -5.618 1.00 0.00 ATOM 43 C GLU 6 141.827 7.923 -4.801 1.00 0.00 ATOM 44 N GLU 7 141.976 6.992 -3.878 1.00 0.00 ATOM 45 CA GLU 7 141.118 5.813 -3.766 1.00 0.00 ATOM 46 CB GLU 7 141.668 4.967 -2.591 1.00 0.00 ATOM 47 CG GLU 7 140.809 3.818 -2.055 1.00 0.00 ATOM 48 CD GLU 7 140.516 2.727 -3.035 1.00 0.00 ATOM 49 OE1 GLU 7 141.438 2.274 -3.765 1.00 0.00 ATOM 50 OE2 GLU 7 139.382 2.246 -3.056 1.00 0.00 ATOM 51 O GLU 7 138.738 5.675 -4.043 1.00 0.00 ATOM 52 C GLU 7 139.671 6.267 -3.527 1.00 0.00 ATOM 53 N ALA 8 139.516 7.362 -2.796 1.00 0.00 ATOM 54 CA ALA 8 138.211 7.917 -2.532 1.00 0.00 ATOM 55 CB ALA 8 138.253 8.941 -1.398 1.00 0.00 ATOM 56 O ALA 8 136.418 8.150 -4.098 1.00 0.00 ATOM 57 C ALA 8 137.562 8.479 -3.812 1.00 0.00 ATOM 58 N VAL 9 138.291 9.304 -4.611 1.00 0.00 ATOM 59 CA VAL 9 137.727 9.823 -5.897 1.00 0.00 ATOM 60 CB VAL 9 138.633 10.877 -6.653 1.00 0.00 ATOM 61 CG1 VAL 9 138.932 12.093 -5.807 1.00 0.00 ATOM 62 CG2 VAL 9 139.918 10.274 -7.197 1.00 0.00 ATOM 63 O VAL 9 136.493 8.749 -7.681 1.00 0.00 ATOM 64 C VAL 9 137.400 8.666 -6.845 1.00 0.00 ATOM 65 N LYS 10 138.126 7.584 -6.673 1.00 0.00 ATOM 66 CA LYS 10 137.945 6.361 -7.423 1.00 0.00 ATOM 67 CB LYS 10 139.108 5.435 -7.146 1.00 0.00 ATOM 68 CG LYS 10 140.421 5.870 -7.763 1.00 0.00 ATOM 69 CD LYS 10 140.415 5.636 -9.242 1.00 0.00 ATOM 70 CE LYS 10 140.285 4.155 -9.507 1.00 0.00 ATOM 71 NZ LYS 10 140.280 3.846 -10.952 1.00 0.00 ATOM 72 O LYS 10 136.084 4.902 -7.870 1.00 0.00 ATOM 73 C LYS 10 136.612 5.678 -7.086 1.00 0.00 ATOM 74 N TRP 11 136.073 5.968 -5.926 1.00 0.00 ATOM 75 CA TRP 11 134.767 5.447 -5.542 1.00 0.00 ATOM 76 CB TRP 11 134.516 5.619 -4.041 1.00 0.00 ATOM 77 CG TRP 11 135.466 4.875 -3.165 1.00 0.00 ATOM 78 CD1 TRP 11 136.330 3.892 -3.535 1.00 0.00 ATOM 79 CD2 TRP 11 135.619 5.033 -1.759 1.00 0.00 ATOM 80 CE2 TRP 11 136.619 4.142 -1.348 1.00 0.00 ATOM 81 CE3 TRP 11 135.016 5.859 -0.810 1.00 0.00 ATOM 82 NE1 TRP 11 137.045 3.466 -2.458 1.00 0.00 ATOM 83 CZ2 TRP 11 137.024 4.048 -0.029 1.00 0.00 ATOM 84 CZ3 TRP 11 135.417 5.756 0.504 1.00 0.00 ATOM 85 CH2 TRP 11 136.410 4.861 0.881 1.00 0.00 ATOM 86 O TRP 11 132.604 5.638 -6.540 1.00 0.00 ATOM 87 C TRP 11 133.683 6.173 -6.311 1.00 0.00 ATOM 88 N GLY 12 134.014 7.369 -6.776 1.00 0.00 ATOM 89 CA GLY 12 133.060 8.216 -7.458 1.00 0.00 ATOM 90 O GLY 12 132.314 8.646 -9.681 1.00 0.00 ATOM 91 C GLY 12 132.938 7.898 -8.929 1.00 0.00 ATOM 92 N GLU 13 133.563 6.815 -9.346 1.00 0.00 ATOM 93 CA GLU 13 133.468 6.362 -10.719 1.00 0.00 ATOM 94 CB GLU 13 134.818 6.525 -11.443 1.00 0.00 ATOM 95 CG GLU 13 135.981 5.805 -10.774 1.00 0.00 ATOM 96 CD GLU 13 137.312 6.136 -11.394 1.00 0.00 ATOM 97 OE1 GLU 13 137.713 7.312 -11.346 1.00 0.00 ATOM 98 OE2 GLU 13 137.997 5.228 -11.918 1.00 0.00 ATOM 99 O GLU 13 132.727 4.376 -11.868 1.00 0.00 ATOM 100 C GLU 13 132.968 4.918 -10.781 1.00 0.00 ATOM 101 N SER 14 132.817 4.287 -9.618 1.00 0.00 ATOM 102 CA SER 14 132.355 2.907 -9.535 1.00 0.00 ATOM 103 CB SER 14 133.516 1.925 -9.830 1.00 0.00 ATOM 104 OG SER 14 134.053 2.120 -11.135 1.00 0.00 ATOM 105 O SER 14 132.502 2.451 -7.162 1.00 0.00 ATOM 106 C SER 14 131.759 2.601 -8.147 1.00 0.00 ATOM 107 N PHE 15 130.427 2.504 -8.071 1.00 0.00 ATOM 108 CA PHE 15 129.728 2.164 -6.826 1.00 0.00 ATOM 109 CB PHE 15 128.192 2.194 -7.016 1.00 0.00 ATOM 110 CG PHE 15 127.385 1.803 -5.786 1.00 0.00 ATOM 111 CD1 PHE 15 127.520 2.492 -4.593 1.00 0.00 ATOM 112 CD2 PHE 15 126.483 0.752 -5.836 1.00 0.00 ATOM 113 CE1 PHE 15 126.777 2.142 -3.481 1.00 0.00 ATOM 114 CE2 PHE 15 125.741 0.402 -4.721 1.00 0.00 ATOM 115 CZ PHE 15 125.890 1.097 -3.548 1.00 0.00 ATOM 116 O PHE 15 130.305 0.594 -5.123 1.00 0.00 ATOM 117 C PHE 15 130.177 0.802 -6.323 1.00 0.00 ATOM 118 N ASP 16 130.465 -0.102 -7.247 1.00 0.00 ATOM 119 CA ASP 16 130.917 -1.441 -6.886 1.00 0.00 ATOM 120 CB ASP 16 131.040 -2.339 -8.112 1.00 0.00 ATOM 121 CG ASP 16 131.448 -3.743 -7.750 1.00 0.00 ATOM 122 OD1 ASP 16 130.582 -4.530 -7.347 1.00 0.00 ATOM 123 OD2 ASP 16 132.637 -4.083 -7.875 1.00 0.00 ATOM 124 O ASP 16 132.467 -2.115 -5.197 1.00 0.00 ATOM 125 C ASP 16 132.248 -1.382 -6.154 1.00 0.00 ATOM 126 N LYS 17 133.114 -0.465 -6.573 1.00 0.00 ATOM 127 CA LYS 17 134.420 -0.307 -5.946 1.00 0.00 ATOM 128 CB LYS 17 135.296 0.667 -6.721 1.00 0.00 ATOM 129 CG LYS 17 136.571 1.025 -5.997 1.00 0.00 ATOM 130 CD LYS 17 137.436 1.948 -6.809 1.00 0.00 ATOM 131 CE LYS 17 138.650 2.378 -6.019 1.00 0.00 ATOM 132 NZ LYS 17 139.546 1.265 -5.658 1.00 0.00 ATOM 133 O LYS 17 134.850 -0.348 -3.606 1.00 0.00 ATOM 134 C LYS 17 134.250 0.189 -4.540 1.00 0.00 ATOM 135 N LEU 18 133.407 1.184 -4.412 1.00 0.00 ATOM 136 CA LEU 18 133.069 1.801 -3.153 1.00 0.00 ATOM 137 CB LEU 18 131.950 2.814 -3.418 1.00 0.00 ATOM 138 CG LEU 18 131.188 3.349 -2.210 1.00 0.00 ATOM 139 CD1 LEU 18 132.075 4.177 -1.323 1.00 0.00 ATOM 140 CD2 LEU 18 130.019 4.155 -2.675 1.00 0.00 ATOM 141 O LEU 18 133.110 0.572 -1.106 1.00 0.00 ATOM 142 C LEU 18 132.570 0.758 -2.188 1.00 0.00 ATOM 143 N LEU 19 131.597 0.046 -2.650 1.00 0.00 ATOM 144 CA LEU 19 130.865 -0.901 -1.881 1.00 0.00 ATOM 145 CB LEU 19 129.684 -1.310 -2.707 1.00 0.00 ATOM 146 CG LEU 19 128.497 -1.813 -1.969 1.00 0.00 ATOM 147 CD1 LEU 19 128.004 -0.730 -1.011 1.00 0.00 ATOM 148 CD2 LEU 19 127.441 -2.154 -2.977 1.00 0.00 ATOM 149 O LEU 19 131.537 -2.703 -0.443 1.00 0.00 ATOM 150 C LEU 19 131.709 -2.117 -1.509 1.00 0.00 ATOM 151 N SER 20 132.603 -2.502 -2.383 1.00 0.00 ATOM 152 CA SER 20 133.461 -3.627 -2.111 1.00 0.00 ATOM 153 CB SER 20 133.942 -4.251 -3.414 1.00 0.00 ATOM 154 OG SER 20 132.833 -4.652 -4.216 1.00 0.00 ATOM 155 O SER 20 135.219 -4.055 -0.519 1.00 0.00 ATOM 156 C SER 20 134.640 -3.220 -1.223 1.00 0.00 ATOM 157 N HIS 21 134.965 -1.941 -1.213 1.00 0.00 ATOM 158 CA HIS 21 136.081 -1.457 -0.432 1.00 0.00 ATOM 159 CB HIS 21 136.542 -0.062 -0.924 1.00 0.00 ATOM 160 CG HIS 21 137.956 0.284 -0.571 1.00 0.00 ATOM 161 CD2 HIS 21 139.121 -0.141 -1.108 1.00 0.00 ATOM 162 ND1 HIS 21 138.303 1.178 0.410 1.00 0.00 ATOM 163 CE1 HIS 21 139.613 1.280 0.462 1.00 0.00 ATOM 164 NE2 HIS 21 140.131 0.494 -0.440 1.00 0.00 ATOM 165 O HIS 21 134.559 -0.738 1.214 1.00 0.00 ATOM 166 C HIS 21 135.585 -1.353 0.985 1.00 0.00 ATOM 167 N ARG 22 136.288 -1.941 1.921 1.00 0.00 ATOM 168 CA ARG 22 135.842 -1.949 3.329 1.00 0.00 ATOM 169 CB ARG 22 136.786 -2.765 4.234 1.00 0.00 ATOM 170 CG ARG 22 136.561 -4.282 4.217 1.00 0.00 ATOM 171 CD ARG 22 136.684 -4.897 2.831 1.00 0.00 ATOM 172 NE ARG 22 136.446 -6.340 2.861 1.00 0.00 ATOM 173 CZ ARG 22 135.718 -7.027 1.973 1.00 0.00 ATOM 174 NH1 ARG 22 135.099 -6.395 0.977 1.00 0.00 ATOM 175 NH2 ARG 22 135.618 -8.346 2.083 1.00 0.00 ATOM 176 O ARG 22 134.645 -0.259 4.536 1.00 0.00 ATOM 177 C ARG 22 135.635 -0.537 3.867 1.00 0.00 ATOM 178 N ASP 23 136.541 0.357 3.525 1.00 0.00 ATOM 179 CA ASP 23 136.427 1.769 3.919 1.00 0.00 ATOM 180 CB ASP 23 137.730 2.548 3.670 1.00 0.00 ATOM 181 CG ASP 23 138.888 2.059 4.491 1.00 0.00 ATOM 182 OD1 ASP 23 139.714 1.313 3.971 1.00 0.00 ATOM 183 OD2 ASP 23 138.975 2.394 5.681 1.00 0.00 ATOM 184 O ASP 23 134.733 3.428 3.667 1.00 0.00 ATOM 185 C ASP 23 135.297 2.462 3.180 1.00 0.00 ATOM 186 N GLY 24 134.947 1.949 2.017 1.00 0.00 ATOM 187 CA GLY 24 133.933 2.596 1.212 1.00 0.00 ATOM 188 O GLY 24 131.678 2.990 1.743 1.00 0.00 ATOM 189 C GLY 24 132.577 2.168 1.608 1.00 0.00 ATOM 190 N LEU 25 132.426 0.878 1.803 1.00 0.00 ATOM 191 CA LEU 25 131.212 0.307 2.331 1.00 0.00 ATOM 192 CB LEU 25 131.361 -1.241 2.427 1.00 0.00 ATOM 193 CG LEU 25 130.816 -1.969 3.676 1.00 0.00 ATOM 194 CD1 LEU 25 130.546 -3.427 3.334 1.00 0.00 ATOM 195 CD2 LEU 25 131.857 -1.925 4.804 1.00 0.00 ATOM 196 O LEU 25 129.741 1.189 3.996 1.00 0.00 ATOM 197 C LEU 25 130.891 0.959 3.662 1.00 0.00 ATOM 198 N GLU 26 131.941 1.302 4.374 1.00 0.00 ATOM 199 CA GLU 26 131.851 1.956 5.633 1.00 0.00 ATOM 200 CB GLU 26 133.195 1.874 6.312 1.00 0.00 ATOM 201 CG GLU 26 133.218 2.320 7.758 1.00 0.00 ATOM 202 CD GLU 26 132.365 1.447 8.635 1.00 0.00 ATOM 203 OE1 GLU 26 132.599 0.219 8.669 1.00 0.00 ATOM 204 OE2 GLU 26 131.482 1.959 9.340 1.00 0.00 ATOM 205 O GLU 26 130.539 3.885 6.173 1.00 0.00 ATOM 206 C GLU 26 131.401 3.412 5.443 1.00 0.00 ATOM 207 N ALA 27 131.936 4.105 4.421 1.00 0.00 ATOM 208 CA ALA 27 131.532 5.500 4.185 1.00 0.00 ATOM 209 CB ALA 27 132.415 6.177 3.119 1.00 0.00 ATOM 210 O ALA 27 129.266 6.363 4.226 1.00 0.00 ATOM 211 C ALA 27 130.068 5.534 3.754 1.00 0.00 ATOM 212 N PHE 28 129.714 4.587 2.914 1.00 0.00 ATOM 213 CA PHE 28 128.385 4.508 2.366 1.00 0.00 ATOM 214 CB PHE 28 128.339 3.563 1.156 1.00 0.00 ATOM 215 CG PHE 28 127.031 3.598 0.417 1.00 0.00 ATOM 216 CD1 PHE 28 126.073 2.619 0.610 1.00 0.00 ATOM 217 CD2 PHE 28 126.758 4.629 -0.466 1.00 0.00 ATOM 218 CE1 PHE 28 124.873 2.668 -0.062 1.00 0.00 ATOM 219 CE2 PHE 28 125.562 4.682 -1.141 1.00 0.00 ATOM 220 CZ PHE 28 124.618 3.702 -0.940 1.00 0.00 ATOM 221 O PHE 28 126.296 4.612 3.513 1.00 0.00 ATOM 222 C PHE 28 127.394 4.069 3.427 1.00 0.00 ATOM 223 N THR 29 127.787 3.110 4.268 1.00 0.00 ATOM 224 CA THR 29 126.892 2.634 5.285 1.00 0.00 ATOM 225 CB THR 29 127.336 1.291 5.988 1.00 0.00 ATOM 226 CG2 THR 29 128.517 1.496 6.930 1.00 0.00 ATOM 227 OG1 THR 29 126.242 0.757 6.758 1.00 0.00 ATOM 228 O THR 29 125.544 3.772 6.830 1.00 0.00 ATOM 229 C THR 29 126.611 3.730 6.301 1.00 0.00 ATOM 230 N ARG 30 127.559 4.646 6.511 1.00 0.00 ATOM 231 CA ARG 30 127.346 5.779 7.415 1.00 0.00 ATOM 232 CB ARG 30 128.627 6.570 7.612 1.00 0.00 ATOM 233 CG ARG 30 129.668 5.837 8.416 1.00 0.00 ATOM 234 CD ARG 30 130.967 6.610 8.482 1.00 0.00 ATOM 235 NE ARG 30 130.821 7.997 8.976 1.00 0.00 ATOM 236 CZ ARG 30 131.851 8.856 9.071 1.00 0.00 ATOM 237 NH1 ARG 30 133.088 8.414 8.908 1.00 0.00 ATOM 238 NH2 ARG 30 131.649 10.140 9.366 1.00 0.00 ATOM 239 O ARG 30 125.317 7.044 7.607 1.00 0.00 ATOM 240 C ARG 30 126.250 6.678 6.881 1.00 0.00 ATOM 241 N PHE 31 126.338 6.980 5.598 1.00 0.00 ATOM 242 CA PHE 31 125.343 7.795 4.912 1.00 0.00 ATOM 243 CB PHE 31 125.813 8.062 3.468 1.00 0.00 ATOM 244 CG PHE 31 124.868 8.887 2.641 1.00 0.00 ATOM 245 CD1 PHE 31 124.841 10.262 2.770 1.00 0.00 ATOM 246 CD2 PHE 31 124.011 8.286 1.732 1.00 0.00 ATOM 247 CE1 PHE 31 123.978 11.025 2.011 1.00 0.00 ATOM 248 CE2 PHE 31 123.146 9.043 0.974 1.00 0.00 ATOM 249 CZ PHE 31 123.130 10.415 1.115 1.00 0.00 ATOM 250 O PHE 31 122.916 7.711 4.999 1.00 0.00 ATOM 251 C PHE 31 123.974 7.084 4.921 1.00 0.00 ATOM 252 N LEU 32 124.018 5.787 4.877 1.00 0.00 ATOM 253 CA LEU 32 122.830 4.975 4.849 1.00 0.00 ATOM 254 CB LEU 32 123.208 3.630 4.235 1.00 0.00 ATOM 255 CG LEU 32 122.096 2.801 3.635 1.00 0.00 ATOM 256 CD1 LEU 32 121.389 3.576 2.528 1.00 0.00 ATOM 257 CD2 LEU 32 122.673 1.517 3.083 1.00 0.00 ATOM 258 O LEU 32 121.024 4.720 6.475 1.00 0.00 ATOM 259 C LEU 32 122.244 4.814 6.285 1.00 0.00 ATOM 260 N LYS 33 123.126 4.808 7.283 1.00 0.00 ATOM 261 CA LYS 33 122.752 4.688 8.699 1.00 0.00 ATOM 262 CB LYS 33 123.975 4.361 9.585 1.00 0.00 ATOM 263 CG LYS 33 124.488 2.932 9.514 1.00 0.00 ATOM 264 CD LYS 33 125.793 2.784 10.285 1.00 0.00 ATOM 265 CE LYS 33 126.258 1.333 10.357 1.00 0.00 ATOM 266 NZ LYS 33 125.358 0.503 11.186 1.00 0.00 ATOM 267 O LYS 33 121.131 5.899 9.953 1.00 0.00 ATOM 268 C LYS 33 122.123 5.959 9.225 1.00 0.00 ATOM 269 N THR 34 122.686 7.095 8.844 1.00 0.00 ATOM 270 CA THR 34 122.277 8.389 9.374 1.00 0.00 ATOM 271 CB THR 34 123.220 9.544 8.865 1.00 0.00 ATOM 272 CG2 THR 34 123.104 9.754 7.375 1.00 0.00 ATOM 273 OG1 THR 34 122.945 10.786 9.532 1.00 0.00 ATOM 274 O THR 34 120.133 9.351 9.979 1.00 0.00 ATOM 275 C THR 34 120.771 8.702 9.140 1.00 0.00 ATOM 276 N GLU 35 120.199 8.196 8.050 1.00 0.00 ATOM 277 CA GLU 35 118.782 8.430 7.769 1.00 0.00 ATOM 278 CB GLU 35 118.588 8.991 6.366 1.00 0.00 ATOM 279 CG GLU 35 119.131 8.122 5.251 1.00 0.00 ATOM 280 CD GLU 35 118.890 8.748 3.912 1.00 0.00 ATOM 281 OE1 GLU 35 119.391 9.856 3.675 1.00 0.00 ATOM 282 OE2 GLU 35 118.217 8.144 3.054 1.00 0.00 ATOM 283 O GLU 35 116.765 7.113 7.627 1.00 0.00 ATOM 284 C GLU 35 117.956 7.160 7.965 1.00 0.00 ATOM 285 N PHE 36 118.595 6.155 8.541 1.00 0.00 ATOM 286 CA PHE 36 117.994 4.856 8.835 1.00 0.00 ATOM 287 CB PHE 36 116.916 4.943 9.934 1.00 0.00 ATOM 288 CG PHE 36 117.426 5.437 11.261 1.00 0.00 ATOM 289 CD1 PHE 36 117.433 6.792 11.560 1.00 0.00 ATOM 290 CD2 PHE 36 117.894 4.547 12.210 1.00 0.00 ATOM 291 CE1 PHE 36 117.896 7.246 12.776 1.00 0.00 ATOM 292 CE2 PHE 36 118.360 4.998 13.431 1.00 0.00 ATOM 293 CZ PHE 36 118.361 6.348 13.714 1.00 0.00 ATOM 294 O PHE 36 116.248 4.088 7.334 1.00 0.00 ATOM 295 C PHE 36 117.462 4.141 7.588 1.00 0.00 ATOM 296 N SER 37 118.371 3.679 6.776 1.00 0.00 ATOM 297 CA SER 37 118.060 2.867 5.611 1.00 0.00 ATOM 298 CB SER 37 117.845 3.762 4.390 1.00 0.00 ATOM 299 OG SER 37 116.781 4.688 4.627 1.00 0.00 ATOM 300 O SER 37 119.430 1.379 4.290 1.00 0.00 ATOM 301 C SER 37 119.222 1.908 5.383 1.00 0.00 ATOM 302 N GLU 38 119.914 1.611 6.475 1.00 0.00 ATOM 303 CA GLU 38 121.146 0.841 6.441 1.00 0.00 ATOM 304 CB GLU 38 121.906 1.026 7.753 1.00 0.00 ATOM 305 CG GLU 38 121.149 0.514 8.959 1.00 0.00 ATOM 306 CD GLU 38 121.825 0.804 10.259 1.00 0.00 ATOM 307 OE1 GLU 38 122.836 0.171 10.563 1.00 0.00 ATOM 308 OE2 GLU 38 121.326 1.642 11.032 1.00 0.00 ATOM 309 O GLU 38 121.786 -1.386 5.798 1.00 0.00 ATOM 310 C GLU 38 120.881 -0.641 6.185 1.00 0.00 ATOM 311 N GLU 39 119.631 -1.054 6.335 1.00 0.00 ATOM 312 CA GLU 39 119.287 -2.452 6.184 1.00 0.00 ATOM 313 CB GLU 39 118.017 -2.880 6.965 1.00 0.00 ATOM 314 CG GLU 39 116.732 -2.115 6.664 1.00 0.00 ATOM 315 CD GLU 39 116.739 -0.724 7.223 1.00 0.00 ATOM 316 OE1 GLU 39 116.937 0.219 6.477 1.00 0.00 ATOM 317 OE2 GLU 39 116.588 -0.556 8.459 1.00 0.00 ATOM 318 O GLU 39 118.944 -4.016 4.451 1.00 0.00 ATOM 319 C GLU 39 119.224 -2.884 4.732 1.00 0.00 ATOM 320 N ASN 40 119.497 -1.973 3.824 1.00 0.00 ATOM 321 CA ASN 40 119.601 -2.323 2.409 1.00 0.00 ATOM 322 CB ASN 40 119.320 -1.107 1.510 1.00 0.00 ATOM 323 CG ASN 40 117.881 -0.632 1.590 1.00 0.00 ATOM 324 ND2 ASN 40 117.666 0.637 1.383 1.00 0.00 ATOM 325 OD1 ASN 40 116.963 -1.417 1.812 1.00 0.00 ATOM 326 O ASN 40 121.185 -4.000 1.560 1.00 0.00 ATOM 327 C ASN 40 120.998 -2.878 2.144 1.00 0.00 ATOM 328 N ILE 41 121.995 -2.156 2.648 1.00 0.00 ATOM 329 CA ILE 41 123.360 -2.597 2.509 1.00 0.00 ATOM 330 CB ILE 41 124.411 -1.497 2.952 1.00 0.00 ATOM 331 CG1 ILE 41 125.653 -1.546 2.038 1.00 0.00 ATOM 332 CG2 ILE 41 124.821 -1.613 4.443 1.00 0.00 ATOM 333 CD1 ILE 41 126.714 -0.515 2.370 1.00 0.00 ATOM 334 O ILE 41 124.123 -4.840 2.878 1.00 0.00 ATOM 335 C ILE 41 123.504 -3.879 3.314 1.00 0.00 ATOM 336 N GLU 42 122.824 -3.921 4.461 1.00 0.00 ATOM 337 CA GLU 42 122.851 -5.083 5.268 1.00 0.00 ATOM 338 CB GLU 42 122.905 -4.803 6.756 1.00 0.00 ATOM 339 CG GLU 42 124.318 -4.467 7.222 1.00 0.00 ATOM 340 CD GLU 42 124.400 -4.160 8.686 1.00 0.00 ATOM 341 OE1 GLU 42 124.388 -5.111 9.516 1.00 0.00 ATOM 342 OE2 GLU 42 124.482 -2.971 9.054 1.00 0.00 ATOM 343 O GLU 42 121.844 -7.244 5.397 1.00 0.00 ATOM 344 C GLU 42 121.839 -6.138 4.861 1.00 0.00 ATOM 345 N PHE 43 120.993 -5.799 3.903 1.00 0.00 ATOM 346 CA PHE 43 120.097 -6.754 3.278 1.00 0.00 ATOM 347 CB PHE 43 119.199 -6.067 2.224 1.00 0.00 ATOM 348 CG PHE 43 118.459 -6.990 1.297 1.00 0.00 ATOM 349 CD1 PHE 43 117.219 -7.443 1.617 1.00 0.00 ATOM 350 CD2 PHE 43 119.021 -7.381 0.086 1.00 0.00 ATOM 351 CE1 PHE 43 116.533 -8.271 0.768 1.00 0.00 ATOM 352 CE2 PHE 43 118.346 -8.215 -0.771 1.00 0.00 ATOM 353 CZ PHE 43 117.098 -8.661 -0.429 1.00 0.00 ATOM 354 O PHE 43 120.861 -8.976 2.945 1.00 0.00 ATOM 355 C PHE 43 120.936 -7.785 2.618 1.00 0.00 ATOM 356 N TRP 44 121.788 -7.347 1.706 1.00 0.00 ATOM 357 CA TRP 44 122.613 -8.334 1.055 1.00 0.00 ATOM 358 CB TRP 44 122.943 -8.074 -0.416 1.00 0.00 ATOM 359 CG TRP 44 123.455 -6.727 -0.770 1.00 0.00 ATOM 360 CD1 TRP 44 122.815 -5.810 -1.543 1.00 0.00 ATOM 361 CD2 TRP 44 124.703 -6.145 -0.395 1.00 0.00 ATOM 362 CE2 TRP 44 124.750 -4.875 -0.977 1.00 0.00 ATOM 363 CE3 TRP 44 125.784 -6.570 0.385 1.00 0.00 ATOM 364 NE1 TRP 44 123.591 -4.705 -1.697 1.00 0.00 ATOM 365 CZ2 TRP 44 125.831 -4.032 -0.812 1.00 0.00 ATOM 366 CZ3 TRP 44 126.857 -5.727 0.548 1.00 0.00 ATOM 367 CH2 TRP 44 126.872 -4.471 -0.043 1.00 0.00 ATOM 368 O TRP 44 124.276 -9.907 1.677 1.00 0.00 ATOM 369 C TRP 44 123.776 -8.820 1.895 1.00 0.00 ATOM 370 N ILE 45 124.175 -8.035 2.887 1.00 0.00 ATOM 371 CA ILE 45 125.160 -8.495 3.863 1.00 0.00 ATOM 372 CB ILE 45 125.603 -7.338 4.822 1.00 0.00 ATOM 373 CG1 ILE 45 126.546 -6.360 4.094 1.00 0.00 ATOM 374 CG2 ILE 45 126.173 -7.803 6.159 1.00 0.00 ATOM 375 CD1 ILE 45 127.023 -5.186 4.930 1.00 0.00 ATOM 376 O ILE 45 125.296 -10.653 4.897 1.00 0.00 ATOM 377 C ILE 45 124.586 -9.694 4.624 1.00 0.00 ATOM 378 N ALA 46 123.281 -9.661 4.901 1.00 0.00 ATOM 379 CA ALA 46 122.600 -10.787 5.530 1.00 0.00 ATOM 380 CB ALA 46 121.150 -10.450 5.875 1.00 0.00 ATOM 381 O ALA 46 122.893 -13.105 5.000 1.00 0.00 ATOM 382 C ALA 46 122.621 -11.976 4.588 1.00 0.00 ATOM 383 N CYS 47 122.354 -11.702 3.323 1.00 0.00 ATOM 384 CA CYS 47 122.306 -12.720 2.285 1.00 0.00 ATOM 385 CB CYS 47 121.854 -12.092 0.969 1.00 0.00 ATOM 386 SG CYS 47 120.274 -11.220 1.084 1.00 0.00 ATOM 387 O CYS 47 123.747 -14.624 2.080 1.00 0.00 ATOM 388 C CYS 47 123.662 -13.402 2.113 1.00 0.00 ATOM 389 N GLU 48 124.718 -12.616 2.047 1.00 0.00 ATOM 390 CA GLU 48 126.047 -13.160 1.880 1.00 0.00 ATOM 391 CB GLU 48 127.013 -12.089 1.357 1.00 0.00 ATOM 392 CG GLU 48 126.572 -11.439 0.027 1.00 0.00 ATOM 393 CD GLU 48 126.469 -12.407 -1.154 1.00 0.00 ATOM 394 OE1 GLU 48 127.426 -12.468 -1.981 1.00 0.00 ATOM 395 OE2 GLU 48 125.444 -13.103 -1.301 1.00 0.00 ATOM 396 O GLU 48 127.387 -14.717 3.171 1.00 0.00 ATOM 397 C GLU 48 126.541 -13.819 3.192 1.00 0.00 ATOM 398 N ASP 49 125.986 -13.389 4.321 1.00 0.00 ATOM 399 CA ASP 49 126.263 -14.028 5.631 1.00 0.00 ATOM 400 CB ASP 49 125.649 -13.209 6.778 1.00 0.00 ATOM 401 CG ASP 49 125.730 -13.910 8.118 1.00 0.00 ATOM 402 OD1 ASP 49 124.753 -14.599 8.503 1.00 0.00 ATOM 403 OD2 ASP 49 126.773 -13.802 8.801 1.00 0.00 ATOM 404 O ASP 49 126.219 -16.372 6.185 1.00 0.00 ATOM 405 C ASP 49 125.662 -15.421 5.641 1.00 0.00 ATOM 406 N PHE 50 124.529 -15.508 5.029 1.00 0.00 ATOM 407 CA PHE 50 123.792 -16.728 4.861 1.00 0.00 ATOM 408 CB PHE 50 122.345 -16.325 4.513 1.00 0.00 ATOM 409 CG PHE 50 121.565 -17.209 3.620 1.00 0.00 ATOM 410 CD1 PHE 50 120.984 -16.672 2.494 1.00 0.00 ATOM 411 CD2 PHE 50 121.395 -18.544 3.884 1.00 0.00 ATOM 412 CE1 PHE 50 120.245 -17.447 1.652 1.00 0.00 ATOM 413 CE2 PHE 50 120.665 -19.319 3.039 1.00 0.00 ATOM 414 CZ PHE 50 120.088 -18.771 1.925 1.00 0.00 ATOM 415 O PHE 50 124.602 -18.839 4.009 1.00 0.00 ATOM 416 C PHE 50 124.500 -17.630 3.830 1.00 0.00 ATOM 417 N LYS 51 125.032 -16.997 2.810 1.00 0.00 ATOM 418 CA LYS 51 125.880 -17.621 1.780 1.00 0.00 ATOM 419 CB LYS 51 126.330 -16.498 0.849 1.00 0.00 ATOM 420 CG LYS 51 127.315 -16.829 -0.251 1.00 0.00 ATOM 421 CD LYS 51 127.848 -15.519 -0.792 1.00 0.00 ATOM 422 CE LYS 51 128.806 -15.670 -1.945 1.00 0.00 ATOM 423 NZ LYS 51 129.355 -14.350 -2.338 1.00 0.00 ATOM 424 O LYS 51 127.670 -19.257 1.889 1.00 0.00 ATOM 425 C LYS 51 127.114 -18.297 2.427 1.00 0.00 ATOM 426 N LYS 52 127.536 -17.770 3.574 1.00 0.00 ATOM 427 CA LYS 52 128.658 -18.329 4.339 1.00 0.00 ATOM 428 CB LYS 52 129.135 -17.336 5.410 1.00 0.00 ATOM 429 CG LYS 52 129.679 -16.026 4.861 1.00 0.00 ATOM 430 CD LYS 52 130.017 -15.030 5.976 1.00 0.00 ATOM 431 CE LYS 52 131.072 -15.571 6.929 1.00 0.00 ATOM 432 NZ LYS 52 131.414 -14.601 7.995 1.00 0.00 ATOM 433 O LYS 52 129.184 -20.388 5.472 1.00 0.00 ATOM 434 C LYS 52 128.298 -19.669 5.013 1.00 0.00 ATOM 435 N SER 53 127.024 -19.999 5.079 1.00 0.00 ATOM 436 CA SER 53 126.599 -21.233 5.712 1.00 0.00 ATOM 437 CB SER 53 125.151 -21.112 6.217 1.00 0.00 ATOM 438 OG SER 53 124.755 -22.275 6.936 1.00 0.00 ATOM 439 O SER 53 126.682 -22.154 3.509 1.00 0.00 ATOM 440 C SER 53 126.713 -22.375 4.712 1.00 0.00 ATOM 441 N LYS 54 126.872 -23.578 5.191 1.00 0.00 ATOM 442 CA LYS 54 126.967 -24.706 4.308 1.00 0.00 ATOM 443 CB LYS 54 128.406 -25.306 4.316 1.00 0.00 ATOM 444 CG LYS 54 128.937 -25.863 5.658 1.00 0.00 ATOM 445 CD LYS 54 128.334 -27.219 6.014 1.00 0.00 ATOM 446 CE LYS 54 128.946 -27.804 7.270 1.00 0.00 ATOM 447 NZ LYS 54 128.396 -29.143 7.559 1.00 0.00 ATOM 448 O LYS 54 125.771 -26.754 3.968 1.00 0.00 ATOM 449 C LYS 54 125.902 -25.730 4.643 1.00 0.00 ATOM 450 N GLY 55 125.119 -25.431 5.652 1.00 0.00 ATOM 451 CA GLY 55 124.133 -26.357 6.124 1.00 0.00 ATOM 452 O GLY 55 122.215 -25.065 5.743 1.00 0.00 ATOM 453 C GLY 55 122.816 -26.092 5.476 1.00 0.00 ATOM 454 N PRO 56 122.320 -27.009 4.629 1.00 0.00 ATOM 455 CA PRO 56 121.087 -26.799 3.867 1.00 0.00 ATOM 456 CB PRO 56 120.913 -28.085 3.058 1.00 0.00 ATOM 457 CG PRO 56 122.263 -28.716 3.047 1.00 0.00 ATOM 458 CD PRO 56 122.914 -28.325 4.339 1.00 0.00 ATOM 459 O PRO 56 118.995 -25.727 4.371 1.00 0.00 ATOM 460 C PRO 56 119.866 -26.512 4.751 1.00 0.00 ATOM 461 N GLN 57 119.819 -27.102 5.948 1.00 0.00 ATOM 462 CA GLN 57 118.715 -26.819 6.862 1.00 0.00 ATOM 463 CB GLN 57 118.651 -27.837 8.048 1.00 0.00 ATOM 464 CG GLN 57 119.857 -27.863 9.000 1.00 0.00 ATOM 465 CD GLN 57 119.829 -26.767 10.059 1.00 0.00 ATOM 466 OE1 GLN 57 118.770 -26.345 10.509 1.00 0.00 ATOM 467 NE2 GLN 57 120.969 -26.283 10.428 1.00 0.00 ATOM 468 O GLN 57 117.755 -24.683 7.386 1.00 0.00 ATOM 469 C GLN 57 118.771 -25.361 7.328 1.00 0.00 ATOM 470 N GLN 58 119.994 -24.869 7.546 1.00 0.00 ATOM 471 CA GLN 58 120.240 -23.506 8.004 1.00 0.00 ATOM 472 CB GLN 58 121.707 -23.351 8.440 1.00 0.00 ATOM 473 CG GLN 58 122.105 -21.967 8.956 1.00 0.00 ATOM 474 CD GLN 58 121.377 -21.557 10.221 1.00 0.00 ATOM 475 OE1 GLN 58 120.321 -20.928 10.175 1.00 0.00 ATOM 476 NE2 GLN 58 121.919 -21.923 11.347 1.00 0.00 ATOM 477 O GLN 58 119.512 -21.401 7.129 1.00 0.00 ATOM 478 C GLN 58 119.910 -22.541 6.885 1.00 0.00 ATOM 479 N ILE 59 120.061 -23.023 5.656 1.00 0.00 ATOM 480 CA ILE 59 119.723 -22.262 4.469 1.00 0.00 ATOM 481 CB ILE 59 119.992 -23.063 3.160 1.00 0.00 ATOM 482 CG1 ILE 59 121.455 -23.545 3.078 1.00 0.00 ATOM 483 CG2 ILE 59 119.591 -22.273 1.921 1.00 0.00 ATOM 484 CD1 ILE 59 122.509 -22.484 3.267 1.00 0.00 ATOM 485 O ILE 59 117.891 -20.749 4.314 1.00 0.00 ATOM 486 C ILE 59 118.251 -21.891 4.520 1.00 0.00 ATOM 487 N HIS 60 117.413 -22.875 4.845 1.00 0.00 ATOM 488 CA HIS 60 115.960 -22.662 4.965 1.00 0.00 ATOM 489 CB HIS 60 115.219 -23.951 5.365 1.00 0.00 ATOM 490 CG HIS 60 115.106 -24.963 4.285 1.00 0.00 ATOM 491 CD2 HIS 60 116.041 -25.688 3.670 1.00 0.00 ATOM 492 ND1 HIS 60 113.915 -25.315 3.711 1.00 0.00 ATOM 493 CE1 HIS 60 114.124 -26.211 2.778 1.00 0.00 ATOM 494 NE2 HIS 60 115.414 -26.456 2.727 1.00 0.00 ATOM 495 O HIS 60 114.903 -20.667 5.723 1.00 0.00 ATOM 496 C HIS 60 115.664 -21.599 5.981 1.00 0.00 ATOM 497 N LEU 61 116.320 -21.724 7.103 1.00 0.00 ATOM 498 CA LEU 61 116.121 -20.857 8.232 1.00 0.00 ATOM 499 CB LEU 61 116.969 -21.333 9.380 1.00 0.00 ATOM 500 CG LEU 61 117.006 -22.823 9.625 1.00 0.00 ATOM 501 CD1 LEU 61 117.930 -23.117 10.755 1.00 0.00 ATOM 502 CD2 LEU 61 115.623 -23.395 9.866 1.00 0.00 ATOM 503 O LEU 61 115.709 -18.530 7.887 1.00 0.00 ATOM 504 C LEU 61 116.535 -19.444 7.886 1.00 0.00 ATOM 505 N LYS 62 117.814 -19.272 7.590 1.00 0.00 ATOM 506 CA LYS 62 118.347 -17.958 7.230 1.00 0.00 ATOM 507 CB LYS 62 119.872 -17.929 7.080 1.00 0.00 ATOM 508 CG LYS 62 120.630 -17.968 8.397 1.00 0.00 ATOM 509 CD LYS 62 122.112 -17.677 8.192 1.00 0.00 ATOM 510 CE LYS 62 122.830 -17.517 9.522 1.00 0.00 ATOM 511 NZ LYS 62 124.248 -17.124 9.359 1.00 0.00 ATOM 512 O LYS 62 117.405 -16.105 6.050 1.00 0.00 ATOM 513 C LYS 62 117.662 -17.314 6.022 1.00 0.00 ATOM 514 N ALA 63 117.346 -18.095 4.986 1.00 0.00 ATOM 515 CA ALA 63 116.661 -17.542 3.815 1.00 0.00 ATOM 516 CB ALA 63 116.525 -18.554 2.672 1.00 0.00 ATOM 517 O ALA 63 114.994 -15.860 3.981 1.00 0.00 ATOM 518 C ALA 63 115.300 -17.013 4.209 1.00 0.00 ATOM 519 N LYS 64 114.509 -17.835 4.859 1.00 0.00 ATOM 520 CA LYS 64 113.172 -17.434 5.279 1.00 0.00 ATOM 521 CB LYS 64 112.378 -18.623 5.742 1.00 0.00 ATOM 522 CG LYS 64 111.863 -19.466 4.591 1.00 0.00 ATOM 523 CD LYS 64 111.248 -20.756 5.066 1.00 0.00 ATOM 524 CE LYS 64 110.452 -21.432 3.961 1.00 0.00 ATOM 525 NZ LYS 64 109.194 -20.716 3.688 1.00 0.00 ATOM 526 O LYS 64 112.246 -15.522 6.399 1.00 0.00 ATOM 527 C LYS 64 113.186 -16.319 6.317 1.00 0.00 ATOM 528 N ALA 65 114.239 -16.256 7.093 1.00 0.00 ATOM 529 CA ALA 65 114.417 -15.174 8.048 1.00 0.00 ATOM 530 CB ALA 65 115.620 -15.433 8.938 1.00 0.00 ATOM 531 O ALA 65 113.855 -12.872 7.587 1.00 0.00 ATOM 532 C ALA 65 114.570 -13.842 7.307 1.00 0.00 ATOM 533 N ILE 66 115.464 -13.822 6.336 1.00 0.00 ATOM 534 CA ILE 66 115.725 -12.631 5.525 1.00 0.00 ATOM 535 CB ILE 66 117.000 -12.842 4.660 1.00 0.00 ATOM 536 CG1 ILE 66 118.210 -13.039 5.573 1.00 0.00 ATOM 537 CG2 ILE 66 117.237 -11.678 3.697 1.00 0.00 ATOM 538 CD1 ILE 66 119.484 -13.380 4.845 1.00 0.00 ATOM 539 O ILE 66 114.131 -11.176 4.451 1.00 0.00 ATOM 540 C ILE 66 114.508 -12.326 4.649 1.00 0.00 ATOM 541 N TYR 67 113.891 -13.375 4.172 1.00 0.00 ATOM 542 CA TYR 67 112.683 -13.310 3.384 1.00 0.00 ATOM 543 CB TYR 67 112.244 -14.736 3.075 1.00 0.00 ATOM 544 CG TYR 67 110.971 -14.865 2.316 1.00 0.00 ATOM 545 CD1 TYR 67 109.853 -15.397 2.914 1.00 0.00 ATOM 546 CD2 TYR 67 110.889 -14.467 1.006 1.00 0.00 ATOM 547 CE1 TYR 67 108.682 -15.534 2.227 1.00 0.00 ATOM 548 CE2 TYR 67 109.724 -14.587 0.299 1.00 0.00 ATOM 549 CZ TYR 67 108.607 -15.132 0.925 1.00 0.00 ATOM 550 OH TYR 67 107.428 -15.283 0.246 1.00 0.00 ATOM 551 O TYR 67 111.161 -11.481 3.687 1.00 0.00 ATOM 552 C TYR 67 111.582 -12.547 4.128 1.00 0.00 ATOM 553 N GLU 68 111.186 -13.053 5.289 1.00 0.00 ATOM 554 CA GLU 68 110.087 -12.466 6.050 1.00 0.00 ATOM 555 CB GLU 68 109.580 -13.418 7.132 1.00 0.00 ATOM 556 CG GLU 68 109.018 -14.721 6.578 1.00 0.00 ATOM 557 CD GLU 68 108.380 -15.589 7.635 1.00 0.00 ATOM 558 OE1 GLU 68 109.076 -16.418 8.259 1.00 0.00 ATOM 559 OE2 GLU 68 107.163 -15.485 7.844 1.00 0.00 ATOM 560 O GLU 68 109.519 -10.323 6.953 1.00 0.00 ATOM 561 C GLU 68 110.417 -11.093 6.636 1.00 0.00 ATOM 562 N LYS 69 111.682 -10.793 6.765 1.00 0.00 ATOM 563 CA LYS 69 112.106 -9.514 7.310 1.00 0.00 ATOM 564 CB LYS 69 113.425 -9.697 8.075 1.00 0.00 ATOM 565 CG LYS 69 114.003 -8.426 8.677 1.00 0.00 ATOM 566 CD LYS 69 115.307 -8.707 9.388 1.00 0.00 ATOM 567 CE LYS 69 115.896 -7.448 9.991 1.00 0.00 ATOM 568 NZ LYS 69 117.195 -7.710 10.621 1.00 0.00 ATOM 569 O LYS 69 112.082 -7.244 6.466 1.00 0.00 ATOM 570 C LYS 69 112.282 -8.446 6.217 1.00 0.00 ATOM 571 N PHE 70 112.573 -8.872 5.013 1.00 0.00 ATOM 572 CA PHE 70 112.990 -7.947 3.982 1.00 0.00 ATOM 573 CB PHE 70 114.483 -8.118 3.683 1.00 0.00 ATOM 574 CG PHE 70 115.438 -7.675 4.752 1.00 0.00 ATOM 575 CD1 PHE 70 116.257 -8.589 5.387 1.00 0.00 ATOM 576 CD2 PHE 70 115.540 -6.338 5.095 1.00 0.00 ATOM 577 CE1 PHE 70 117.160 -8.180 6.344 1.00 0.00 ATOM 578 CE2 PHE 70 116.435 -5.925 6.056 1.00 0.00 ATOM 579 CZ PHE 70 117.249 -6.844 6.679 1.00 0.00 ATOM 580 O PHE 70 111.616 -7.193 2.190 1.00 0.00 ATOM 581 C PHE 70 112.220 -8.128 2.695 1.00 0.00 ATOM 582 N ILE 71 112.259 -9.335 2.169 1.00 0.00 ATOM 583 CA ILE 71 111.640 -9.673 0.877 1.00 0.00 ATOM 584 CB ILE 71 111.965 -11.154 0.499 1.00 0.00 ATOM 585 CG1 ILE 71 113.476 -11.355 0.451 1.00 0.00 ATOM 586 CG2 ILE 71 111.331 -11.598 -0.829 1.00 0.00 ATOM 587 CD1 ILE 71 114.183 -10.443 -0.528 1.00 0.00 ATOM 588 O ILE 71 109.462 -9.206 -0.068 1.00 0.00 ATOM 589 C ILE 71 110.128 -9.464 0.945 1.00 0.00 ATOM 590 N GLN 72 109.610 -9.562 2.144 1.00 0.00 ATOM 591 CA GLN 72 108.210 -9.356 2.382 1.00 0.00 ATOM 592 CB GLN 72 107.818 -9.853 3.748 1.00 0.00 ATOM 593 CG GLN 72 107.788 -11.322 3.843 1.00 0.00 ATOM 594 CD GLN 72 106.513 -11.939 3.342 1.00 0.00 ATOM 595 OE1 GLN 72 105.443 -11.354 3.426 1.00 0.00 ATOM 596 NE2 GLN 72 106.615 -13.113 2.816 1.00 0.00 ATOM 597 O GLN 72 108.625 -7.018 2.567 1.00 0.00 ATOM 598 C GLN 72 107.838 -7.919 2.278 1.00 0.00 ATOM 599 N THR 73 106.653 -7.731 1.885 1.00 0.00 ATOM 600 CA THR 73 106.050 -6.440 1.843 1.00 0.00 ATOM 601 CB THR 73 104.875 -6.464 0.870 1.00 0.00 ATOM 602 CG2 THR 73 104.352 -5.073 0.650 1.00 0.00 ATOM 603 OG1 THR 73 105.307 -7.018 -0.377 1.00 0.00 ATOM 604 O THR 73 105.791 -5.163 3.889 1.00 0.00 ATOM 605 C THR 73 105.539 -6.198 3.249 1.00 0.00 ATOM 606 N ASP 74 104.851 -7.199 3.738 1.00 0.00 ATOM 607 CA ASP 74 104.418 -7.245 5.105 1.00 0.00 ATOM 608 CB ASP 74 103.198 -8.158 5.260 1.00 0.00 ATOM 609 CG ASP 74 102.659 -8.188 6.668 1.00 0.00 ATOM 610 OD1 ASP 74 102.976 -9.122 7.438 1.00 0.00 ATOM 611 OD2 ASP 74 101.873 -7.288 7.026 1.00 0.00 ATOM 612 O ASP 74 105.711 -8.957 6.181 1.00 0.00 ATOM 613 C ASP 74 105.587 -7.766 5.923 1.00 0.00 ATOM 614 N ALA 75 106.499 -6.881 6.206 1.00 0.00 ATOM 615 CA ALA 75 107.714 -7.205 6.892 1.00 0.00 ATOM 616 CB ALA 75 108.852 -7.336 5.881 1.00 0.00 ATOM 617 O ALA 75 107.552 -4.990 7.720 1.00 0.00 ATOM 618 C ALA 75 108.039 -6.108 7.871 1.00 0.00 ATOM 619 N PRO 76 108.874 -6.397 8.887 1.00 0.00 ATOM 620 CA PRO 76 109.294 -5.396 9.876 1.00 0.00 ATOM 621 CB PRO 76 110.081 -6.218 10.903 1.00 0.00 ATOM 622 CG PRO 76 110.535 -7.421 10.158 1.00 0.00 ATOM 623 CD PRO 76 109.448 -7.729 9.181 1.00 0.00 ATOM 624 O PRO 76 110.376 -3.246 9.798 1.00 0.00 ATOM 625 C PRO 76 110.200 -4.335 9.251 1.00 0.00 ATOM 626 N LYS 77 110.787 -4.673 8.117 1.00 0.00 ATOM 627 CA LYS 77 111.652 -3.766 7.403 1.00 0.00 ATOM 628 CB LYS 77 113.078 -4.318 7.299 1.00 0.00 ATOM 629 CG LYS 77 113.852 -4.273 8.602 1.00 0.00 ATOM 630 CD LYS 77 114.080 -2.834 9.023 1.00 0.00 ATOM 631 CE LYS 77 114.866 -2.738 10.307 1.00 0.00 ATOM 632 NZ LYS 77 115.187 -1.337 10.637 1.00 0.00 ATOM 633 O LYS 77 110.795 -2.289 5.746 1.00 0.00 ATOM 634 C LYS 77 111.096 -3.456 6.036 1.00 0.00 ATOM 635 N GLU 78 110.946 -4.509 5.216 1.00 0.00 ATOM 636 CA GLU 78 110.436 -4.413 3.834 1.00 0.00 ATOM 637 CB GLU 78 109.074 -3.708 3.763 1.00 0.00 ATOM 638 CG GLU 78 108.581 -3.473 2.346 1.00 0.00 ATOM 639 CD GLU 78 107.380 -2.587 2.292 1.00 0.00 ATOM 640 OE1 GLU 78 106.491 -2.826 1.480 1.00 0.00 ATOM 641 OE2 GLU 78 107.320 -1.599 3.073 1.00 0.00 ATOM 642 O GLU 78 111.893 -2.586 3.151 1.00 0.00 ATOM 643 C GLU 78 111.446 -3.713 2.899 1.00 0.00 ATOM 644 N VAL 79 111.781 -4.370 1.826 1.00 0.00 ATOM 645 CA VAL 79 112.732 -3.833 0.862 1.00 0.00 ATOM 646 CB VAL 79 113.671 -4.965 0.319 1.00 0.00 ATOM 647 CG1 VAL 79 114.748 -4.440 -0.608 1.00 0.00 ATOM 648 CG2 VAL 79 114.313 -5.697 1.442 1.00 0.00 ATOM 649 O VAL 79 110.835 -3.629 -0.593 1.00 0.00 ATOM 650 C VAL 79 111.963 -3.218 -0.300 1.00 0.00 ATOM 651 N ASN 80 112.559 -2.245 -0.959 1.00 0.00 ATOM 652 CA ASN 80 111.988 -1.607 -2.162 1.00 0.00 ATOM 653 CB ASN 80 112.517 -0.166 -2.295 1.00 0.00 ATOM 654 CG ASN 80 112.271 0.720 -1.070 1.00 0.00 ATOM 655 ND2 ASN 80 111.194 0.505 -0.356 1.00 0.00 ATOM 656 OD1 ASN 80 113.060 1.618 -0.784 1.00 0.00 ATOM 657 O ASN 80 112.678 -1.902 -4.478 1.00 0.00 ATOM 658 C ASN 80 112.431 -2.427 -3.386 1.00 0.00 ATOM 659 N LEU 81 112.472 -3.718 -3.180 1.00 0.00 ATOM 660 CA LEU 81 112.964 -4.688 -4.118 1.00 0.00 ATOM 661 CB LEU 81 113.139 -6.027 -3.389 1.00 0.00 ATOM 662 CG LEU 81 113.620 -7.218 -4.194 1.00 0.00 ATOM 663 CD1 LEU 81 115.068 -7.051 -4.532 1.00 0.00 ATOM 664 CD2 LEU 81 113.382 -8.511 -3.438 1.00 0.00 ATOM 665 O LEU 81 110.812 -4.780 -5.171 1.00 0.00 ATOM 666 C LEU 81 112.037 -4.859 -5.303 1.00 0.00 ATOM 667 N ASP 82 112.660 -5.049 -6.447 1.00 0.00 ATOM 668 CA ASP 82 112.007 -5.358 -7.709 1.00 0.00 ATOM 669 CB ASP 82 113.068 -5.746 -8.738 1.00 0.00 ATOM 670 CG ASP 82 112.486 -6.291 -10.012 1.00 0.00 ATOM 671 OD1 ASP 82 112.510 -7.530 -10.196 1.00 0.00 ATOM 672 OD2 ASP 82 111.984 -5.498 -10.836 1.00 0.00 ATOM 673 O ASP 82 111.317 -7.583 -7.054 1.00 0.00 ATOM 674 C ASP 82 110.989 -6.484 -7.555 1.00 0.00 ATOM 675 N PHE 83 109.772 -6.196 -7.976 1.00 0.00 ATOM 676 CA PHE 83 108.647 -7.099 -7.882 1.00 0.00 ATOM 677 CB PHE 83 107.369 -6.439 -8.423 1.00 0.00 ATOM 678 CG PHE 83 106.141 -7.294 -8.277 1.00 0.00 ATOM 679 CD1 PHE 83 105.518 -7.419 -7.049 1.00 0.00 ATOM 680 CD2 PHE 83 105.613 -7.973 -9.367 1.00 0.00 ATOM 681 CE1 PHE 83 104.396 -8.205 -6.904 1.00 0.00 ATOM 682 CE2 PHE 83 104.490 -8.759 -9.227 1.00 0.00 ATOM 683 CZ PHE 83 103.881 -8.876 -7.995 1.00 0.00 ATOM 684 O PHE 83 108.545 -9.476 -8.018 1.00 0.00 ATOM 685 C PHE 83 108.901 -8.440 -8.563 1.00 0.00 ATOM 686 N HIS 84 109.533 -8.439 -9.726 1.00 0.00 ATOM 687 CA HIS 84 109.786 -9.706 -10.409 1.00 0.00 ATOM 688 CB HIS 84 110.224 -9.517 -11.878 1.00 0.00 ATOM 689 CG HIS 84 110.510 -10.819 -12.595 1.00 0.00 ATOM 690 CD2 HIS 84 111.683 -11.417 -12.912 1.00 0.00 ATOM 691 ND1 HIS 84 109.529 -11.689 -13.002 1.00 0.00 ATOM 692 CE1 HIS 84 110.082 -12.760 -13.523 1.00 0.00 ATOM 693 NE2 HIS 84 111.385 -12.616 -13.483 1.00 0.00 ATOM 694 O HIS 84 110.637 -11.771 -9.530 1.00 0.00 ATOM 695 C HIS 84 110.786 -10.555 -9.622 1.00 0.00 ATOM 696 N THR 85 111.772 -9.909 -9.049 1.00 0.00 ATOM 697 CA THR 85 112.755 -10.587 -8.235 1.00 0.00 ATOM 698 CB THR 85 113.864 -9.617 -7.784 1.00 0.00 ATOM 699 CG2 THR 85 114.962 -10.358 -7.012 1.00 0.00 ATOM 700 OG1 THR 85 114.431 -8.986 -8.942 1.00 0.00 ATOM 701 O THR 85 112.199 -12.431 -6.790 1.00 0.00 ATOM 702 C THR 85 112.088 -11.219 -7.009 1.00 0.00 ATOM 703 N LYS 86 111.346 -10.407 -6.248 1.00 0.00 ATOM 704 CA LYS 86 110.678 -10.887 -5.041 1.00 0.00 ATOM 705 CB LYS 86 110.051 -9.737 -4.238 1.00 0.00 ATOM 706 CG LYS 86 108.958 -8.981 -4.961 1.00 0.00 ATOM 707 CD LYS 86 108.446 -7.804 -4.164 1.00 0.00 ATOM 708 CE LYS 86 107.772 -8.227 -2.870 1.00 0.00 ATOM 709 NZ LYS 86 107.273 -7.054 -2.145 1.00 0.00 ATOM 710 O LYS 86 109.448 -12.877 -4.594 1.00 0.00 ATOM 711 C LYS 86 109.649 -11.959 -5.372 1.00 0.00 ATOM 712 N GLU 87 109.029 -11.847 -6.544 1.00 0.00 ATOM 713 CA GLU 87 108.091 -12.848 -7.026 1.00 0.00 ATOM 714 CB GLU 87 107.549 -12.479 -8.408 1.00 0.00 ATOM 715 CG GLU 87 106.643 -13.538 -9.006 1.00 0.00 ATOM 716 CD GLU 87 106.123 -13.164 -10.357 1.00 0.00 ATOM 717 OE1 GLU 87 106.812 -13.433 -11.370 1.00 0.00 ATOM 718 OE2 GLU 87 105.006 -12.608 -10.439 1.00 0.00 ATOM 719 O GLU 87 108.301 -15.172 -6.480 1.00 0.00 ATOM 720 C GLU 87 108.769 -14.206 -7.085 1.00 0.00 ATOM 721 N VAL 88 109.897 -14.273 -7.754 1.00 0.00 ATOM 722 CA VAL 88 110.609 -15.526 -7.885 1.00 0.00 ATOM 723 CB VAL 88 111.800 -15.425 -8.869 1.00 0.00 ATOM 724 CG1 VAL 88 112.420 -16.791 -9.082 1.00 0.00 ATOM 725 CG2 VAL 88 111.345 -14.837 -10.203 1.00 0.00 ATOM 726 O VAL 88 111.016 -17.225 -6.214 1.00 0.00 ATOM 727 C VAL 88 111.073 -16.025 -6.503 1.00 0.00 ATOM 728 N ILE 89 111.455 -15.088 -5.636 1.00 0.00 ATOM 729 CA ILE 89 111.851 -15.425 -4.271 1.00 0.00 ATOM 730 CB ILE 89 112.360 -14.190 -3.471 1.00 0.00 ATOM 731 CG1 ILE 89 113.532 -13.521 -4.196 1.00 0.00 ATOM 732 CG2 ILE 89 112.777 -14.596 -2.049 1.00 0.00 ATOM 733 CD1 ILE 89 114.046 -12.277 -3.502 1.00 0.00 ATOM 734 O ILE 89 110.796 -17.125 -2.976 1.00 0.00 ATOM 735 C ILE 89 110.668 -16.052 -3.522 1.00 0.00 ATOM 736 N THR 90 109.508 -15.396 -3.561 1.00 0.00 ATOM 737 CA THR 90 108.312 -15.884 -2.857 1.00 0.00 ATOM 738 CB THR 90 107.101 -14.898 -2.987 1.00 0.00 ATOM 739 CG2 THR 90 107.398 -13.549 -2.342 1.00 0.00 ATOM 740 OG1 THR 90 106.757 -14.683 -4.365 1.00 0.00 ATOM 741 O THR 90 107.376 -18.104 -2.543 1.00 0.00 ATOM 742 C THR 90 107.899 -17.304 -3.322 1.00 0.00 ATOM 743 N ASN 91 108.187 -17.623 -4.579 1.00 0.00 ATOM 744 CA ASN 91 107.834 -18.931 -5.134 1.00 0.00 ATOM 745 CB ASN 91 107.566 -18.866 -6.646 1.00 0.00 ATOM 746 CG ASN 91 106.286 -18.151 -7.013 1.00 0.00 ATOM 747 ND2 ASN 91 106.372 -16.881 -7.266 1.00 0.00 ATOM 748 OD1 ASN 91 105.220 -18.760 -7.081 1.00 0.00 ATOM 749 O ASN 91 108.605 -21.170 -4.858 1.00 0.00 ATOM 750 C ASN 91 108.897 -19.981 -4.870 1.00 0.00 ATOM 751 N SER 92 110.115 -19.562 -4.651 1.00 0.00 ATOM 752 CA SER 92 111.188 -20.512 -4.506 1.00 0.00 ATOM 753 CB SER 92 112.214 -20.313 -5.640 1.00 0.00 ATOM 754 OG SER 92 113.236 -21.315 -5.622 1.00 0.00 ATOM 755 O SER 92 112.882 -21.046 -2.905 1.00 0.00 ATOM 756 C SER 92 111.853 -20.428 -3.129 1.00 0.00 ATOM 757 N ILE 93 111.247 -19.716 -2.202 1.00 0.00 ATOM 758 CA ILE 93 111.815 -19.588 -0.855 1.00 0.00 ATOM 759 CB ILE 93 111.219 -18.371 -0.075 1.00 0.00 ATOM 760 CG1 ILE 93 111.960 -18.139 1.254 1.00 0.00 ATOM 761 CG2 ILE 93 109.731 -18.549 0.161 1.00 0.00 ATOM 762 CD1 ILE 93 113.412 -17.703 1.096 1.00 0.00 ATOM 763 O ILE 93 112.253 -21.216 0.879 1.00 0.00 ATOM 764 C ILE 93 111.577 -20.897 -0.095 1.00 0.00 ATOM 765 N THR 94 110.586 -21.639 -0.564 1.00 0.00 ATOM 766 CA THR 94 110.312 -22.970 -0.087 1.00 0.00 ATOM 767 CB THR 94 109.009 -23.535 -0.750 1.00 0.00 ATOM 768 CG2 THR 94 109.103 -23.522 -2.275 1.00 0.00 ATOM 769 OG1 THR 94 108.728 -24.866 -0.289 1.00 0.00 ATOM 770 O THR 94 111.807 -24.817 0.390 1.00 0.00 ATOM 771 C THR 94 111.523 -23.893 -0.373 1.00 0.00 ATOM 772 N GLN 95 112.274 -23.576 -1.431 1.00 0.00 ATOM 773 CA GLN 95 113.441 -24.335 -1.835 1.00 0.00 ATOM 774 CB GLN 95 113.225 -24.979 -3.208 1.00 0.00 ATOM 775 CG GLN 95 112.058 -25.939 -3.304 1.00 0.00 ATOM 776 CD GLN 95 111.906 -26.494 -4.702 1.00 0.00 ATOM 777 OE1 GLN 95 112.244 -25.834 -5.687 1.00 0.00 ATOM 778 NE2 GLN 95 111.464 -27.709 -4.813 1.00 0.00 ATOM 779 O GLN 95 115.108 -23.026 -3.019 1.00 0.00 ATOM 780 C GLN 95 114.651 -23.391 -1.912 1.00 0.00 ATOM 781 N PRO 96 115.151 -22.928 -0.767 1.00 0.00 ATOM 782 CA PRO 96 116.231 -21.976 -0.730 1.00 0.00 ATOM 783 CB PRO 96 116.231 -21.487 0.710 1.00 0.00 ATOM 784 CG PRO 96 115.704 -22.631 1.479 1.00 0.00 ATOM 785 CD PRO 96 114.701 -23.288 0.586 1.00 0.00 ATOM 786 O PRO 96 117.861 -23.774 -0.884 1.00 0.00 ATOM 787 C PRO 96 117.583 -22.573 -1.099 1.00 0.00 ATOM 788 N THR 97 118.383 -21.726 -1.627 1.00 0.00 ATOM 789 CA THR 97 119.715 -21.982 -2.053 1.00 0.00 ATOM 790 CB THR 97 119.838 -21.729 -3.567 1.00 0.00 ATOM 791 CG2 THR 97 119.263 -22.892 -4.332 1.00 0.00 ATOM 792 OG1 THR 97 119.137 -20.498 -3.929 1.00 0.00 ATOM 793 O THR 97 120.098 -20.145 -0.643 1.00 0.00 ATOM 794 C THR 97 120.607 -21.062 -1.286 1.00 0.00 ATOM 795 N LEU 98 121.905 -21.280 -1.392 1.00 0.00 ATOM 796 CA LEU 98 122.946 -20.578 -0.613 1.00 0.00 ATOM 797 CB LEU 98 124.310 -20.914 -1.192 1.00 0.00 ATOM 798 CG LEU 98 125.428 -21.014 -0.185 1.00 0.00 ATOM 799 CD1 LEU 98 125.099 -22.123 0.796 1.00 0.00 ATOM 800 CD2 LEU 98 126.740 -21.299 -0.887 1.00 0.00 ATOM 801 O LEU 98 123.039 -18.410 0.420 1.00 0.00 ATOM 802 C LEU 98 122.732 -19.056 -0.566 1.00 0.00 ATOM 803 N HIS 99 122.249 -18.503 -1.647 1.00 0.00 ATOM 804 CA HIS 99 121.785 -17.146 -1.671 1.00 0.00 ATOM 805 CB HIS 99 122.890 -16.029 -1.692 1.00 0.00 ATOM 806 CG HIS 99 123.857 -16.000 -2.847 1.00 0.00 ATOM 807 CD2 HIS 99 124.031 -16.822 -3.908 1.00 0.00 ATOM 808 ND1 HIS 99 124.799 -15.007 -2.989 1.00 0.00 ATOM 809 CE1 HIS 99 125.495 -15.213 -4.077 1.00 0.00 ATOM 810 NE2 HIS 99 125.052 -16.303 -4.650 1.00 0.00 ATOM 811 O HIS 99 120.910 -16.558 -3.773 1.00 0.00 ATOM 812 C HIS 99 120.695 -16.970 -2.669 1.00 0.00 ATOM 813 N SER 100 119.494 -17.358 -2.251 1.00 0.00 ATOM 814 CA SER 100 118.265 -17.230 -3.043 1.00 0.00 ATOM 815 CB SER 100 117.129 -17.920 -2.296 1.00 0.00 ATOM 816 OG SER 100 117.456 -19.267 -2.133 1.00 0.00 ATOM 817 O SER 100 117.058 -15.451 -4.123 1.00 0.00 ATOM 818 C SER 100 117.926 -15.769 -3.317 1.00 0.00 ATOM 819 N PHE 101 118.634 -14.901 -2.652 1.00 0.00 ATOM 820 CA PHE 101 118.470 -13.494 -2.808 1.00 0.00 ATOM 821 CB PHE 101 118.606 -12.812 -1.452 1.00 0.00 ATOM 822 CG PHE 101 117.849 -13.496 -0.357 1.00 0.00 ATOM 823 CD1 PHE 101 118.502 -14.376 0.489 1.00 0.00 ATOM 824 CD2 PHE 101 116.498 -13.282 -0.175 1.00 0.00 ATOM 825 CE1 PHE 101 117.827 -15.021 1.486 1.00 0.00 ATOM 826 CE2 PHE 101 115.820 -13.933 0.833 1.00 0.00 ATOM 827 CZ PHE 101 116.488 -14.796 1.655 1.00 0.00 ATOM 828 O PHE 101 119.741 -11.789 -3.852 1.00 0.00 ATOM 829 C PHE 101 119.553 -12.974 -3.744 1.00 0.00 ATOM 830 N ASP 102 120.281 -13.894 -4.395 1.00 0.00 ATOM 831 CA ASP 102 121.355 -13.534 -5.371 1.00 0.00 ATOM 832 CB ASP 102 121.930 -14.776 -6.111 1.00 0.00 ATOM 833 CG ASP 102 120.951 -15.476 -7.042 1.00 0.00 ATOM 834 OD1 ASP 102 120.062 -16.226 -6.559 1.00 0.00 ATOM 835 OD2 ASP 102 121.058 -15.301 -8.269 1.00 0.00 ATOM 836 O ASP 102 121.675 -11.491 -6.609 1.00 0.00 ATOM 837 C ASP 102 120.928 -12.447 -6.385 1.00 0.00 ATOM 838 N ALA 103 119.728 -12.558 -6.956 1.00 0.00 ATOM 839 CA ALA 103 119.250 -11.548 -7.907 1.00 0.00 ATOM 840 CB ALA 103 118.047 -12.057 -8.695 1.00 0.00 ATOM 841 O ALA 103 119.098 -9.155 -7.663 1.00 0.00 ATOM 842 C ALA 103 118.880 -10.268 -7.177 1.00 0.00 ATOM 843 N ALA 104 118.371 -10.439 -5.980 1.00 0.00 ATOM 844 CA ALA 104 117.912 -9.342 -5.158 1.00 0.00 ATOM 845 CB ALA 104 117.007 -9.868 -4.062 1.00 0.00 ATOM 846 O ALA 104 118.961 -7.340 -4.350 1.00 0.00 ATOM 847 C ALA 104 119.085 -8.538 -4.606 1.00 0.00 ATOM 848 N GLN 105 120.222 -9.198 -4.473 1.00 0.00 ATOM 849 CA GLN 105 121.469 -8.585 -4.050 1.00 0.00 ATOM 850 CB GLN 105 122.564 -9.690 -3.958 1.00 0.00 ATOM 851 CG GLN 105 123.953 -9.280 -3.427 1.00 0.00 ATOM 852 CD GLN 105 124.911 -8.717 -4.467 1.00 0.00 ATOM 853 OE1 GLN 105 125.650 -9.467 -5.092 1.00 0.00 ATOM 854 NE2 GLN 105 124.948 -7.421 -4.627 1.00 0.00 ATOM 855 O GLN 105 122.184 -6.369 -4.654 1.00 0.00 ATOM 856 C GLN 105 121.828 -7.486 -5.042 1.00 0.00 ATOM 857 N SER 106 121.669 -7.791 -6.310 1.00 0.00 ATOM 858 CA SER 106 121.937 -6.855 -7.368 1.00 0.00 ATOM 859 CB SER 106 121.973 -7.606 -8.685 1.00 0.00 ATOM 860 OG SER 106 122.886 -8.694 -8.609 1.00 0.00 ATOM 861 O SER 106 121.183 -4.577 -7.638 1.00 0.00 ATOM 862 C SER 106 120.867 -5.745 -7.399 1.00 0.00 ATOM 863 N ARG 107 119.616 -6.113 -7.101 1.00 0.00 ATOM 864 CA ARG 107 118.505 -5.159 -7.093 1.00 0.00 ATOM 865 CB ARG 107 117.179 -5.854 -6.824 1.00 0.00 ATOM 866 CG ARG 107 116.798 -6.931 -7.816 1.00 0.00 ATOM 867 CD ARG 107 116.677 -6.393 -9.225 1.00 0.00 ATOM 868 NE ARG 107 116.341 -7.454 -10.174 1.00 0.00 ATOM 869 CZ ARG 107 116.525 -7.398 -11.494 1.00 0.00 ATOM 870 NH1 ARG 107 116.828 -6.251 -12.082 1.00 0.00 ATOM 871 NH2 ARG 107 116.326 -8.467 -12.228 1.00 0.00 ATOM 872 O ARG 107 118.625 -2.902 -6.320 1.00 0.00 ATOM 873 C ARG 107 118.725 -4.091 -6.043 1.00 0.00 ATOM 874 N VAL 108 119.068 -4.517 -4.852 1.00 0.00 ATOM 875 CA VAL 108 119.289 -3.595 -3.751 1.00 0.00 ATOM 876 CB VAL 108 119.303 -4.338 -2.402 1.00 0.00 ATOM 877 CG1 VAL 108 119.532 -3.379 -1.258 1.00 0.00 ATOM 878 CG2 VAL 108 117.980 -5.051 -2.215 1.00 0.00 ATOM 879 O VAL 108 120.658 -1.612 -3.600 1.00 0.00 ATOM 880 C VAL 108 120.570 -2.785 -3.975 1.00 0.00 ATOM 881 N TYR 109 121.537 -3.410 -4.613 1.00 0.00 ATOM 882 CA TYR 109 122.759 -2.741 -5.022 1.00 0.00 ATOM 883 CB TYR 109 123.699 -3.774 -5.689 1.00 0.00 ATOM 884 CG TYR 109 124.850 -3.234 -6.533 1.00 0.00 ATOM 885 CD1 TYR 109 126.113 -3.064 -5.999 1.00 0.00 ATOM 886 CD2 TYR 109 124.665 -2.918 -7.878 1.00 0.00 ATOM 887 CE1 TYR 109 127.161 -2.597 -6.772 1.00 0.00 ATOM 888 CE2 TYR 109 125.701 -2.447 -8.651 1.00 0.00 ATOM 889 CZ TYR 109 126.945 -2.289 -8.096 1.00 0.00 ATOM 890 OH TYR 109 127.985 -1.827 -8.871 1.00 0.00 ATOM 891 O TYR 109 122.833 -0.429 -5.693 1.00 0.00 ATOM 892 C TYR 109 122.425 -1.559 -5.950 1.00 0.00 ATOM 893 N GLN 110 121.629 -1.811 -6.985 1.00 0.00 ATOM 894 CA GLN 110 121.257 -0.753 -7.917 1.00 0.00 ATOM 895 CB GLN 110 120.731 -1.321 -9.257 1.00 0.00 ATOM 896 CG GLN 110 119.464 -2.169 -9.197 1.00 0.00 ATOM 897 CD GLN 110 118.190 -1.396 -9.494 1.00 0.00 ATOM 898 OE1 GLN 110 117.788 -1.268 -10.645 1.00 0.00 ATOM 899 NE2 GLN 110 117.518 -0.939 -8.484 1.00 0.00 ATOM 900 O GLN 110 120.342 1.440 -7.603 1.00 0.00 ATOM 901 C GLN 110 120.315 0.259 -7.266 1.00 0.00 ATOM 902 N LEU 111 119.492 -0.214 -6.317 1.00 0.00 ATOM 903 CA LEU 111 118.627 0.676 -5.508 1.00 0.00 ATOM 904 CB LEU 111 117.854 -0.092 -4.420 1.00 0.00 ATOM 905 CG LEU 111 116.716 -1.002 -4.854 1.00 0.00 ATOM 906 CD1 LEU 111 116.150 -1.724 -3.636 1.00 0.00 ATOM 907 CD2 LEU 111 115.622 -0.194 -5.541 1.00 0.00 ATOM 908 O LEU 111 119.252 2.925 -4.993 1.00 0.00 ATOM 909 C LEU 111 119.465 1.730 -4.816 1.00 0.00 ATOM 910 N MET 112 120.441 1.273 -4.051 1.00 0.00 ATOM 911 CA MET 112 121.313 2.161 -3.298 1.00 0.00 ATOM 912 CB MET 112 122.200 1.390 -2.330 1.00 0.00 ATOM 913 CG MET 112 121.455 0.761 -1.168 1.00 0.00 ATOM 914 SD MET 112 122.536 -0.184 -0.084 1.00 0.00 ATOM 915 CE MET 112 123.115 -1.434 -1.215 1.00 0.00 ATOM 916 O MET 112 122.497 4.133 -3.851 1.00 0.00 ATOM 917 C MET 112 122.156 3.023 -4.206 1.00 0.00 ATOM 918 N GLU 113 122.474 2.512 -5.375 1.00 0.00 ATOM 919 CA GLU 113 123.254 3.240 -6.358 1.00 0.00 ATOM 920 CB GLU 113 123.564 2.299 -7.557 1.00 0.00 ATOM 921 CG GLU 113 124.579 2.792 -8.609 1.00 0.00 ATOM 922 CD GLU 113 124.127 3.985 -9.426 1.00 0.00 ATOM 923 OE1 GLU 113 124.801 5.025 -9.404 1.00 0.00 ATOM 924 OE2 GLU 113 123.087 3.903 -10.107 1.00 0.00 ATOM 925 O GLU 113 122.855 5.625 -6.471 1.00 0.00 ATOM 926 C GLU 113 122.476 4.494 -6.800 1.00 0.00 ATOM 927 N GLN 114 121.357 4.276 -7.456 1.00 0.00 ATOM 928 CA GLN 114 120.576 5.359 -8.036 1.00 0.00 ATOM 929 CB GLN 114 119.512 4.800 -8.992 1.00 0.00 ATOM 930 CG GLN 114 118.520 3.843 -8.345 1.00 0.00 ATOM 931 CD GLN 114 117.629 3.169 -9.356 1.00 0.00 ATOM 932 OE1 GLN 114 116.550 3.664 -9.693 1.00 0.00 ATOM 933 NE2 GLN 114 118.075 2.056 -9.869 1.00 0.00 ATOM 934 O GLN 114 119.756 7.455 -7.225 1.00 0.00 ATOM 935 C GLN 114 119.953 6.271 -6.982 1.00 0.00 ATOM 936 N ASP 115 119.667 5.729 -5.827 1.00 0.00 ATOM 937 CA ASP 115 119.032 6.505 -4.771 1.00 0.00 ATOM 938 CB ASP 115 118.107 5.625 -3.930 1.00 0.00 ATOM 939 CG ASP 115 117.485 6.358 -2.756 1.00 0.00 ATOM 940 OD1 ASP 115 116.354 6.866 -2.895 1.00 0.00 ATOM 941 OD2 ASP 115 118.112 6.415 -1.665 1.00 0.00 ATOM 942 O ASP 115 119.991 8.388 -3.663 1.00 0.00 ATOM 943 C ASP 115 120.033 7.181 -3.856 1.00 0.00 ATOM 944 N SER 116 120.924 6.412 -3.293 1.00 0.00 ATOM 945 CA SER 116 121.778 6.919 -2.255 1.00 0.00 ATOM 946 CB SER 116 121.823 5.914 -1.111 1.00 0.00 ATOM 947 OG SER 116 120.509 5.578 -0.678 1.00 0.00 ATOM 948 O SER 116 123.764 8.229 -2.242 1.00 0.00 ATOM 949 C SER 116 123.198 7.281 -2.731 1.00 0.00 ATOM 950 N TYR 117 123.742 6.558 -3.702 1.00 0.00 ATOM 951 CA TYR 117 125.137 6.754 -4.149 1.00 0.00 ATOM 952 CB TYR 117 125.526 5.639 -5.116 1.00 0.00 ATOM 953 CG TYR 117 126.850 5.789 -5.834 1.00 0.00 ATOM 954 CD1 TYR 117 128.053 5.923 -5.156 1.00 0.00 ATOM 955 CD2 TYR 117 126.882 5.756 -7.210 1.00 0.00 ATOM 956 CE1 TYR 117 129.245 6.024 -5.852 1.00 0.00 ATOM 957 CE2 TYR 117 128.056 5.858 -7.902 1.00 0.00 ATOM 958 CZ TYR 117 129.229 5.992 -7.231 1.00 0.00 ATOM 959 OH TYR 117 130.400 6.077 -7.939 1.00 0.00 ATOM 960 O TYR 117 126.396 8.756 -4.523 1.00 0.00 ATOM 961 C TYR 117 125.363 8.131 -4.750 1.00 0.00 ATOM 962 N THR 118 124.395 8.600 -5.464 1.00 0.00 ATOM 963 CA THR 118 124.424 9.903 -6.086 1.00 0.00 ATOM 964 CB THR 118 123.101 10.060 -6.836 1.00 0.00 ATOM 965 CG2 THR 118 123.131 9.276 -8.133 1.00 0.00 ATOM 966 OG1 THR 118 122.059 9.524 -5.996 1.00 0.00 ATOM 967 O THR 118 125.557 11.828 -5.014 1.00 0.00 ATOM 968 C THR 118 124.586 11.014 -5.014 1.00 0.00 ATOM 969 N ARG 119 123.685 11.004 -4.078 1.00 0.00 ATOM 970 CA ARG 119 123.703 11.948 -2.996 1.00 0.00 ATOM 971 CB ARG 119 122.323 12.059 -2.349 1.00 0.00 ATOM 972 CG ARG 119 121.675 10.735 -2.029 1.00 0.00 ATOM 973 CD ARG 119 120.275 10.926 -1.502 1.00 0.00 ATOM 974 NE ARG 119 119.643 9.650 -1.166 1.00 0.00 ATOM 975 CZ ARG 119 119.317 9.285 0.073 1.00 0.00 ATOM 976 NH1 ARG 119 119.561 10.107 1.076 1.00 0.00 ATOM 977 NH2 ARG 119 118.732 8.123 0.306 1.00 0.00 ATOM 978 O ARG 119 125.317 12.541 -1.324 1.00 0.00 ATOM 979 C ARG 119 124.843 11.652 -2.006 1.00 0.00 ATOM 980 N PHE 120 125.296 10.403 -1.968 1.00 0.00 ATOM 981 CA PHE 120 126.487 10.038 -1.208 1.00 0.00 ATOM 982 CB PHE 120 126.722 8.508 -1.200 1.00 0.00 ATOM 983 CG PHE 120 128.100 8.085 -0.732 1.00 0.00 ATOM 984 CD1 PHE 120 129.069 7.738 -1.663 1.00 0.00 ATOM 985 CD2 PHE 120 128.436 8.054 0.617 1.00 0.00 ATOM 986 CE1 PHE 120 130.332 7.371 -1.267 1.00 0.00 ATOM 987 CE2 PHE 120 129.712 7.677 1.015 1.00 0.00 ATOM 988 CZ PHE 120 130.654 7.339 0.070 1.00 0.00 ATOM 989 O PHE 120 128.509 11.268 -1.052 1.00 0.00 ATOM 990 C PHE 120 127.689 10.759 -1.783 1.00 0.00 ATOM 991 N LEU 121 127.762 10.833 -3.090 1.00 0.00 ATOM 992 CA LEU 121 128.844 11.547 -3.746 1.00 0.00 ATOM 993 CB LEU 121 128.811 11.336 -5.262 1.00 0.00 ATOM 994 CG LEU 121 129.058 9.898 -5.714 1.00 0.00 ATOM 995 CD1 LEU 121 128.953 9.774 -7.225 1.00 0.00 ATOM 996 CD2 LEU 121 130.421 9.432 -5.233 1.00 0.00 ATOM 997 O LEU 121 129.851 13.676 -3.345 1.00 0.00 ATOM 998 C LEU 121 128.819 13.022 -3.385 1.00 0.00 ATOM 999 N LYS 122 127.644 13.538 -3.108 1.00 0.00 ATOM 1000 CA LYS 122 127.533 14.924 -2.669 1.00 0.00 ATOM 1001 CB LYS 122 126.386 15.619 -3.442 1.00 0.00 ATOM 1002 CG LYS 122 126.243 17.129 -3.210 1.00 0.00 ATOM 1003 CD LYS 122 127.538 17.898 -3.497 1.00 0.00 ATOM 1004 CE LYS 122 127.992 17.763 -4.939 1.00 0.00 ATOM 1005 NZ LYS 122 129.217 18.546 -5.196 1.00 0.00 ATOM 1006 O LYS 122 127.156 16.122 -0.557 1.00 0.00 ATOM 1007 C LYS 122 127.378 15.036 -1.104 1.00 0.00 ATOM 1008 N SER 123 127.507 13.931 -0.396 1.00 0.00 ATOM 1009 CA SER 123 127.418 13.963 1.065 1.00 0.00 ATOM 1010 CB SER 123 127.118 12.580 1.639 1.00 0.00 ATOM 1011 OG SER 123 128.225 11.697 1.479 1.00 0.00 ATOM 1012 O SER 123 129.795 14.274 1.091 1.00 0.00 ATOM 1013 C SER 123 128.722 14.464 1.668 1.00 0.00 ATOM 1014 N ASP 124 128.634 15.048 2.847 1.00 0.00 ATOM 1015 CA ASP 124 129.802 15.563 3.558 1.00 0.00 ATOM 1016 CB ASP 124 129.421 16.392 4.794 1.00 0.00 ATOM 1017 CG ASP 124 128.888 15.550 5.932 1.00 0.00 ATOM 1018 OD1 ASP 124 127.696 15.174 5.894 1.00 0.00 ATOM 1019 OD2 ASP 124 129.646 15.251 6.884 1.00 0.00 ATOM 1020 O ASP 124 131.861 14.673 4.301 1.00 0.00 ATOM 1021 C ASP 124 130.708 14.435 4.002 1.00 0.00 ATOM 1022 N ILE 125 130.199 13.207 4.067 1.00 0.00 ATOM 1023 CA ILE 125 131.047 12.111 4.463 1.00 0.00 ATOM 1024 CB ILE 125 130.225 10.838 4.978 1.00 0.00 ATOM 1025 CG1 ILE 125 131.078 9.898 5.873 1.00 0.00 ATOM 1026 CG2 ILE 125 129.568 10.038 3.859 1.00 0.00 ATOM 1027 CD1 ILE 125 132.242 9.188 5.204 1.00 0.00 ATOM 1028 O ILE 125 133.216 11.735 3.473 1.00 0.00 ATOM 1029 C ILE 125 131.999 11.806 3.294 1.00 0.00 ATOM 1030 N TYR 126 131.456 11.751 2.083 1.00 0.00 ATOM 1031 CA TYR 126 132.273 11.494 0.926 1.00 0.00 ATOM 1032 CB TYR 126 131.444 10.994 -0.256 1.00 0.00 ATOM 1033 CG TYR 126 132.268 10.701 -1.487 1.00 0.00 ATOM 1034 CD1 TYR 126 132.189 11.509 -2.603 1.00 0.00 ATOM 1035 CD2 TYR 126 133.161 9.643 -1.507 1.00 0.00 ATOM 1036 CE1 TYR 126 132.964 11.276 -3.703 1.00 0.00 ATOM 1037 CE2 TYR 126 133.939 9.392 -2.607 1.00 0.00 ATOM 1038 CZ TYR 126 133.834 10.216 -3.709 1.00 0.00 ATOM 1039 OH TYR 126 134.627 9.999 -4.808 1.00 0.00 ATOM 1040 O TYR 126 134.233 12.631 0.141 1.00 0.00 ATOM 1041 C TYR 126 133.082 12.734 0.560 1.00 0.00 ATOM 1042 N LEU 127 132.503 13.904 0.763 1.00 0.00 ATOM 1043 CA LEU 127 133.199 15.152 0.496 1.00 0.00 ATOM 1044 CB LEU 127 132.241 16.346 0.439 1.00 0.00 ATOM 1045 CG LEU 127 131.182 16.291 -0.668 1.00 0.00 ATOM 1046 CD1 LEU 127 130.327 17.542 -0.668 1.00 0.00 ATOM 1047 CD2 LEU 127 131.824 16.078 -2.028 1.00 0.00 ATOM 1048 O LEU 127 135.232 16.158 1.263 1.00 0.00 ATOM 1049 C LEU 127 134.307 15.383 1.507 1.00 0.00 ATOM 1050 N ASP 128 134.229 14.707 2.630 1.00 0.00 ATOM 1051 CA ASP 128 135.288 14.767 3.619 1.00 0.00 ATOM 1052 CB ASP 128 134.810 14.330 4.995 1.00 0.00 ATOM 1053 CG ASP 128 135.856 14.535 6.055 1.00 0.00 ATOM 1054 OD1 ASP 128 135.914 15.642 6.642 1.00 0.00 ATOM 1055 OD2 ASP 128 136.626 13.597 6.339 1.00 0.00 ATOM 1056 O ASP 128 137.583 14.218 3.361 1.00 0.00 ATOM 1057 C ASP 128 136.429 13.886 3.166 1.00 0.00 ATOM 1058 N LEU 129 136.088 12.766 2.521 1.00 0.00 ATOM 1059 CA LEU 129 137.093 11.866 1.941 1.00 0.00 ATOM 1060 CB LEU 129 136.439 10.580 1.400 1.00 0.00 ATOM 1061 CG LEU 129 135.417 9.882 2.310 1.00 0.00 ATOM 1062 CD1 LEU 129 134.681 8.823 1.543 1.00 0.00 ATOM 1063 CD2 LEU 129 136.079 9.259 3.528 1.00 0.00 ATOM 1064 O LEU 129 138.937 12.376 0.466 1.00 0.00 ATOM 1065 C LEU 129 137.766 12.598 0.777 1.00 0.00 ATOM 1066 N MET 130 136.989 13.469 0.135 1.00 0.00 ATOM 1067 CA MET 130 137.472 14.300 -0.954 1.00 0.00 ATOM 1068 CB MET 130 136.308 14.987 -1.712 1.00 0.00 ATOM 1069 CG MET 130 135.328 14.077 -2.485 1.00 0.00 ATOM 1070 SD MET 130 136.072 13.160 -3.859 1.00 0.00 ATOM 1071 CE MET 130 137.021 11.908 -2.997 1.00 0.00 ATOM 1072 O MET 130 139.443 15.637 -1.080 1.00 0.00 ATOM 1073 C MET 130 138.426 15.362 -0.445 1.00 0.00 ATOM 1074 N GLU 131 138.094 15.936 0.704 1.00 0.00 ATOM 1075 CA GLU 131 138.840 17.037 1.307 1.00 0.00 ATOM 1076 CB GLU 131 140.265 16.648 1.745 1.00 0.00 ATOM 1077 CG GLU 131 140.275 15.671 2.901 1.00 0.00 ATOM 1078 CD GLU 131 141.645 15.335 3.404 1.00 0.00 ATOM 1079 OE1 GLU 131 142.072 14.181 3.262 1.00 0.00 ATOM 1080 OE2 GLU 131 142.310 16.213 3.984 1.00 0.00 ATOM 1081 O GLU 131 139.682 18.470 -0.442 1.00 0.00 ATOM 1082 C GLU 131 138.820 18.273 0.424 1.00 0.00 ATOM 1083 N GLY 132 137.803 19.060 0.614 1.00 0.00 ATOM 1084 CA GLY 132 137.620 20.264 -0.136 1.00 0.00 ATOM 1085 O GLY 132 137.014 22.123 1.223 1.00 0.00 ATOM 1086 C GLY 132 136.637 21.139 0.564 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 T0302.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0302)K52.C and (T0302)S53.C only 0 apart, marking (T0302)S53.C as missing WARNING: atoms too close: (T0302)S53.N and (T0302)K54.N only 0 apart, marking (T0302)S53.N as missing WARNING: atoms too close: (T0302)S53.CA and (T0302)K54.CA only 0 apart, marking (T0302)S53.CA as missing # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.977 # GDT_score = -75.568 # GDT_score(maxd=8.000,maxw=2.900)= -80.261 # GDT_score(maxd=8.000,maxw=3.200)= -76.446 # GDT_score(maxd=8.000,maxw=3.500)= -72.586 # GDT_score(maxd=10.000,maxw=3.800)= -74.973 # GDT_score(maxd=10.000,maxw=4.000)= -72.558 # GDT_score(maxd=10.000,maxw=4.200)= -70.164 # GDT_score(maxd=12.000,maxw=4.300)= -73.683 # GDT_score(maxd=12.000,maxw=4.500)= -71.360 # GDT_score(maxd=12.000,maxw=4.700)= -69.092 # GDT_score(maxd=14.000,maxw=5.200)= -67.476 # GDT_score(maxd=14.000,maxw=5.500)= -64.515 # command:# ReadConformPDB reading from PDB file T0302.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.962 # GDT_score = -75.189 # GDT_score(maxd=8.000,maxw=2.900)= -78.956 # GDT_score(maxd=8.000,maxw=3.200)= -74.996 # GDT_score(maxd=8.000,maxw=3.500)= -71.041 # GDT_score(maxd=10.000,maxw=3.800)= -73.431 # GDT_score(maxd=10.000,maxw=4.000)= -71.017 # GDT_score(maxd=10.000,maxw=4.200)= -68.702 # GDT_score(maxd=12.000,maxw=4.300)= -72.150 # GDT_score(maxd=12.000,maxw=4.500)= -69.918 # GDT_score(maxd=12.000,maxw=4.700)= -67.738 # GDT_score(maxd=14.000,maxw=5.200)= -66.069 # GDT_score(maxd=14.000,maxw=5.500)= -63.020 # command:# ReadConformPDB reading from PDB file T0302.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0302)K52.C and (T0302)S53.C only 0 apart, marking (T0302)S53.C as missing WARNING: atoms too close: (T0302)S53.N and (T0302)K54.N only 0 apart, marking (T0302)S53.N as missing WARNING: atoms too close: (T0302)S53.CA and (T0302)K54.CA only 0 apart, marking (T0302)S53.CA as missing # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0302.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0302.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0302)S53.C and (T0302)K54.C only 0 apart, marking (T0302)K54.C as missing WARNING: atoms too close: (T0302)K54.N and (T0302)G55.N only 0 apart, marking (T0302)K54.N as missing WARNING: atoms too close: (T0302)K54.CA and (T0302)G55.CA only 0 apart, marking (T0302)K54.CA as missing WARNING: atoms too close: (T0302)S116.C and (T0302)S123.C only 0 apart, marking (T0302)S123.C as missing WARNING: atoms too close: (T0302)Y117.N and (T0302)D124.N only 0 apart, marking (T0302)Y117.N as missing WARNING: atoms too close: (T0302)Y117.CA and (T0302)D124.CA only 0 apart, marking (T0302)Y117.CA as missing # WARNING: incomplete conformation T0302 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 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0302.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try1-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0302.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try2-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0302.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1652432775.pdb -s /var/tmp/to_scwrl_1652432775.seq -o /var/tmp/from_scwrl_1652432775.pdb > /var/tmp/scwrl_1652432775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1652432775.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_201838587.pdb -s /var/tmp/to_scwrl_201838587.seq -o /var/tmp/from_scwrl_201838587.pdb > /var/tmp/scwrl_201838587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201838587.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2064252229.pdb -s /var/tmp/to_scwrl_2064252229.seq -o /var/tmp/from_scwrl_2064252229.pdb > /var/tmp/scwrl_2064252229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2064252229.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1885021024.pdb -s /var/tmp/to_scwrl_1885021024.seq -o /var/tmp/from_scwrl_1885021024.pdb > /var/tmp/scwrl_1885021024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1885021024.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1473520623.pdb -s /var/tmp/to_scwrl_1473520623.seq -o /var/tmp/from_scwrl_1473520623.pdb > /var/tmp/scwrl_1473520623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1473520623.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_867837702.pdb -s /var/tmp/to_scwrl_867837702.seq -o /var/tmp/from_scwrl_867837702.pdb > /var/tmp/scwrl_867837702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_867837702.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1384955402.pdb -s /var/tmp/to_scwrl_1384955402.seq -o /var/tmp/from_scwrl_1384955402.pdb > /var/tmp/scwrl_1384955402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1384955402.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1350897845.pdb -s /var/tmp/to_scwrl_1350897845.seq -o /var/tmp/from_scwrl_1350897845.pdb > /var/tmp/scwrl_1350897845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350897845.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1646597904.pdb -s /var/tmp/to_scwrl_1646597904.seq -o /var/tmp/from_scwrl_1646597904.pdb > /var/tmp/scwrl_1646597904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1646597904.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1508709385.pdb -s /var/tmp/to_scwrl_1508709385.seq -o /var/tmp/from_scwrl_1508709385.pdb > /var/tmp/scwrl_1508709385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1508709385.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2031687432.pdb -s /var/tmp/to_scwrl_2031687432.seq -o /var/tmp/from_scwrl_2031687432.pdb > /var/tmp/scwrl_2031687432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031687432.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_908267803.pdb -s /var/tmp/to_scwrl_908267803.seq -o /var/tmp/from_scwrl_908267803.pdb > /var/tmp/scwrl_908267803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_908267803.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_86535227.pdb -s /var/tmp/to_scwrl_86535227.seq -o /var/tmp/from_scwrl_86535227.pdb > /var/tmp/scwrl_86535227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86535227.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_25100745.pdb -s /var/tmp/to_scwrl_25100745.seq -o /var/tmp/from_scwrl_25100745.pdb > /var/tmp/scwrl_25100745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25100745.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1573583025.pdb -s /var/tmp/to_scwrl_1573583025.seq -o /var/tmp/from_scwrl_1573583025.pdb > /var/tmp/scwrl_1573583025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1573583025.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 119 ; scwrl3 -i /var/tmp/to_scwrl_463794871.pdb -s /var/tmp/to_scwrl_463794871.seq -o /var/tmp/from_scwrl_463794871.pdb > /var/tmp/scwrl_463794871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_463794871.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1963261545.pdb -s /var/tmp/to_scwrl_1963261545.seq -o /var/tmp/from_scwrl_1963261545.pdb > /var/tmp/scwrl_1963261545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1963261545.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 96 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1888137779.pdb -s /var/tmp/to_scwrl_1888137779.seq -o /var/tmp/from_scwrl_1888137779.pdb > /var/tmp/scwrl_1888137779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1888137779.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 76 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1276850815.pdb -s /var/tmp/to_scwrl_1276850815.seq -o /var/tmp/from_scwrl_1276850815.pdb > /var/tmp/scwrl_1276850815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1276850815.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1097056506.pdb -s /var/tmp/to_scwrl_1097056506.seq -o /var/tmp/from_scwrl_1097056506.pdb > /var/tmp/scwrl_1097056506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097056506.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 111 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_519334714.pdb -s /var/tmp/to_scwrl_519334714.seq -o /var/tmp/from_scwrl_519334714.pdb > /var/tmp/scwrl_519334714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519334714.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 114 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_466438989.pdb -s /var/tmp/to_scwrl_466438989.seq -o /var/tmp/from_scwrl_466438989.pdb > /var/tmp/scwrl_466438989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466438989.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_495348434.pdb -s /var/tmp/to_scwrl_495348434.seq -o /var/tmp/from_scwrl_495348434.pdb > /var/tmp/scwrl_495348434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_495348434.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_648828602.pdb -s /var/tmp/to_scwrl_648828602.seq -o /var/tmp/from_scwrl_648828602.pdb > /var/tmp/scwrl_648828602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_648828602.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 102 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_325255864.pdb -s /var/tmp/to_scwrl_325255864.seq -o /var/tmp/from_scwrl_325255864.pdb > /var/tmp/scwrl_325255864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_325255864.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 2 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_954018322.pdb -s /var/tmp/to_scwrl_954018322.seq -o /var/tmp/from_scwrl_954018322.pdb > /var/tmp/scwrl_954018322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_954018322.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_331122278.pdb -s /var/tmp/to_scwrl_331122278.seq -o /var/tmp/from_scwrl_331122278.pdb > /var/tmp/scwrl_331122278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331122278.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 119 ; scwrl3 -i /var/tmp/to_scwrl_393247702.pdb -s /var/tmp/to_scwrl_393247702.seq -o /var/tmp/from_scwrl_393247702.pdb > /var/tmp/scwrl_393247702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_393247702.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1459221898.pdb -s /var/tmp/to_scwrl_1459221898.seq -o /var/tmp/from_scwrl_1459221898.pdb > /var/tmp/scwrl_1459221898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1459221898.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 95 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_256679154.pdb -s /var/tmp/to_scwrl_256679154.seq -o /var/tmp/from_scwrl_256679154.pdb > /var/tmp/scwrl_256679154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_256679154.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 98 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1815630654.pdb -s /var/tmp/to_scwrl_1815630654.seq -o /var/tmp/from_scwrl_1815630654.pdb > /var/tmp/scwrl_1815630654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1815630654.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 96 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_964171027.pdb -s /var/tmp/to_scwrl_964171027.seq -o /var/tmp/from_scwrl_964171027.pdb > /var/tmp/scwrl_964171027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_964171027.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 96 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_458517742.pdb -s /var/tmp/to_scwrl_458517742.seq -o /var/tmp/from_scwrl_458517742.pdb > /var/tmp/scwrl_458517742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_458517742.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1732399236.pdb -s /var/tmp/to_scwrl_1732399236.seq -o /var/tmp/from_scwrl_1732399236.pdb > /var/tmp/scwrl_1732399236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1732399236.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 110 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_701708404.pdb -s /var/tmp/to_scwrl_701708404.seq -o /var/tmp/from_scwrl_701708404.pdb > /var/tmp/scwrl_701708404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701708404.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1932038365.pdb -s /var/tmp/to_scwrl_1932038365.seq -o /var/tmp/from_scwrl_1932038365.pdb > /var/tmp/scwrl_1932038365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932038365.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_452753292.pdb -s /var/tmp/to_scwrl_452753292.seq -o /var/tmp/from_scwrl_452753292.pdb > /var/tmp/scwrl_452753292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_452753292.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2086663806.pdb -s /var/tmp/to_scwrl_2086663806.seq -o /var/tmp/from_scwrl_2086663806.pdb > /var/tmp/scwrl_2086663806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2086663806.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 # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1135452563.pdb -s /var/tmp/to_scwrl_1135452563.seq -o /var/tmp/from_scwrl_1135452563.pdb > /var/tmp/scwrl_1135452563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1135452563.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 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2099351196.pdb -s /var/tmp/to_scwrl_2099351196.seq -o /var/tmp/from_scwrl_2099351196.pdb > /var/tmp/scwrl_2099351196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099351196.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 # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1447889544.pdb -s /var/tmp/to_scwrl_1447889544.seq -o /var/tmp/from_scwrl_1447889544.pdb > /var/tmp/scwrl_1447889544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1447889544.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 # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1019656349.pdb -s /var/tmp/to_scwrl_1019656349.seq -o /var/tmp/from_scwrl_1019656349.pdb > /var/tmp/scwrl_1019656349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1019656349.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 T0302 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_860135352.pdb -s /var/tmp/to_scwrl_860135352.seq -o /var/tmp/from_scwrl_860135352.pdb > /var/tmp/scwrl_860135352.log Error: Couldn't open file /var/tmp/from_scwrl_860135352.pdb or /var/tmp/from_scwrl_860135352.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_860135352_b.pdb or decoys//var/tmp/from_scwrl_860135352_b.pdb.gz for input Trying /var/tmp/from_scwrl_860135352_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_860135352_b.pdb or /var/tmp/from_scwrl_860135352_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_860135352_a.pdb or decoys//var/tmp/from_scwrl_860135352_a.pdb.gz for input Trying /var/tmp/from_scwrl_860135352_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_860135352_a.pdb or /var/tmp/from_scwrl_860135352_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_860135352.pdb or /var/tmp/from_scwrl_860135352_b.pdb or /var/tmp/from_scwrl_860135352_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 T0302 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1534424771.pdb -s /var/tmp/to_scwrl_1534424771.seq -o /var/tmp/from_scwrl_1534424771.pdb > /var/tmp/scwrl_1534424771.log Error: Couldn't open file /var/tmp/from_scwrl_1534424771.pdb or /var/tmp/from_scwrl_1534424771.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1534424771_b.pdb or decoys//var/tmp/from_scwrl_1534424771_b.pdb.gz for input Trying /var/tmp/from_scwrl_1534424771_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1534424771_b.pdb or /var/tmp/from_scwrl_1534424771_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1534424771_a.pdb or decoys//var/tmp/from_scwrl_1534424771_a.pdb.gz for input Trying /var/tmp/from_scwrl_1534424771_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1534424771_a.pdb or /var/tmp/from_scwrl_1534424771_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1534424771.pdb or /var/tmp/from_scwrl_1534424771_b.pdb or /var/tmp/from_scwrl_1534424771_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 T0302 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1044757094.pdb -s /var/tmp/to_scwrl_1044757094.seq -o /var/tmp/from_scwrl_1044757094.pdb > /var/tmp/scwrl_1044757094.log Error: Couldn't open file /var/tmp/from_scwrl_1044757094.pdb or /var/tmp/from_scwrl_1044757094.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1044757094_b.pdb or decoys//var/tmp/from_scwrl_1044757094_b.pdb.gz for input Trying /var/tmp/from_scwrl_1044757094_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1044757094_b.pdb or /var/tmp/from_scwrl_1044757094_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1044757094_a.pdb or decoys//var/tmp/from_scwrl_1044757094_a.pdb.gz for input Trying /var/tmp/from_scwrl_1044757094_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1044757094_a.pdb or /var/tmp/from_scwrl_1044757094_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1044757094.pdb or /var/tmp/from_scwrl_1044757094_b.pdb or /var/tmp/from_scwrl_1044757094_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 T0302 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_286234730.pdb -s /var/tmp/to_scwrl_286234730.seq -o /var/tmp/from_scwrl_286234730.pdb > /var/tmp/scwrl_286234730.log Error: Couldn't open file /var/tmp/from_scwrl_286234730.pdb or /var/tmp/from_scwrl_286234730.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_286234730_b.pdb or decoys//var/tmp/from_scwrl_286234730_b.pdb.gz for input Trying /var/tmp/from_scwrl_286234730_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_286234730_b.pdb or /var/tmp/from_scwrl_286234730_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_286234730_a.pdb or decoys//var/tmp/from_scwrl_286234730_a.pdb.gz for input Trying /var/tmp/from_scwrl_286234730_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_286234730_a.pdb or /var/tmp/from_scwrl_286234730_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_286234730.pdb or /var/tmp/from_scwrl_286234730_b.pdb or /var/tmp/from_scwrl_286234730_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 T0302 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1998219642.pdb -s /var/tmp/to_scwrl_1998219642.seq -o /var/tmp/from_scwrl_1998219642.pdb > /var/tmp/scwrl_1998219642.log Error: Couldn't open file /var/tmp/from_scwrl_1998219642.pdb or /var/tmp/from_scwrl_1998219642.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1998219642_b.pdb or decoys//var/tmp/from_scwrl_1998219642_b.pdb.gz for input Trying /var/tmp/from_scwrl_1998219642_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1998219642_b.pdb or /var/tmp/from_scwrl_1998219642_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1998219642_a.pdb or decoys//var/tmp/from_scwrl_1998219642_a.pdb.gz for input Trying /var/tmp/from_scwrl_1998219642_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1998219642_a.pdb or /var/tmp/from_scwrl_1998219642_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1998219642.pdb or /var/tmp/from_scwrl_1998219642_b.pdb or /var/tmp/from_scwrl_1998219642_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 # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_860534993.pdb -s /var/tmp/to_scwrl_860534993.seq -o /var/tmp/from_scwrl_860534993.pdb > /var/tmp/scwrl_860534993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_860534993.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_26888862.pdb -s /var/tmp/to_scwrl_26888862.seq -o /var/tmp/from_scwrl_26888862.pdb > /var/tmp/scwrl_26888862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_26888862.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1127586811.pdb -s /var/tmp/to_scwrl_1127586811.seq -o /var/tmp/from_scwrl_1127586811.pdb > /var/tmp/scwrl_1127586811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1127586811.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 # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1957591499.pdb -s /var/tmp/to_scwrl_1957591499.seq -o /var/tmp/from_scwrl_1957591499.pdb > /var/tmp/scwrl_1957591499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1957591499.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_546223576.pdb -s /var/tmp/to_scwrl_546223576.seq -o /var/tmp/from_scwrl_546223576.pdb > /var/tmp/scwrl_546223576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_546223576.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 124 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1594025800.pdb -s /var/tmp/to_scwrl_1594025800.seq -o /var/tmp/from_scwrl_1594025800.pdb > /var/tmp/scwrl_1594025800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1594025800.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 110 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_305456286.pdb -s /var/tmp/to_scwrl_305456286.seq -o /var/tmp/from_scwrl_305456286.pdb > /var/tmp/scwrl_305456286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305456286.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1195052178.pdb -s /var/tmp/to_scwrl_1195052178.seq -o /var/tmp/from_scwrl_1195052178.pdb > /var/tmp/scwrl_1195052178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195052178.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 127 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1919281664.pdb -s /var/tmp/to_scwrl_1919281664.seq -o /var/tmp/from_scwrl_1919281664.pdb > /var/tmp/scwrl_1919281664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1919281664.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 96 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1259474607.pdb -s /var/tmp/to_scwrl_1259474607.seq -o /var/tmp/from_scwrl_1259474607.pdb > /var/tmp/scwrl_1259474607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1259474607.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1526174456.pdb -s /var/tmp/to_scwrl_1526174456.seq -o /var/tmp/from_scwrl_1526174456.pdb > /var/tmp/scwrl_1526174456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526174456.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 130 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_165045719.pdb -s /var/tmp/to_scwrl_165045719.seq -o /var/tmp/from_scwrl_165045719.pdb > /var/tmp/scwrl_165045719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_165045719.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 76 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_571212859.pdb -s /var/tmp/to_scwrl_571212859.seq -o /var/tmp/from_scwrl_571212859.pdb > /var/tmp/scwrl_571212859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_571212859.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 98 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1782853611.pdb -s /var/tmp/to_scwrl_1782853611.seq -o /var/tmp/from_scwrl_1782853611.pdb > /var/tmp/scwrl_1782853611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782853611.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1980676374.pdb -s /var/tmp/to_scwrl_1980676374.seq -o /var/tmp/from_scwrl_1980676374.pdb > /var/tmp/scwrl_1980676374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1980676374.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 T0302 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1535383885.pdb -s /var/tmp/to_scwrl_1535383885.seq -o /var/tmp/from_scwrl_1535383885.pdb > /var/tmp/scwrl_1535383885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1535383885.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_93887706.pdb -s /var/tmp/to_scwrl_93887706.seq -o /var/tmp/from_scwrl_93887706.pdb > /var/tmp/scwrl_93887706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_93887706.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1565591963.pdb -s /var/tmp/to_scwrl_1565591963.seq -o /var/tmp/from_scwrl_1565591963.pdb > /var/tmp/scwrl_1565591963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1565591963.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 Skipped atom 266, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 274, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 276, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_89608642.pdb -s /var/tmp/to_scwrl_89608642.seq -o /var/tmp/from_scwrl_89608642.pdb > /var/tmp/scwrl_89608642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89608642.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2025926071.pdb -s /var/tmp/to_scwrl_2025926071.seq -o /var/tmp/from_scwrl_2025926071.pdb > /var/tmp/scwrl_2025926071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2025926071.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 T0302 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2018345255.pdb -s /var/tmp/to_scwrl_2018345255.seq -o /var/tmp/from_scwrl_2018345255.pdb > /var/tmp/scwrl_2018345255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2018345255.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_28788801.pdb -s /var/tmp/to_scwrl_28788801.seq -o /var/tmp/from_scwrl_28788801.pdb > /var/tmp/scwrl_28788801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_28788801.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1013894988.pdb -s /var/tmp/to_scwrl_1013894988.seq -o /var/tmp/from_scwrl_1013894988.pdb > /var/tmp/scwrl_1013894988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013894988.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 Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 274, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 276, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1970212804.pdb -s /var/tmp/to_scwrl_1970212804.seq -o /var/tmp/from_scwrl_1970212804.pdb > /var/tmp/scwrl_1970212804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1970212804.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 T0302 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1476678346.pdb -s /var/tmp/to_scwrl_1476678346.seq -o /var/tmp/from_scwrl_1476678346.pdb > /var/tmp/scwrl_1476678346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1476678346.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 39 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2033551336.pdb -s /var/tmp/to_scwrl_2033551336.seq -o /var/tmp/from_scwrl_2033551336.pdb > /var/tmp/scwrl_2033551336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033551336.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_682864509.pdb -s /var/tmp/to_scwrl_682864509.seq -o /var/tmp/from_scwrl_682864509.pdb > /var/tmp/scwrl_682864509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682864509.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 119 ; scwrl3 -i /var/tmp/to_scwrl_863619471.pdb -s /var/tmp/to_scwrl_863619471.seq -o /var/tmp/from_scwrl_863619471.pdb > /var/tmp/scwrl_863619471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_863619471.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 # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_930824783.pdb -s /var/tmp/to_scwrl_930824783.seq -o /var/tmp/from_scwrl_930824783.pdb > /var/tmp/scwrl_930824783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930824783.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 # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_969099239.pdb -s /var/tmp/to_scwrl_969099239.seq -o /var/tmp/from_scwrl_969099239.pdb > /var/tmp/scwrl_969099239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_969099239.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_714355467.pdb -s /var/tmp/to_scwrl_714355467.seq -o /var/tmp/from_scwrl_714355467.pdb > /var/tmp/scwrl_714355467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_714355467.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 # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1791359775.pdb -s /var/tmp/to_scwrl_1791359775.seq -o /var/tmp/from_scwrl_1791359775.pdb > /var/tmp/scwrl_1791359775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1791359775.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_995988102.pdb -s /var/tmp/to_scwrl_995988102.seq -o /var/tmp/from_scwrl_995988102.pdb > /var/tmp/scwrl_995988102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995988102.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1841942278.pdb -s /var/tmp/to_scwrl_1841942278.seq -o /var/tmp/from_scwrl_1841942278.pdb > /var/tmp/scwrl_1841942278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841942278.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1601467627.pdb -s /var/tmp/to_scwrl_1601467627.seq -o /var/tmp/from_scwrl_1601467627.pdb > /var/tmp/scwrl_1601467627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1601467627.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 T0302 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1542211677.pdb -s /var/tmp/to_scwrl_1542211677.seq -o /var/tmp/from_scwrl_1542211677.pdb > /var/tmp/scwrl_1542211677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1542211677.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 T0302 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1288484431.pdb -s /var/tmp/to_scwrl_1288484431.seq -o /var/tmp/from_scwrl_1288484431.pdb > /var/tmp/scwrl_1288484431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288484431.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1906923914.pdb -s /var/tmp/to_scwrl_1906923914.seq -o /var/tmp/from_scwrl_1906923914.pdb > /var/tmp/scwrl_1906923914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906923914.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 T0302 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_589780209.pdb -s /var/tmp/to_scwrl_589780209.seq -o /var/tmp/from_scwrl_589780209.pdb > /var/tmp/scwrl_589780209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_589780209.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1060282450.pdb -s /var/tmp/to_scwrl_1060282450.seq -o /var/tmp/from_scwrl_1060282450.pdb > /var/tmp/scwrl_1060282450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060282450.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 89 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1018914875.pdb -s /var/tmp/to_scwrl_1018914875.seq -o /var/tmp/from_scwrl_1018914875.pdb > /var/tmp/scwrl_1018914875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018914875.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 127 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2115954666.pdb -s /var/tmp/to_scwrl_2115954666.seq -o /var/tmp/from_scwrl_2115954666.pdb > /var/tmp/scwrl_2115954666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2115954666.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 127 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1225328168.pdb -s /var/tmp/to_scwrl_1225328168.seq -o /var/tmp/from_scwrl_1225328168.pdb > /var/tmp/scwrl_1225328168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1225328168.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 128 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1590127734.pdb -s /var/tmp/to_scwrl_1590127734.seq -o /var/tmp/from_scwrl_1590127734.pdb > /var/tmp/scwrl_1590127734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590127734.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 131 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1751324630.pdb -s /var/tmp/to_scwrl_1751324630.seq -o /var/tmp/from_scwrl_1751324630.pdb > /var/tmp/scwrl_1751324630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1751324630.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1058520896.pdb -s /var/tmp/to_scwrl_1058520896.seq -o /var/tmp/from_scwrl_1058520896.pdb > /var/tmp/scwrl_1058520896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1058520896.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_978027973.pdb -s /var/tmp/to_scwrl_978027973.seq -o /var/tmp/from_scwrl_978027973.pdb > /var/tmp/scwrl_978027973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978027973.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1845212336.pdb -s /var/tmp/to_scwrl_1845212336.seq -o /var/tmp/from_scwrl_1845212336.pdb > /var/tmp/scwrl_1845212336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845212336.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_476629213.pdb -s /var/tmp/to_scwrl_476629213.seq -o /var/tmp/from_scwrl_476629213.pdb > /var/tmp/scwrl_476629213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_476629213.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1067636616.pdb -s /var/tmp/to_scwrl_1067636616.seq -o /var/tmp/from_scwrl_1067636616.pdb > /var/tmp/scwrl_1067636616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067636616.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 93 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1723654760.pdb -s /var/tmp/to_scwrl_1723654760.seq -o /var/tmp/from_scwrl_1723654760.pdb > /var/tmp/scwrl_1723654760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1723654760.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 100 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_347490821.pdb -s /var/tmp/to_scwrl_347490821.seq -o /var/tmp/from_scwrl_347490821.pdb > /var/tmp/scwrl_347490821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_347490821.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1096425416.pdb -s /var/tmp/to_scwrl_1096425416.seq -o /var/tmp/from_scwrl_1096425416.pdb > /var/tmp/scwrl_1096425416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1096425416.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_590066101.pdb -s /var/tmp/to_scwrl_590066101.seq -o /var/tmp/from_scwrl_590066101.pdb > /var/tmp/scwrl_590066101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_590066101.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_170219979.pdb -s /var/tmp/to_scwrl_170219979.seq -o /var/tmp/from_scwrl_170219979.pdb > /var/tmp/scwrl_170219979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170219979.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_425620116.pdb -s /var/tmp/to_scwrl_425620116.seq -o /var/tmp/from_scwrl_425620116.pdb > /var/tmp/scwrl_425620116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425620116.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 T0302 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_476133790.pdb -s /var/tmp/to_scwrl_476133790.seq -o /var/tmp/from_scwrl_476133790.pdb > /var/tmp/scwrl_476133790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_476133790.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 T0302 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_853084488.pdb -s /var/tmp/to_scwrl_853084488.seq -o /var/tmp/from_scwrl_853084488.pdb > /var/tmp/scwrl_853084488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853084488.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1289239587.pdb -s /var/tmp/to_scwrl_1289239587.seq -o /var/tmp/from_scwrl_1289239587.pdb > /var/tmp/scwrl_1289239587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1289239587.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1406958572.pdb -s /var/tmp/to_scwrl_1406958572.seq -o /var/tmp/from_scwrl_1406958572.pdb > /var/tmp/scwrl_1406958572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406958572.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1822183727.pdb -s /var/tmp/to_scwrl_1822183727.seq -o /var/tmp/from_scwrl_1822183727.pdb > /var/tmp/scwrl_1822183727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1822183727.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 T0302 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2003595054.pdb -s /var/tmp/to_scwrl_2003595054.seq -o /var/tmp/from_scwrl_2003595054.pdb > /var/tmp/scwrl_2003595054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2003595054.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 T0302 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1050834702.pdb -s /var/tmp/to_scwrl_1050834702.seq -o /var/tmp/from_scwrl_1050834702.pdb > /var/tmp/scwrl_1050834702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050834702.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 T0302 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_670688182.pdb -s /var/tmp/to_scwrl_670688182.seq -o /var/tmp/from_scwrl_670688182.pdb > /var/tmp/scwrl_670688182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_670688182.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1698053685.pdb -s /var/tmp/to_scwrl_1698053685.seq -o /var/tmp/from_scwrl_1698053685.pdb > /var/tmp/scwrl_1698053685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1698053685.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_504818682.pdb -s /var/tmp/to_scwrl_504818682.seq -o /var/tmp/from_scwrl_504818682.pdb > /var/tmp/scwrl_504818682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504818682.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 # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_65416212.pdb -s /var/tmp/to_scwrl_65416212.seq -o /var/tmp/from_scwrl_65416212.pdb > /var/tmp/scwrl_65416212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_65416212.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 119 ; scwrl3 -i /var/tmp/to_scwrl_839054470.pdb -s /var/tmp/to_scwrl_839054470.seq -o /var/tmp/from_scwrl_839054470.pdb > /var/tmp/scwrl_839054470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_839054470.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 35 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_264258949.pdb -s /var/tmp/to_scwrl_264258949.seq -o /var/tmp/from_scwrl_264258949.pdb > /var/tmp/scwrl_264258949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_264258949.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_655196422.pdb -s /var/tmp/to_scwrl_655196422.seq -o /var/tmp/from_scwrl_655196422.pdb > /var/tmp/scwrl_655196422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_655196422.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 96 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1899336919.pdb -s /var/tmp/to_scwrl_1899336919.seq -o /var/tmp/from_scwrl_1899336919.pdb > /var/tmp/scwrl_1899336919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1899336919.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1283173824.pdb -s /var/tmp/to_scwrl_1283173824.seq -o /var/tmp/from_scwrl_1283173824.pdb > /var/tmp/scwrl_1283173824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283173824.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_623667441.pdb -s /var/tmp/to_scwrl_623667441.seq -o /var/tmp/from_scwrl_623667441.pdb > /var/tmp/scwrl_623667441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_623667441.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 119 ; scwrl3 -i /var/tmp/to_scwrl_977181442.pdb -s /var/tmp/to_scwrl_977181442.seq -o /var/tmp/from_scwrl_977181442.pdb > /var/tmp/scwrl_977181442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_977181442.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 119 ; scwrl3 -i /var/tmp/to_scwrl_725817912.pdb -s /var/tmp/to_scwrl_725817912.seq -o /var/tmp/from_scwrl_725817912.pdb > /var/tmp/scwrl_725817912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_725817912.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 119 ; scwrl3 -i /var/tmp/to_scwrl_227508424.pdb -s /var/tmp/to_scwrl_227508424.seq -o /var/tmp/from_scwrl_227508424.pdb > /var/tmp/scwrl_227508424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227508424.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 119 ; scwrl3 -i /var/tmp/to_scwrl_2035702337.pdb -s /var/tmp/to_scwrl_2035702337.seq -o /var/tmp/from_scwrl_2035702337.pdb > /var/tmp/scwrl_2035702337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035702337.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1703845884.pdb -s /var/tmp/to_scwrl_1703845884.seq -o /var/tmp/from_scwrl_1703845884.pdb > /var/tmp/scwrl_1703845884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1703845884.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 55 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2072720760.pdb -s /var/tmp/to_scwrl_2072720760.seq -o /var/tmp/from_scwrl_2072720760.pdb > /var/tmp/scwrl_2072720760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072720760.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 119 ; scwrl3 -i /var/tmp/to_scwrl_364847903.pdb -s /var/tmp/to_scwrl_364847903.seq -o /var/tmp/from_scwrl_364847903.pdb > /var/tmp/scwrl_364847903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364847903.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 119 ; scwrl3 -i /var/tmp/to_scwrl_623998853.pdb -s /var/tmp/to_scwrl_623998853.seq -o /var/tmp/from_scwrl_623998853.pdb > /var/tmp/scwrl_623998853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_623998853.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 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1648891873.pdb -s /var/tmp/to_scwrl_1648891873.seq -o /var/tmp/from_scwrl_1648891873.pdb > /var/tmp/scwrl_1648891873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1648891873.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_712338725.pdb -s /var/tmp/to_scwrl_712338725.seq -o /var/tmp/from_scwrl_712338725.pdb > /var/tmp/scwrl_712338725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712338725.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1720424270.pdb -s /var/tmp/to_scwrl_1720424270.seq -o /var/tmp/from_scwrl_1720424270.pdb > /var/tmp/scwrl_1720424270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720424270.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_91474327.pdb -s /var/tmp/to_scwrl_91474327.seq -o /var/tmp/from_scwrl_91474327.pdb > /var/tmp/scwrl_91474327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91474327.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_882558704.pdb -s /var/tmp/to_scwrl_882558704.seq -o /var/tmp/from_scwrl_882558704.pdb > /var/tmp/scwrl_882558704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_882558704.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2146044386.pdb -s /var/tmp/to_scwrl_2146044386.seq -o /var/tmp/from_scwrl_2146044386.pdb > /var/tmp/scwrl_2146044386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146044386.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_567608117.pdb -s /var/tmp/to_scwrl_567608117.seq -o /var/tmp/from_scwrl_567608117.pdb > /var/tmp/scwrl_567608117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_567608117.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1735643191.pdb -s /var/tmp/to_scwrl_1735643191.seq -o /var/tmp/from_scwrl_1735643191.pdb > /var/tmp/scwrl_1735643191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1735643191.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 T0302 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 119 ; scwrl3 -i /var/tmp/to_scwrl_1287800326.pdb -s /var/tmp/to_scwrl_1287800326.seq -o /var/tmp/from_scwrl_1287800326.pdb > /var/tmp/scwrl_1287800326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287800326.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 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1974566689.pdb -s /var/tmp/to_scwrl_1974566689.seq -o /var/tmp/from_scwrl_1974566689.pdb > /var/tmp/scwrl_1974566689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1974566689.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 T0302 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 119 ; scwrl3 -i /var/tmp/to_scwrl_1410343271.pdb -s /var/tmp/to_scwrl_1410343271.seq -o /var/tmp/from_scwrl_1410343271.pdb > /var/tmp/scwrl_1410343271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410343271.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 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1143911733.pdb -s /var/tmp/to_scwrl_1143911733.seq -o /var/tmp/from_scwrl_1143911733.pdb > /var/tmp/scwrl_1143911733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1143911733.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_877917744.pdb -s /var/tmp/to_scwrl_877917744.seq -o /var/tmp/from_scwrl_877917744.pdb > /var/tmp/scwrl_877917744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_877917744.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2081031453.pdb -s /var/tmp/to_scwrl_2081031453.seq -o /var/tmp/from_scwrl_2081031453.pdb > /var/tmp/scwrl_2081031453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081031453.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_694481772.pdb -s /var/tmp/to_scwrl_694481772.seq -o /var/tmp/from_scwrl_694481772.pdb > /var/tmp/scwrl_694481772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694481772.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 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1382736426.pdb -s /var/tmp/to_scwrl_1382736426.seq -o /var/tmp/from_scwrl_1382736426.pdb > /var/tmp/scwrl_1382736426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382736426.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2146447666.pdb -s /var/tmp/to_scwrl_2146447666.seq -o /var/tmp/from_scwrl_2146447666.pdb > /var/tmp/scwrl_2146447666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146447666.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1533536242.pdb -s /var/tmp/to_scwrl_1533536242.seq -o /var/tmp/from_scwrl_1533536242.pdb > /var/tmp/scwrl_1533536242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1533536242.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1646995375.pdb -s /var/tmp/to_scwrl_1646995375.seq -o /var/tmp/from_scwrl_1646995375.pdb > /var/tmp/scwrl_1646995375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1646995375.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 100 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_654160441.pdb -s /var/tmp/to_scwrl_654160441.seq -o /var/tmp/from_scwrl_654160441.pdb > /var/tmp/scwrl_654160441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654160441.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1285389514.pdb -s /var/tmp/to_scwrl_1285389514.seq -o /var/tmp/from_scwrl_1285389514.pdb > /var/tmp/scwrl_1285389514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1285389514.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 119 ; scwrl3 -i /var/tmp/to_scwrl_782685553.pdb -s /var/tmp/to_scwrl_782685553.seq -o /var/tmp/from_scwrl_782685553.pdb > /var/tmp/scwrl_782685553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_782685553.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1277827881.pdb -s /var/tmp/to_scwrl_1277827881.seq -o /var/tmp/from_scwrl_1277827881.pdb > /var/tmp/scwrl_1277827881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1277827881.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_115087309.pdb -s /var/tmp/to_scwrl_115087309.seq -o /var/tmp/from_scwrl_115087309.pdb > /var/tmp/scwrl_115087309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115087309.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 # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1508503464.pdb -s /var/tmp/to_scwrl_1508503464.seq -o /var/tmp/from_scwrl_1508503464.pdb > /var/tmp/scwrl_1508503464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1508503464.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1505336305.pdb -s /var/tmp/to_scwrl_1505336305.seq -o /var/tmp/from_scwrl_1505336305.pdb > /var/tmp/scwrl_1505336305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1505336305.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 # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_3306000.pdb -s /var/tmp/to_scwrl_3306000.seq -o /var/tmp/from_scwrl_3306000.pdb > /var/tmp/scwrl_3306000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3306000.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 98 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1064865703.pdb -s /var/tmp/to_scwrl_1064865703.seq -o /var/tmp/from_scwrl_1064865703.pdb > /var/tmp/scwrl_1064865703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1064865703.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1430573418.pdb -s /var/tmp/to_scwrl_1430573418.seq -o /var/tmp/from_scwrl_1430573418.pdb > /var/tmp/scwrl_1430573418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430573418.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 76 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_368153903.pdb -s /var/tmp/to_scwrl_368153903.seq -o /var/tmp/from_scwrl_368153903.pdb > /var/tmp/scwrl_368153903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_368153903.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1688864555.pdb -s /var/tmp/to_scwrl_1688864555.seq -o /var/tmp/from_scwrl_1688864555.pdb > /var/tmp/scwrl_1688864555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1688864555.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 98 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_931981645.pdb -s /var/tmp/to_scwrl_931981645.seq -o /var/tmp/from_scwrl_931981645.pdb > /var/tmp/scwrl_931981645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_931981645.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1080492627.pdb -s /var/tmp/to_scwrl_1080492627.seq -o /var/tmp/from_scwrl_1080492627.pdb > /var/tmp/scwrl_1080492627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1080492627.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1261805178.pdb -s /var/tmp/to_scwrl_1261805178.seq -o /var/tmp/from_scwrl_1261805178.pdb > /var/tmp/scwrl_1261805178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261805178.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1023455972.pdb -s /var/tmp/to_scwrl_1023455972.seq -o /var/tmp/from_scwrl_1023455972.pdb > /var/tmp/scwrl_1023455972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023455972.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1963051331.pdb -s /var/tmp/to_scwrl_1963051331.seq -o /var/tmp/from_scwrl_1963051331.pdb > /var/tmp/scwrl_1963051331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1963051331.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 119 ; scwrl3 -i /var/tmp/to_scwrl_1260365918.pdb -s /var/tmp/to_scwrl_1260365918.seq -o /var/tmp/from_scwrl_1260365918.pdb > /var/tmp/scwrl_1260365918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260365918.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 # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1591064088.pdb -s /var/tmp/to_scwrl_1591064088.seq -o /var/tmp/from_scwrl_1591064088.pdb > /var/tmp/scwrl_1591064088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1591064088.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1551210876.pdb -s /var/tmp/to_scwrl_1551210876.seq -o /var/tmp/from_scwrl_1551210876.pdb > /var/tmp/scwrl_1551210876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1551210876.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_400682598.pdb -s /var/tmp/to_scwrl_400682598.seq -o /var/tmp/from_scwrl_400682598.pdb > /var/tmp/scwrl_400682598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400682598.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1418147130.pdb -s /var/tmp/to_scwrl_1418147130.seq -o /var/tmp/from_scwrl_1418147130.pdb > /var/tmp/scwrl_1418147130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1418147130.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_814070501.pdb -s /var/tmp/to_scwrl_814070501.seq -o /var/tmp/from_scwrl_814070501.pdb > /var/tmp/scwrl_814070501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814070501.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 T0302 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1544594332.pdb -s /var/tmp/to_scwrl_1544594332.seq -o /var/tmp/from_scwrl_1544594332.pdb > /var/tmp/scwrl_1544594332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544594332.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_148581228.pdb -s /var/tmp/to_scwrl_148581228.seq -o /var/tmp/from_scwrl_148581228.pdb > /var/tmp/scwrl_148581228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_148581228.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 Skipped atom 197, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 271, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_747618308.pdb -s /var/tmp/to_scwrl_747618308.seq -o /var/tmp/from_scwrl_747618308.pdb > /var/tmp/scwrl_747618308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_747618308.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_91592457.pdb -s /var/tmp/to_scwrl_91592457.seq -o /var/tmp/from_scwrl_91592457.pdb > /var/tmp/scwrl_91592457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91592457.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1531317654.pdb -s /var/tmp/to_scwrl_1531317654.seq -o /var/tmp/from_scwrl_1531317654.pdb > /var/tmp/scwrl_1531317654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1531317654.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_746582327.pdb -s /var/tmp/to_scwrl_746582327.seq -o /var/tmp/from_scwrl_746582327.pdb > /var/tmp/scwrl_746582327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746582327.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 Skipped atom 197, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 271, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1625128699.pdb -s /var/tmp/to_scwrl_1625128699.seq -o /var/tmp/from_scwrl_1625128699.pdb > /var/tmp/scwrl_1625128699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1625128699.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1030829383.pdb -s /var/tmp/to_scwrl_1030829383.seq -o /var/tmp/from_scwrl_1030829383.pdb > /var/tmp/scwrl_1030829383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030829383.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1400742767.pdb -s /var/tmp/to_scwrl_1400742767.seq -o /var/tmp/from_scwrl_1400742767.pdb > /var/tmp/scwrl_1400742767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400742767.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_763034568.pdb -s /var/tmp/to_scwrl_763034568.seq -o /var/tmp/from_scwrl_763034568.pdb > /var/tmp/scwrl_763034568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_763034568.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1813514936.pdb -s /var/tmp/to_scwrl_1813514936.seq -o /var/tmp/from_scwrl_1813514936.pdb > /var/tmp/scwrl_1813514936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1813514936.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 T0302 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_531087002.pdb -s /var/tmp/to_scwrl_531087002.seq -o /var/tmp/from_scwrl_531087002.pdb > /var/tmp/scwrl_531087002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_531087002.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 T0302 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_878121877.pdb -s /var/tmp/to_scwrl_878121877.seq -o /var/tmp/from_scwrl_878121877.pdb > /var/tmp/scwrl_878121877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_878121877.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 T0302 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1174534753.pdb -s /var/tmp/to_scwrl_1174534753.seq -o /var/tmp/from_scwrl_1174534753.pdb > /var/tmp/scwrl_1174534753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174534753.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2036423307.pdb -s /var/tmp/to_scwrl_2036423307.seq -o /var/tmp/from_scwrl_2036423307.pdb > /var/tmp/scwrl_2036423307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2036423307.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 100 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_881427877.pdb -s /var/tmp/to_scwrl_881427877.seq -o /var/tmp/from_scwrl_881427877.pdb > /var/tmp/scwrl_881427877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_881427877.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 75 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_91916809.pdb -s /var/tmp/to_scwrl_91916809.seq -o /var/tmp/from_scwrl_91916809.pdb > /var/tmp/scwrl_91916809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91916809.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 129 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1319513078.pdb -s /var/tmp/to_scwrl_1319513078.seq -o /var/tmp/from_scwrl_1319513078.pdb > /var/tmp/scwrl_1319513078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319513078.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1249581780.pdb -s /var/tmp/to_scwrl_1249581780.seq -o /var/tmp/from_scwrl_1249581780.pdb > /var/tmp/scwrl_1249581780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249581780.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1780781365.pdb -s /var/tmp/to_scwrl_1780781365.seq -o /var/tmp/from_scwrl_1780781365.pdb > /var/tmp/scwrl_1780781365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1780781365.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_104011076.pdb -s /var/tmp/to_scwrl_104011076.seq -o /var/tmp/from_scwrl_104011076.pdb > /var/tmp/scwrl_104011076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104011076.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_182590761.pdb -s /var/tmp/to_scwrl_182590761.seq -o /var/tmp/from_scwrl_182590761.pdb > /var/tmp/scwrl_182590761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_182590761.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 129 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_895102897.pdb -s /var/tmp/to_scwrl_895102897.seq -o /var/tmp/from_scwrl_895102897.pdb > /var/tmp/scwrl_895102897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_895102897.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1127467047.pdb -s /var/tmp/to_scwrl_1127467047.seq -o /var/tmp/from_scwrl_1127467047.pdb > /var/tmp/scwrl_1127467047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1127467047.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 76 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2145642093.pdb -s /var/tmp/to_scwrl_2145642093.seq -o /var/tmp/from_scwrl_2145642093.pdb > /var/tmp/scwrl_2145642093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2145642093.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 100 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_7985168.pdb -s /var/tmp/to_scwrl_7985168.seq -o /var/tmp/from_scwrl_7985168.pdb > /var/tmp/scwrl_7985168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_7985168.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 97 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_571047489.pdb -s /var/tmp/to_scwrl_571047489.seq -o /var/tmp/from_scwrl_571047489.pdb > /var/tmp/scwrl_571047489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_571047489.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 129 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1549369322.pdb -s /var/tmp/to_scwrl_1549369322.seq -o /var/tmp/from_scwrl_1549369322.pdb > /var/tmp/scwrl_1549369322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1549369322.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 76 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_408667767.pdb -s /var/tmp/to_scwrl_408667767.seq -o /var/tmp/from_scwrl_408667767.pdb > /var/tmp/scwrl_408667767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_408667767.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1989194619.pdb -s /var/tmp/to_scwrl_1989194619.seq -o /var/tmp/from_scwrl_1989194619.pdb > /var/tmp/scwrl_1989194619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1989194619.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_215956176.pdb -s /var/tmp/to_scwrl_215956176.seq -o /var/tmp/from_scwrl_215956176.pdb > /var/tmp/scwrl_215956176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215956176.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1953262099.pdb -s /var/tmp/to_scwrl_1953262099.seq -o /var/tmp/from_scwrl_1953262099.pdb > /var/tmp/scwrl_1953262099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1953262099.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2137775847.pdb -s /var/tmp/to_scwrl_2137775847.seq -o /var/tmp/from_scwrl_2137775847.pdb > /var/tmp/scwrl_2137775847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2137775847.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 T0302 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_963574484.pdb -s /var/tmp/to_scwrl_963574484.seq -o /var/tmp/from_scwrl_963574484.pdb > /var/tmp/scwrl_963574484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_963574484.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 T0302 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2044854556.pdb -s /var/tmp/to_scwrl_2044854556.seq -o /var/tmp/from_scwrl_2044854556.pdb > /var/tmp/scwrl_2044854556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2044854556.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1521609854.pdb -s /var/tmp/to_scwrl_1521609854.seq -o /var/tmp/from_scwrl_1521609854.pdb > /var/tmp/scwrl_1521609854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521609854.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1710156810.pdb -s /var/tmp/to_scwrl_1710156810.seq -o /var/tmp/from_scwrl_1710156810.pdb > /var/tmp/scwrl_1710156810.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1710156810.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 Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 283, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1522499609.pdb -s /var/tmp/to_scwrl_1522499609.seq -o /var/tmp/from_scwrl_1522499609.pdb > /var/tmp/scwrl_1522499609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1522499609.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_404955591.pdb -s /var/tmp/to_scwrl_404955591.seq -o /var/tmp/from_scwrl_404955591.pdb > /var/tmp/scwrl_404955591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404955591.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 T0302 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_963415931.pdb -s /var/tmp/to_scwrl_963415931.seq -o /var/tmp/from_scwrl_963415931.pdb > /var/tmp/scwrl_963415931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_963415931.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 T0302 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_138050530.pdb -s /var/tmp/to_scwrl_138050530.seq -o /var/tmp/from_scwrl_138050530.pdb > /var/tmp/scwrl_138050530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_138050530.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 # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_70986880.pdb -s /var/tmp/to_scwrl_70986880.seq -o /var/tmp/from_scwrl_70986880.pdb > /var/tmp/scwrl_70986880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_70986880.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 # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1494502932.pdb -s /var/tmp/to_scwrl_1494502932.seq -o /var/tmp/from_scwrl_1494502932.pdb > /var/tmp/scwrl_1494502932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1494502932.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1016172407.pdb -s /var/tmp/to_scwrl_1016172407.seq -o /var/tmp/from_scwrl_1016172407.pdb > /var/tmp/scwrl_1016172407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016172407.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1245521633.pdb -s /var/tmp/to_scwrl_1245521633.seq -o /var/tmp/from_scwrl_1245521633.pdb > /var/tmp/scwrl_1245521633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245521633.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 2 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1383442592.pdb -s /var/tmp/to_scwrl_1383442592.seq -o /var/tmp/from_scwrl_1383442592.pdb > /var/tmp/scwrl_1383442592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1383442592.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 131 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1897600284.pdb -s /var/tmp/to_scwrl_1897600284.seq -o /var/tmp/from_scwrl_1897600284.pdb > /var/tmp/scwrl_1897600284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897600284.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 T0302 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1337438443.pdb -s /var/tmp/to_scwrl_1337438443.seq -o /var/tmp/from_scwrl_1337438443.pdb > /var/tmp/scwrl_1337438443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1337438443.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 T0302 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_555472024.pdb -s /var/tmp/to_scwrl_555472024.seq -o /var/tmp/from_scwrl_555472024.pdb > /var/tmp/scwrl_555472024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_555472024.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 Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 274, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 276, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_999698418.pdb -s /var/tmp/to_scwrl_999698418.seq -o /var/tmp/from_scwrl_999698418.pdb > /var/tmp/scwrl_999698418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_999698418.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 T0302 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_970736162.pdb -s /var/tmp/to_scwrl_970736162.seq -o /var/tmp/from_scwrl_970736162.pdb > /var/tmp/scwrl_970736162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_970736162.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 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 119 ; scwrl3 -i /var/tmp/to_scwrl_659483100.pdb -s /var/tmp/to_scwrl_659483100.seq -o /var/tmp/from_scwrl_659483100.pdb > /var/tmp/scwrl_659483100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_659483100.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 T0302 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1182289178.pdb -s /var/tmp/to_scwrl_1182289178.seq -o /var/tmp/from_scwrl_1182289178.pdb > /var/tmp/scwrl_1182289178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1182289178.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1865839058.pdb -s /var/tmp/to_scwrl_1865839058.seq -o /var/tmp/from_scwrl_1865839058.pdb > /var/tmp/scwrl_1865839058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865839058.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 283, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1786950147.pdb -s /var/tmp/to_scwrl_1786950147.seq -o /var/tmp/from_scwrl_1786950147.pdb > /var/tmp/scwrl_1786950147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1786950147.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1180447624.pdb -s /var/tmp/to_scwrl_1180447624.seq -o /var/tmp/from_scwrl_1180447624.pdb > /var/tmp/scwrl_1180447624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180447624.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1873824227.pdb -s /var/tmp/to_scwrl_1873824227.seq -o /var/tmp/from_scwrl_1873824227.pdb > /var/tmp/scwrl_1873824227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873824227.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_210513989.pdb -s /var/tmp/to_scwrl_210513989.seq -o /var/tmp/from_scwrl_210513989.pdb > /var/tmp/scwrl_210513989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_210513989.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_582333300.pdb -s /var/tmp/to_scwrl_582333300.seq -o /var/tmp/from_scwrl_582333300.pdb > /var/tmp/scwrl_582333300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_582333300.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 57 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_135008347.pdb -s /var/tmp/to_scwrl_135008347.seq -o /var/tmp/from_scwrl_135008347.pdb > /var/tmp/scwrl_135008347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_135008347.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 # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_52224962.pdb -s /var/tmp/to_scwrl_52224962.seq -o /var/tmp/from_scwrl_52224962.pdb > /var/tmp/scwrl_52224962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_52224962.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 119 ; scwrl3 -i /var/tmp/to_scwrl_798289477.pdb -s /var/tmp/to_scwrl_798289477.seq -o /var/tmp/from_scwrl_798289477.pdb > /var/tmp/scwrl_798289477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_798289477.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 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2088270446.pdb -s /var/tmp/to_scwrl_2088270446.seq -o /var/tmp/from_scwrl_2088270446.pdb > /var/tmp/scwrl_2088270446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2088270446.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_42517162.pdb -s /var/tmp/to_scwrl_42517162.seq -o /var/tmp/from_scwrl_42517162.pdb > /var/tmp/scwrl_42517162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_42517162.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: (T0302)T73.O and (T0302)D74.N only 0.000 apart, marking (T0302)D74.N as missing # WARNING: incomplete conformation T0302 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 119 ; scwrl3 -i /var/tmp/to_scwrl_1761863960.pdb -s /var/tmp/to_scwrl_1761863960.seq -o /var/tmp/from_scwrl_1761863960.pdb > /var/tmp/scwrl_1761863960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761863960.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: (T0302)L111.O and (T0302)M112.N only 0.000 apart, marking (T0302)M112.N as missing # WARNING: incomplete conformation T0302 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 119 ; scwrl3 -i /var/tmp/to_scwrl_1985641355.pdb -s /var/tmp/to_scwrl_1985641355.seq -o /var/tmp/from_scwrl_1985641355.pdb > /var/tmp/scwrl_1985641355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1985641355.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 129 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1564127017.pdb -s /var/tmp/to_scwrl_1564127017.seq -o /var/tmp/from_scwrl_1564127017.pdb > /var/tmp/scwrl_1564127017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1564127017.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 129 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1324537124.pdb -s /var/tmp/to_scwrl_1324537124.seq -o /var/tmp/from_scwrl_1324537124.pdb > /var/tmp/scwrl_1324537124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1324537124.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 T0302 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1360657317.pdb -s /var/tmp/to_scwrl_1360657317.seq -o /var/tmp/from_scwrl_1360657317.pdb > /var/tmp/scwrl_1360657317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360657317.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1969082608.pdb -s /var/tmp/to_scwrl_1969082608.seq -o /var/tmp/from_scwrl_1969082608.pdb > /var/tmp/scwrl_1969082608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1969082608.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 T0302 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_140469408.pdb -s /var/tmp/to_scwrl_140469408.seq -o /var/tmp/from_scwrl_140469408.pdb > /var/tmp/scwrl_140469408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140469408.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1498707847.pdb -s /var/tmp/to_scwrl_1498707847.seq -o /var/tmp/from_scwrl_1498707847.pdb > /var/tmp/scwrl_1498707847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1498707847.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 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2040069488.pdb -s /var/tmp/to_scwrl_2040069488.seq -o /var/tmp/from_scwrl_2040069488.pdb > /var/tmp/scwrl_2040069488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040069488.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 63 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1634972341.pdb -s /var/tmp/to_scwrl_1634972341.seq -o /var/tmp/from_scwrl_1634972341.pdb > /var/tmp/scwrl_1634972341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1634972341.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 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_367396608.pdb -s /var/tmp/to_scwrl_367396608.seq -o /var/tmp/from_scwrl_367396608.pdb > /var/tmp/scwrl_367396608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_367396608.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1138107474.pdb -s /var/tmp/to_scwrl_1138107474.seq -o /var/tmp/from_scwrl_1138107474.pdb > /var/tmp/scwrl_1138107474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1138107474.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_870931287.pdb -s /var/tmp/to_scwrl_870931287.seq -o /var/tmp/from_scwrl_870931287.pdb > /var/tmp/scwrl_870931287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_870931287.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_117513245.pdb -s /var/tmp/to_scwrl_117513245.seq -o /var/tmp/from_scwrl_117513245.pdb > /var/tmp/scwrl_117513245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_117513245.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 T0302 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_328062271.pdb -s /var/tmp/to_scwrl_328062271.seq -o /var/tmp/from_scwrl_328062271.pdb > /var/tmp/scwrl_328062271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_328062271.pdb # conformation set from SCWRL output # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1426403311.pdb -s /var/tmp/to_scwrl_1426403311.seq -o /var/tmp/from_scwrl_1426403311.pdb > /var/tmp/scwrl_1426403311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1426403311.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1117211662.pdb -s /var/tmp/to_scwrl_1117211662.seq -o /var/tmp/from_scwrl_1117211662.pdb > /var/tmp/scwrl_1117211662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1117211662.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1298798432.pdb -s /var/tmp/to_scwrl_1298798432.seq -o /var/tmp/from_scwrl_1298798432.pdb > /var/tmp/scwrl_1298798432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1298798432.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_2085886411.pdb -s /var/tmp/to_scwrl_2085886411.seq -o /var/tmp/from_scwrl_2085886411.pdb > /var/tmp/scwrl_2085886411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2085886411.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_152017194.pdb -s /var/tmp/to_scwrl_152017194.seq -o /var/tmp/from_scwrl_152017194.pdb > /var/tmp/scwrl_152017194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_152017194.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 T0302 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1017153845.pdb -s /var/tmp/to_scwrl_1017153845.seq -o /var/tmp/from_scwrl_1017153845.pdb > /var/tmp/scwrl_1017153845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017153845.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl3 -i /var/tmp/to_scwrl_1725352912.pdb -s /var/tmp/to_scwrl_1725352912.seq -o /var/tmp/from_scwrl_1725352912.pdb > /var/tmp/scwrl_1725352912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725352912.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 31.047 sec, elapsed time= 300.992 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 27.665 real_cost = -181.958 shub_TS1 costs 27.665 real_cost = -172.625 panther2_TS1-scwrl costs 36.183 real_cost = -144.596 panther2_TS1 costs 36.200 real_cost = -144.230 nFOLD_TS5-scwrl costs 45.074 real_cost = 223.907 nFOLD_TS5 costs 45.135 real_cost = 278.669 nFOLD_TS4-scwrl costs 49.532 real_cost = 216.187 nFOLD_TS4 costs 49.532 real_cost = 288.049 nFOLD_TS3-scwrl costs 43.155 real_cost = -13.982 nFOLD_TS3 costs 43.210 real_cost = 31.598 nFOLD_TS2-scwrl costs 43.234 real_cost = -45.120 nFOLD_TS2 costs 43.234 real_cost = -47.867 nFOLD_TS1-scwrl costs 28.504 real_cost = -203.982 nFOLD_TS1 costs 28.484 real_cost = -151.656 mGen-3D_TS1-scwrl costs 28.504 real_cost = -203.982 mGen-3D_TS1 costs 28.484 real_cost = -151.656 keasar-server_TS5-scwrl costs 27.349 real_cost = -149.276 keasar-server_TS5 costs 27.349 real_cost = -132.691 keasar-server_TS4-scwrl costs 48.265 real_cost = -171.968 keasar-server_TS4 costs 48.265 real_cost = -173.867 keasar-server_TS3-scwrl costs 27.449 real_cost = -147.966 keasar-server_TS3 costs 27.449 real_cost = -139.032 keasar-server_TS2-scwrl costs 33.414 real_cost = -164.133 keasar-server_TS2 costs 33.414 real_cost = -159.169 keasar-server_TS1-scwrl costs 48.485 real_cost = -152.418 keasar-server_TS1 costs 48.485 real_cost = -152.331 karypis.srv_TS5-scwrl costs 31.010 real_cost = -124.183 karypis.srv_TS5 costs 31.010 real_cost = -124.433 karypis.srv_TS4-scwrl costs 41.909 real_cost = -51.740 karypis.srv_TS4 costs 41.909 real_cost = -51.743 karypis.srv_TS3-scwrl costs 41.121 real_cost = -146.096 karypis.srv_TS3 costs 41.128 real_cost = -154.367 karypis.srv_TS2-scwrl costs 28.452 real_cost = -201.235 karypis.srv_TS2 costs 28.446 real_cost = -213.983 karypis.srv_TS1-scwrl costs 32.959 real_cost = -144.351 karypis.srv_TS1 costs 32.939 real_cost = -150.693 karypis.srv.4_TS5-scwrl costs 151.380 real_cost = 229.134 karypis.srv.4_TS5 costs 151.380 real_cost = 229.455 karypis.srv.4_TS4-scwrl costs 117.329 real_cost = 250.093 karypis.srv.4_TS4 costs 117.329 real_cost = 250.093 karypis.srv.4_TS3-scwrl costs 136.544 real_cost = 303.913 karypis.srv.4_TS3 costs 136.544 real_cost = 303.916 karypis.srv.4_TS2-scwrl costs 127.145 real_cost = 311.997 karypis.srv.4_TS2 costs 127.145 real_cost = 312.000 karypis.srv.4_TS1-scwrl costs 118.878 real_cost = 197.941 karypis.srv.4_TS1 costs 118.878 real_cost = 197.941 karypis.srv.2_TS5-scwrl costs 26.188 real_cost = -219.326 karypis.srv.2_TS5 costs 26.188 real_cost = -219.326 karypis.srv.2_TS4-scwrl costs 24.378 real_cost = -220.556 karypis.srv.2_TS4 costs 24.378 real_cost = -220.540 karypis.srv.2_TS3-scwrl costs 24.821 real_cost = -147.181 karypis.srv.2_TS3 costs 24.821 real_cost = -147.181 karypis.srv.2_TS2-scwrl costs 24.991 real_cost = -209.273 karypis.srv.2_TS2 costs 24.991 real_cost = -209.273 karypis.srv.2_TS1-scwrl costs 24.392 real_cost = -146.257 karypis.srv.2_TS1 costs 24.392 real_cost = -146.257 gtg_AL5-scwrl costs 30.020 real_cost = -131.759 gtg_AL5 costs 30.004 real_cost = -57.918 gtg_AL4-scwrl costs 33.535 real_cost = 69.467 gtg_AL4 costs 33.535 real_cost = 177.072 gtg_AL3-scwrl costs 29.068 real_cost = -208.757 gtg_AL3 costs 29.068 real_cost = -119.681 gtg_AL2-scwrl costs 27.396 real_cost = -199.957 gtg_AL2 costs 27.396 real_cost = -102.291 gtg_AL1-scwrl costs 27.522 real_cost = -188.764 gtg_AL1 costs 27.522 real_cost = -92.733 forecast-s_AL5-scwrl costs 64.140 real_cost = 94.895 forecast-s_AL5 costs 64.077 real_cost = 137.526 forecast-s_AL4-scwrl costs 43.715 real_cost = 25.379 forecast-s_AL4 costs 43.715 real_cost = 14.799 forecast-s_AL3-scwrl costs 48.479 real_cost = -99.426 forecast-s_AL3 costs 48.544 real_cost = -58.201 forecast-s_AL2-scwrl costs 46.787 real_cost = -122.479 forecast-s_AL2 costs 46.772 real_cost = -45.979 forecast-s_AL1-scwrl costs 28.504 real_cost = -203.982 forecast-s_AL1 costs 28.484 real_cost = -127.692 beautshotbase_TS1-scwrl costs 31.506 real_cost = -183.514 beautshotbase_TS1 costs 31.500 real_cost = -190.660 beautshot_TS1-scwrl costs 28.275 real_cost = -192.504 beautshot_TS1 costs 28.275 real_cost = -186.149 Zhang-Server_TS5-scwrl costs 26.526 real_cost = -223.222 Zhang-Server_TS5 costs 26.526 real_cost = -225.533 Zhang-Server_TS4-scwrl costs 21.703 real_cost = -225.151 Zhang-Server_TS4 costs 21.703 real_cost = -226.532 Zhang-Server_TS3-scwrl costs 22.894 real_cost = -229.582 Zhang-Server_TS3 costs 22.894 real_cost = -231.522 Zhang-Server_TS2-scwrl costs 24.216 real_cost = -228.430 Zhang-Server_TS2 costs 24.216 real_cost = -232.043 Zhang-Server_TS1-scwrl costs 22.265 real_cost = -230.203 Zhang-Server_TS1 costs 22.265 real_cost = -229.117 UNI-EID_sfst_AL5-scwrl costs 41.123 real_cost = -122.130 UNI-EID_sfst_AL5 costs 41.117 real_cost = -37.648 UNI-EID_sfst_AL4-scwrl costs 28.504 real_cost = -203.982 UNI-EID_sfst_AL4 costs 28.484 real_cost = -127.692 UNI-EID_sfst_AL3-scwrl costs 28.869 real_cost = -76.842 UNI-EID_sfst_AL3 costs 28.869 real_cost = -98.182 UNI-EID_sfst_AL2-scwrl costs 29.172 real_cost = -200.905 UNI-EID_sfst_AL2 costs 29.172 real_cost = -106.266 UNI-EID_sfst_AL1-scwrl costs 27.029 real_cost = -188.851 UNI-EID_sfst_AL1 costs 27.029 real_cost = -96.174 UNI-EID_expm_TS1-scwrl costs 40.954 real_cost = -132.405 UNI-EID_expm_TS1 costs 40.954 real_cost = -142.452 UNI-EID_bnmx_TS5-scwrl costs 41.123 real_cost = -122.130 UNI-EID_bnmx_TS5 costs 41.117 real_cost = -37.648 UNI-EID_bnmx_TS4-scwrl costs 28.504 real_cost = -203.982 UNI-EID_bnmx_TS4 costs 28.484 real_cost = -127.692 UNI-EID_bnmx_TS3-scwrl costs 28.869 real_cost = -76.842 UNI-EID_bnmx_TS3 costs 28.869 real_cost = -98.182 UNI-EID_bnmx_TS2-scwrl costs 29.172 real_cost = -200.905 UNI-EID_bnmx_TS2 costs 29.172 real_cost = -106.266 UNI-EID_bnmx_TS1-scwrl costs 27.029 real_cost = -188.851 UNI-EID_bnmx_TS1 costs 27.029 real_cost = -96.174 SPARKS2_TS5-scwrl costs 43.146 real_cost = -78.972 SPARKS2_TS5 costs 43.146 real_cost = -83.541 SPARKS2_TS4-scwrl costs 27.737 real_cost = 66.180 SPARKS2_TS4 costs 27.737 real_cost = 62.060 SPARKS2_TS3-scwrl costs 36.682 real_cost = -151.454 SPARKS2_TS3 costs 36.682 real_cost = -153.653 SPARKS2_TS2-scwrl costs 22.862 real_cost = -199.841 SPARKS2_TS2 costs 22.862 real_cost = -201.795 SPARKS2_TS1-scwrl costs 22.765 real_cost = -220.845 SPARKS2_TS1 costs 22.765 real_cost = -228.680 SP4_TS5-scwrl costs 27.737 real_cost = 66.180 SP4_TS5 costs 27.737 real_cost = 62.060 SP4_TS4-scwrl costs 33.954 real_cost = -126.490 SP4_TS4 costs 33.954 real_cost = -125.901 SP4_TS3-scwrl costs 36.682 real_cost = -151.454 SP4_TS3 costs 36.682 real_cost = -153.653 SP4_TS2-scwrl costs 22.492 real_cost = -202.166 SP4_TS2 costs 22.492 real_cost = -202.291 SP4_TS1-scwrl costs 22.765 real_cost = -220.845 SP4_TS1 costs 22.765 real_cost = -228.680 SP3_TS5-scwrl costs 27.737 real_cost = 66.180 SP3_TS5 costs 27.737 real_cost = 62.060 SP3_TS4-scwrl costs 29.407 real_cost = -136.725 SP3_TS4 costs 29.407 real_cost = -134.041 SP3_TS3-scwrl costs 36.682 real_cost = -151.454 SP3_TS3 costs 36.682 real_cost = -153.653 SP3_TS2-scwrl costs 22.616 real_cost = -205.180 SP3_TS2 costs 22.616 real_cost = -197.360 SP3_TS1-scwrl costs 22.765 real_cost = -220.845 SP3_TS1 costs 22.765 real_cost = -228.680 SAM_T06_server_TS5-scwrl costs 36.905 real_cost = -149.337 SAM_T06_server_TS5 costs 36.905 real_cost = -150.138 SAM_T06_server_TS4-scwrl costs 40.309 real_cost = 108.564 SAM_T06_server_TS4 costs 40.288 real_cost = 89.571 SAM_T06_server_TS3-scwrl costs 31.407 real_cost = -173.731 SAM_T06_server_TS3 costs 31.380 real_cost = -192.183 SAM_T06_server_TS2-scwrl costs 29.267 real_cost = -193.885 SAM_T06_server_TS2 costs 29.263 real_cost = -200.049 SAM_T06_server_TS1-scwrl costs 35.185 real_cost = -196.422 SAM_T06_server_TS1 costs 35.185 real_cost = -199.404 SAM-T99_AL5-scwrl costs 26.938 real_cost = -211.786 SAM-T99_AL5 costs 26.938 real_cost = -117.531 SAM-T99_AL4-scwrl costs 27.626 real_cost = -208.265 SAM-T99_AL4 costs 27.626 real_cost = -114.371 SAM-T99_AL3-scwrl costs 26.681 real_cost = -137.468 SAM-T99_AL3 costs 26.681 real_cost = -46.580 SAM-T99_AL2-scwrl costs 28.004 real_cost = -180.443 SAM-T99_AL2 costs 27.989 real_cost = -100.375 SAM-T99_AL1-scwrl costs 27.383 real_cost = -187.018 SAM-T99_AL1 costs 27.383 real_cost = -95.413 SAM-T02_AL5-scwrl costs 30.148 real_cost = -20.551 SAM-T02_AL5 costs 30.148 real_cost = -41.892 SAM-T02_AL4-scwrl costs 26.789 real_cost = -73.649 SAM-T02_AL4 costs 26.789 real_cost = -84.087 SAM-T02_AL3-scwrl costs 26.973 real_cost = -189.272 SAM-T02_AL3 costs 26.945 real_cost = -105.412 SAM-T02_AL2-scwrl costs 34.011 real_cost = 68.440 SAM-T02_AL2 costs 34.011 real_cost = 175.476 SAM-T02_AL1-scwrl costs 31.400 real_cost = -188.205 SAM-T02_AL1 costs 31.487 real_cost = -103.994 ROKKY_TS5-scwrl costs 28.885 real_cost = -218.391 ROKKY_TS5 costs 28.885 real_cost = -217.254 ROKKY_TS4-scwrl costs 24.605 real_cost = -173.108 ROKKY_TS4 costs 24.605 real_cost = -173.863 ROKKY_TS3-scwrl costs 27.934 real_cost = -122.550 ROKKY_TS3 costs 27.934 real_cost = -117.374 ROKKY_TS2-scwrl costs 38.788 real_cost = -118.690 ROKKY_TS2 costs 38.788 real_cost = -114.077 ROKKY_TS1-scwrl costs 23.883 real_cost = -199.730 ROKKY_TS1 costs 23.883 real_cost = -194.633 ROBETTA_TS5-scwrl costs 25.784 real_cost = -140.456 ROBETTA_TS5 costs 25.784 real_cost = -135.289 ROBETTA_TS4-scwrl costs 25.015 real_cost = -207.276 ROBETTA_TS4 costs 25.015 real_cost = -210.278 ROBETTA_TS3-scwrl costs 25.499 real_cost = -208.990 ROBETTA_TS3 costs 25.499 real_cost = -212.176 ROBETTA_TS2-scwrl costs 26.209 real_cost = -193.488 ROBETTA_TS2 costs 26.209 real_cost = -194.402 ROBETTA_TS1-scwrl costs 26.020 real_cost = -208.151 ROBETTA_TS1 costs 26.020 real_cost = -209.822 RAPTOR_TS5-scwrl costs 23.203 real_cost = -220.777 RAPTOR_TS5 costs 23.203 real_cost = -224.120 RAPTOR_TS4-scwrl costs 23.291 real_cost = -191.153 RAPTOR_TS4 costs 23.291 real_cost = -192.310 RAPTOR_TS3-scwrl costs 23.649 real_cost = -212.814 RAPTOR_TS3 costs 23.649 real_cost = -213.128 RAPTOR_TS2-scwrl costs 27.434 real_cost = -206.519 RAPTOR_TS2 costs 27.434 real_cost = -210.747 RAPTOR_TS1-scwrl costs 26.198 real_cost = -185.285 RAPTOR_TS1 costs 26.198 real_cost = -180.723 RAPTORESS_TS5-scwrl costs 29.018 real_cost = -212.331 RAPTORESS_TS5 costs 29.018 real_cost = -214.933 RAPTORESS_TS4-scwrl costs 28.059 real_cost = -186.263 RAPTORESS_TS4 costs 28.059 real_cost = -186.533 RAPTORESS_TS3-scwrl costs 29.290 real_cost = -202.046 RAPTORESS_TS3 costs 29.290 real_cost = -208.846 RAPTORESS_TS2-scwrl costs 29.309 real_cost = -208.681 RAPTORESS_TS2 costs 29.309 real_cost = -212.258 RAPTORESS_TS1-scwrl costs 27.035 real_cost = -194.491 RAPTORESS_TS1 costs 27.035 real_cost = -190.734 RAPTOR-ACE_TS5-scwrl costs 24.304 real_cost = -225.216 RAPTOR-ACE_TS5 costs 24.304 real_cost = -232.104 RAPTOR-ACE_TS4-scwrl costs 22.951 real_cost = -220.834 RAPTOR-ACE_TS4 costs 22.951 real_cost = -227.302 RAPTOR-ACE_TS3-scwrl costs 22.765 real_cost = -220.845 RAPTOR-ACE_TS3 costs 22.765 real_cost = -228.680 RAPTOR-ACE_TS2-scwrl costs 38.278 real_cost = -131.728 RAPTOR-ACE_TS2 costs 38.278 real_cost = -134.056 RAPTOR-ACE_TS1-scwrl costs 22.951 real_cost = -220.834 RAPTOR-ACE_TS1 costs 22.951 real_cost = -227.302 Pmodeller6_TS5-scwrl costs 28.053 real_cost = -205.681 Pmodeller6_TS5 costs 28.046 real_cost = -215.971 Pmodeller6_TS4-scwrl costs 28.053 real_cost = -205.681 Pmodeller6_TS4 costs 28.046 real_cost = -215.971 Pmodeller6_TS3-scwrl costs 28.053 real_cost = -205.681 Pmodeller6_TS3 costs 28.046 real_cost = -215.971 Pmodeller6_TS2-scwrl costs 27.805 real_cost = -209.443 Pmodeller6_TS2 costs 27.805 real_cost = -209.394 Pmodeller6_TS1-scwrl costs 30.790 real_cost = -194.751 Pmodeller6_TS1 costs 30.744 real_cost = -205.438 Phyre-2_TS5-scwrl costs 26.166 real_cost = -209.449 Phyre-2_TS5 costs 26.166 real_cost = -208.483 Phyre-2_TS4-scwrl costs 27.985 real_cost = -215.005 Phyre-2_TS4 costs 27.985 real_cost = -212.677 Phyre-2_TS3-scwrl costs 26.166 real_cost = -209.449 Phyre-2_TS3 costs 26.166 real_cost = -208.483 Phyre-2_TS2-scwrl costs 29.733 real_cost = -214.394 Phyre-2_TS2 costs 29.733 real_cost = -212.054 Phyre-2_TS1-scwrl costs 30.509 real_cost = -214.220 Phyre-2_TS1 costs 30.509 real_cost = -211.881 Phyre-1_TS1-scwrl costs 27.383 real_cost = -187.018 Phyre-1_TS1 costs 27.383 real_cost = -187.036 Pcons6_TS5-scwrl costs 30.951 real_cost = -201.045 Pcons6_TS5 costs 30.898 real_cost = -207.958 Pcons6_TS4-scwrl costs 27.805 real_cost = -209.443 Pcons6_TS4 costs 27.805 real_cost = -209.394 Pcons6_TS3-scwrl costs 30.318 real_cost = -202.836 Pcons6_TS3 costs 30.312 real_cost = -211.499 Pcons6_TS2-scwrl costs 28.053 real_cost = -205.681 Pcons6_TS2 costs 28.046 real_cost = -215.971 Pcons6_TS1-scwrl costs 28.053 real_cost = -205.681 Pcons6_TS1 costs 28.046 real_cost = -215.971 PROTINFO_TS5-scwrl costs 32.351 real_cost = -224.168 PROTINFO_TS5 costs 32.351 real_cost = -222.577 PROTINFO_TS4-scwrl costs 27.480 real_cost = -201.432 PROTINFO_TS4 costs 27.480 real_cost = -199.930 PROTINFO_TS3-scwrl costs 33.311 real_cost = -222.212 PROTINFO_TS3 costs 33.311 real_cost = -222.732 PROTINFO_TS2-scwrl costs 26.108 real_cost = -191.797 PROTINFO_TS2 costs 26.108 real_cost = -194.744 PROTINFO_TS1-scwrl costs 25.546 real_cost = -215.249 PROTINFO_TS1 costs 25.546 real_cost = -225.697 PROTINFO-AB_TS5-scwrl costs 36.512 real_cost = -211.400 PROTINFO-AB_TS5 costs 36.512 real_cost = -204.569 PROTINFO-AB_TS4-scwrl costs 30.295 real_cost = -214.159 PROTINFO-AB_TS4 costs 30.295 real_cost = -218.828 PROTINFO-AB_TS3-scwrl costs 29.254 real_cost = -216.828 PROTINFO-AB_TS3 costs 29.254 real_cost = -211.347 PROTINFO-AB_TS2-scwrl costs 32.351 real_cost = -224.168 PROTINFO-AB_TS2 costs 32.351 real_cost = -222.577 PROTINFO-AB_TS1-scwrl costs 33.311 real_cost = -222.212 PROTINFO-AB_TS1 costs 33.311 real_cost = -222.732 NN_PUT_lab_TS1-scwrl costs 30.147 real_cost = -178.699 NN_PUT_lab_TS1 costs 30.147 real_cost = -172.978 MetaTasser_TS1-scwrl costs 35.954 real_cost = -205.535 MetaTasser_TS1 costs 35.954 real_cost = -202.628 Ma-OPUS-server_TS5-scwrl costs 27.878 real_cost = -97.204 Ma-OPUS-server_TS5 costs 27.878 real_cost = -108.460 Ma-OPUS-server_TS4-scwrl costs 38.145 real_cost = -46.249 Ma-OPUS-server_TS4 costs 38.145 real_cost = -35.733 Ma-OPUS-server_TS3-scwrl costs 33.586 real_cost = -147.854 Ma-OPUS-server_TS3 costs 33.586 real_cost = -147.396 Ma-OPUS-server_TS2-scwrl costs 24.320 real_cost = -223.883 Ma-OPUS-server_TS2 costs 24.320 real_cost = -225.677 Ma-OPUS-server_TS1-scwrl costs 23.275 real_cost = -205.152 Ma-OPUS-server_TS1 costs 23.275 real_cost = -207.576 MIG_FROST_AL1-scwrl costs 29.370 real_cost = -197.903 MIG_FROST_AL1 costs 29.370 real_cost = -104.291 LOOPP_TS5-scwrl costs 28.880 real_cost = -188.913 LOOPP_TS5 costs 28.861 real_cost = -188.045 LOOPP_TS4-scwrl costs 27.451 real_cost = -116.205 LOOPP_TS4 costs 27.445 real_cost = -120.842 LOOPP_TS3-scwrl costs 31.564 real_cost = -177.766 LOOPP_TS3 costs 31.554 real_cost = -180.856 LOOPP_TS2-scwrl costs 35.305 real_cost = -198.308 LOOPP_TS2 costs 35.295 real_cost = -197.530 LOOPP_TS1-scwrl costs 30.147 real_cost = -178.699 LOOPP_TS1 costs 30.147 real_cost = -172.978 Huber-Torda-Server_TS5-scwrl costs 30.582 real_cost = -99.149 Huber-Torda-Server_TS5 costs 30.582 real_cost = -108.824 Huber-Torda-Server_TS4-scwrl costs 40.841 real_cost = -121.822 Huber-Torda-Server_TS4 costs 40.850 real_cost = -59.321 Huber-Torda-Server_TS3-scwrl costs 28.504 real_cost = -203.982 Huber-Torda-Server_TS3 costs 28.484 real_cost = -151.656 Huber-Torda-Server_TS2-scwrl costs 28.869 real_cost = -101.216 Huber-Torda-Server_TS2 costs 28.869 real_cost = -122.576 Huber-Torda-Server_TS1-scwrl costs 26.381 real_cost = -113.734 Huber-Torda-Server_TS1 costs 26.381 real_cost = -124.155 HHpred3_TS1-scwrl costs 22.429 real_cost = -233.307 HHpred3_TS1 costs 22.429 real_cost = -230.949 HHpred2_TS1-scwrl costs 22.429 real_cost = -233.307 HHpred2_TS1 costs 22.429 real_cost = -230.949 HHpred1_TS1-scwrl costs 24.812 real_cost = -229.899 HHpred1_TS1 costs 24.812 real_cost = -235.812 GeneSilicoMetaServer_TS5-scwrl costs 35.453 real_cost = -133.458 GeneSilicoMetaServer_TS5 costs 35.453 real_cost = -137.103 GeneSilicoMetaServer_TS4-scwrl costs 30.923 real_cost = -165.156 GeneSilicoMetaServer_TS4 costs 30.923 real_cost = -172.457 GeneSilicoMetaServer_TS3-scwrl costs 29.322 real_cost = -212.582 GeneSilicoMetaServer_TS3 costs 29.322 real_cost = -216.105 GeneSilicoMetaServer_TS2-scwrl costs 22.285 real_cost = -219.572 GeneSilicoMetaServer_TS2 costs 22.285 real_cost = -219.157 GeneSilicoMetaServer_TS1-scwrl costs 22.285 real_cost = -219.572 GeneSilicoMetaServer_TS1 costs 22.285 real_cost = -219.157 Frankenstein_TS4-scwrl costs 33.845 real_cost = -212.525 Frankenstein_TS4 costs 33.845 real_cost = -214.158 FUNCTION_TS5-scwrl costs 29.260 real_cost = -212.961 FUNCTION_TS5 costs 29.260 real_cost = -213.871 FUNCTION_TS4-scwrl costs 29.921 real_cost = -187.002 FUNCTION_TS4 costs 29.921 real_cost = -182.751 FUNCTION_TS3-scwrl costs 30.035 real_cost = -181.560 FUNCTION_TS3 costs 30.035 real_cost = -186.179 FUNCTION_TS2-scwrl costs 27.247 real_cost = -183.317 FUNCTION_TS2 costs 27.247 real_cost = -184.538 FUNCTION_TS1-scwrl costs 32.450 real_cost = -190.247 FUNCTION_TS1 costs 32.450 real_cost = -187.265 FUGUE_AL5-scwrl costs 50.917 real_cost = 223.928 FUGUE_AL5 costs 50.917 real_cost = 324.286 FUGUE_AL4-scwrl costs 46.430 real_cost = 47.088 FUGUE_AL4 costs 46.438 real_cost = 123.938 FUGUE_AL3-scwrl costs 45.289 real_cost = -64.762 FUGUE_AL3 costs 45.289 real_cost = 38.985 FUGUE_AL2-scwrl costs 30.927 real_cost = -191.875 FUGUE_AL2 costs 30.910 real_cost = -124.787 FUGUE_AL1-scwrl costs 28.504 real_cost = -203.982 FUGUE_AL1 costs 28.484 real_cost = -127.692 FUGMOD_TS5-scwrl costs 45.475 real_cost = 216.110 FUGMOD_TS5 costs 45.475 real_cost = 217.001 FUGMOD_TS4-scwrl costs 50.330 real_cost = 29.617 FUGMOD_TS4 costs 50.311 real_cost = 36.891 FUGMOD_TS3-scwrl costs 48.733 real_cost = -26.779 FUGMOD_TS3 costs 48.733 real_cost = -26.474 FUGMOD_TS2-scwrl costs 23.552 real_cost = -225.177 FUGMOD_TS2 costs 23.552 real_cost = -227.710 FUGMOD_TS1-scwrl costs 25.742 real_cost = -205.949 FUGMOD_TS1 costs 25.722 real_cost = -222.294 FPSOLVER-SERVER_TS5-scwrl costs 85.793 real_cost = 242.529 FPSOLVER-SERVER_TS5 costs 85.793 real_cost = 242.952 FPSOLVER-SERVER_TS4-scwrl costs 107.086 real_cost = 250.390 FPSOLVER-SERVER_TS4 costs 107.086 real_cost = 251.226 FPSOLVER-SERVER_TS3-scwrl costs 97.476 real_cost = 245.157 FPSOLVER-SERVER_TS3 costs 97.476 real_cost = 247.710 FPSOLVER-SERVER_TS2-scwrl costs 99.316 real_cost = 263.588 FPSOLVER-SERVER_TS2 costs 99.316 real_cost = 263.963 FPSOLVER-SERVER_TS1-scwrl costs 94.771 real_cost = 222.750 FPSOLVER-SERVER_TS1 costs 94.771 real_cost = 226.696 FORTE2_AL5-scwrl costs 45.613 real_cost = 71.066 FORTE2_AL5 costs 45.593 real_cost = 150.333 FORTE2_AL4-scwrl costs 39.454 real_cost = -162.303 FORTE2_AL4 costs 39.426 real_cost = -82.797 FORTE2_AL3-scwrl costs 38.646 real_cost = 15.917 FORTE2_AL3 costs 38.646 real_cost = 4.093 FORTE2_AL2-scwrl costs 31.537 real_cost = -199.639 FORTE2_AL2 costs 31.537 real_cost = -103.598 FORTE2_AL1-scwrl costs 28.504 real_cost = -203.982 FORTE2_AL1 costs 28.484 real_cost = -127.692 FORTE1_AL5-scwrl costs 78.494 real_cost = 329.362 FORTE1_AL5 costs 78.494 real_cost = 323.325 FORTE1_AL4-scwrl costs 45.233 real_cost = -112.592 FORTE1_AL4 costs 45.204 real_cost = -35.067 FORTE1_AL3-scwrl costs 41.492 real_cost = 35.098 FORTE1_AL3 costs 41.492 real_cost = 24.645 FORTE1_AL2-scwrl costs 31.537 real_cost = -199.639 FORTE1_AL2 costs 31.537 real_cost = -103.598 FORTE1_AL1-scwrl costs 28.504 real_cost = -203.982 FORTE1_AL1 costs 28.484 real_cost = -127.692 FOLDpro_TS5-scwrl costs 29.373 real_cost = 65.733 FOLDpro_TS5 costs 29.373 real_cost = 72.346 FOLDpro_TS4-scwrl costs 27.120 real_cost = -184.257 FOLDpro_TS4 costs 27.120 real_cost = -180.594 FOLDpro_TS3-scwrl costs 28.554 real_cost = 63.563 FOLDpro_TS3 costs 28.554 real_cost = 65.761 FOLDpro_TS2-scwrl costs 25.502 real_cost = -234.815 FOLDpro_TS2 costs 25.502 real_cost = -241.110 FOLDpro_TS1-scwrl costs 22.436 real_cost = -230.243 FOLDpro_TS1 costs 22.436 real_cost = -231.511 FAMS_TS5-scwrl costs 30.677 real_cost = -211.099 FAMS_TS5 costs 30.677 real_cost = -205.386 FAMS_TS4-scwrl costs 27.247 real_cost = -183.317 FAMS_TS4 costs 27.247 real_cost = -184.538 FAMS_TS3-scwrl costs 28.329 real_cost = -180.829 FAMS_TS3 costs 28.329 real_cost = -180.087 FAMS_TS2-scwrl costs 28.120 real_cost = -202.886 FAMS_TS2 costs 28.120 real_cost = -189.124 FAMS_TS1-scwrl costs 28.708 real_cost = -214.097 FAMS_TS1 costs 28.708 real_cost = -212.010 FAMSD_TS5-scwrl costs 27.376 real_cost = -140.340 FAMSD_TS5 costs 27.376 real_cost = -129.902 FAMSD_TS4-scwrl costs 28.751 real_cost = -186.768 FAMSD_TS4 costs 28.751 real_cost = -189.886 FAMSD_TS3-scwrl costs 26.785 real_cost = -177.521 FAMSD_TS3 costs 26.785 real_cost = -172.203 FAMSD_TS2-scwrl costs 26.222 real_cost = -193.549 FAMSD_TS2 costs 26.222 real_cost = -181.752 FAMSD_TS1-scwrl costs 27.705 real_cost = -189.652 FAMSD_TS1 costs 27.705 real_cost = -194.655 Distill_TS5-scwrl costs 249.142 real_cost = 233.753 Distill_TS4-scwrl costs 251.366 real_cost = 230.932 Distill_TS3-scwrl costs 253.428 real_cost = 231.207 Distill_TS2-scwrl costs 252.756 real_cost = 239.460 Distill_TS1-scwrl costs 253.968 real_cost = 225.752 CaspIta-FOX_TS5-scwrl costs 26.747 real_cost = -196.607 CaspIta-FOX_TS5 costs 26.747 real_cost = -193.985 CaspIta-FOX_TS4-scwrl costs 28.869 real_cost = -170.182 CaspIta-FOX_TS4 costs 28.869 real_cost = -181.754 CaspIta-FOX_TS3-scwrl costs 31.250 real_cost = -174.531 CaspIta-FOX_TS3 costs 31.250 real_cost = -169.907 CaspIta-FOX_TS2-scwrl costs 26.381 real_cost = -193.526 CaspIta-FOX_TS2 costs 26.381 real_cost = -193.122 CaspIta-FOX_TS1-scwrl costs 26.456 real_cost = -146.195 CaspIta-FOX_TS1 costs 26.456 real_cost = -149.156 CPHmodels_TS1-scwrl costs 33.821 real_cost = -161.816 CPHmodels_TS1 costs 33.796 real_cost = -173.198 CIRCLE_TS5-scwrl costs 28.329 real_cost = -180.829 CIRCLE_TS5 costs 28.329 real_cost = -180.087 CIRCLE_TS4-scwrl costs 28.120 real_cost = -202.886 CIRCLE_TS4 costs 28.120 real_cost = -189.124 CIRCLE_TS3-scwrl costs 26.222 real_cost = -193.549 CIRCLE_TS3 costs 26.222 real_cost = -181.752 CIRCLE_TS2-scwrl costs 30.677 real_cost = -211.099 CIRCLE_TS2 costs 30.677 real_cost = -205.386 CIRCLE_TS1-scwrl costs 25.897 real_cost = -207.843 CIRCLE_TS1 costs 25.897 real_cost = -205.450 Bilab-ENABLE_TS5-scwrl costs 24.774 real_cost = -181.506 Bilab-ENABLE_TS5 costs 24.774 real_cost = -181.509 Bilab-ENABLE_TS4-scwrl costs 24.280 real_cost = -196.715 Bilab-ENABLE_TS4 costs 24.280 real_cost = -196.715 Bilab-ENABLE_TS3-scwrl costs 24.609 real_cost = -208.498 Bilab-ENABLE_TS3 costs 24.609 real_cost = -208.823 Bilab-ENABLE_TS2-scwrl costs 28.132 real_cost = -206.218 Bilab-ENABLE_TS2 costs 28.132 real_cost = -205.882 Bilab-ENABLE_TS1-scwrl costs 26.980 real_cost = -217.637 Bilab-ENABLE_TS1 costs 26.980 real_cost = -217.637 BayesHH_TS1-scwrl costs 24.383 real_cost = -219.652 BayesHH_TS1 costs 24.383 real_cost = -215.692 ABIpro_TS5-scwrl costs 51.361 real_cost = 185.644 ABIpro_TS5 costs 51.361 real_cost = 185.644 ABIpro_TS4-scwrl costs 34.900 real_cost = 151.791 ABIpro_TS4 costs 34.900 real_cost = 151.798 ABIpro_TS3-scwrl costs 43.678 real_cost = 182.441 ABIpro_TS3 costs 43.678 real_cost = 182.441 ABIpro_TS2-scwrl costs 47.677 real_cost = 193.068 ABIpro_TS2 costs 47.677 real_cost = 193.070 ABIpro_TS1-scwrl costs 34.371 real_cost = 181.571 ABIpro_TS1 costs 34.371 real_cost = 181.962 3Dpro_TS5-scwrl costs 27.309 real_cost = -152.513 3Dpro_TS5 costs 27.309 real_cost = -152.955 3Dpro_TS4-scwrl costs 33.952 real_cost = 82.873 3Dpro_TS4 costs 33.952 real_cost = 75.391 3Dpro_TS3-scwrl costs 26.943 real_cost = 47.650 3Dpro_TS3 costs 26.943 real_cost = 48.208 3Dpro_TS2-scwrl costs 24.206 real_cost = -224.751 3Dpro_TS2 costs 24.206 real_cost = -221.499 3Dpro_TS1-scwrl costs 24.231 real_cost = -227.911 3Dpro_TS1 costs 24.231 real_cost = -225.896 3D-JIGSAW_TS5-scwrl costs 32.959 real_cost = -146.226 3D-JIGSAW_TS5 costs 32.959 real_cost = -133.336 3D-JIGSAW_TS4-scwrl costs 31.575 real_cost = -148.805 3D-JIGSAW_TS4 costs 31.575 real_cost = -142.792 3D-JIGSAW_TS3-scwrl costs 35.885 real_cost = -204.884 3D-JIGSAW_TS3 costs 35.865 real_cost = -206.043 3D-JIGSAW_TS2-scwrl costs 36.321 real_cost = -174.735 3D-JIGSAW_TS2 costs 36.327 real_cost = -165.909 3D-JIGSAW_TS1-scwrl costs 31.135 real_cost = -163.955 3D-JIGSAW_TS1 costs 31.129 real_cost = -174.694 3D-JIGSAW_RECOM_TS5-scwrl costs 34.353 real_cost = -182.977 3D-JIGSAW_RECOM_TS5 costs 34.347 real_cost = -189.779 3D-JIGSAW_RECOM_TS4-scwrl costs 37.683 real_cost = -169.088 3D-JIGSAW_RECOM_TS4 costs 37.668 real_cost = -176.961 3D-JIGSAW_RECOM_TS3-scwrl costs 36.686 real_cost = -177.897 3D-JIGSAW_RECOM_TS3 costs 36.671 real_cost = -191.913 3D-JIGSAW_RECOM_TS2-scwrl costs 35.224 real_cost = -182.378 3D-JIGSAW_RECOM_TS2 costs 35.209 real_cost = -197.553 3D-JIGSAW_RECOM_TS1-scwrl costs 35.112 real_cost = -160.395 3D-JIGSAW_RECOM_TS1 costs 35.097 real_cost = -172.105 3D-JIGSAW_POPULUS_TS5-scwrl costs 29.374 real_cost = -149.550 3D-JIGSAW_POPULUS_TS5 costs 29.359 real_cost = -160.017 3D-JIGSAW_POPULUS_TS4-scwrl costs 28.710 real_cost = -201.476 3D-JIGSAW_POPULUS_TS4 costs 28.710 real_cost = -201.574 3D-JIGSAW_POPULUS_TS3-scwrl costs 31.988 real_cost = -165.059 3D-JIGSAW_POPULUS_TS3 costs 31.988 real_cost = -165.045 3D-JIGSAW_POPULUS_TS2-scwrl costs 31.486 real_cost = -118.383 3D-JIGSAW_POPULUS_TS2 costs 31.458 real_cost = -127.439 3D-JIGSAW_POPULUS_TS1-scwrl costs 31.200 real_cost = -153.363 3D-JIGSAW_POPULUS_TS1 costs 31.200 real_cost = -153.365 T0302.try2-opt2.repack-nonPC.pdb.gz costs 33.870 real_cost = -215.897 T0302.try2-opt2.pdb.gz costs 33.870 real_cost = -216.199 T0302.try2-opt2.gromacs0.pdb.gz costs 23.755 real_cost = -213.723 T0302.try2-opt1.pdb.gz costs 33.698 real_cost = -217.162 T0302.try2-opt1-scwrl.pdb.gz costs 33.698 real_cost = -213.491 T0302.try1-opt2.repack-nonPC.pdb.gz costs 40.661 real_cost = -201.673 T0302.try1-opt2.pdb.gz costs 40.661 real_cost = -200.927 T0302.try1-opt2.gromacs0.pdb.gz costs 26.803 real_cost = -200.631 T0302.try1-opt1.pdb.gz costs 40.405 real_cost = -193.376 T0302.try1-opt1-scwrl.pdb.gz costs 40.405 real_cost = -193.082 ../model5.ts-submitted costs 32.634 real_cost = 86.493 ../model4.ts-submitted costs 29.613 real_cost = -189.025 ../model3.ts-submitted costs 27.950 real_cost = -195.573 ../model2.ts-submitted costs 40.661 real_cost = -200.747 ../model1.ts-submitted costs 33.870 real_cost = -216.850 align5 costs 38.198 real_cost = -10.204 align4 costs 48.779 real_cost = -81.961 align3 costs 34.842 real_cost = 86.378 align2 costs 31.838 real_cost = -183.736 align1 costs 28.676 real_cost = -195.689 T0302.try1-opt2.pdb costs 40.661 real_cost = -200.927 model5-scwrl costs 32.677 real_cost = 98.861 model5.ts-submitted costs 32.634 real_cost = 86.493 model4-scwrl costs 29.631 real_cost = -173.083 model4.ts-submitted costs 29.613 real_cost = -189.025 model3-scwrl costs 27.872 real_cost = -191.680 model3.ts-submitted costs 27.950 real_cost = -195.573 model2-scwrl costs 40.661 real_cost = -200.555 model2.ts-submitted costs 40.661 real_cost = -200.747 model1-scwrl costs 32.092 real_cost = -212.949 model1.ts-submitted costs 33.870 real_cost = -216.850 2jm5A costs 32.650 real_cost = -895.000 # command:CPU_time= 443.404 sec, elapsed time= 713.925 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/T0302'