make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0300' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0300.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/T0300.} ;\ 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/T0300/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2h3rA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182975189 # 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= 8.229 sec, elapsed time= 8.302 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= 8.312 sec, elapsed time= 8.408 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0300 numbered 1 through 102 Created new target T0300 from T0300.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2h3rA expands to /projects/compbio/data/pdb/2h3r.pdb.gz 2h3rA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 90 residues and 703 atoms. # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 11.273 sec, elapsed time= 11.483 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 97 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -44.101 # GDT_score(maxd=8.000,maxw=2.900)= -43.795 # GDT_score(maxd=8.000,maxw=3.200)= -43.166 # GDT_score(maxd=8.000,maxw=3.500)= -42.602 # GDT_score(maxd=10.000,maxw=3.800)= -44.029 # GDT_score(maxd=10.000,maxw=4.000)= -43.503 # GDT_score(maxd=10.000,maxw=4.200)= -42.930 # GDT_score(maxd=12.000,maxw=4.300)= -44.460 # GDT_score(maxd=12.000,maxw=4.500)= -43.857 # GDT_score(maxd=12.000,maxw=4.700)= -43.189 # GDT_score(maxd=14.000,maxw=5.200)= -43.171 # GDT_score(maxd=14.000,maxw=5.500)= -41.847 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0300.model1-real.pdb for output Error: Couldn't open file T0300.model1-real.pdb for output superimposing iter= 0 total_weight= 1051 rmsd (weighted)= 14.0464 (unweighted)= 22.8559 superimposing iter= 1 total_weight= 961.282 rmsd (weighted)= 11.7201 (unweighted)= 22.3547 superimposing iter= 2 total_weight= 813.193 rmsd (weighted)= 10.6477 (unweighted)= 22.1708 superimposing iter= 3 total_weight= 866.942 rmsd (weighted)= 9.36948 (unweighted)= 22.1868 superimposing iter= 4 total_weight= 915.08 rmsd (weighted)= 8.06639 (unweighted)= 22.3101 superimposing iter= 5 total_weight= 849.434 rmsd (weighted)= 7.2265 (unweighted)= 22.4852 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 17.826 -7.583 20.009 1.00 0.00 ATOM 2 CA MET A 1 19.057 -8.030 19.364 1.00 0.00 ATOM 3 CB MET A 1 20.078 -8.483 20.411 1.00 0.00 ATOM 4 CG MET A 1 20.597 -7.362 21.296 1.00 0.00 ATOM 5 SD MET A 1 21.477 -6.092 20.367 1.00 0.00 ATOM 6 CE MET A 1 22.940 -6.997 19.860 1.00 0.00 ATOM 7 O MET A 1 17.667 -9.748 18.429 1.00 0.00 ATOM 8 C MET A 1 18.775 -9.202 18.428 1.00 0.00 ATOM 9 N ALA A 2 19.766 -9.565 17.616 1.00 0.00 ATOM 10 CA ALA A 2 19.620 -10.669 16.669 1.00 0.00 ATOM 11 CB ALA A 2 20.875 -10.828 15.826 1.00 0.00 ATOM 12 O ALA A 2 18.567 -12.812 16.875 1.00 0.00 ATOM 13 C ALA A 2 19.333 -11.995 17.383 1.00 0.00 ATOM 14 N SER A 3 19.930 -12.212 18.554 1.00 0.00 ATOM 15 CA SER A 3 19.637 -13.428 19.336 1.00 0.00 ATOM 16 CB SER A 3 20.428 -13.500 20.632 1.00 0.00 ATOM 17 OG SER A 3 19.855 -12.724 21.687 1.00 0.00 ATOM 18 O SER A 3 17.640 -14.612 19.928 1.00 0.00 ATOM 19 C SER A 3 18.160 -13.520 19.706 1.00 0.00 ATOM 20 N LYS A 4 17.515 -12.353 19.778 1.00 0.00 ATOM 21 CA LYS A 4 16.100 -12.325 20.126 1.00 0.00 ATOM 22 CB LYS A 4 15.553 -10.942 20.421 1.00 0.00 ATOM 23 CG LYS A 4 16.354 -10.262 21.552 1.00 0.00 ATOM 24 CD LYS A 4 15.600 -9.716 22.740 1.00 0.00 ATOM 25 CE LYS A 4 16.527 -9.002 23.725 1.00 0.00 ATOM 26 NZ LYS A 4 16.114 -7.584 23.966 1.00 0.00 ATOM 27 O LYS A 4 14.117 -13.245 19.184 1.00 0.00 ATOM 28 C LYS A 4 15.254 -12.837 18.980 1.00 0.00 ATOM 29 N LYS A 5 15.763 -12.721 17.756 1.00 0.00 ATOM 30 CA LYS A 5 15.153 -13.282 16.555 1.00 0.00 ATOM 31 CB LYS A 5 14.992 -12.186 15.499 1.00 0.00 ATOM 32 CG LYS A 5 14.067 -11.053 15.916 1.00 0.00 ATOM 33 CD LYS A 5 13.884 -10.048 14.790 1.00 0.00 ATOM 34 CE LYS A 5 13.017 -8.879 15.231 1.00 0.00 ATOM 35 NZ LYS A 5 12.806 -7.900 14.130 1.00 0.00 ATOM 36 O LYS A 5 16.950 -14.121 15.191 1.00 0.00 ATOM 37 C LYS A 5 16.043 -14.372 16.033 1.00 0.00 ATOM 38 N PRO A 6 16.158 -15.529 16.809 1.00 0.00 ATOM 39 CA PRO A 6 17.189 -16.541 16.608 1.00 0.00 ATOM 40 CB PRO A 6 16.843 -17.628 17.629 1.00 0.00 ATOM 41 CG PRO A 6 16.111 -16.908 18.709 1.00 0.00 ATOM 42 CD PRO A 6 15.287 -15.854 18.024 1.00 0.00 ATOM 43 O PRO A 6 18.270 -17.368 14.624 1.00 0.00 ATOM 44 C PRO A 6 17.201 -17.089 15.179 1.00 0.00 ATOM 45 N ASP A 7 16.021 -17.216 14.576 1.00 0.00 ATOM 46 CA ASP A 7 15.927 -17.713 13.211 1.00 0.00 ATOM 47 CB ASP A 7 14.461 -17.921 12.823 1.00 0.00 ATOM 48 CG ASP A 7 13.837 -19.112 13.528 1.00 0.00 ATOM 49 OD1 ASP A 7 14.589 -19.915 14.117 1.00 0.00 ATOM 50 OD2 ASP A 7 12.595 -19.240 13.487 1.00 0.00 ATOM 51 O ASP A 7 17.314 -17.062 11.373 1.00 0.00 ATOM 52 C ASP A 7 16.564 -16.708 12.287 1.00 0.00 ATOM 53 N LYS A 8 16.301 -15.372 12.571 1.00 0.00 ATOM 54 CA LYS A 8 16.862 -14.315 11.742 1.00 0.00 ATOM 55 CB LYS A 8 16.073 -12.997 12.017 1.00 0.00 ATOM 56 CG LYS A 8 14.570 -13.141 12.063 1.00 0.00 ATOM 57 CD LYS A 8 14.029 -13.994 10.926 1.00 0.00 ATOM 58 CE LYS A 8 14.141 -13.306 9.582 1.00 0.00 ATOM 59 NZ LYS A 8 13.250 -13.956 8.583 1.00 0.00 ATOM 60 O LYS A 8 19.102 -14.052 10.911 1.00 0.00 ATOM 61 C LYS A 8 18.384 -14.302 11.881 1.00 0.00 ATOM 62 N THR A 9 18.873 -14.593 13.073 1.00 0.00 ATOM 63 CA THR A 9 20.312 -14.649 13.300 1.00 0.00 ATOM 64 CB THR A 9 20.641 -14.805 14.797 1.00 0.00 ATOM 65 CG2 THR A 9 22.144 -14.902 15.005 1.00 0.00 ATOM 66 OG1 THR A 9 20.144 -13.671 15.518 1.00 0.00 ATOM 67 O THR A 9 22.032 -15.677 11.970 1.00 0.00 ATOM 68 C THR A 9 20.966 -15.818 12.573 1.00 0.00 ATOM 69 N TYR A 10 20.320 -16.982 12.633 1.00 0.00 ATOM 70 CA TYR A 10 20.812 -18.164 11.944 1.00 0.00 ATOM 71 CB TYR A 10 19.910 -19.365 12.234 1.00 0.00 ATOM 72 CG TYR A 10 20.340 -20.635 11.533 1.00 0.00 ATOM 73 CD1 TYR A 10 21.397 -21.393 12.021 1.00 0.00 ATOM 74 CD2 TYR A 10 19.687 -21.072 10.389 1.00 0.00 ATOM 75 CE1 TYR A 10 21.797 -22.555 11.387 1.00 0.00 ATOM 76 CE2 TYR A 10 20.071 -22.231 9.742 1.00 0.00 ATOM 77 CZ TYR A 10 21.137 -22.972 10.253 1.00 0.00 ATOM 78 OH TYR A 10 21.533 -24.130 9.621 1.00 0.00 ATOM 79 O TYR A 10 21.773 -18.193 9.742 1.00 0.00 ATOM 80 C TYR A 10 20.816 -17.870 10.446 1.00 0.00 ATOM 81 N GLU A 11 19.765 -17.217 9.968 1.00 0.00 ATOM 82 CA GLU A 11 19.676 -16.883 8.555 1.00 0.00 ATOM 83 CB GLU A 11 18.325 -16.236 8.240 1.00 0.00 ATOM 84 CG GLU A 11 17.148 -17.194 8.304 1.00 0.00 ATOM 85 CD GLU A 11 15.816 -16.495 8.109 1.00 0.00 ATOM 86 OE1 GLU A 11 15.810 -15.250 7.998 1.00 0.00 ATOM 87 OE2 GLU A 11 14.781 -17.193 8.068 1.00 0.00 ATOM 88 O GLU A 11 21.435 -16.021 7.124 1.00 0.00 ATOM 89 C GLU A 11 20.808 -15.947 8.180 1.00 0.00 ATOM 90 N GLU A 12 21.081 -14.999 9.119 1.00 0.00 ATOM 91 CA GLU A 12 22.153 -14.026 8.926 1.00 0.00 ATOM 92 CB GLU A 12 22.239 -13.051 10.102 1.00 0.00 ATOM 93 CG GLU A 12 21.070 -12.085 10.196 1.00 0.00 ATOM 94 CD GLU A 12 21.116 -11.232 11.448 1.00 0.00 ATOM 95 OE1 GLU A 12 22.026 -11.445 12.278 1.00 0.00 ATOM 96 OE2 GLU A 12 20.244 -10.351 11.600 1.00 0.00 ATOM 97 O GLU A 12 24.255 -14.473 7.840 1.00 0.00 ATOM 98 C GLU A 12 23.505 -14.730 8.786 1.00 0.00 ATOM 99 N MET A 13 23.828 -15.635 9.712 1.00 0.00 ATOM 100 CA MET A 13 25.102 -16.343 9.653 1.00 0.00 ATOM 101 CB MET A 13 25.299 -17.197 10.909 1.00 0.00 ATOM 102 CG MET A 13 25.487 -16.391 12.184 1.00 0.00 ATOM 103 SD MET A 13 26.957 -15.348 12.136 1.00 0.00 ATOM 104 CE MET A 13 26.244 -13.780 11.642 1.00 0.00 ATOM 105 O MET A 13 26.204 -17.355 7.781 1.00 0.00 ATOM 106 C MET A 13 25.177 -17.283 8.447 1.00 0.00 ATOM 107 N VAL A 14 24.081 -17.946 8.126 1.00 0.00 ATOM 108 CA VAL A 14 24.037 -18.846 6.969 1.00 0.00 ATOM 109 CB VAL A 14 22.685 -19.610 6.949 1.00 0.00 ATOM 110 CG1 VAL A 14 22.573 -20.428 5.677 1.00 0.00 ATOM 111 CG2 VAL A 14 22.576 -20.515 8.178 1.00 0.00 ATOM 112 O VAL A 14 24.940 -18.539 4.766 1.00 0.00 ATOM 113 C VAL A 14 24.212 -18.094 5.644 1.00 0.00 ATOM 114 N LYS A 15 23.536 -16.984 5.502 1.00 0.00 ATOM 115 CA LYS A 15 23.646 -16.179 4.280 1.00 0.00 ATOM 116 CB LYS A 15 22.746 -14.946 4.367 1.00 0.00 ATOM 117 CG LYS A 15 22.778 -14.067 3.127 1.00 0.00 ATOM 118 CD LYS A 15 21.808 -12.903 3.251 1.00 0.00 ATOM 119 CE LYS A 15 21.875 -11.995 2.034 1.00 0.00 ATOM 120 NZ LYS A 15 20.948 -10.836 2.154 1.00 0.00 ATOM 121 O LYS A 15 25.664 -15.849 3.000 1.00 0.00 ATOM 122 C LYS A 15 25.085 -15.708 4.086 1.00 0.00 ATOM 123 N GLU A 16 25.647 -15.133 5.123 1.00 0.00 ATOM 124 CA GLU A 16 27.019 -14.647 5.036 1.00 0.00 ATOM 125 CB GLU A 16 27.407 -13.909 6.320 1.00 0.00 ATOM 126 CG GLU A 16 26.708 -12.571 6.502 1.00 0.00 ATOM 127 CD GLU A 16 26.976 -11.613 5.358 1.00 0.00 ATOM 128 OE1 GLU A 16 28.163 -11.396 5.031 1.00 0.00 ATOM 129 OE2 GLU A 16 26.002 -11.081 4.788 1.00 0.00 ATOM 130 O GLU A 16 29.005 -15.623 4.144 1.00 0.00 ATOM 131 C GLU A 16 28.002 -15.790 4.829 1.00 0.00 ATOM 132 N VAL A 17 27.708 -16.943 5.420 1.00 0.00 ATOM 133 CA VAL A 17 28.579 -18.113 5.283 1.00 0.00 ATOM 134 CB VAL A 17 28.192 -19.196 6.340 1.00 0.00 ATOM 135 CG1 VAL A 17 28.844 -20.552 6.038 1.00 0.00 ATOM 136 CG2 VAL A 17 28.551 -18.720 7.756 1.00 0.00 ATOM 137 O VAL A 17 29.599 -18.893 3.249 1.00 0.00 ATOM 138 C VAL A 17 28.551 -18.573 3.820 1.00 0.00 ATOM 139 N GLU A 18 27.362 -18.605 3.211 1.00 0.00 ATOM 140 CA GLU A 18 27.259 -19.015 1.808 1.00 0.00 ATOM 141 CB GLU A 18 25.785 -19.059 1.403 1.00 0.00 ATOM 142 CG GLU A 18 24.997 -20.185 2.051 1.00 0.00 ATOM 143 CD GLU A 18 23.522 -20.143 1.698 1.00 0.00 ATOM 144 OE1 GLU A 18 23.106 -19.197 0.997 1.00 0.00 ATOM 145 OE2 GLU A 18 22.784 -21.056 2.122 1.00 0.00 ATOM 146 O GLU A 18 28.609 -18.395 -0.053 1.00 0.00 ATOM 147 C GLU A 18 27.999 -18.019 0.927 1.00 0.00 ATOM 148 N ARG A 19 27.964 -16.743 1.307 1.00 0.00 ATOM 149 CA ARG A 19 28.666 -15.713 0.543 1.00 0.00 ATOM 150 CB ARG A 19 28.546 -14.344 1.119 1.00 0.00 ATOM 151 CG ARG A 19 27.227 -13.683 0.745 1.00 0.00 ATOM 152 CD ARG A 19 27.122 -13.502 -0.766 1.00 0.00 ATOM 153 NE ARG A 19 28.081 -12.520 -1.264 1.00 0.00 ATOM 154 CZ ARG A 19 28.410 -12.374 -2.545 1.00 0.00 ATOM 155 NH1 ARG A 19 27.862 -13.152 -3.467 1.00 0.00 ATOM 156 NH2 ARG A 19 29.283 -11.444 -2.901 1.00 0.00 ATOM 157 O ARG A 19 30.886 -15.987 -0.440 1.00 0.00 ATOM 158 C ARG A 19 30.168 -15.984 0.578 1.00 0.00 ATOM 159 N LEU A 20 30.709 -16.219 1.801 1.00 0.00 ATOM 160 CA LEU A 20 32.128 -16.512 1.991 1.00 0.00 ATOM 161 CB LEU A 20 32.435 -16.715 3.476 1.00 0.00 ATOM 162 CG LEU A 20 33.885 -17.052 3.828 1.00 0.00 ATOM 163 CD1 LEU A 20 34.815 -15.923 3.411 1.00 0.00 ATOM 164 CD2 LEU A 20 34.038 -17.267 5.327 1.00 0.00 ATOM 165 O LEU A 20 33.575 -17.857 0.633 1.00 0.00 ATOM 166 C LEU A 20 32.522 -17.794 1.264 1.00 0.00 ATOM 167 N LYS A 21 31.657 -18.815 1.343 1.00 0.00 ATOM 168 CA LYS A 21 31.928 -20.086 0.680 1.00 0.00 ATOM 169 CB LYS A 21 30.786 -21.061 0.975 1.00 0.00 ATOM 170 CG LYS A 21 30.950 -22.424 0.322 1.00 0.00 ATOM 171 CD LYS A 21 29.822 -23.364 0.713 1.00 0.00 ATOM 172 CE LYS A 21 29.959 -24.709 0.023 1.00 0.00 ATOM 173 NZ LYS A 21 28.845 -25.633 0.379 1.00 0.00 ATOM 174 O LYS A 21 32.965 -20.430 -1.463 1.00 0.00 ATOM 175 C LYS A 21 32.031 -19.925 -0.834 1.00 0.00 ATOM 176 N LEU A 22 31.066 -19.214 -1.440 1.00 0.00 ATOM 177 CA LEU A 22 31.062 -18.997 -2.880 1.00 0.00 ATOM 178 CB LEU A 22 29.840 -18.191 -3.322 1.00 0.00 ATOM 179 CG LEU A 22 28.486 -18.893 -3.206 1.00 0.00 ATOM 180 CD1 LEU A 22 27.351 -17.926 -3.500 1.00 0.00 ATOM 181 CD2 LEU A 22 28.394 -20.048 -4.191 1.00 0.00 ATOM 182 O LEU A 22 32.916 -18.557 -4.367 1.00 0.00 ATOM 183 C LEU A 22 32.308 -18.234 -3.348 1.00 0.00 ATOM 184 N GLU A 23 32.692 -17.232 -2.578 1.00 0.00 ATOM 185 CA GLU A 23 33.890 -16.470 -2.866 1.00 0.00 ATOM 186 CB GLU A 23 34.121 -15.408 -1.788 1.00 0.00 ATOM 187 CG GLU A 23 33.131 -14.256 -1.829 1.00 0.00 ATOM 188 CD GLU A 23 33.303 -13.299 -0.666 1.00 0.00 ATOM 189 OE1 GLU A 23 34.141 -13.579 0.215 1.00 0.00 ATOM 190 OE2 GLU A 23 32.598 -12.267 -0.638 1.00 0.00 ATOM 191 O GLU A 23 35.934 -17.299 -3.808 1.00 0.00 ATOM 192 C GLU A 23 35.120 -17.358 -2.906 1.00 0.00 ATOM 193 N ASN A 24 35.249 -18.202 -1.899 1.00 0.00 ATOM 194 CA ASN A 24 36.397 -19.093 -1.806 1.00 0.00 ATOM 195 CB ASN A 24 36.411 -19.849 -0.476 1.00 0.00 ATOM 196 CG ASN A 24 36.757 -18.957 0.699 1.00 0.00 ATOM 197 ND2 ASN A 24 36.384 -19.388 1.898 1.00 0.00 ATOM 198 OD1 ASN A 24 37.354 -17.893 0.529 1.00 0.00 ATOM 199 O ASN A 24 37.335 -20.331 -3.649 1.00 0.00 ATOM 200 C ASN A 24 36.330 -20.072 -2.981 1.00 0.00 ATOM 201 N LYS A 25 35.189 -20.612 -3.260 1.00 0.00 ATOM 202 CA LYS A 25 35.016 -21.539 -4.378 1.00 0.00 ATOM 203 CB LYS A 25 33.553 -21.979 -4.458 1.00 0.00 ATOM 204 CG LYS A 25 33.275 -23.009 -5.541 1.00 0.00 ATOM 205 CD LYS A 25 31.821 -23.453 -5.520 1.00 0.00 ATOM 206 CE LYS A 25 31.530 -24.448 -6.633 1.00 0.00 ATOM 207 NZ LYS A 25 30.103 -24.873 -6.639 1.00 0.00 ATOM 208 O LYS A 25 36.148 -21.473 -6.486 1.00 0.00 ATOM 209 C LYS A 25 35.410 -20.893 -5.694 1.00 0.00 ATOM 210 N THR A 26 34.915 -19.679 -5.913 1.00 0.00 ATOM 211 CA THR A 26 35.199 -18.949 -7.140 1.00 0.00 ATOM 212 CB THR A 26 34.416 -17.624 -7.201 1.00 0.00 ATOM 213 CG2 THR A 26 34.759 -16.861 -8.471 1.00 0.00 ATOM 214 OG1 THR A 26 33.008 -17.897 -7.191 1.00 0.00 ATOM 215 O THR A 26 37.271 -18.744 -8.331 1.00 0.00 ATOM 216 C THR A 26 36.677 -18.584 -7.265 1.00 0.00 ATOM 217 N LEU A 27 37.280 -18.146 -6.168 1.00 0.00 ATOM 218 CA LEU A 27 38.689 -17.773 -6.184 1.00 0.00 ATOM 219 CB LEU A 27 39.083 -17.160 -4.832 1.00 0.00 ATOM 220 CG LEU A 27 38.266 -15.944 -4.369 1.00 0.00 ATOM 221 CD1 LEU A 27 38.889 -15.394 -3.077 1.00 0.00 ATOM 222 CD2 LEU A 27 38.205 -14.867 -5.451 1.00 0.00 ATOM 223 O LEU A 27 40.468 -18.909 -7.359 1.00 0.00 ATOM 224 C LEU A 27 39.553 -18.995 -6.531 1.00 0.00 ATOM 225 N LYS A 28 39.216 -20.131 -5.933 1.00 0.00 ATOM 226 CA LYS A 28 39.945 -21.366 -6.181 1.00 0.00 ATOM 227 CB LYS A 28 39.428 -22.492 -5.283 1.00 0.00 ATOM 228 CG LYS A 28 39.757 -22.312 -3.811 1.00 0.00 ATOM 229 CD LYS A 28 39.218 -23.465 -2.979 1.00 0.00 ATOM 230 CE LYS A 28 39.526 -23.274 -1.503 1.00 0.00 ATOM 231 NZ LYS A 28 38.973 -24.379 -0.673 1.00 0.00 ATOM 232 O LYS A 28 40.799 -22.156 -8.274 1.00 0.00 ATOM 233 C LYS A 28 39.818 -21.775 -7.643 1.00 0.00 ATOM 234 N GLN A 29 38.600 -21.686 -8.186 1.00 0.00 ATOM 235 CA GLN A 29 38.370 -22.060 -9.576 1.00 0.00 ATOM 236 CB GLN A 29 36.952 -21.851 -9.980 1.00 0.00 ATOM 237 CG GLN A 29 36.666 -22.265 -11.430 1.00 0.00 ATOM 238 CD GLN A 29 36.903 -23.732 -11.650 1.00 0.00 ATOM 239 OE1 GLN A 29 36.472 -24.558 -10.826 1.00 0.00 ATOM 240 NE2 GLN A 29 37.613 -24.077 -12.706 1.00 0.00 ATOM 241 O GLN A 29 39.772 -21.687 -11.495 1.00 0.00 ATOM 242 C GLN A 29 39.173 -21.186 -10.541 1.00 0.00 ATOM 243 N LYS A 30 39.190 -19.874 -10.296 1.00 0.00 ATOM 244 CA LYS A 30 39.927 -18.962 -11.160 1.00 0.00 ATOM 245 CB LYS A 30 39.666 -17.515 -10.737 1.00 0.00 ATOM 246 CG LYS A 30 38.264 -17.021 -11.052 1.00 0.00 ATOM 247 CD LYS A 30 38.073 -15.579 -10.606 1.00 0.00 ATOM 248 CE LYS A 30 36.663 -15.092 -10.900 1.00 0.00 ATOM 249 NZ LYS A 30 36.452 -13.692 -10.438 1.00 0.00 ATOM 250 O LYS A 30 42.154 -19.092 -12.057 1.00 0.00 ATOM 251 C LYS A 30 41.433 -19.202 -11.064 1.00 0.00 ATOM 252 N VAL A 31 41.893 -19.540 -9.852 1.00 0.00 ATOM 253 CA VAL A 31 43.315 -19.787 -9.638 1.00 0.00 ATOM 254 CB VAL A 31 43.585 -20.056 -8.151 1.00 0.00 ATOM 255 CG1 VAL A 31 45.015 -20.561 -7.897 1.00 0.00 ATOM 256 CG2 VAL A 31 43.343 -18.789 -7.340 1.00 0.00 ATOM 257 O VAL A 31 44.826 -20.896 -11.172 1.00 0.00 ATOM 258 C VAL A 31 43.807 -20.944 -10.506 1.00 0.00 ATOM 259 N LYS A 32 43.010 -22.039 -10.485 1.00 0.00 ATOM 260 CA LYS A 32 43.396 -23.213 -11.260 1.00 0.00 ATOM 261 CB LYS A 32 41.991 -24.160 -11.194 1.00 0.00 ATOM 262 CG LYS A 32 41.040 -24.007 -10.014 1.00 0.00 ATOM 263 CD LYS A 32 41.454 -24.971 -8.923 1.00 0.00 ATOM 264 CE LYS A 32 40.548 -24.929 -7.695 1.00 0.00 ATOM 265 NZ LYS A 32 41.148 -25.776 -6.594 1.00 0.00 ATOM 266 O LYS A 32 44.223 -23.281 -13.506 1.00 0.00 ATOM 267 C LYS A 32 43.329 -22.908 -12.753 1.00 0.00 ATOM 268 N SER A 33 42.267 -22.235 -13.165 1.00 0.00 ATOM 269 CA SER A 33 42.132 -21.846 -14.573 1.00 0.00 ATOM 270 CB SER A 33 40.831 -21.071 -14.792 1.00 0.00 ATOM 271 OG SER A 33 39.700 -21.899 -14.572 1.00 0.00 ATOM 272 O SER A 33 43.833 -21.140 -16.126 1.00 0.00 ATOM 273 C SER A 33 43.286 -20.961 -15.040 1.00 0.00 ATOM 274 N SER A 34 43.649 -19.986 -14.209 1.00 0.00 ATOM 275 CA SER A 34 44.763 -19.115 -14.539 1.00 0.00 ATOM 276 CB SER A 34 44.737 -17.920 -13.597 1.00 0.00 ATOM 277 OG SER A 34 44.928 -18.388 -12.291 1.00 0.00 ATOM 278 O SER A 34 46.958 -19.641 -15.390 1.00 0.00 ATOM 279 C SER A 34 46.089 -19.894 -14.550 1.00 0.00 ATOM 280 N GLY A 35 46.229 -20.868 -13.663 1.00 0.00 ATOM 281 CA GLY A 35 47.430 -21.698 -13.646 1.00 0.00 ATOM 282 O GLY A 35 48.569 -22.721 -15.514 1.00 0.00 ATOM 283 C GLY A 35 47.486 -22.464 -14.961 1.00 0.00 ATOM 284 N ALA A 36 46.254 -22.886 -15.512 1.00 0.00 ATOM 285 CA ALA A 36 46.222 -23.736 -16.678 1.00 0.00 ATOM 286 CB ALA A 36 44.852 -24.388 -16.785 1.00 0.00 ATOM 287 O ALA A 36 47.008 -23.625 -18.933 1.00 0.00 ATOM 288 C ALA A 36 46.431 -23.035 -18.020 1.00 0.00 ATOM 289 N VAL A 37 45.960 -21.758 -18.173 1.00 0.00 ATOM 290 CA VAL A 37 46.082 -21.020 -19.423 1.00 0.00 ATOM 291 CB VAL A 37 44.703 -20.723 -20.042 1.00 0.00 ATOM 292 CG1 VAL A 37 43.982 -22.019 -20.378 1.00 0.00 ATOM 293 CG2 VAL A 37 43.840 -19.933 -19.068 1.00 0.00 ATOM 294 O VAL A 37 47.221 -19.121 -20.290 1.00 0.00 ATOM 295 C VAL A 37 46.775 -19.675 -19.290 1.00 0.00 ATOM 296 N SER A 38 46.962 -19.147 -18.153 1.00 0.00 ATOM 297 CA SER A 38 47.599 -17.844 -17.978 1.00 0.00 ATOM 298 CB SER A 38 46.567 -16.794 -17.566 1.00 0.00 ATOM 299 OG SER A 38 45.912 -17.166 -16.366 1.00 0.00 ATOM 300 O SER A 38 48.847 -16.781 -16.244 1.00 0.00 ATOM 301 C SER A 38 48.681 -17.799 -16.913 1.00 0.00 ATOM 302 N SER A 39 49.425 -18.890 -16.773 1.00 0.00 ATOM 303 CA SER A 39 50.479 -18.965 -15.776 1.00 0.00 ATOM 304 CB SER A 39 51.060 -20.380 -15.711 1.00 0.00 ATOM 305 OG SER A 39 51.708 -20.719 -16.925 1.00 0.00 ATOM 306 O SER A 39 52.165 -17.417 -15.111 1.00 0.00 ATOM 307 C SER A 39 51.653 -18.032 -16.038 1.00 0.00 ATOM 308 N ASP A 40 52.092 -17.934 -17.288 1.00 0.00 ATOM 309 CA ASP A 40 53.234 -17.085 -17.625 1.00 0.00 ATOM 310 CB ASP A 40 54.403 -17.934 -18.131 1.00 0.00 ATOM 311 CG ASP A 40 55.635 -17.106 -18.439 1.00 0.00 ATOM 312 OD1 ASP A 40 55.547 -15.862 -18.367 1.00 0.00 ATOM 313 OD2 ASP A 40 56.687 -17.701 -18.753 1.00 0.00 ATOM 314 O ASP A 40 52.737 -16.458 -19.880 1.00 0.00 ATOM 315 C ASP A 40 52.903 -16.063 -18.718 1.00 0.00 ATOM 316 N ASP A 41 52.748 -14.738 -18.320 1.00 0.00 ATOM 317 CA ASP A 41 52.396 -13.690 -19.294 1.00 0.00 ATOM 318 CB ASP A 41 53.052 -12.295 -18.790 1.00 0.00 ATOM 319 CG ASP A 41 52.561 -11.035 -19.482 1.00 0.00 ATOM 320 OD1 ASP A 41 51.389 -10.967 -19.902 1.00 0.00 ATOM 321 OD2 ASP A 41 53.361 -10.095 -19.603 1.00 0.00 ATOM 322 O ASP A 41 53.045 -13.223 -21.557 1.00 0.00 ATOM 323 C ASP A 41 53.403 -13.593 -20.438 1.00 0.00 ATOM 324 N SER A 42 54.685 -13.903 -20.132 1.00 0.00 ATOM 325 CA SER A 42 55.715 -13.812 -21.150 1.00 0.00 ATOM 326 CB SER A 42 57.045 -14.329 -20.600 1.00 0.00 ATOM 327 OG SER A 42 57.507 -13.516 -19.534 1.00 0.00 ATOM 328 O SER A 42 55.687 -14.344 -23.490 1.00 0.00 ATOM 329 C SER A 42 55.320 -14.692 -22.353 1.00 0.00 ATOM 330 N ILE A 43 54.569 -15.847 -22.078 1.00 0.00 ATOM 331 CA ILE A 43 54.122 -16.721 -23.187 1.00 0.00 ATOM 332 CB ILE A 43 53.805 -18.157 -22.731 1.00 0.00 ATOM 333 CG1 ILE A 43 55.086 -18.873 -22.294 1.00 0.00 ATOM 334 CG2 ILE A 43 53.175 -18.951 -23.866 1.00 0.00 ATOM 335 CD1 ILE A 43 54.840 -20.186 -21.586 1.00 0.00 ATOM 336 O ILE A 43 52.781 -16.136 -25.077 1.00 0.00 ATOM 337 C ILE A 43 52.875 -16.138 -23.848 1.00 0.00 ATOM 338 N LEU A 44 51.942 -15.689 -23.068 1.00 0.00 ATOM 339 CA LEU A 44 50.694 -15.118 -23.562 1.00 0.00 ATOM 340 CB LEU A 44 49.719 -16.237 -23.345 1.00 0.00 ATOM 341 CG LEU A 44 49.589 -16.983 -24.666 1.00 0.00 ATOM 342 CD1 LEU A 44 48.542 -18.118 -24.468 1.00 0.00 ATOM 343 CD2 LEU A 44 49.037 -16.042 -25.790 1.00 0.00 ATOM 344 O LEU A 44 49.836 -14.185 -21.524 1.00 0.00 ATOM 345 C LEU A 44 50.104 -13.993 -22.710 1.00 0.00 ATOM 346 N THR A 45 49.905 -12.824 -23.312 1.00 0.00 ATOM 347 CA THR A 45 49.313 -11.693 -22.611 1.00 0.00 ATOM 348 CB THR A 45 49.279 -10.433 -23.496 1.00 0.00 ATOM 349 CG2 THR A 45 48.613 -9.283 -22.761 1.00 0.00 ATOM 350 OG1 THR A 45 50.618 -10.052 -23.838 1.00 0.00 ATOM 351 O THR A 45 47.487 -11.653 -21.044 1.00 0.00 ATOM 352 C THR A 45 47.881 -11.968 -22.179 1.00 0.00 ATOM 353 N ALA A 46 47.095 -12.581 -23.060 1.00 0.00 ATOM 354 CA ALA A 46 45.713 -12.897 -22.681 1.00 0.00 ATOM 355 CB ALA A 46 44.978 -13.624 -23.746 1.00 0.00 ATOM 356 O ALA A 46 44.905 -13.682 -20.558 1.00 0.00 ATOM 357 C ALA A 46 45.718 -13.840 -21.477 1.00 0.00 ATOM 358 N ALA A 47 46.625 -14.816 -21.481 1.00 0.00 ATOM 359 CA ALA A 47 46.702 -15.749 -20.355 1.00 0.00 ATOM 360 CB ALA A 47 47.771 -16.750 -20.644 1.00 0.00 ATOM 361 O ALA A 47 46.431 -15.241 -18.029 1.00 0.00 ATOM 362 C ALA A 47 47.082 -15.045 -19.060 1.00 0.00 ATOM 363 N LYS A 48 48.097 -14.184 -19.104 1.00 0.00 ATOM 364 CA LYS A 48 48.529 -13.558 -17.859 1.00 0.00 ATOM 365 CB LYS A 48 49.839 -12.795 -18.072 1.00 0.00 ATOM 366 CG LYS A 48 50.416 -12.186 -16.804 1.00 0.00 ATOM 367 CD LYS A 48 50.903 -13.263 -15.848 1.00 0.00 ATOM 368 CE LYS A 48 51.588 -12.654 -14.634 1.00 0.00 ATOM 369 NZ LYS A 48 52.112 -13.698 -13.710 1.00 0.00 ATOM 370 O LYS A 48 47.493 -12.405 -16.052 1.00 0.00 ATOM 371 C LYS A 48 47.547 -12.569 -17.276 1.00 0.00 ATOM 372 N ARG A 49 46.783 -11.887 -18.122 1.00 0.00 ATOM 373 CA ARG A 49 45.806 -10.939 -17.605 1.00 0.00 ATOM 374 CB ARG A 49 44.949 -10.313 -18.650 1.00 0.00 ATOM 375 CG ARG A 49 45.700 -9.264 -19.481 1.00 0.00 ATOM 376 CD ARG A 49 44.724 -8.308 -20.159 1.00 0.00 ATOM 377 NE ARG A 49 43.825 -8.969 -21.100 1.00 0.00 ATOM 378 CZ ARG A 49 44.101 -9.171 -22.386 1.00 0.00 ATOM 379 NH1 ARG A 49 45.263 -8.764 -22.894 1.00 0.00 ATOM 380 NH2 ARG A 49 43.208 -9.764 -23.163 1.00 0.00 ATOM 381 O ARG A 49 44.410 -11.209 -15.677 1.00 0.00 ATOM 382 C ARG A 49 44.806 -11.688 -16.736 1.00 0.00 ATOM 383 N GLU A 50 44.398 -12.866 -17.195 1.00 0.00 ATOM 384 CA GLU A 50 43.464 -13.696 -16.449 1.00 0.00 ATOM 385 CB GLU A 50 43.041 -14.924 -17.178 1.00 0.00 ATOM 386 CG GLU A 50 41.805 -15.572 -16.562 1.00 0.00 ATOM 387 CD GLU A 50 41.207 -16.668 -17.422 1.00 0.00 ATOM 388 OE1 GLU A 50 41.435 -16.663 -18.655 1.00 0.00 ATOM 389 OE2 GLU A 50 40.485 -17.523 -16.868 1.00 0.00 ATOM 390 O GLU A 50 43.383 -14.007 -14.063 1.00 0.00 ATOM 391 C GLU A 50 44.060 -14.099 -15.091 1.00 0.00 ATOM 392 N SER A 51 45.296 -14.605 -15.103 1.00 0.00 ATOM 393 CA SER A 51 45.973 -15.004 -13.868 1.00 0.00 ATOM 394 CB SER A 51 47.367 -15.552 -14.176 1.00 0.00 ATOM 395 OG SER A 51 48.204 -14.545 -14.716 1.00 0.00 ATOM 396 O SER A 51 46.011 -13.908 -11.728 1.00 0.00 ATOM 397 C SER A 51 46.125 -13.796 -12.956 1.00 0.00 ATOM 398 N ILE A 52 46.371 -12.655 -13.549 1.00 0.00 ATOM 399 CA ILE A 52 46.482 -11.426 -12.754 1.00 0.00 ATOM 400 CB ILE A 52 46.802 -10.208 -13.641 1.00 0.00 ATOM 401 CG1 ILE A 52 48.216 -10.323 -14.215 1.00 0.00 ATOM 402 CG2 ILE A 52 46.713 -8.923 -12.833 1.00 0.00 ATOM 403 CD1 ILE A 52 48.515 -9.317 -15.305 1.00 0.00 ATOM 404 O ILE A 52 45.140 -10.849 -10.853 1.00 0.00 ATOM 405 C ILE A 52 45.165 -11.160 -12.042 1.00 0.00 ATOM 406 N ILE A 53 44.057 -11.289 -12.755 1.00 0.00 ATOM 407 CA ILE A 53 42.750 -11.051 -12.155 1.00 0.00 ATOM 408 CB ILE A 53 41.626 -11.045 -13.217 1.00 0.00 ATOM 409 CG1 ILE A 53 41.899 -9.939 -14.247 1.00 0.00 ATOM 410 CG2 ILE A 53 40.270 -10.822 -12.576 1.00 0.00 ATOM 411 CD1 ILE A 53 42.171 -8.569 -13.632 1.00 0.00 ATOM 412 O ILE A 53 41.908 -11.755 -9.986 1.00 0.00 ATOM 413 C ILE A 53 42.474 -12.070 -11.048 1.00 0.00 ATOM 414 N VAL A 54 42.883 -13.270 -11.323 1.00 0.00 ATOM 415 CA VAL A 54 42.724 -14.335 -10.348 1.00 0.00 ATOM 416 CB VAL A 54 43.202 -15.688 -10.909 1.00 0.00 ATOM 417 CG1 VAL A 54 43.148 -16.761 -9.833 1.00 0.00 ATOM 418 CG2 VAL A 54 42.322 -16.124 -12.069 1.00 0.00 ATOM 419 O VAL A 54 43.003 -14.259 -7.965 1.00 0.00 ATOM 420 C VAL A 54 43.498 -14.036 -9.070 1.00 0.00 ATOM 421 N SER A 55 44.718 -13.532 -9.226 1.00 0.00 ATOM 422 CA SER A 55 45.539 -13.202 -8.071 1.00 0.00 ATOM 423 CB SER A 55 46.922 -12.724 -8.517 1.00 0.00 ATOM 424 OG SER A 55 47.646 -13.769 -9.143 1.00 0.00 ATOM 425 O SER A 55 44.841 -12.146 -6.030 1.00 0.00 ATOM 426 C SER A 55 44.863 -12.099 -7.262 1.00 0.00 ATOM 427 N SER A 56 44.340 -11.094 -7.956 1.00 0.00 ATOM 428 CA SER A 56 43.664 -9.986 -7.296 1.00 0.00 ATOM 429 CB SER A 56 43.209 -8.947 -8.325 1.00 0.00 ATOM 430 OG SER A 56 44.321 -8.335 -8.955 1.00 0.00 ATOM 431 O SER A 56 42.170 -10.033 -5.419 1.00 0.00 ATOM 432 C SER A 56 42.439 -10.480 -6.536 1.00 0.00 ATOM 433 N SER A 57 41.665 -11.355 -7.169 1.00 0.00 ATOM 434 CA SER A 57 40.472 -11.906 -6.542 1.00 0.00 ATOM 435 CB SER A 57 39.791 -12.912 -7.473 1.00 0.00 ATOM 436 OG SER A 57 39.287 -12.271 -8.631 1.00 0.00 ATOM 437 O SER A 57 40.137 -12.508 -4.258 1.00 0.00 ATOM 438 C SER A 57 40.842 -12.607 -5.258 1.00 0.00 ATOM 439 N ARG A 58 41.940 -13.353 -5.288 1.00 0.00 ATOM 440 CA ARG A 58 42.388 -14.081 -4.090 1.00 0.00 ATOM 441 CB ARG A 58 43.681 -14.847 -4.376 1.00 0.00 ATOM 442 CG ARG A 58 44.203 -15.646 -3.191 1.00 0.00 ATOM 443 CD ARG A 58 45.420 -16.470 -3.576 1.00 0.00 ATOM 444 NE ARG A 58 45.961 -17.213 -2.440 1.00 0.00 ATOM 445 CZ ARG A 58 47.052 -17.970 -2.493 1.00 0.00 ATOM 446 NH1 ARG A 58 47.470 -18.608 -1.409 1.00 0.00 ATOM 447 NH2 ARG A 58 47.722 -18.089 -3.631 1.00 0.00 ATOM 448 O ARG A 58 42.157 -13.268 -1.844 1.00 0.00 ATOM 449 C ARG A 58 42.636 -13.079 -2.963 1.00 0.00 ATOM 450 N ALA A 59 43.324 -11.986 -3.273 1.00 0.00 ATOM 451 CA ALA A 59 43.611 -10.966 -2.257 1.00 0.00 ATOM 452 CB ALA A 59 44.571 -9.925 -2.811 1.00 0.00 ATOM 453 O ALA A 59 42.108 -10.085 -0.607 1.00 0.00 ATOM 454 C ALA A 59 42.329 -10.282 -1.803 1.00 0.00 ATOM 455 N LEU A 60 41.452 -9.962 -2.749 1.00 0.00 ATOM 456 CA LEU A 60 40.170 -9.382 -2.402 1.00 0.00 ATOM 457 CB LEU A 60 39.415 -8.961 -3.666 1.00 0.00 ATOM 458 CG LEU A 60 40.012 -7.793 -4.455 1.00 0.00 ATOM 459 CD1 LEU A 60 39.271 -7.599 -5.768 1.00 0.00 ATOM 460 CD2 LEU A 60 39.915 -6.502 -3.658 1.00 0.00 ATOM 461 O LEU A 60 38.753 -9.988 -0.570 1.00 0.00 ATOM 462 C LEU A 60 39.335 -10.362 -1.584 1.00 0.00 ATOM 463 N GLY A 61 39.286 -11.635 -2.009 1.00 0.00 ATOM 464 CA GLY A 61 38.517 -12.634 -1.281 1.00 0.00 ATOM 465 O GLY A 61 38.182 -12.940 1.078 1.00 0.00 ATOM 466 C GLY A 61 38.988 -12.799 0.159 1.00 0.00 ATOM 467 N ALA A 62 40.308 -12.832 0.338 1.00 0.00 ATOM 468 CA ALA A 62 40.885 -13.008 1.669 1.00 0.00 ATOM 469 CB ALA A 62 42.403 -13.053 1.588 1.00 0.00 ATOM 470 O ALA A 62 40.105 -12.130 3.763 1.00 0.00 ATOM 471 C ALA A 62 40.466 -11.883 2.613 1.00 0.00 ATOM 472 N VAL A 63 40.544 -10.643 2.137 1.00 0.00 ATOM 473 CA VAL A 63 40.158 -9.495 2.953 1.00 0.00 ATOM 474 CB VAL A 63 40.429 -8.154 2.247 1.00 0.00 ATOM 475 CG1 VAL A 63 39.864 -7.000 3.059 1.00 0.00 ATOM 476 CG2 VAL A 63 41.924 -7.936 2.074 1.00 0.00 ATOM 477 O VAL A 63 38.293 -9.369 4.460 1.00 0.00 ATOM 478 C VAL A 63 38.679 -9.578 3.312 1.00 0.00 ATOM 479 N ALA A 64 37.845 -9.884 2.323 1.00 0.00 ATOM 480 CA ALA A 64 36.406 -9.998 2.534 1.00 0.00 ATOM 481 CB ALA A 64 35.704 -10.281 1.210 1.00 0.00 ATOM 482 O ALA A 64 35.261 -10.961 4.427 1.00 0.00 ATOM 483 C ALA A 64 36.107 -11.108 3.547 1.00 0.00 ATOM 484 N MET A 65 36.838 -12.205 3.423 1.00 0.00 ATOM 485 CA MET A 65 36.675 -13.354 4.297 1.00 0.00 ATOM 486 CB MET A 65 37.614 -14.486 3.871 1.00 0.00 ATOM 487 CG MET A 65 37.525 -15.727 4.746 1.00 0.00 ATOM 488 SD MET A 65 38.695 -17.009 4.254 1.00 0.00 ATOM 489 CE MET A 65 40.240 -16.285 4.804 1.00 0.00 ATOM 490 O MET A 65 36.256 -13.286 6.663 1.00 0.00 ATOM 491 C MET A 65 37.017 -13.001 5.740 1.00 0.00 ATOM 492 N ARG A 66 38.185 -12.370 5.949 1.00 0.00 ATOM 493 CA ARG A 66 38.629 -11.990 7.288 1.00 0.00 ATOM 494 CB ARG A 66 39.983 -11.282 7.204 1.00 0.00 ATOM 495 CG ARG A 66 41.142 -12.198 6.851 1.00 0.00 ATOM 496 CD ARG A 66 42.445 -11.423 6.740 1.00 0.00 ATOM 497 NE ARG A 66 43.561 -12.283 6.352 1.00 0.00 ATOM 498 CZ ARG A 66 44.797 -11.848 6.132 1.00 0.00 ATOM 499 NH1 ARG A 66 45.749 -12.702 5.782 1.00 0.00 ATOM 500 NH2 ARG A 66 45.078 -10.559 6.260 1.00 0.00 ATOM 501 O ARG A 66 37.221 -11.284 9.083 1.00 0.00 ATOM 502 C ARG A 66 37.638 -11.042 7.958 1.00 0.00 ATOM 503 N LYS A 67 37.222 -10.012 7.237 1.00 0.00 ATOM 504 CA LYS A 67 36.279 -9.069 7.781 1.00 0.00 ATOM 505 CB LYS A 67 36.034 -7.927 6.793 1.00 0.00 ATOM 506 CG LYS A 67 37.225 -7.002 6.606 1.00 0.00 ATOM 507 CD LYS A 67 36.914 -5.900 5.606 1.00 0.00 ATOM 508 CE LYS A 67 38.120 -5.003 5.380 1.00 0.00 ATOM 509 NZ LYS A 67 37.838 -3.927 4.390 1.00 0.00 ATOM 510 O LYS A 67 34.283 -9.366 9.101 1.00 0.00 ATOM 511 C LYS A 67 34.902 -9.688 8.084 1.00 0.00 ATOM 512 N ILE A 68 34.403 -10.503 7.158 1.00 0.00 ATOM 513 CA ILE A 68 33.092 -11.130 7.283 1.00 0.00 ATOM 514 CB ILE A 68 32.714 -11.924 6.028 1.00 0.00 ATOM 515 CG1 ILE A 68 32.384 -10.960 4.881 1.00 0.00 ATOM 516 CG2 ILE A 68 31.527 -12.861 6.314 1.00 0.00 ATOM 517 CD1 ILE A 68 32.201 -11.624 3.532 1.00 0.00 ATOM 518 O ILE A 68 32.165 -11.962 9.336 1.00 0.00 ATOM 519 C ILE A 68 33.079 -12.026 8.510 1.00 0.00 ATOM 520 N GLU A 69 34.099 -12.864 8.624 1.00 0.00 ATOM 521 CA GLU A 69 34.178 -13.774 9.751 1.00 0.00 ATOM 522 CB GLU A 69 35.216 -14.900 9.348 1.00 0.00 ATOM 523 CG GLU A 69 35.305 -16.046 10.355 1.00 0.00 ATOM 524 CD GLU A 69 36.108 -17.229 9.843 1.00 0.00 ATOM 525 OE1 GLU A 69 37.029 -17.009 9.028 1.00 0.00 ATOM 526 OE2 GLU A 69 35.826 -18.372 10.267 1.00 0.00 ATOM 527 O GLU A 69 33.908 -13.653 12.135 1.00 0.00 ATOM 528 C GLU A 69 34.309 -13.094 11.113 1.00 0.00 ATOM 529 N ALA A 70 34.872 -11.858 11.137 1.00 0.00 ATOM 530 CA ALA A 70 35.038 -11.113 12.382 1.00 0.00 ATOM 531 CB ALA A 70 36.196 -10.135 12.256 1.00 0.00 ATOM 532 O ALA A 70 33.270 -10.377 13.826 1.00 0.00 ATOM 533 C ALA A 70 33.781 -10.320 12.713 1.00 0.00 ATOM 534 N LYS A 71 33.287 -9.579 11.730 1.00 0.00 ATOM 535 CA LYS A 71 32.090 -8.770 11.901 1.00 0.00 ATOM 536 CB LYS A 71 31.803 -7.962 10.634 1.00 0.00 ATOM 537 CG LYS A 71 32.792 -6.837 10.378 1.00 0.00 ATOM 538 CD LYS A 71 32.451 -6.078 9.106 1.00 0.00 ATOM 539 CE LYS A 71 33.454 -4.970 8.837 1.00 0.00 ATOM 540 NZ LYS A 71 33.154 -4.241 7.575 1.00 0.00 ATOM 541 O LYS A 71 30.102 -9.363 13.077 1.00 0.00 ATOM 542 C LYS A 71 30.901 -9.663 12.181 1.00 0.00 ATOM 543 N VAL A 72 30.767 -10.742 11.423 1.00 0.00 ATOM 544 CA VAL A 72 29.693 -11.673 11.650 1.00 0.00 ATOM 545 CB VAL A 72 29.673 -12.736 10.485 1.00 0.00 ATOM 546 CG1 VAL A 72 28.696 -13.838 10.811 1.00 0.00 ATOM 547 CG2 VAL A 72 29.309 -12.054 9.169 1.00 0.00 ATOM 548 O VAL A 72 28.781 -12.396 13.757 1.00 0.00 ATOM 549 C VAL A 72 29.781 -12.307 13.035 1.00 0.00 ATOM 550 N ARG A 73 30.997 -12.753 13.363 1.00 0.00 ATOM 551 CA ARG A 73 31.236 -13.369 14.690 1.00 0.00 ATOM 552 CB ARG A 73 32.670 -13.642 14.946 1.00 0.00 ATOM 553 CG ARG A 73 32.995 -14.222 16.357 1.00 0.00 ATOM 554 CD ARG A 73 34.471 -14.649 16.375 1.00 0.00 ATOM 555 NE ARG A 73 35.322 -13.455 16.459 1.00 0.00 ATOM 556 CZ ARG A 73 36.185 -13.042 15.536 1.00 0.00 ATOM 557 NH1 ARG A 73 36.888 -11.944 15.809 1.00 0.00 ATOM 558 NH2 ARG A 73 36.387 -13.686 14.380 1.00 0.00 ATOM 559 O ARG A 73 30.137 -12.805 16.752 1.00 0.00 ATOM 560 C ARG A 73 30.833 -12.418 15.813 1.00 0.00 ATOM 561 N SER A 74 31.268 -11.141 15.723 1.00 0.00 ATOM 562 CA SER A 74 30.960 -10.129 16.727 1.00 0.00 ATOM 563 CB SER A 74 31.693 -8.817 16.442 1.00 0.00 ATOM 564 OG SER A 74 33.096 -8.985 16.538 1.00 0.00 ATOM 565 O SER A 74 28.891 -9.762 17.901 1.00 0.00 ATOM 566 C SER A 74 29.463 -9.834 16.808 1.00 0.00 ATOM 567 N ARG A 75 28.816 -9.651 15.635 1.00 0.00 ATOM 568 CA ARG A 75 27.387 -9.351 15.603 1.00 0.00 ATOM 569 CB ARG A 75 26.914 -9.167 14.159 1.00 0.00 ATOM 570 CG ARG A 75 27.408 -7.886 13.505 1.00 0.00 ATOM 571 CD ARG A 75 26.962 -7.803 12.055 1.00 0.00 ATOM 572 NE ARG A 75 27.453 -6.591 11.400 1.00 0.00 ATOM 573 CZ ARG A 75 27.269 -6.308 10.114 1.00 0.00 ATOM 574 NH1 ARG A 75 27.748 -5.182 9.607 1.00 0.00 ATOM 575 NH2 ARG A 75 26.604 -7.155 9.339 1.00 0.00 ATOM 576 O ARG A 75 25.708 -10.289 17.075 1.00 0.00 ATOM 577 C ARG A 75 26.608 -10.508 16.262 1.00 0.00 ATOM 578 N ALA A 76 26.977 -11.722 15.888 1.00 0.00 ATOM 579 CA ALA A 76 26.314 -12.909 16.417 1.00 0.00 ATOM 580 CB ALA A 76 26.836 -14.163 15.733 1.00 0.00 ATOM 581 O ALA A 76 25.600 -13.260 18.686 1.00 0.00 ATOM 582 C ALA A 76 26.551 -13.044 17.907 1.00 0.00 ATOM 583 N ALA A 77 27.778 -12.917 18.346 1.00 0.00 ATOM 584 CA ALA A 77 28.111 -12.979 19.766 1.00 0.00 ATOM 585 CB ALA A 77 29.529 -12.709 19.987 1.00 0.00 ATOM 586 O ALA A 77 26.907 -12.154 21.653 1.00 0.00 ATOM 587 C ALA A 77 27.394 -11.889 20.573 1.00 0.00 ATOM 588 N LYS A 78 27.399 -10.677 20.016 1.00 0.00 ATOM 589 CA LYS A 78 26.756 -9.571 20.711 1.00 0.00 ATOM 590 CB LYS A 78 26.966 -8.263 19.945 1.00 0.00 ATOM 591 CG LYS A 78 28.391 -7.738 19.991 1.00 0.00 ATOM 592 CD LYS A 78 28.526 -6.438 19.215 1.00 0.00 ATOM 593 CE LYS A 78 29.956 -5.925 19.239 1.00 0.00 ATOM 594 NZ LYS A 78 30.111 -4.671 18.454 1.00 0.00 ATOM 595 O LYS A 78 24.665 -9.455 21.884 1.00 0.00 ATOM 596 C LYS A 78 25.261 -9.779 20.849 1.00 0.00 ATOM 597 N ALA A 79 24.596 -10.290 19.837 1.00 0.00 ATOM 598 CA ALA A 79 23.143 -10.498 19.904 1.00 0.00 ATOM 599 CB ALA A 79 22.630 -10.903 18.509 1.00 0.00 ATOM 600 O ALA A 79 21.816 -11.339 21.725 1.00 0.00 ATOM 601 C ALA A 79 22.822 -11.486 21.021 1.00 0.00 ATOM 602 N VAL A 80 23.631 -12.535 21.181 1.00 0.00 ATOM 603 CA VAL A 80 23.364 -13.546 22.198 1.00 0.00 ATOM 604 CB VAL A 80 23.185 -14.943 21.573 1.00 0.00 ATOM 605 CG1 VAL A 80 21.992 -14.954 20.629 1.00 0.00 ATOM 606 CG2 VAL A 80 24.424 -15.336 20.785 1.00 0.00 ATOM 607 O VAL A 80 25.628 -13.161 22.919 1.00 0.00 ATOM 608 C VAL A 80 24.518 -13.629 23.192 1.00 0.00 ATOM 609 N THR A 81 24.235 -14.279 24.318 1.00 0.00 ATOM 610 CA THR A 81 25.254 -14.439 25.381 1.00 0.00 ATOM 611 CB THR A 81 24.598 -14.868 26.689 1.00 0.00 ATOM 612 CG2 THR A 81 23.681 -13.766 27.190 1.00 0.00 ATOM 613 OG1 THR A 81 23.825 -16.069 26.484 1.00 0.00 ATOM 614 O THR A 81 26.138 -16.116 23.904 1.00 0.00 ATOM 615 C THR A 81 26.223 -15.557 25.002 1.00 0.00 ATOM 616 N GLU A 82 27.076 -15.921 25.940 1.00 0.00 ATOM 617 CA GLU A 82 28.003 -17.038 25.740 1.00 0.00 ATOM 618 CB GLU A 82 28.872 -17.270 26.979 1.00 0.00 ATOM 619 CG GLU A 82 29.863 -18.411 26.836 1.00 0.00 ATOM 620 CD GLU A 82 30.732 -18.585 28.066 1.00 0.00 ATOM 621 OE1 GLU A 82 30.583 -17.789 29.016 1.00 0.00 ATOM 622 OE2 GLU A 82 31.564 -19.517 28.079 1.00 0.00 ATOM 623 O GLU A 82 27.686 -19.050 24.578 1.00 0.00 ATOM 624 C GLU A 82 27.276 -18.327 25.478 1.00 0.00 ATOM 625 N GLN A 83 26.211 -18.658 26.168 1.00 0.00 ATOM 626 CA GLN A 83 25.519 -19.865 25.834 1.00 0.00 ATOM 627 CB GLN A 83 24.113 -19.759 26.797 1.00 0.00 ATOM 628 CG GLN A 83 24.200 -19.086 28.152 1.00 0.00 ATOM 629 CD GLN A 83 24.930 -19.938 29.170 1.00 0.00 ATOM 630 OE1 GLN A 83 24.516 -21.059 29.476 1.00 0.00 ATOM 631 NE2 GLN A 83 26.025 -19.409 29.698 1.00 0.00 ATOM 632 O GLN A 83 24.911 -20.611 23.725 1.00 0.00 ATOM 633 C GLN A 83 24.826 -19.685 24.526 1.00 0.00 ATOM 634 N GLU A 84 24.226 -18.540 24.220 1.00 0.00 ATOM 635 CA GLU A 84 23.543 -18.411 22.936 1.00 0.00 ATOM 636 CB GLU A 84 22.686 -17.099 22.938 1.00 0.00 ATOM 637 CG GLU A 84 21.442 -17.200 23.819 1.00 0.00 ATOM 638 CD GLU A 84 20.744 -15.877 24.056 1.00 0.00 ATOM 639 OE1 GLU A 84 19.583 -15.902 24.520 1.00 0.00 ATOM 640 OE2 GLU A 84 21.343 -14.815 23.796 1.00 0.00 ATOM 641 O GLU A 84 24.183 -19.302 20.873 1.00 0.00 ATOM 642 C GLU A 84 24.511 -18.559 21.793 1.00 0.00 ATOM 643 N LEU A 85 25.738 -18.006 21.937 1.00 0.00 ATOM 644 CA LEU A 85 26.824 -18.107 20.963 1.00 0.00 ATOM 645 CB LEU A 85 27.949 -17.133 21.323 1.00 0.00 ATOM 646 CG LEU A 85 29.109 -17.045 20.329 1.00 0.00 ATOM 647 CD1 LEU A 85 28.616 -16.590 18.964 1.00 0.00 ATOM 648 CD2 LEU A 85 30.154 -16.050 20.812 1.00 0.00 ATOM 649 O LEU A 85 27.718 -19.904 19.741 1.00 0.00 ATOM 650 C LEU A 85 27.424 -19.498 20.879 1.00 0.00 ATOM 651 N THR A 86 27.669 -20.253 21.964 1.00 0.00 ATOM 652 CA THR A 86 28.176 -21.592 21.775 1.00 0.00 ATOM 653 CB THR A 86 28.372 -22.316 23.121 1.00 0.00 ATOM 654 CG2 THR A 86 28.867 -23.735 22.894 1.00 0.00 ATOM 655 OG1 THR A 86 29.336 -21.608 23.909 1.00 0.00 ATOM 656 O THR A 86 27.559 -23.059 19.949 1.00 0.00 ATOM 657 C THR A 86 27.203 -22.418 20.944 1.00 0.00 ATOM 658 N SER A 87 25.963 -22.290 21.294 1.00 0.00 ATOM 659 CA SER A 87 24.937 -23.053 20.562 1.00 0.00 ATOM 660 CB SER A 87 23.580 -22.831 21.230 1.00 0.00 ATOM 661 OG SER A 87 23.563 -23.364 22.543 1.00 0.00 ATOM 662 O SER A 87 24.599 -23.346 18.205 1.00 0.00 ATOM 663 C SER A 87 24.779 -22.555 19.121 1.00 0.00 ATOM 664 N LEU A 88 24.854 -21.270 18.929 1.00 0.00 ATOM 665 CA LEU A 88 24.752 -20.701 17.598 1.00 0.00 ATOM 666 CB LEU A 88 24.886 -19.189 17.638 1.00 0.00 ATOM 667 CG LEU A 88 24.557 -18.413 16.359 1.00 0.00 ATOM 668 CD1 LEU A 88 23.166 -18.782 15.869 1.00 0.00 ATOM 669 CD2 LEU A 88 24.648 -16.919 16.640 1.00 0.00 ATOM 670 O LEU A 88 25.682 -21.570 15.567 1.00 0.00 ATOM 671 C LEU A 88 25.899 -21.144 16.704 1.00 0.00 ATOM 672 N LEU A 89 27.120 -21.071 17.225 1.00 0.00 ATOM 673 CA LEU A 89 28.274 -21.476 16.437 1.00 0.00 ATOM 674 CB LEU A 89 29.545 -21.404 17.222 1.00 0.00 ATOM 675 CG LEU A 89 30.834 -21.453 16.401 1.00 0.00 ATOM 676 CD1 LEU A 89 30.908 -20.221 15.506 1.00 0.00 ATOM 677 CD2 LEU A 89 32.037 -21.506 17.337 1.00 0.00 ATOM 678 O LEU A 89 28.422 -23.347 14.941 1.00 0.00 ATOM 679 C LEU A 89 28.163 -22.961 16.081 1.00 0.00 ATOM 680 N GLN A 90 27.773 -23.784 17.040 1.00 0.00 ATOM 681 CA GLN A 90 27.641 -25.221 16.784 1.00 0.00 ATOM 682 CB GLN A 90 27.215 -25.967 18.052 1.00 0.00 ATOM 683 CG GLN A 90 28.227 -25.883 19.185 1.00 0.00 ATOM 684 CD GLN A 90 29.252 -26.990 19.145 1.00 0.00 ATOM 685 OE1 GLN A 90 29.739 -27.367 18.081 1.00 0.00 ATOM 686 NE2 GLN A 90 29.595 -27.518 20.316 1.00 0.00 ATOM 687 O GLN A 90 26.774 -26.125 14.740 1.00 0.00 ATOM 688 C GLN A 90 26.542 -25.473 15.758 1.00 0.00 ATOM 689 N SER A 91 25.338 -24.933 15.978 1.00 0.00 ATOM 690 CA SER A 91 24.215 -25.110 15.064 1.00 0.00 ATOM 691 CB SER A 91 22.982 -24.474 15.710 1.00 0.00 ATOM 692 OG SER A 91 22.610 -25.166 16.890 1.00 0.00 ATOM 693 O SER A 91 23.973 -24.928 12.690 1.00 0.00 ATOM 694 C SER A 91 24.431 -24.447 13.719 1.00 0.00 ATOM 695 N LEU A 92 25.116 -23.313 13.731 1.00 0.00 ATOM 696 CA LEU A 92 25.376 -22.571 12.497 1.00 0.00 ATOM 697 CB LEU A 92 26.005 -21.204 12.798 1.00 0.00 ATOM 698 CG LEU A 92 25.059 -20.176 13.380 1.00 0.00 ATOM 699 CD1 LEU A 92 25.859 -19.044 14.005 1.00 0.00 ATOM 700 CD2 LEU A 92 24.107 -19.635 12.314 1.00 0.00 ATOM 701 O LEU A 92 26.002 -23.407 10.325 1.00 0.00 ATOM 702 C LEU A 92 26.286 -23.324 11.520 1.00 0.00 ATOM 703 N THR A 93 27.587 -23.726 11.977 1.00 0.00 ATOM 704 CA THR A 93 28.684 -24.182 11.165 1.00 0.00 ATOM 705 CB THR A 93 28.196 -24.717 9.804 1.00 0.00 ATOM 706 CG2 THR A 93 27.244 -25.887 10.005 1.00 0.00 ATOM 707 OG1 THR A 93 27.510 -23.676 9.097 1.00 0.00 ATOM 708 O THR A 93 30.654 -23.435 10.100 1.00 0.00 ATOM 709 C THR A 93 29.730 -23.142 10.838 1.00 0.00 ATOM 710 N LEU A 94 29.675 -21.993 11.505 1.00 0.00 ATOM 711 CA LEU A 94 30.719 -20.999 11.357 1.00 0.00 ATOM 712 CB LEU A 94 30.148 -19.594 11.558 1.00 0.00 ATOM 713 CG LEU A 94 29.028 -19.175 10.602 1.00 0.00 ATOM 714 CD1 LEU A 94 28.503 -17.794 10.963 1.00 0.00 ATOM 715 CD2 LEU A 94 29.530 -19.134 9.168 1.00 0.00 ATOM 716 O LEU A 94 31.643 -21.862 13.403 1.00 0.00 ATOM 717 C LEU A 94 31.836 -21.217 12.383 1.00 0.00 ATOM 718 N ARG A 95 32.994 -20.626 12.094 1.00 0.00 ATOM 719 CA ARG A 95 34.205 -20.709 12.923 1.00 0.00 ATOM 720 CB ARG A 95 35.400 -21.132 12.063 1.00 0.00 ATOM 721 CG ARG A 95 36.726 -21.145 12.830 1.00 0.00 ATOM 722 CD ARG A 95 37.688 -22.236 12.343 1.00 0.00 ATOM 723 NE ARG A 95 37.684 -22.396 10.894 1.00 0.00 ATOM 724 CZ ARG A 95 36.967 -23.307 10.240 1.00 0.00 ATOM 725 NH1 ARG A 95 36.186 -24.149 10.911 1.00 0.00 ATOM 726 NH2 ARG A 95 37.034 -23.390 8.913 1.00 0.00 ATOM 727 O ARG A 95 34.606 -18.368 12.602 1.00 0.00 ATOM 728 C ARG A 95 34.558 -19.302 13.420 1.00 0.00 ATOM 729 N VAL A 96 34.676 -19.158 14.728 1.00 0.00 ATOM 730 CA VAL A 96 34.885 -17.835 15.315 1.00 0.00 ATOM 731 CB VAL A 96 34.010 -17.657 16.565 1.00 0.00 ATOM 732 CG1 VAL A 96 34.464 -16.429 17.345 1.00 0.00 ATOM 733 CG2 VAL A 96 32.556 -17.500 16.145 1.00 0.00 ATOM 734 O VAL A 96 36.808 -18.593 16.492 1.00 0.00 ATOM 735 C VAL A 96 36.337 -17.741 15.751 1.00 0.00 ATOM 736 N ASP A 97 36.995 -16.679 15.261 1.00 0.00 ATOM 737 CA ASP A 97 38.405 -16.456 15.629 1.00 0.00 ATOM 738 CB ASP A 97 38.912 -15.143 15.030 1.00 0.00 ATOM 739 CG ASP A 97 39.116 -15.226 13.530 1.00 0.00 ATOM 740 OD1 ASP A 97 39.096 -16.351 12.990 1.00 0.00 ATOM 741 OD2 ASP A 97 39.294 -14.165 12.895 1.00 0.00 ATOM 742 O ASP A 97 39.476 -16.980 17.734 1.00 0.00 ATOM 743 C ASP A 97 38.568 -16.383 17.135 1.00 0.00 ATOM 744 N VAL A 98 37.723 -15.524 17.849 1.00 0.00 ATOM 745 CA VAL A 98 37.860 -15.308 19.274 1.00 0.00 ATOM 746 CB VAL A 98 36.892 -14.221 19.776 1.00 0.00 ATOM 747 CG1 VAL A 98 36.911 -14.152 21.297 1.00 0.00 ATOM 748 CG2 VAL A 98 37.288 -12.860 19.228 1.00 0.00 ATOM 749 O VAL A 98 38.261 -16.880 21.029 1.00 0.00 ATOM 750 C VAL A 98 37.560 -16.570 20.065 1.00 0.00 ATOM 751 N SER A 99 36.500 -17.295 19.686 1.00 0.00 ATOM 752 CA SER A 99 36.150 -18.531 20.379 1.00 0.00 ATOM 753 CB SER A 99 34.876 -19.161 19.869 1.00 0.00 ATOM 754 OG SER A 99 34.931 -19.470 18.487 1.00 0.00 ATOM 755 O SER A 99 37.754 -20.112 21.243 1.00 0.00 ATOM 756 C SER A 99 37.341 -19.501 20.249 1.00 0.00 ATOM 757 N MET A 100 37.881 -19.609 19.045 1.00 0.00 ATOM 758 CA MET A 100 38.977 -20.545 18.843 1.00 0.00 ATOM 759 CB MET A 100 39.296 -20.761 17.382 1.00 0.00 ATOM 760 CG MET A 100 38.207 -21.510 16.637 1.00 0.00 ATOM 761 SD MET A 100 37.902 -23.317 17.332 1.00 0.00 ATOM 762 CE MET A 100 36.274 -22.998 18.384 1.00 0.00 ATOM 763 O MET A 100 41.001 -20.901 20.081 1.00 0.00 ATOM 764 C MET A 100 40.237 -20.077 19.599 1.00 0.00 ATOM 765 N GLU A 101 40.400 -18.761 19.767 1.00 0.00 ATOM 766 CA GLU A 101 41.501 -18.251 20.588 1.00 0.00 ATOM 767 CB GLU A 101 41.602 -16.735 20.466 1.00 0.00 ATOM 768 CG GLU A 101 42.738 -16.133 21.275 1.00 0.00 ATOM 769 CD GLU A 101 44.101 -16.624 20.823 1.00 0.00 ATOM 770 OE1 GLU A 101 44.448 -16.410 19.640 1.00 0.00 ATOM 771 OE2 GLU A 101 44.828 -17.224 21.647 1.00 0.00 ATOM 772 O GLU A 101 42.233 -19.087 22.722 1.00 0.00 ATOM 773 C GLU A 101 41.281 -18.689 22.034 1.00 0.00 ATOM 774 N GLU A 102 40.055 -18.660 22.538 1.00 0.00 ATOM 775 CA GLU A 102 39.765 -19.099 23.913 1.00 0.00 ATOM 776 CB GLU A 102 38.999 -18.013 24.672 1.00 0.00 ATOM 777 CG GLU A 102 39.825 -16.774 24.983 1.00 0.00 ATOM 778 CD GLU A 102 38.980 -15.631 25.511 1.00 0.00 ATOM 779 OE1 GLU A 102 37.746 -15.792 25.596 1.00 0.00 ATOM 780 OE2 GLU A 102 39.556 -14.572 25.841 1.00 0.00 ATOM 781 O GLU A 102 39.295 -21.348 23.292 1.00 0.00 ATOM 782 C GLU A 102 38.922 -20.357 23.927 1.00 0.00 ENDMDL EXPDTA 2h3rA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h3rA ATOM 1 N ASP 7 35.692 2.031 -10.512 1.00 0.00 ATOM 2 CA ASP 7 35.341 1.251 -9.337 1.00 0.00 ATOM 3 CB ASP 7 35.229 -0.210 -9.680 1.00 0.00 ATOM 4 CG ASP 7 34.996 -0.439 -11.145 1.00 0.00 ATOM 5 OD1 ASP 7 34.596 0.525 -11.853 1.00 0.00 ATOM 6 OD2 ASP 7 35.175 -1.548 -11.663 1.00 0.00 ATOM 7 O ASP 7 37.217 2.234 -8.308 1.00 0.00 ATOM 8 C ASP 7 36.352 1.392 -8.249 1.00 0.00 ATOM 9 N LYS 8 36.215 0.610 -7.186 1.00 0.00 ATOM 10 CA LYS 8 37.124 0.788 -6.058 1.00 0.00 ATOM 11 CB LYS 8 36.474 1.766 -5.083 1.00 0.00 ATOM 12 CG LYS 8 35.227 2.447 -5.678 1.00 0.00 ATOM 13 CD LYS 8 34.264 2.931 -4.592 1.00 0.00 ATOM 14 CE LYS 8 32.956 3.436 -5.177 1.00 0.00 ATOM 15 NZ LYS 8 31.901 3.516 -4.129 1.00 0.00 ATOM 16 O LYS 8 38.604 -0.967 -5.351 1.00 0.00 ATOM 17 C LYS 8 37.457 -0.496 -5.329 1.00 0.00 ATOM 18 N THR 9 36.447 -1.038 -4.655 1.00 0.00 ATOM 19 CA THR 9 36.597 -2.278 -3.905 1.00 0.00 ATOM 20 CB THR 9 35.225 -2.893 -3.573 1.00 0.00 ATOM 21 CG2 THR 9 34.859 -3.944 -4.619 1.00 0.00 ATOM 22 OG1 THR 9 35.264 -3.499 -2.273 1.00 0.00 ATOM 23 O THR 9 37.240 -3.194 -6.030 1.00 0.00 ATOM 24 C THR 9 37.363 -3.250 -4.797 1.00 0.00 ATOM 25 N TYR 10 38.156 -4.123 -4.179 1.00 0.00 ATOM 26 CA TYR 10 38.924 -5.108 -4.930 1.00 0.00 ATOM 27 CB TYR 10 39.757 -5.984 -3.998 1.00 0.00 ATOM 28 CG TYR 10 41.233 -5.794 -4.184 1.00 0.00 ATOM 29 CD1 TYR 10 41.897 -4.758 -3.551 1.00 0.00 ATOM 30 CD2 TYR 10 41.956 -6.628 -5.005 1.00 0.00 ATOM 31 CE1 TYR 10 43.239 -4.562 -3.728 1.00 0.00 ATOM 32 CE2 TYR 10 43.296 -6.440 -5.188 1.00 0.00 ATOM 33 CZ TYR 10 43.936 -5.405 -4.547 1.00 0.00 ATOM 34 OH TYR 10 45.287 -5.214 -4.710 1.00 0.00 ATOM 35 O TYR 10 38.270 -6.396 -6.827 1.00 0.00 ATOM 36 C TYR 10 37.985 -6.002 -5.704 1.00 0.00 ATOM 37 N GLU 11 36.860 -6.321 -5.083 1.00 0.00 ATOM 38 CA GLU 11 35.855 -7.175 -5.714 1.00 0.00 ATOM 39 CB GLU 11 34.598 -7.272 -4.848 1.00 0.00 ATOM 40 CG GLU 11 34.679 -8.263 -3.698 1.00 0.00 ATOM 41 CD GLU 11 33.306 -8.593 -3.150 1.00 0.00 ATOM 42 OE1 GLU 11 32.490 -9.127 -3.922 1.00 0.00 ATOM 43 OE2 GLU 11 33.032 -8.322 -1.964 1.00 0.00 ATOM 44 O GLU 11 35.723 -7.318 -8.089 1.00 0.00 ATOM 45 C GLU 11 35.470 -6.658 -7.084 1.00 0.00 ATOM 46 N GLU 12 34.857 -5.474 -7.106 1.00 0.00 ATOM 47 CA GLU 12 34.407 -4.810 -8.335 1.00 0.00 ATOM 48 CB GLU 12 34.039 -3.363 -8.044 1.00 0.00 ATOM 49 CG GLU 12 32.850 -3.184 -7.100 1.00 0.00 ATOM 50 CD GLU 12 32.697 -1.746 -6.646 1.00 0.00 ATOM 51 OE1 GLU 12 31.760 -1.433 -5.892 1.00 0.00 ATOM 52 OE2 GLU 12 33.534 -0.919 -7.054 1.00 0.00 ATOM 53 O GLU 12 35.132 -5.170 -10.587 1.00 0.00 ATOM 54 C GLU 12 35.443 -4.831 -9.448 1.00 0.00 ATOM 55 N MET 13 36.667 -4.451 -9.116 1.00 0.00 ATOM 56 CA MET 13 37.750 -4.433 -10.084 1.00 0.00 ATOM 57 CB MET 13 39.015 -3.856 -9.441 1.00 0.00 ATOM 58 CG MET 13 39.027 -2.343 -9.356 1.00 0.00 ATOM 59 SD MET 13 39.094 -1.512 -11.122 1.00 0.00 ATOM 60 CE MET 13 41.002 -1.577 -11.420 1.00 0.00 ATOM 61 O MET 13 38.167 -5.968 -11.890 1.00 0.00 ATOM 62 C MET 13 38.044 -5.820 -10.671 1.00 0.00 ATOM 63 N VAL 14 38.167 -6.830 -9.813 1.00 0.00 ATOM 64 CA VAL 14 38.447 -8.173 -10.298 1.00 0.00 ATOM 65 CB VAL 14 38.750 -9.155 -9.130 1.00 0.00 ATOM 66 CG1 VAL 14 38.982 -10.565 -9.663 1.00 0.00 ATOM 67 CG2 VAL 14 39.982 -8.699 -8.389 1.00 0.00 ATOM 68 O VAL 14 37.416 -9.267 -12.178 1.00 0.00 ATOM 69 C VAL 14 37.251 -8.660 -11.115 1.00 0.00 ATOM 70 N LYS 15 36.044 -8.390 -10.632 1.00 0.00 ATOM 71 CA LYS 15 34.858 -8.792 -11.376 1.00 0.00 ATOM 72 CB LYS 15 33.585 -8.344 -10.657 1.00 0.00 ATOM 73 CG LYS 15 32.315 -8.789 -11.340 1.00 0.00 ATOM 74 CD LYS 15 31.115 -8.533 -10.452 1.00 0.00 ATOM 75 CE LYS 15 29.944 -9.430 -10.851 1.00 0.00 ATOM 76 NZ LYS 15 30.255 -10.877 -10.746 1.00 0.00 ATOM 77 O LYS 15 34.662 -8.791 -13.766 1.00 0.00 ATOM 78 C LYS 15 34.908 -8.140 -12.756 1.00 0.00 ATOM 79 N GLU 16 35.229 -6.847 -12.784 1.00 0.00 ATOM 80 CA GLU 16 35.327 -6.088 -14.022 1.00 0.00 ATOM 81 CB GLU 16 35.654 -4.633 -13.725 1.00 0.00 ATOM 82 CG GLU 16 35.623 -3.711 -14.941 1.00 0.00 ATOM 83 CD GLU 16 34.207 -3.457 -15.429 1.00 0.00 ATOM 84 OE1 GLU 16 33.773 -4.131 -16.387 1.00 0.00 ATOM 85 OE2 GLU 16 33.515 -2.591 -14.838 1.00 0.00 ATOM 86 O GLU 16 36.146 -6.882 -16.122 1.00 0.00 ATOM 87 C GLU 16 36.404 -6.628 -14.946 1.00 0.00 ATOM 88 N VAL 17 37.617 -6.775 -14.421 1.00 0.00 ATOM 89 CA VAL 17 38.750 -7.277 -15.199 1.00 0.00 ATOM 90 CB VAL 17 40.036 -7.378 -14.339 1.00 0.00 ATOM 91 CG1 VAL 17 41.144 -8.027 -15.145 1.00 0.00 ATOM 92 CG2 VAL 17 40.473 -5.988 -13.885 1.00 0.00 ATOM 93 O VAL 17 38.790 -8.873 -16.992 1.00 0.00 ATOM 94 C VAL 17 38.487 -8.646 -15.820 1.00 0.00 ATOM 95 N GLU 18 37.941 -9.560 -15.026 1.00 0.00 ATOM 96 CA GLU 18 37.644 -10.907 -15.500 1.00 0.00 ATOM 97 CB GLU 18 37.207 -11.770 -14.314 1.00 0.00 ATOM 98 CG GLU 18 36.579 -13.108 -14.663 1.00 0.00 ATOM 99 CD GLU 18 37.560 -14.086 -15.275 1.00 0.00 ATOM 100 OE1 GLU 18 38.703 -14.171 -14.788 1.00 0.00 ATOM 101 OE2 GLU 18 37.176 -14.784 -16.237 1.00 0.00 ATOM 102 O GLU 18 36.659 -11.497 -17.615 1.00 0.00 ATOM 103 C GLU 18 36.561 -10.834 -16.579 1.00 0.00 ATOM 104 N ARG 19 35.545 -10.008 -16.341 1.00 0.00 ATOM 105 CA ARG 19 34.459 -9.802 -17.293 1.00 0.00 ATOM 106 CB ARG 19 33.504 -8.716 -16.800 1.00 0.00 ATOM 107 CG ARG 19 32.355 -8.441 -17.748 1.00 0.00 ATOM 108 CD ARG 19 31.501 -7.276 -17.272 1.00 0.00 ATOM 109 NE ARG 19 32.179 -5.998 -17.447 1.00 0.00 ATOM 110 CZ ARG 19 32.389 -5.417 -18.628 1.00 0.00 ATOM 111 NH1 ARG 19 31.972 -6.002 -19.750 1.00 0.00 ATOM 112 NH2 ARG 19 33.018 -4.249 -18.691 1.00 0.00 ATOM 113 O ARG 19 34.460 -9.780 -19.681 1.00 0.00 ATOM 114 C ARG 19 34.991 -9.375 -18.653 1.00 0.00 ATOM 115 N LEU 20 36.023 -8.537 -18.658 1.00 0.00 ATOM 116 CA LEU 20 36.613 -8.070 -19.908 1.00 0.00 ATOM 117 CB LEU 20 37.405 -6.772 -19.696 1.00 0.00 ATOM 118 CG LEU 20 36.656 -5.452 -19.478 1.00 0.00 ATOM 119 CD1 LEU 20 37.647 -4.352 -19.069 1.00 0.00 ATOM 120 CD2 LEU 20 35.922 -5.070 -20.748 1.00 0.00 ATOM 121 O LEU 20 37.728 -9.099 -21.740 1.00 0.00 ATOM 122 C LEU 20 37.532 -9.110 -20.531 1.00 0.00 ATOM 123 N LYS 21 38.102 -9.999 -19.719 1.00 0.00 ATOM 124 CA LYS 21 38.999 -11.027 -20.250 1.00 0.00 ATOM 125 CB LYS 21 39.896 -11.604 -19.137 1.00 0.00 ATOM 126 CG LYS 21 40.889 -10.585 -18.547 1.00 0.00 ATOM 127 CD LYS 21 41.868 -11.209 -17.545 1.00 0.00 ATOM 128 CE LYS 21 42.948 -10.206 -17.095 1.00 0.00 ATOM 129 NZ LYS 21 43.928 -10.768 -16.109 1.00 0.00 ATOM 130 O LYS 21 38.612 -12.793 -21.862 1.00 0.00 ATOM 131 C LYS 21 38.172 -12.132 -20.910 1.00 0.00 ATOM 132 N LEU 22 36.963 -12.326 -20.394 1.00 0.00 ATOM 133 CA LEU 22 36.051 -13.315 -20.941 1.00 0.00 ATOM 134 CB LEU 22 34.944 -13.591 -19.934 1.00 0.00 ATOM 135 CG LEU 22 35.234 -14.758 -18.999 1.00 0.00 ATOM 136 CD1 LEU 22 34.370 -14.687 -17.754 1.00 0.00 ATOM 137 CD2 LEU 22 34.992 -16.035 -19.778 1.00 0.00 ATOM 138 O LEU 22 35.450 -13.461 -23.272 1.00 0.00 ATOM 139 C LEU 22 35.464 -12.773 -22.249 1.00 0.00 ATOM 140 N GLU 23 34.984 -11.535 -22.217 1.00 0.00 ATOM 141 CA GLU 23 34.437 -10.934 -23.416 1.00 0.00 ATOM 142 CB GLU 23 33.823 -9.570 -23.101 1.00 0.00 ATOM 143 CG GLU 23 33.276 -8.822 -24.308 1.00 0.00 ATOM 144 CD GLU 23 32.425 -7.622 -23.919 1.00 0.00 ATOM 145 OE1 GLU 23 31.294 -7.829 -23.420 1.00 0.00 ATOM 146 OE2 GLU 23 32.889 -6.473 -24.099 1.00 0.00 ATOM 147 O GLU 23 35.368 -10.850 -25.629 1.00 0.00 ATOM 148 C GLU 23 35.581 -10.797 -24.417 1.00 0.00 ATOM 149 N ASN 24 36.801 -10.636 -23.914 1.00 0.00 ATOM 150 CA ASN 24 37.953 -10.511 -24.803 1.00 0.00 ATOM 151 CB ASN 24 39.196 -10.049 -24.037 1.00 0.00 ATOM 152 CG ASN 24 40.460 -10.101 -24.888 1.00 0.00 ATOM 153 ND2 ASN 24 40.865 -8.949 -25.411 1.00 0.00 ATOM 154 OD1 ASN 24 41.054 -11.163 -25.082 1.00 0.00 ATOM 155 O ASN 24 38.718 -11.863 -26.617 1.00 0.00 ATOM 156 C ASN 24 38.244 -11.837 -25.488 1.00 0.00 ATOM 157 N LYS 25 37.970 -12.941 -24.806 1.00 0.00 ATOM 158 CA LYS 25 38.208 -14.243 -25.405 1.00 0.00 ATOM 159 CB LYS 25 38.139 -15.358 -24.353 1.00 0.00 ATOM 160 CG LYS 25 38.603 -16.708 -24.901 1.00 0.00 ATOM 161 CD LYS 25 38.779 -17.772 -23.821 1.00 0.00 ATOM 162 CE LYS 25 37.449 -18.272 -23.282 1.00 0.00 ATOM 163 NZ LYS 25 37.644 -19.429 -22.368 1.00 0.00 ATOM 164 O LYS 25 37.483 -14.642 -27.648 1.00 0.00 ATOM 165 C LYS 25 37.151 -14.456 -26.481 1.00 0.00 ATOM 166 N THR 26 35.878 -14.419 -26.091 1.00 0.00 ATOM 167 CA THR 26 34.795 -14.589 -27.051 1.00 0.00 ATOM 168 CB THR 26 33.491 -13.980 -26.548 1.00 0.00 ATOM 169 CG2 THR 26 32.491 -13.848 -27.686 1.00 0.00 ATOM 170 OG1 THR 26 32.943 -14.815 -25.527 1.00 0.00 ATOM 171 O THR 26 35.077 -14.461 -29.421 1.00 0.00 ATOM 172 C THR 26 35.149 -13.877 -28.340 1.00 0.00 ATOM 173 N LEU 27 35.533 -12.609 -28.224 1.00 0.00 ATOM 174 CA LEU 27 35.886 -11.830 -29.404 1.00 0.00 ATOM 175 CB LEU 27 36.191 -10.384 -29.003 1.00 0.00 ATOM 176 CG LEU 27 34.915 -9.611 -28.633 1.00 0.00 ATOM 177 CD1 LEU 27 35.232 -8.451 -27.691 1.00 0.00 ATOM 178 CD2 LEU 27 34.239 -9.129 -29.900 1.00 0.00 ATOM 179 O LEU 27 37.017 -12.418 -31.428 1.00 0.00 ATOM 180 C LEU 27 37.042 -12.444 -30.202 1.00 0.00 ATOM 181 N LYS 28 38.036 -13.002 -29.518 1.00 0.00 ATOM 182 CA LYS 28 39.162 -13.633 -30.214 1.00 0.00 ATOM 183 CB LYS 28 40.332 -13.895 -29.256 1.00 0.00 ATOM 184 CG LYS 28 41.099 -12.659 -28.782 1.00 0.00 ATOM 185 CD LYS 28 42.270 -13.072 -27.880 1.00 0.00 ATOM 186 CE LYS 28 43.294 -11.953 -27.673 1.00 0.00 ATOM 187 NZ LYS 28 42.757 -10.785 -26.900 1.00 0.00 ATOM 188 O LYS 28 39.186 -15.469 -31.785 1.00 0.00 ATOM 189 C LYS 28 38.669 -14.964 -30.790 1.00 0.00 ATOM 190 N GLN 29 37.656 -15.536 -30.150 1.00 0.00 ATOM 191 CA GLN 29 37.098 -16.791 -30.611 1.00 0.00 ATOM 192 CB GLN 29 36.196 -17.397 -29.534 1.00 0.00 ATOM 193 CG GLN 29 36.520 -18.851 -29.206 1.00 0.00 ATOM 194 CD GLN 29 36.320 -19.182 -27.734 1.00 0.00 ATOM 195 OE1 GLN 29 35.229 -19.004 -27.184 1.00 0.00 ATOM 196 NE2 GLN 29 37.380 -19.662 -27.089 1.00 0.00 ATOM 197 O GLN 29 36.324 -17.270 -32.820 1.00 0.00 ATOM 198 C GLN 29 36.309 -16.492 -31.875 1.00 0.00 ATOM 199 N LYS 30 35.635 -15.346 -31.897 1.00 0.00 ATOM 200 CA LYS 30 34.858 -14.970 -33.066 1.00 0.00 ATOM 201 CB LYS 30 34.156 -13.624 -32.863 1.00 0.00 ATOM 202 CG LYS 30 32.907 -13.712 -32.014 1.00 0.00 ATOM 203 CD LYS 30 32.166 -12.396 -31.975 1.00 0.00 ATOM 204 CE LYS 30 30.862 -12.538 -31.205 1.00 0.00 ATOM 205 NZ LYS 30 30.013 -13.625 -31.769 1.00 0.00 ATOM 206 O LYS 30 35.331 -15.424 -35.339 1.00 0.00 ATOM 207 C LYS 30 35.727 -14.904 -34.303 1.00 0.00 ATOM 208 N VAL 31 36.900 -14.272 -34.216 1.00 0.00 ATOM 209 CA VAL 31 37.777 -14.191 -35.389 1.00 0.00 ATOM 210 CB VAL 31 39.045 -13.312 -35.136 1.00 0.00 ATOM 211 CG1 VAL 31 38.636 -11.895 -34.751 1.00 0.00 ATOM 212 CG2 VAL 31 39.910 -13.931 -34.052 1.00 0.00 ATOM 213 O VAL 31 39.384 -15.966 -35.823 1.00 0.00 ATOM 214 C VAL 31 38.201 -15.604 -35.825 1.00 0.00 ATOM 215 N SER 39 42.619 -17.582 -32.471 1.00 0.00 ATOM 216 CA SER 39 43.986 -17.958 -32.132 1.00 0.00 ATOM 217 CB SER 39 44.676 -18.610 -33.330 1.00 0.00 ATOM 218 OG SER 39 46.060 -18.783 -33.076 1.00 0.00 ATOM 219 O SER 39 45.650 -16.261 -32.420 1.00 0.00 ATOM 220 C SER 39 44.816 -16.771 -31.671 1.00 0.00 ATOM 221 N ASP 40 44.581 -16.329 -30.442 1.00 0.00 ATOM 222 CA ASP 40 45.327 -15.207 -29.886 1.00 0.00 ATOM 223 CB ASP 40 44.634 -13.881 -30.224 1.00 0.00 ATOM 224 CG ASP 40 45.560 -12.678 -30.081 1.00 0.00 ATOM 225 OD1 ASP 40 46.157 -12.507 -28.997 1.00 0.00 ATOM 226 OD2 ASP 40 45.686 -11.901 -31.057 1.00 0.00 ATOM 227 O ASP 40 44.930 -14.567 -27.603 1.00 0.00 ATOM 228 C ASP 40 45.394 -15.403 -28.379 1.00 0.00 ATOM 229 N ASP 41 45.970 -16.531 -27.977 1.00 0.00 ATOM 230 CA ASP 41 46.113 -16.874 -26.573 1.00 0.00 ATOM 231 CB ASP 41 45.384 -18.185 -26.287 1.00 0.00 ATOM 232 CG ASP 41 45.568 -18.651 -24.864 1.00 0.00 ATOM 233 OD1 ASP 41 45.529 -17.796 -23.958 1.00 0.00 ATOM 234 OD2 ASP 41 45.738 -19.872 -24.654 1.00 0.00 ATOM 235 O ASP 41 48.217 -18.033 -26.399 1.00 0.00 ATOM 236 C ASP 41 47.583 -16.997 -26.195 1.00 0.00 ATOM 237 N SER 42 48.112 -15.921 -25.633 1.00 0.00 ATOM 238 CA SER 42 49.504 -15.863 -25.215 1.00 0.00 ATOM 239 CB SER 42 49.886 -14.410 -24.958 1.00 0.00 ATOM 240 OG SER 42 49.412 -13.581 -26.002 1.00 0.00 ATOM 241 O SER 42 48.897 -17.001 -23.183 1.00 0.00 ATOM 242 C SER 42 49.793 -16.672 -23.960 1.00 0.00 ATOM 243 N ILE 43 51.065 -16.984 -23.772 1.00 0.00 ATOM 244 CA ILE 43 51.517 -17.716 -22.606 1.00 0.00 ATOM 245 CB ILE 43 52.875 -18.379 -22.906 1.00 0.00 ATOM 246 CG1 ILE 43 52.644 -19.668 -23.694 1.00 0.00 ATOM 247 CG2 ILE 43 53.647 -18.611 -21.630 1.00 0.00 ATOM 248 CD1 ILE 43 52.273 -19.466 -25.162 1.00 0.00 ATOM 249 O ILE 43 52.102 -15.581 -21.685 1.00 0.00 ATOM 250 C ILE 43 51.666 -16.707 -21.467 1.00 0.00 ATOM 251 N LEU 44 51.302 -17.115 -20.258 1.00 0.00 ATOM 252 CA LEU 44 51.387 -16.252 -19.087 1.00 0.00 ATOM 253 CB LEU 44 50.713 -16.964 -17.920 1.00 0.00 ATOM 254 CG LEU 44 49.967 -16.138 -16.882 1.00 0.00 ATOM 255 CD1 LEU 44 49.017 -15.164 -17.565 1.00 0.00 ATOM 256 CD2 LEU 44 49.215 -17.093 -15.958 1.00 0.00 ATOM 257 O LEU 44 53.734 -16.738 -18.954 1.00 0.00 ATOM 258 C LEU 44 52.844 -15.925 -18.738 1.00 0.00 ATOM 259 N THR 45 53.080 -14.726 -18.216 1.00 0.00 ATOM 260 CA THR 45 54.424 -14.308 -17.816 1.00 0.00 ATOM 261 CB THR 45 54.696 -12.832 -18.182 1.00 0.00 ATOM 262 CG2 THR 45 56.042 -12.387 -17.630 1.00 0.00 ATOM 263 OG1 THR 45 54.689 -12.679 -19.606 1.00 0.00 ATOM 264 O THR 45 53.485 -14.290 -15.615 1.00 0.00 ATOM 265 C THR 45 54.499 -14.446 -16.300 1.00 0.00 ATOM 266 N ALA 46 55.687 -14.733 -15.774 1.00 0.00 ATOM 267 CA ALA 46 55.851 -14.901 -14.331 1.00 0.00 ATOM 268 CB ALA 46 57.314 -14.951 -13.967 1.00 0.00 ATOM 269 O ALA 46 54.482 -14.068 -12.563 1.00 0.00 ATOM 270 C ALA 46 55.164 -13.796 -13.545 1.00 0.00 ATOM 271 N ALA 47 55.337 -12.555 -13.986 1.00 0.00 ATOM 272 CA ALA 47 54.733 -11.414 -13.316 1.00 0.00 ATOM 273 CB ALA 47 55.350 -10.129 -13.832 1.00 0.00 ATOM 274 O ALA 47 52.464 -11.205 -12.556 1.00 0.00 ATOM 275 C ALA 47 53.222 -11.387 -13.512 1.00 0.00 ATOM 276 N LYS 48 52.796 -11.562 -14.759 1.00 0.00 ATOM 277 CA LYS 48 51.385 -11.563 -15.119 1.00 0.00 ATOM 278 CB LYS 48 51.230 -11.951 -16.590 1.00 0.00 ATOM 279 CG LYS 48 49.894 -11.582 -17.209 1.00 0.00 ATOM 280 CD LYS 48 49.887 -10.124 -17.632 1.00 0.00 ATOM 281 CE LYS 48 48.673 -9.790 -18.488 1.00 0.00 ATOM 282 NZ LYS 48 48.799 -8.452 -19.143 1.00 0.00 ATOM 283 O LYS 48 49.619 -12.224 -13.633 1.00 0.00 ATOM 284 C LYS 48 50.628 -12.561 -14.256 1.00 0.00 ATOM 285 N ARG 49 51.117 -13.797 -14.223 1.00 0.00 ATOM 286 CA ARG 49 50.458 -14.831 -13.424 1.00 0.00 ATOM 287 CB ARG 49 51.202 -16.175 -13.483 1.00 0.00 ATOM 288 CG ARG 49 50.533 -17.243 -12.616 1.00 0.00 ATOM 289 CD ARG 49 51.373 -18.503 -12.423 1.00 0.00 ATOM 290 NE ARG 49 51.651 -19.190 -13.676 1.00 0.00 ATOM 291 CZ ARG 49 52.762 -19.034 -14.385 1.00 0.00 ATOM 292 NH1 ARG 49 53.714 -18.215 -13.957 1.00 0.00 ATOM 293 NH2 ARG 49 52.918 -19.682 -15.530 1.00 0.00 ATOM 294 O ARG 49 49.282 -14.457 -11.367 1.00 0.00 ATOM 295 C ARG 49 50.352 -14.412 -11.965 1.00 0.00 ATOM 296 N GLU 50 51.485 -14.011 -11.404 1.00 0.00 ATOM 297 CA GLU 50 51.555 -13.588 -10.015 1.00 0.00 ATOM 298 CB GLU 50 52.995 -13.194 -9.662 1.00 0.00 ATOM 299 CG GLU 50 53.303 -13.349 -8.194 1.00 0.00 ATOM 300 CD GLU 50 53.105 -14.775 -7.723 1.00 0.00 ATOM 301 OE1 GLU 50 53.076 -15.004 -6.499 1.00 0.00 ATOM 302 OE2 GLU 50 52.982 -15.678 -8.581 1.00 0.00 ATOM 303 O GLU 50 49.944 -12.362 -8.704 1.00 0.00 ATOM 304 C GLU 50 50.603 -12.424 -9.748 1.00 0.00 ATOM 305 N SER 51 50.541 -11.500 -10.703 1.00 0.00 ATOM 306 CA SER 51 49.660 -10.349 -10.576 1.00 0.00 ATOM 307 CB SER 51 49.877 -9.414 -11.763 1.00 0.00 ATOM 308 OG SER 51 49.407 -8.118 -11.462 1.00 0.00 ATOM 309 O SER 51 47.421 -10.391 -9.688 1.00 0.00 ATOM 310 C SER 51 48.205 -10.841 -10.512 1.00 0.00 ATOM 311 N ILE 52 47.863 -11.790 -11.372 1.00 0.00 ATOM 312 CA ILE 52 46.515 -12.341 -11.396 1.00 0.00 ATOM 313 CB ILE 52 46.318 -13.286 -12.613 1.00 0.00 ATOM 314 CG1 ILE 52 46.467 -12.482 -13.913 1.00 0.00 ATOM 315 CG2 ILE 52 44.948 -13.951 -12.550 1.00 0.00 ATOM 316 CD1 ILE 52 45.688 -11.160 -14.002 1.00 0.00 ATOM 317 O ILE 52 45.073 -13.061 -9.613 1.00 0.00 ATOM 318 C ILE 52 46.204 -13.093 -10.102 1.00 0.00 ATOM 319 N ILE 53 47.202 -13.764 -9.543 1.00 0.00 ATOM 320 CA ILE 53 46.995 -14.500 -8.308 1.00 0.00 ATOM 321 CB ILE 53 48.165 -15.471 -8.051 1.00 0.00 ATOM 322 CG1 ILE 53 48.247 -16.467 -9.208 1.00 0.00 ATOM 323 CG2 ILE 53 47.976 -16.192 -6.726 1.00 0.00 ATOM 324 CD1 ILE 53 47.025 -17.400 -9.446 1.00 0.00 ATOM 325 O ILE 53 45.918 -13.771 -6.283 1.00 0.00 ATOM 326 C ILE 53 46.808 -13.561 -7.110 1.00 0.00 ATOM 327 N VAL 54 47.622 -12.516 -7.014 1.00 0.00 ATOM 328 CA VAL 54 47.484 -11.581 -5.894 1.00 0.00 ATOM 329 CB VAL 54 48.598 -10.500 -5.902 1.00 0.00 ATOM 330 CG1 VAL 54 48.473 -9.618 -4.682 1.00 0.00 ATOM 331 CG2 VAL 54 49.951 -11.154 -5.925 1.00 0.00 ATOM 332 O VAL 54 45.532 -10.624 -4.854 1.00 0.00 ATOM 333 C VAL 54 46.116 -10.873 -5.916 1.00 0.00 ATOM 334 N SER 55 45.616 -10.550 -7.114 1.00 0.00 ATOM 335 CA SER 55 44.326 -9.877 -7.264 1.00 0.00 ATOM 336 CB SER 55 44.089 -9.459 -8.720 1.00 0.00 ATOM 337 OG SER 55 45.121 -8.644 -9.225 1.00 0.00 ATOM 338 O SER 55 42.367 -10.461 -5.991 1.00 0.00 ATOM 339 C SER 55 43.169 -10.785 -6.871 1.00 0.00 ATOM 340 N SER 56 43.076 -11.916 -7.560 1.00 0.00 ATOM 341 CA SER 56 42.014 -12.882 -7.306 1.00 0.00 ATOM 342 CB SER 56 42.265 -14.156 -8.120 1.00 0.00 ATOM 343 OG SER 56 42.412 -13.854 -9.488 1.00 0.00 ATOM 344 O SER 56 40.846 -13.280 -5.243 1.00 0.00 ATOM 345 C SER 56 41.932 -13.222 -5.820 1.00 0.00 ATOM 346 N SER 57 43.091 -13.452 -5.209 1.00 0.00 ATOM 347 CA SER 57 43.140 -13.790 -3.799 1.00 0.00 ATOM 348 CB SER 57 44.585 -13.971 -3.347 1.00 0.00 ATOM 349 OG SER 57 45.206 -15.009 -4.071 1.00 0.00 ATOM 350 O SER 57 41.624 -12.912 -2.175 1.00 0.00 ATOM 351 C SER 57 42.501 -12.672 -3.003 1.00 0.00 ATOM 352 N ARG 58 42.937 -11.447 -3.262 1.00 0.00 ATOM 353 CA ARG 58 42.399 -10.307 -2.541 1.00 0.00 ATOM 354 CB ARG 58 43.146 -9.033 -2.926 1.00 0.00 ATOM 355 CG ARG 58 44.569 -8.993 -2.377 1.00 0.00 ATOM 356 CD ARG 58 45.264 -7.662 -2.654 1.00 0.00 ATOM 357 NE ARG 58 46.579 -7.603 -2.021 1.00 0.00 ATOM 358 CZ ARG 58 47.599 -6.884 -2.473 1.00 0.00 ATOM 359 NH1 ARG 58 47.469 -6.153 -3.569 1.00 0.00 ATOM 360 NH2 ARG 58 48.755 -6.898 -1.837 1.00 0.00 ATOM 361 O ARG 58 40.171 -9.874 -1.772 1.00 0.00 ATOM 362 C ARG 58 40.897 -10.143 -2.733 1.00 0.00 ATOM 363 N ALA 59 40.422 -10.314 -3.964 1.00 0.00 ATOM 364 CA ALA 59 38.992 -10.208 -4.226 1.00 0.00 ATOM 365 CB ALA 59 38.705 -10.406 -5.690 1.00 0.00 ATOM 366 O ALA 59 37.342 -10.967 -2.662 1.00 0.00 ATOM 367 C ALA 59 38.271 -11.272 -3.408 1.00 0.00 ATOM 368 N LEU 60 38.695 -12.523 -3.551 1.00 0.00 ATOM 369 CA LEU 60 38.078 -13.609 -2.788 1.00 0.00 ATOM 370 CB LEU 60 38.656 -14.959 -3.229 1.00 0.00 ATOM 371 CG LEU 60 38.135 -15.355 -4.619 1.00 0.00 ATOM 372 CD1 LEU 60 38.850 -16.580 -5.185 1.00 0.00 ATOM 373 CD2 LEU 60 36.648 -15.615 -4.496 1.00 0.00 ATOM 374 O LEU 60 37.466 -13.821 -0.463 1.00 0.00 ATOM 375 C LEU 60 38.269 -13.377 -1.282 1.00 0.00 ATOM 376 N GLY 61 39.327 -12.653 -0.927 1.00 0.00 ATOM 377 CA GLY 61 39.576 -12.354 0.469 1.00 0.00 ATOM 378 O GLY 61 38.037 -11.597 2.124 1.00 0.00 ATOM 379 C GLY 61 38.495 -11.439 1.001 1.00 0.00 ATOM 380 N ALA 62 38.100 -10.467 0.185 1.00 0.00 ATOM 381 CA ALA 62 37.057 -9.504 0.545 1.00 0.00 ATOM 382 CB ALA 62 36.874 -8.485 -0.587 1.00 0.00 ATOM 383 O ALA 62 35.044 -9.946 1.771 1.00 0.00 ATOM 384 C ALA 62 35.747 -10.233 0.800 1.00 0.00 ATOM 385 N VAL 63 35.410 -11.165 -0.089 1.00 0.00 ATOM 386 CA VAL 63 34.186 -11.939 0.063 1.00 0.00 ATOM 387 CB VAL 63 33.992 -12.942 -1.103 1.00 0.00 ATOM 388 CG1 VAL 63 32.707 -13.725 -0.907 1.00 0.00 ATOM 389 CG2 VAL 63 33.932 -12.199 -2.445 1.00 0.00 ATOM 390 O VAL 63 33.361 -12.725 2.172 1.00 0.00 ATOM 391 C VAL 63 34.299 -12.698 1.374 1.00 0.00 ATOM 392 N ALA 64 35.462 -13.294 1.615 1.00 0.00 ATOM 393 CA ALA 64 35.681 -14.023 2.854 1.00 0.00 ATOM 394 CB ALA 64 37.057 -14.654 2.851 1.00 0.00 ATOM 395 O ALA 64 34.867 -13.434 5.047 1.00 0.00 ATOM 396 C ALA 64 35.519 -13.085 4.052 1.00 0.00 ATOM 397 N MET 65 36.088 -11.886 3.954 1.00 0.00 ATOM 398 CA MET 65 35.975 -10.924 5.037 1.00 0.00 ATOM 399 CB MET 65 36.639 -9.602 4.660 1.00 0.00 ATOM 400 CG MET 65 37.796 -9.192 5.567 1.00 0.00 ATOM 401 SD MET 65 37.442 -9.341 7.472 1.00 0.00 ATOM 402 CE MET 65 35.886 -8.209 7.628 1.00 0.00 ATOM 403 O MET 65 34.109 -10.972 6.540 1.00 0.00 ATOM 404 C MET 65 34.516 -10.667 5.413 1.00 0.00 ATOM 405 N ARG 66 33.729 -10.124 4.481 1.00 0.00 ATOM 406 CA ARG 66 32.333 -9.817 4.792 1.00 0.00 ATOM 407 CB ARG 66 31.648 -9.027 3.653 1.00 0.00 ATOM 408 CG ARG 66 31.631 -9.676 2.288 1.00 0.00 ATOM 409 CD ARG 66 31.067 -8.722 1.243 1.00 0.00 ATOM 410 NE ARG 66 31.225 -9.241 -0.119 1.00 0.00 ATOM 411 CZ ARG 66 30.420 -10.130 -0.706 1.00 0.00 ATOM 412 NH1 ARG 66 29.363 -10.626 -0.072 1.00 0.00 ATOM 413 NH2 ARG 66 30.703 -10.542 -1.932 1.00 0.00 ATOM 414 O ARG 66 30.606 -10.857 6.067 1.00 0.00 ATOM 415 C ARG 66 31.485 -11.012 5.214 1.00 0.00 ATOM 416 N LYS 67 31.731 -12.202 4.661 1.00 0.00 ATOM 417 CA LYS 67 30.949 -13.364 5.118 1.00 0.00 ATOM 418 CB LYS 67 31.232 -14.617 4.290 1.00 0.00 ATOM 419 CG LYS 67 30.396 -14.720 3.039 1.00 0.00 ATOM 420 CD LYS 67 30.774 -15.939 2.221 1.00 0.00 ATOM 421 CE LYS 67 30.019 -15.978 0.909 1.00 0.00 ATOM 422 NZ LYS 67 30.111 -17.320 0.277 1.00 0.00 ATOM 423 O LYS 67 30.442 -13.846 7.409 1.00 0.00 ATOM 424 C LYS 67 31.314 -13.640 6.569 1.00 0.00 ATOM 425 N ILE 68 32.615 -13.624 6.858 1.00 0.00 ATOM 426 CA ILE 68 33.119 -13.864 8.208 1.00 0.00 ATOM 427 CB ILE 68 34.660 -13.786 8.242 1.00 0.00 ATOM 428 CG1 ILE 68 35.244 -14.979 7.487 1.00 0.00 ATOM 429 CG2 ILE 68 35.157 -13.784 9.668 1.00 0.00 ATOM 430 CD1 ILE 68 36.719 -14.844 7.109 1.00 0.00 ATOM 431 O ILE 68 32.113 -13.288 10.299 1.00 0.00 ATOM 432 C ILE 68 32.551 -12.883 9.228 1.00 0.00 ATOM 433 N GLU 69 32.568 -11.595 8.904 1.00 0.00 ATOM 434 CA GLU 69 32.031 -10.593 9.820 1.00 0.00 ATOM 435 CB GLU 69 32.189 -9.189 9.232 1.00 0.00 ATOM 436 CG GLU 69 31.168 -8.191 9.748 1.00 0.00 ATOM 437 CD GLU 69 31.764 -6.822 9.999 1.00 0.00 ATOM 438 OE1 GLU 69 32.622 -6.404 9.194 1.00 0.00 ATOM 439 OE2 GLU 69 31.372 -6.163 10.990 1.00 0.00 ATOM 440 O GLU 69 30.091 -10.837 11.223 1.00 0.00 ATOM 441 C GLU 69 30.557 -10.873 10.081 1.00 0.00 ATOM 442 N ALA 70 29.828 -11.160 9.011 1.00 0.00 ATOM 443 CA ALA 70 28.410 -11.440 9.134 1.00 0.00 ATOM 444 CB ALA 70 27.803 -11.749 7.757 1.00 0.00 ATOM 445 O ALA 70 27.447 -12.423 11.092 1.00 0.00 ATOM 446 C ALA 70 28.167 -12.594 10.104 1.00 0.00 ATOM 447 N LYS 71 28.776 -13.752 9.825 1.00 0.00 ATOM 448 CA LYS 71 28.610 -14.938 10.676 1.00 0.00 ATOM 449 CB LYS 71 29.421 -16.116 10.137 1.00 0.00 ATOM 450 CG LYS 71 28.814 -16.782 8.920 1.00 0.00 ATOM 451 CD LYS 71 29.621 -17.999 8.501 1.00 0.00 ATOM 452 CE LYS 71 28.894 -18.797 7.434 1.00 0.00 ATOM 453 NZ LYS 71 29.652 -20.024 7.070 1.00 0.00 ATOM 454 O LYS 71 28.271 -15.010 13.037 1.00 0.00 ATOM 455 C LYS 71 29.008 -14.682 12.115 1.00 0.00 ATOM 456 N VAL 72 30.180 -14.092 12.298 1.00 0.00 ATOM 457 CA VAL 72 30.654 -13.774 13.632 1.00 0.00 ATOM 458 CB VAL 72 31.999 -13.025 13.604 1.00 0.00 ATOM 459 CG1 VAL 72 32.336 -12.513 15.006 1.00 0.00 ATOM 460 CG2 VAL 72 33.086 -13.951 13.094 1.00 0.00 ATOM 461 O VAL 72 29.123 -13.252 15.388 1.00 0.00 ATOM 462 C VAL 72 29.635 -12.896 14.327 1.00 0.00 ATOM 463 N ARG 73 29.344 -11.746 13.725 1.00 0.00 ATOM 464 CA ARG 73 28.381 -10.829 14.304 1.00 0.00 ATOM 465 CB ARG 73 28.140 -9.661 13.356 1.00 0.00 ATOM 466 CG ARG 73 27.033 -8.755 13.807 1.00 0.00 ATOM 467 CD ARG 73 26.837 -7.569 12.883 1.00 0.00 ATOM 468 NE ARG 73 27.731 -6.458 13.202 1.00 0.00 ATOM 469 CZ ARG 73 28.964 -6.335 12.737 1.00 0.00 ATOM 470 NH1 ARG 73 29.446 -7.266 11.933 1.00 0.00 ATOM 471 NH2 ARG 73 29.700 -5.279 13.063 1.00 0.00 ATOM 472 O ARG 73 26.462 -11.378 15.657 1.00 0.00 ATOM 473 C ARG 73 27.081 -11.585 14.618 1.00 0.00 ATOM 474 N SER 74 26.702 -12.496 13.732 1.00 0.00 ATOM 475 CA SER 74 25.502 -13.301 13.902 1.00 0.00 ATOM 476 CB SER 74 25.260 -14.119 12.626 1.00 0.00 ATOM 477 OG SER 74 24.108 -14.942 12.728 1.00 0.00 ATOM 478 O SER 74 24.664 -14.322 15.919 1.00 0.00 ATOM 479 C SER 74 25.588 -14.248 15.109 1.00 0.00 ATOM 480 N ARG 75 26.701 -14.973 15.222 1.00 0.00 ATOM 481 CA ARG 75 26.893 -15.929 16.308 1.00 0.00 ATOM 482 CB ARG 75 27.929 -16.973 15.901 1.00 0.00 ATOM 483 CG ARG 75 27.500 -17.773 14.708 1.00 0.00 ATOM 484 CD ARG 75 28.420 -18.924 14.417 1.00 0.00 ATOM 485 NE ARG 75 28.168 -19.449 13.082 1.00 0.00 ATOM 486 CZ ARG 75 28.804 -20.489 12.552 1.00 0.00 ATOM 487 NH1 ARG 75 29.736 -21.128 13.243 1.00 0.00 ATOM 488 NH2 ARG 75 28.518 -20.882 11.316 1.00 0.00 ATOM 489 O ARG 75 27.188 -16.044 18.680 1.00 0.00 ATOM 490 C ARG 75 27.286 -15.355 17.667 1.00 0.00 ATOM 491 N ALA 76 27.731 -14.107 17.697 1.00 0.00 ATOM 492 CA ALA 76 28.138 -13.490 18.946 1.00 0.00 ATOM 493 CB ALA 76 29.309 -12.552 18.705 1.00 0.00 ATOM 494 O ALA 76 27.073 -12.288 20.708 1.00 0.00 ATOM 495 C ALA 76 26.991 -12.718 19.558 1.00 0.00 ATOM 496 N ALA 77 25.922 -12.543 18.785 1.00 0.00 ATOM 497 CA ALA 77 24.758 -11.788 19.237 1.00 0.00 ATOM 498 CB ALA 77 23.652 -11.884 18.207 1.00 0.00 ATOM 499 O ALA 77 23.792 -11.342 21.386 1.00 0.00 ATOM 500 C ALA 77 24.219 -12.195 20.607 1.00 0.00 ATOM 501 N LYS 78 24.244 -13.490 20.907 1.00 0.00 ATOM 502 CA LYS 78 23.725 -13.965 22.183 1.00 0.00 ATOM 503 CB LYS 78 23.560 -15.487 22.156 1.00 0.00 ATOM 504 CG LYS 78 24.841 -16.279 21.992 1.00 0.00 ATOM 505 CD LYS 78 24.569 -17.778 22.141 1.00 0.00 ATOM 506 CE LYS 78 25.834 -18.607 21.938 1.00 0.00 ATOM 507 NZ LYS 78 25.609 -20.074 22.132 1.00 0.00 ATOM 508 O LYS 78 24.043 -13.493 24.512 1.00 0.00 ATOM 509 C LYS 78 24.562 -13.553 23.397 1.00 0.00 ATOM 510 N ALA 79 25.846 -13.273 23.185 1.00 0.00 ATOM 511 CA ALA 79 26.715 -12.865 24.290 1.00 0.00 ATOM 512 CB ALA 79 28.162 -12.772 23.820 1.00 0.00 ATOM 513 O ALA 79 25.760 -10.653 24.136 1.00 0.00 ATOM 514 C ALA 79 26.242 -11.526 24.864 1.00 0.00 ATOM 515 N VAL 80 26.397 -11.372 26.174 1.00 0.00 ATOM 516 CA VAL 80 25.946 -10.178 26.877 1.00 0.00 ATOM 517 CB VAL 80 24.666 -10.527 27.660 1.00 0.00 ATOM 518 CG1 VAL 80 24.377 -9.497 28.732 1.00 0.00 ATOM 519 CG2 VAL 80 23.513 -10.634 26.692 1.00 0.00 ATOM 520 O VAL 80 26.863 -8.531 28.382 1.00 0.00 ATOM 521 C VAL 80 27.010 -9.623 27.823 1.00 0.00 ATOM 522 N THR 81 28.090 -10.375 27.989 1.00 0.00 ATOM 523 CA THR 81 29.160 -9.957 28.870 1.00 0.00 ATOM 524 CB THR 81 29.209 -10.882 30.106 1.00 0.00 ATOM 525 CG2 THR 81 27.841 -10.953 30.777 1.00 0.00 ATOM 526 OG1 THR 81 29.573 -12.205 29.705 1.00 0.00 ATOM 527 O THR 81 30.593 -10.650 27.089 1.00 0.00 ATOM 528 C THR 81 30.484 -9.994 28.120 1.00 0.00 ATOM 529 N GLU 82 31.484 -9.280 28.637 1.00 0.00 ATOM 530 CA GLU 82 32.806 -9.244 28.019 1.00 0.00 ATOM 531 CB GLU 82 33.751 -8.302 28.778 1.00 0.00 ATOM 532 CG GLU 82 33.472 -6.807 28.619 1.00 0.00 ATOM 533 CD GLU 82 34.706 -5.946 28.909 1.00 0.00 ATOM 534 OE1 GLU 82 35.725 -6.106 28.200 1.00 0.00 ATOM 535 OE2 GLU 82 34.665 -5.108 29.839 1.00 0.00 ATOM 536 O GLU 82 34.019 -11.064 27.046 1.00 0.00 ATOM 537 C GLU 82 33.388 -10.641 28.014 1.00 0.00 ATOM 538 N GLN 83 33.160 -11.355 29.112 1.00 0.00 ATOM 539 CA GLN 83 33.636 -12.718 29.291 1.00 0.00 ATOM 540 CB GLN 83 33.313 -13.219 30.701 1.00 0.00 ATOM 541 CG GLN 83 33.786 -12.313 31.818 1.00 0.00 ATOM 542 CD GLN 83 35.251 -12.490 32.142 1.00 0.00 ATOM 543 OE1 GLN 83 36.108 -12.444 31.260 1.00 0.00 ATOM 544 NE2 GLN 83 35.550 -12.696 33.420 1.00 0.00 ATOM 545 O GLN 83 33.612 -14.349 27.532 1.00 0.00 ATOM 546 C GLN 83 32.954 -13.621 28.283 1.00 0.00 ATOM 547 N GLU 84 31.625 -13.583 28.272 1.00 0.00 ATOM 548 CA GLU 84 30.853 -14.398 27.339 1.00 0.00 ATOM 549 CB GLU 84 29.360 -14.126 27.486 1.00 0.00 ATOM 550 CG GLU 84 28.687 -14.904 28.597 1.00 0.00 ATOM 551 CD GLU 84 27.337 -14.321 28.966 1.00 0.00 ATOM 552 OE1 GLU 84 26.659 -14.881 29.857 1.00 0.00 ATOM 553 OE2 GLU 84 26.951 -13.293 28.366 1.00 0.00 ATOM 554 O GLU 84 31.579 -15.042 25.150 1.00 0.00 ATOM 555 C GLU 84 31.282 -14.120 25.904 1.00 0.00 ATOM 556 N LEU 85 31.331 -12.849 25.531 1.00 0.00 ATOM 557 CA LEU 85 31.734 -12.483 24.184 1.00 0.00 ATOM 558 CB LEU 85 31.738 -10.963 24.019 1.00 0.00 ATOM 559 CG LEU 85 32.224 -10.498 22.646 1.00 0.00 ATOM 560 CD1 LEU 85 31.524 -11.279 21.557 1.00 0.00 ATOM 561 CD2 LEU 85 31.956 -9.014 22.492 1.00 0.00 ATOM 562 O LEU 85 33.291 -13.583 22.725 1.00 0.00 ATOM 563 C LEU 85 33.112 -13.020 23.808 1.00 0.00 ATOM 564 N THR 86 34.078 -12.845 24.701 1.00 0.00 ATOM 565 CA THR 86 35.437 -13.315 24.446 1.00 0.00 ATOM 566 CB THR 86 36.426 -12.810 25.544 1.00 0.00 ATOM 567 CG2 THR 86 37.877 -13.154 25.170 1.00 0.00 ATOM 568 OG1 THR 86 36.310 -11.388 25.683 1.00 0.00 ATOM 569 O THR 86 36.235 -15.432 23.639 1.00 0.00 ATOM 570 C THR 86 35.486 -14.840 24.412 1.00 0.00 ATOM 571 N SER 87 34.691 -15.466 25.268 1.00 0.00 ATOM 572 CA SER 87 34.640 -16.915 25.342 1.00 0.00 ATOM 573 CB SER 87 33.781 -17.329 26.538 1.00 0.00 ATOM 574 OG SER 87 33.396 -18.686 26.450 1.00 0.00 ATOM 575 O SER 87 34.610 -18.438 23.484 1.00 0.00 ATOM 576 C SER 87 34.063 -17.499 24.053 1.00 0.00 ATOM 577 N LEU 88 32.961 -16.923 23.596 1.00 0.00 ATOM 578 CA LEU 88 32.303 -17.379 22.388 1.00 0.00 ATOM 579 CB LEU 88 30.979 -16.624 22.223 1.00 0.00 ATOM 580 CG LEU 88 30.057 -16.930 21.043 1.00 0.00 ATOM 581 CD1 LEU 88 28.669 -16.398 21.364 1.00 0.00 ATOM 582 CD2 LEU 88 30.603 -16.308 19.763 1.00 0.00 ATOM 583 O LEU 88 33.297 -18.126 20.333 1.00 0.00 ATOM 584 C LEU 88 33.177 -17.211 21.147 1.00 0.00 ATOM 585 N LEU 89 33.783 -16.042 21.005 1.00 0.00 ATOM 586 CA LEU 89 34.630 -15.771 19.852 1.00 0.00 ATOM 587 CB LEU 89 35.222 -14.362 19.947 1.00 0.00 ATOM 588 CG LEU 89 34.228 -13.208 19.842 1.00 0.00 ATOM 589 CD1 LEU 89 34.896 -11.904 20.269 1.00 0.00 ATOM 590 CD2 LEU 89 33.702 -13.121 18.417 1.00 0.00 ATOM 591 O LEU 89 35.972 -17.368 18.684 1.00 0.00 ATOM 592 C LEU 89 35.757 -16.779 19.739 1.00 0.00 ATOM 593 N GLN 90 36.475 -16.977 20.835 1.00 0.00 ATOM 594 CA GLN 90 37.597 -17.902 20.842 1.00 0.00 ATOM 595 CB GLN 90 38.209 -17.952 22.240 1.00 0.00 ATOM 596 CG GLN 90 38.747 -16.598 22.695 1.00 0.00 ATOM 597 CD GLN 90 39.779 -16.721 23.797 1.00 0.00 ATOM 598 OE1 GLN 90 40.338 -15.719 24.258 1.00 0.00 ATOM 599 NE2 GLN 90 40.045 -17.952 24.226 1.00 0.00 ATOM 600 O GLN 90 37.943 -19.895 19.559 1.00 0.00 ATOM 601 C GLN 90 37.223 -19.299 20.353 1.00 0.00 ATOM 602 N SER 91 36.085 -19.803 20.813 1.00 0.00 ATOM 603 CA SER 91 35.627 -21.128 20.426 1.00 0.00 ATOM 604 CB SER 91 34.586 -21.611 21.425 1.00 0.00 ATOM 605 OG SER 91 34.282 -20.583 22.337 1.00 0.00 ATOM 606 O SER 91 34.664 -22.286 18.558 1.00 0.00 ATOM 607 C SER 91 35.044 -21.204 19.015 1.00 0.00 ATOM 608 N LEU 92 34.978 -20.066 18.330 1.00 0.00 ATOM 609 CA LEU 92 34.429 -20.004 16.977 1.00 0.00 ATOM 610 CB LEU 92 34.169 -18.558 16.558 1.00 0.00 ATOM 611 CG LEU 92 32.916 -17.828 17.000 1.00 0.00 ATOM 612 CD1 LEU 92 32.825 -16.522 16.211 1.00 0.00 ATOM 613 CD2 LEU 92 31.695 -18.705 16.754 1.00 0.00 ATOM 614 O LEU 92 36.475 -20.326 15.779 1.00 0.00 ATOM 615 C LEU 92 35.278 -20.606 15.882 1.00 0.00 ATOM 616 N THR 93 34.634 -21.413 15.049 1.00 0.00 ATOM 617 CA THR 93 35.274 -22.028 13.897 1.00 0.00 ATOM 618 CB THR 93 35.516 -23.529 14.104 1.00 0.00 ATOM 619 CG2 THR 93 36.318 -24.097 12.948 1.00 0.00 ATOM 620 OG1 THR 93 36.259 -23.724 15.310 1.00 0.00 ATOM 621 O THR 93 33.093 -22.149 12.927 1.00 0.00 ATOM 622 C THR 93 34.262 -21.803 12.783 1.00 0.00 ATOM 623 N LEU 94 34.697 -21.206 11.679 1.00 0.00 ATOM 624 CA LEU 94 33.778 -20.920 10.587 1.00 0.00 ATOM 625 CB LEU 94 33.628 -19.399 10.425 1.00 0.00 ATOM 626 CG LEU 94 33.207 -18.620 11.681 1.00 0.00 ATOM 627 CD1 LEU 94 33.163 -17.135 11.376 1.00 0.00 ATOM 628 CD2 LEU 94 31.847 -19.103 12.166 1.00 0.00 ATOM 629 O LEU 94 35.374 -21.388 8.874 1.00 0.00 ATOM 630 C LEU 94 34.219 -21.518 9.271 1.00 0.00 ATOM 631 N ARG 95 33.294 -22.192 8.604 1.00 0.00 ATOM 632 CA ARG 95 33.582 -22.768 7.300 1.00 0.00 ATOM 633 CB ARG 95 32.872 -24.105 7.149 1.00 0.00 ATOM 634 CG ARG 95 32.881 -24.642 5.742 1.00 0.00 ATOM 635 CD ARG 95 32.872 -26.157 5.776 1.00 0.00 ATOM 636 NE ARG 95 34.165 -26.701 5.372 1.00 0.00 ATOM 637 CZ ARG 95 34.631 -27.882 5.754 1.00 0.00 ATOM 638 NH1 ARG 95 33.918 -28.652 6.566 1.00 0.00 ATOM 639 NH2 ARG 95 35.807 -28.300 5.302 1.00 0.00 ATOM 640 O ARG 95 31.879 -21.371 6.322 1.00 0.00 ATOM 641 C ARG 95 33.049 -21.753 6.287 1.00 0.00 ATOM 642 N VAL 96 33.902 -21.287 5.394 1.00 0.00 ATOM 643 CA VAL 96 33.446 -20.309 4.427 1.00 0.00 ATOM 644 CB VAL 96 34.068 -18.915 4.707 1.00 0.00 ATOM 645 CG1 VAL 96 33.859 -17.979 3.530 1.00 0.00 ATOM 646 CG2 VAL 96 33.419 -18.314 5.945 1.00 0.00 ATOM 647 O VAL 96 34.786 -21.122 2.606 1.00 0.00 ATOM 648 C VAL 96 33.697 -20.698 2.981 1.00 0.00 ATOM 649 N ASP 97 32.647 -20.562 2.182 1.00 0.00 ATOM 650 CA ASP 97 32.686 -20.837 0.752 1.00 0.00 ATOM 651 CB ASP 97 31.341 -21.377 0.272 1.00 0.00 ATOM 652 CG ASP 97 31.205 -22.870 0.428 1.00 0.00 ATOM 653 OD1 ASP 97 30.068 -23.353 0.224 1.00 0.00 ATOM 654 OD2 ASP 97 32.205 -23.559 0.730 1.00 0.00 ATOM 655 O ASP 97 32.227 -18.522 0.384 1.00 0.00 ATOM 656 C ASP 97 32.896 -19.501 0.050 1.00 0.00 ATOM 657 N VAL 98 33.808 -19.459 -0.915 1.00 0.00 ATOM 658 CA VAL 98 34.047 -18.229 -1.661 1.00 0.00 ATOM 659 CB VAL 98 35.358 -17.501 -1.198 1.00 0.00 ATOM 660 CG1 VAL 98 35.202 -17.014 0.231 1.00 0.00 ATOM 661 CG2 VAL 98 36.557 -18.423 -1.306 1.00 0.00 ATOM 662 O VAL 98 34.696 -19.563 -3.557 1.00 0.00 ATOM 663 C VAL 98 34.123 -18.549 -3.156 1.00 0.00 ATOM 664 N SER 99 33.533 -17.684 -3.971 1.00 0.00 ATOM 665 CA SER 99 33.516 -17.890 -5.407 1.00 0.00 ATOM 666 CB SER 99 32.150 -18.422 -5.838 1.00 0.00 ATOM 667 OG SER 99 32.059 -18.511 -7.251 1.00 0.00 ATOM 668 O SER 99 33.417 -15.550 -5.789 1.00 0.00 ATOM 669 C SER 99 33.806 -16.636 -6.194 1.00 0.00 ATOM 670 N MET 100 34.485 -16.801 -7.328 1.00 0.00 ATOM 671 CA MET 100 34.790 -15.683 -8.213 1.00 0.00 ATOM 672 CB MET 100 35.643 -16.138 -9.399 1.00 0.00 ATOM 673 CG MET 100 37.120 -16.261 -9.120 1.00 0.00 ATOM 674 SD MET 100 37.988 -14.547 -8.815 1.00 0.00 ATOM 675 CE MET 100 38.051 -13.911 -10.649 1.00 0.00 ATOM 676 O MET 100 33.361 -13.964 -9.098 1.00 0.00 ATOM 677 C MET 100 33.466 -15.134 -8.747 1.00 0.00 ATOM 678 N GLU 101 32.445 -15.979 -8.806 1.00 0.00 ATOM 679 CA GLU 101 31.188 -15.502 -9.315 1.00 0.00 ATOM 680 CB GLU 101 30.457 -16.622 -10.088 1.00 0.00 ATOM 681 CG GLU 101 29.815 -17.723 -9.277 1.00 0.00 ATOM 682 CD GLU 101 29.094 -18.754 -10.157 1.00 0.00 ATOM 683 OE1 GLU 101 28.241 -19.493 -9.618 1.00 0.00 ATOM 684 OE2 GLU 101 29.383 -18.833 -11.375 1.00 0.00 ATOM 685 O GLU 101 29.189 -14.485 -8.492 1.00 0.00 ATOM 686 C GLU 101 30.326 -14.848 -8.236 1.00 0.00 ATOM 687 N GLU 102 30.894 -14.663 -7.044 1.00 0.00 ATOM 688 CA GLU 102 30.186 -14.006 -5.942 1.00 0.00 ATOM 689 CB GLU 102 30.412 -14.732 -4.629 1.00 0.00 ATOM 690 CG GLU 102 29.642 -16.003 -4.473 1.00 0.00 ATOM 691 CD GLU 102 29.708 -16.492 -3.053 1.00 0.00 ATOM 692 OE1 GLU 102 30.836 -16.588 -2.514 1.00 0.00 ATOM 693 OE2 GLU 102 28.635 -16.763 -2.480 1.00 0.00 ATOM 694 O GLU 102 30.190 -11.901 -4.814 1.00 0.00 ATOM 695 C GLU 102 30.630 -12.560 -5.748 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_450411201.pdb -s /var/tmp/to_scwrl_450411201.seq -o /var/tmp/from_scwrl_450411201.pdb > /var/tmp/scwrl_450411201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_450411201.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 97 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -34.551 # GDT_score(maxd=8.000,maxw=2.900)= -34.765 # GDT_score(maxd=8.000,maxw=3.200)= -33.735 # GDT_score(maxd=8.000,maxw=3.500)= -32.689 # GDT_score(maxd=10.000,maxw=3.800)= -33.802 # GDT_score(maxd=10.000,maxw=4.000)= -33.072 # GDT_score(maxd=10.000,maxw=4.200)= -32.346 # GDT_score(maxd=12.000,maxw=4.300)= -33.759 # GDT_score(maxd=12.000,maxw=4.500)= -33.041 # GDT_score(maxd=12.000,maxw=4.700)= -32.338 # GDT_score(maxd=14.000,maxw=5.200)= -32.514 # GDT_score(maxd=14.000,maxw=5.500)= -31.370 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_711577188.pdb -s /var/tmp/to_scwrl_711577188.seq -o /var/tmp/from_scwrl_711577188.pdb > /var/tmp/scwrl_711577188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711577188.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -44.663 # GDT_score(maxd=8.000,maxw=2.900)= -44.105 # GDT_score(maxd=8.000,maxw=3.200)= -43.447 # GDT_score(maxd=8.000,maxw=3.500)= -42.806 # GDT_score(maxd=10.000,maxw=3.800)= -44.128 # GDT_score(maxd=10.000,maxw=4.000)= -43.567 # GDT_score(maxd=10.000,maxw=4.200)= -42.916 # GDT_score(maxd=12.000,maxw=4.300)= -44.516 # GDT_score(maxd=12.000,maxw=4.500)= -43.852 # GDT_score(maxd=12.000,maxw=4.700)= -43.123 # GDT_score(maxd=14.000,maxw=5.200)= -43.391 # GDT_score(maxd=14.000,maxw=5.500)= -42.021 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1914172201.pdb -s /var/tmp/to_scwrl_1914172201.seq -o /var/tmp/from_scwrl_1914172201.pdb > /var/tmp/scwrl_1914172201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914172201.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -39.045 # GDT_score(maxd=8.000,maxw=2.900)= -38.418 # GDT_score(maxd=8.000,maxw=3.200)= -36.862 # GDT_score(maxd=8.000,maxw=3.500)= -35.387 # GDT_score(maxd=10.000,maxw=3.800)= -37.735 # GDT_score(maxd=10.000,maxw=4.000)= -36.752 # GDT_score(maxd=10.000,maxw=4.200)= -35.775 # GDT_score(maxd=12.000,maxw=4.300)= -38.978 # GDT_score(maxd=12.000,maxw=4.500)= -37.953 # GDT_score(maxd=12.000,maxw=4.700)= -36.921 # GDT_score(maxd=14.000,maxw=5.200)= -37.797 # GDT_score(maxd=14.000,maxw=5.500)= -36.275 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1990885641.pdb -s /var/tmp/to_scwrl_1990885641.seq -o /var/tmp/from_scwrl_1990885641.pdb > /var/tmp/scwrl_1990885641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990885641.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -46.910 # GDT_score(maxd=8.000,maxw=2.900)= -46.998 # GDT_score(maxd=8.000,maxw=3.200)= -46.068 # GDT_score(maxd=8.000,maxw=3.500)= -45.203 # GDT_score(maxd=10.000,maxw=3.800)= -46.416 # GDT_score(maxd=10.000,maxw=4.000)= -45.768 # GDT_score(maxd=10.000,maxw=4.200)= -45.009 # GDT_score(maxd=12.000,maxw=4.300)= -46.498 # GDT_score(maxd=12.000,maxw=4.500)= -45.748 # GDT_score(maxd=12.000,maxw=4.700)= -45.016 # GDT_score(maxd=14.000,maxw=5.200)= -44.852 # GDT_score(maxd=14.000,maxw=5.500)= -43.425 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_984474812.pdb -s /var/tmp/to_scwrl_984474812.seq -o /var/tmp/from_scwrl_984474812.pdb > /var/tmp/scwrl_984474812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_984474812.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 T0300.try1-opt2.pdb looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -30.899 # GDT_score(maxd=8.000,maxw=2.900)= -29.440 # GDT_score(maxd=8.000,maxw=3.200)= -28.260 # GDT_score(maxd=8.000,maxw=3.500)= -27.282 # GDT_score(maxd=10.000,maxw=3.800)= -29.705 # GDT_score(maxd=10.000,maxw=4.000)= -28.995 # GDT_score(maxd=10.000,maxw=4.200)= -28.267 # GDT_score(maxd=12.000,maxw=4.300)= -30.822 # GDT_score(maxd=12.000,maxw=4.500)= -30.053 # GDT_score(maxd=12.000,maxw=4.700)= -29.348 # GDT_score(maxd=14.000,maxw=5.200)= -30.065 # GDT_score(maxd=14.000,maxw=5.500)= -29.104 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0300.try1-real.pdb for output Error: Couldn't open file T0300.try1-real.pdb for output superimposing iter= 0 total_weight= 1051 rmsd (weighted)= 17.838 (unweighted)= 25.0375 superimposing iter= 1 total_weight= 1686.04 rmsd (weighted)= 10.759 (unweighted)= 25.6292 superimposing iter= 2 total_weight= 1011.75 rmsd (weighted)= 8.76049 (unweighted)= 26.0369 superimposing iter= 3 total_weight= 819.576 rmsd (weighted)= 7.99076 (unweighted)= 26.309 superimposing iter= 4 total_weight= 751.979 rmsd (weighted)= 7.62213 (unweighted)= 26.5111 superimposing iter= 5 total_weight= 725.134 rmsd (weighted)= 7.40845 (unweighted)= 26.6691 EXPDTA T0300.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0300.try1-opt2.pdb ATOM 1 N MET A 1 27.507 2.293 -4.014 1.00 0.00 ATOM 2 CA MET A 1 26.229 1.578 -4.035 1.00 0.00 ATOM 3 CB MET A 1 26.574 0.162 -4.596 1.00 0.00 ATOM 4 CG MET A 1 26.707 -0.966 -3.663 1.00 0.00 ATOM 5 SD MET A 1 25.449 -2.176 -4.160 1.00 0.00 ATOM 6 CE MET A 1 25.629 -2.440 -5.954 1.00 0.00 ATOM 7 O MET A 1 26.318 1.835 -1.675 1.00 0.00 ATOM 8 C MET A 1 25.601 1.711 -2.667 1.00 0.00 ATOM 9 N ALA A 2 24.279 1.748 -2.605 1.00 0.00 ATOM 10 CA ALA A 2 23.554 1.934 -1.350 1.00 0.00 ATOM 11 CB ALA A 2 23.659 0.697 -0.474 1.00 0.00 ATOM 12 O ALA A 2 24.404 3.122 0.569 1.00 0.00 ATOM 13 C ALA A 2 24.068 3.173 -0.616 1.00 0.00 ATOM 14 N SER A 3 24.210 4.327 -1.483 1.00 0.00 ATOM 15 CA SER A 3 24.687 5.603 -0.957 1.00 0.00 ATOM 16 CB SER A 3 23.773 5.974 0.266 1.00 0.00 ATOM 17 OG SER A 3 24.132 5.179 1.385 1.00 0.00 ATOM 18 O SER A 3 26.731 6.733 -0.461 1.00 0.00 ATOM 19 C SER A 3 26.169 5.645 -0.603 1.00 0.00 ATOM 20 N LYS A 4 26.806 4.525 -0.421 1.00 0.00 ATOM 21 CA LYS A 4 28.214 4.498 -0.028 1.00 0.00 ATOM 22 CB LYS A 4 28.421 3.351 1.033 1.00 0.00 ATOM 23 CG LYS A 4 27.571 3.444 2.290 1.00 0.00 ATOM 24 CD LYS A 4 27.937 4.679 3.093 1.00 0.00 ATOM 25 CE LYS A 4 27.050 4.856 4.323 1.00 0.00 ATOM 26 NZ LYS A 4 25.634 5.171 3.976 1.00 0.00 ATOM 27 O LYS A 4 29.041 3.845 -2.182 1.00 0.00 ATOM 28 C LYS A 4 29.180 4.575 -1.206 1.00 0.00 ATOM 29 N LYS A 5 30.131 5.519 -1.152 1.00 0.00 ATOM 30 CA LYS A 5 31.116 5.687 -2.209 1.00 0.00 ATOM 31 CB LYS A 5 32.073 6.832 -1.872 1.00 0.00 ATOM 32 CG LYS A 5 33.115 7.107 -2.944 1.00 0.00 ATOM 33 CD LYS A 5 33.985 8.298 -2.576 1.00 0.00 ATOM 34 CE LYS A 5 35.058 8.542 -3.625 1.00 0.00 ATOM 35 NZ LYS A 5 35.933 9.692 -3.266 1.00 0.00 ATOM 36 O LYS A 5 32.091 3.930 -3.540 1.00 0.00 ATOM 37 C LYS A 5 31.968 4.412 -2.421 1.00 0.00 ATOM 38 N PRO A 6 32.557 3.880 -1.348 1.00 0.00 ATOM 39 CA PRO A 6 33.372 2.666 -1.422 1.00 0.00 ATOM 40 CB PRO A 6 33.845 2.449 0.017 1.00 0.00 ATOM 41 CG PRO A 6 33.868 3.816 0.613 1.00 0.00 ATOM 42 CD PRO A 6 32.674 4.536 0.050 1.00 0.00 ATOM 43 O PRO A 6 33.154 0.666 -2.723 1.00 0.00 ATOM 44 C PRO A 6 32.604 1.472 -1.970 1.00 0.00 ATOM 45 N ASP A 7 31.271 1.333 -1.582 1.00 0.00 ATOM 46 CA ASP A 7 30.423 0.253 -2.063 1.00 0.00 ATOM 47 CB ASP A 7 29.080 0.251 -1.311 1.00 0.00 ATOM 48 CG ASP A 7 29.221 -0.241 0.113 1.00 0.00 ATOM 49 OD1 ASP A 7 30.271 -0.750 0.542 1.00 0.00 ATOM 50 OD2 ASP A 7 28.197 -0.065 0.817 1.00 0.00 ATOM 51 O ASP A 7 30.249 -0.601 -4.308 1.00 0.00 ATOM 52 C ASP A 7 30.248 0.394 -3.575 1.00 0.00 ATOM 53 N LYS A 8 30.109 1.650 -4.035 1.00 0.00 ATOM 54 CA LYS A 8 29.946 1.924 -5.461 1.00 0.00 ATOM 55 CB LYS A 8 29.860 3.333 -5.776 1.00 0.00 ATOM 56 CG LYS A 8 28.458 3.795 -5.386 1.00 0.00 ATOM 57 CD LYS A 8 28.244 5.276 -5.607 1.00 0.00 ATOM 58 CE LYS A 8 26.838 5.648 -5.158 1.00 0.00 ATOM 59 NZ LYS A 8 26.607 7.126 -5.265 1.00 0.00 ATOM 60 O LYS A 8 31.133 0.997 -7.313 1.00 0.00 ATOM 61 C LYS A 8 31.205 1.517 -6.218 1.00 0.00 ATOM 62 N THR A 9 32.354 1.752 -5.602 1.00 0.00 ATOM 63 CA THR A 9 33.633 1.411 -6.212 1.00 0.00 ATOM 64 CB THR A 9 34.811 2.035 -5.440 1.00 0.00 ATOM 65 CG2 THR A 9 36.135 1.633 -6.073 1.00 0.00 ATOM 66 OG1 THR A 9 34.699 3.464 -5.466 1.00 0.00 ATOM 67 O THR A 9 34.287 -0.701 -7.156 1.00 0.00 ATOM 68 C THR A 9 33.787 -0.115 -6.205 1.00 0.00 ATOM 69 N TYR A 10 33.221 -0.776 -5.092 1.00 0.00 ATOM 70 CA TYR A 10 33.214 -2.233 -4.948 1.00 0.00 ATOM 71 CB TYR A 10 32.564 -2.638 -3.624 1.00 0.00 ATOM 72 CG TYR A 10 32.479 -4.134 -3.416 1.00 0.00 ATOM 73 CD1 TYR A 10 33.586 -4.856 -2.988 1.00 0.00 ATOM 74 CD2 TYR A 10 31.293 -4.817 -3.646 1.00 0.00 ATOM 75 CE1 TYR A 10 33.518 -6.223 -2.796 1.00 0.00 ATOM 76 CE2 TYR A 10 31.207 -6.185 -3.459 1.00 0.00 ATOM 77 CZ TYR A 10 32.332 -6.884 -3.029 1.00 0.00 ATOM 78 OH TYR A 10 32.262 -8.246 -2.839 1.00 0.00 ATOM 79 O TYR A 10 32.924 -3.831 -6.734 1.00 0.00 ATOM 80 C TYR A 10 32.435 -2.899 -6.092 1.00 0.00 ATOM 81 N GLU A 11 31.235 -2.404 -6.319 1.00 0.00 ATOM 82 CA GLU A 11 30.391 -2.941 -7.373 1.00 0.00 ATOM 83 CB GLU A 11 28.996 -2.328 -7.278 1.00 0.00 ATOM 84 CG GLU A 11 28.025 -2.825 -8.345 1.00 0.00 ATOM 85 CD GLU A 11 27.546 -4.234 -8.071 1.00 0.00 ATOM 86 OE1 GLU A 11 27.750 -4.774 -6.975 1.00 0.00 ATOM 87 OE2 GLU A 11 26.917 -4.792 -8.977 1.00 0.00 ATOM 88 O GLU A 11 31.031 -3.662 -9.585 1.00 0.00 ATOM 89 C GLU A 11 31.004 -2.741 -8.769 1.00 0.00 ATOM 90 N GLU A 12 31.520 -1.552 -9.042 1.00 0.00 ATOM 91 CA GLU A 12 32.121 -1.336 -10.339 1.00 0.00 ATOM 92 CB GLU A 12 32.645 0.096 -10.454 1.00 0.00 ATOM 93 CG GLU A 12 31.554 1.149 -10.566 1.00 0.00 ATOM 94 CD GLU A 12 32.104 2.562 -10.554 1.00 0.00 ATOM 95 OE1 GLU A 12 33.331 2.721 -10.384 1.00 0.00 ATOM 96 OE2 GLU A 12 31.308 3.511 -10.715 1.00 0.00 ATOM 97 O GLU A 12 33.505 -2.828 -11.641 1.00 0.00 ATOM 98 C GLU A 12 33.314 -2.295 -10.542 1.00 0.00 ATOM 99 N MET A 13 34.094 -2.504 -9.485 1.00 0.00 ATOM 100 CA MET A 13 35.255 -3.396 -9.609 1.00 0.00 ATOM 101 CB MET A 13 36.080 -3.470 -8.369 1.00 0.00 ATOM 102 CG MET A 13 36.874 -2.194 -8.125 1.00 0.00 ATOM 103 SD MET A 13 37.718 -1.605 -9.618 1.00 0.00 ATOM 104 CE MET A 13 38.716 -3.018 -10.012 1.00 0.00 ATOM 105 O MET A 13 35.398 -5.562 -10.678 1.00 0.00 ATOM 106 C MET A 13 34.800 -4.843 -9.861 1.00 0.00 ATOM 107 N VAL A 14 33.769 -5.294 -9.168 1.00 0.00 ATOM 108 CA VAL A 14 33.263 -6.645 -9.393 1.00 0.00 ATOM 109 CB VAL A 14 32.121 -7.035 -8.436 1.00 0.00 ATOM 110 CG1 VAL A 14 31.519 -8.371 -8.841 1.00 0.00 ATOM 111 CG2 VAL A 14 32.639 -7.152 -7.010 1.00 0.00 ATOM 112 O VAL A 14 32.956 -7.893 -11.414 1.00 0.00 ATOM 113 C VAL A 14 32.771 -6.823 -10.827 1.00 0.00 ATOM 114 N LYS A 15 32.156 -5.792 -11.371 1.00 0.00 ATOM 115 CA LYS A 15 31.678 -5.857 -12.758 1.00 0.00 ATOM 116 CB LYS A 15 30.903 -4.593 -13.136 1.00 0.00 ATOM 117 CG LYS A 15 29.549 -4.469 -12.456 1.00 0.00 ATOM 118 CD LYS A 15 28.832 -3.196 -12.880 1.00 0.00 ATOM 119 CE LYS A 15 27.494 -3.056 -12.175 1.00 0.00 ATOM 120 NZ LYS A 15 26.792 -1.801 -12.562 1.00 0.00 ATOM 121 O LYS A 15 32.734 -6.805 -14.698 1.00 0.00 ATOM 122 C LYS A 15 32.840 -6.049 -13.731 1.00 0.00 ATOM 123 N GLU A 16 33.950 -5.387 -13.456 1.00 0.00 ATOM 124 CA GLU A 16 35.124 -5.516 -14.308 1.00 0.00 ATOM 125 CB GLU A 16 36.202 -4.542 -13.921 1.00 0.00 ATOM 126 CG GLU A 16 37.405 -4.597 -14.856 1.00 0.00 ATOM 127 CD GLU A 16 37.077 -4.133 -16.264 1.00 0.00 ATOM 128 OE1 GLU A 16 36.282 -3.177 -16.428 1.00 0.00 ATOM 129 OE2 GLU A 16 37.651 -4.711 -17.207 1.00 0.00 ATOM 130 O GLU A 16 36.010 -7.582 -15.178 1.00 0.00 ATOM 131 C GLU A 16 35.646 -6.954 -14.185 1.00 0.00 ATOM 132 N VAL A 17 35.679 -7.486 -12.963 1.00 0.00 ATOM 133 CA VAL A 17 36.144 -8.865 -12.754 1.00 0.00 ATOM 134 CB VAL A 17 36.250 -9.168 -11.224 1.00 0.00 ATOM 135 CG1 VAL A 17 36.541 -10.628 -11.002 1.00 0.00 ATOM 136 CG2 VAL A 17 37.335 -8.290 -10.607 1.00 0.00 ATOM 137 O VAL A 17 35.669 -10.793 -14.099 1.00 0.00 ATOM 138 C VAL A 17 35.209 -9.838 -13.487 1.00 0.00 ATOM 139 N GLU A 18 33.905 -9.597 -13.408 1.00 0.00 ATOM 140 CA GLU A 18 32.926 -10.440 -14.091 1.00 0.00 ATOM 141 CB GLU A 18 31.518 -10.012 -13.758 1.00 0.00 ATOM 142 CG GLU A 18 30.441 -10.897 -14.360 1.00 0.00 ATOM 143 CD GLU A 18 29.035 -10.454 -13.986 1.00 0.00 ATOM 144 OE1 GLU A 18 28.620 -9.359 -14.421 1.00 0.00 ATOM 145 OE2 GLU A 18 28.344 -11.198 -13.254 1.00 0.00 ATOM 146 O GLU A 18 33.060 -11.377 -16.292 1.00 0.00 ATOM 147 C GLU A 18 33.050 -10.368 -15.613 1.00 0.00 ATOM 148 N ARG A 19 33.203 -9.158 -16.163 1.00 0.00 ATOM 149 CA ARG A 19 33.359 -8.999 -17.609 1.00 0.00 ATOM 150 CB ARG A 19 33.416 -7.574 -18.031 1.00 0.00 ATOM 151 CG ARG A 19 32.042 -6.926 -17.965 1.00 0.00 ATOM 152 CD ARG A 19 31.084 -7.384 -19.082 1.00 0.00 ATOM 153 NE ARG A 19 31.475 -6.775 -20.350 1.00 0.00 ATOM 154 CZ ARG A 19 31.113 -5.555 -20.729 1.00 0.00 ATOM 155 NH1 ARG A 19 30.349 -4.815 -19.935 1.00 0.00 ATOM 156 NH2 ARG A 19 31.533 -5.072 -21.894 1.00 0.00 ATOM 157 O ARG A 19 34.576 -10.394 -19.143 1.00 0.00 ATOM 158 C ARG A 19 34.596 -9.711 -18.110 1.00 0.00 ATOM 159 N LEU A 20 35.786 -9.564 -17.385 1.00 0.00 ATOM 160 CA LEU A 20 37.051 -10.185 -17.761 1.00 0.00 ATOM 161 CB LEU A 20 38.208 -9.387 -17.182 1.00 0.00 ATOM 162 CG LEU A 20 38.403 -7.982 -17.735 1.00 0.00 ATOM 163 CD1 LEU A 20 39.509 -7.281 -16.984 1.00 0.00 ATOM 164 CD2 LEU A 20 38.747 -8.011 -19.208 1.00 0.00 ATOM 165 O LEU A 20 38.108 -12.285 -17.641 1.00 0.00 ATOM 166 C LEU A 20 37.122 -11.631 -17.332 1.00 0.00 ATOM 167 N LYS A 21 36.139 -12.099 -16.563 1.00 0.00 ATOM 168 CA LYS A 21 36.153 -13.463 -16.016 1.00 0.00 ATOM 169 CB LYS A 21 35.306 -14.366 -17.161 1.00 0.00 ATOM 170 CG LYS A 21 34.074 -13.826 -17.834 1.00 0.00 ATOM 171 CD LYS A 21 33.723 -14.691 -19.032 1.00 0.00 ATOM 172 CE LYS A 21 32.493 -14.166 -19.727 1.00 0.00 ATOM 173 NZ LYS A 21 32.104 -15.013 -20.883 1.00 0.00 ATOM 174 O LYS A 21 38.202 -14.631 -15.615 1.00 0.00 ATOM 175 C LYS A 21 37.484 -13.683 -15.331 1.00 0.00 ATOM 176 N LEU A 22 37.856 -12.709 -14.483 1.00 0.00 ATOM 177 CA LEU A 22 39.174 -12.775 -13.856 1.00 0.00 ATOM 178 CB LEU A 22 39.457 -11.503 -13.055 1.00 0.00 ATOM 179 CG LEU A 22 40.804 -11.443 -12.332 1.00 0.00 ATOM 180 CD1 LEU A 22 41.952 -11.512 -13.326 1.00 0.00 ATOM 181 CD2 LEU A 22 40.934 -10.148 -11.543 1.00 0.00 ATOM 182 O LEU A 22 40.245 -14.680 -12.864 1.00 0.00 ATOM 183 C LEU A 22 39.255 -13.973 -12.909 1.00 0.00 ATOM 184 N GLU A 23 38.230 -14.168 -12.085 1.00 0.00 ATOM 185 CA GLU A 23 38.190 -15.279 -11.143 1.00 0.00 ATOM 186 CB GLU A 23 36.903 -15.236 -10.316 1.00 0.00 ATOM 187 CG GLU A 23 36.851 -14.098 -9.309 1.00 0.00 ATOM 188 CD GLU A 23 35.516 -14.011 -8.598 1.00 0.00 ATOM 189 OE1 GLU A 23 34.606 -14.793 -8.944 1.00 0.00 ATOM 190 OE2 GLU A 23 35.380 -13.161 -7.692 1.00 0.00 ATOM 191 O GLU A 23 38.880 -17.538 -11.439 1.00 0.00 ATOM 192 C GLU A 23 38.228 -16.610 -11.878 1.00 0.00 ATOM 193 N ASN A 24 37.478 -16.695 -12.968 1.00 0.00 ATOM 194 CA ASN A 24 37.459 -17.942 -13.724 1.00 0.00 ATOM 195 CB ASN A 24 36.488 -17.862 -14.904 1.00 0.00 ATOM 196 CG ASN A 24 35.037 -17.915 -14.466 1.00 0.00 ATOM 197 ND2 ASN A 24 34.143 -17.453 -15.333 1.00 0.00 ATOM 198 OD1 ASN A 24 34.726 -18.366 -13.364 1.00 0.00 ATOM 199 O ASN A 24 39.303 -19.412 -14.159 1.00 0.00 ATOM 200 C ASN A 24 38.847 -18.274 -14.261 1.00 0.00 ATOM 201 N LYS A 25 39.505 -17.283 -14.845 1.00 0.00 ATOM 202 CA LYS A 25 40.846 -17.477 -15.379 1.00 0.00 ATOM 203 CB LYS A 25 41.407 -16.311 -16.096 1.00 0.00 ATOM 204 CG LYS A 25 40.672 -16.031 -17.404 1.00 0.00 ATOM 205 CD LYS A 25 41.235 -14.783 -18.090 1.00 0.00 ATOM 206 CE LYS A 25 40.398 -14.382 -19.299 1.00 0.00 ATOM 207 NZ LYS A 25 40.317 -15.462 -20.316 1.00 0.00 ATOM 208 O LYS A 25 42.584 -18.879 -14.497 1.00 0.00 ATOM 209 C LYS A 25 41.836 -17.920 -14.304 1.00 0.00 ATOM 210 N THR A 26 41.821 -17.225 -13.168 1.00 0.00 ATOM 211 CA THR A 26 42.721 -17.539 -12.065 1.00 0.00 ATOM 212 CB THR A 26 42.709 -16.301 -11.079 1.00 0.00 ATOM 213 CG2 THR A 26 43.603 -16.528 -9.878 1.00 0.00 ATOM 214 OG1 THR A 26 43.222 -15.179 -11.793 1.00 0.00 ATOM 215 O THR A 26 43.315 -19.644 -11.084 1.00 0.00 ATOM 216 C THR A 26 42.405 -18.900 -11.443 1.00 0.00 ATOM 217 N LEU A 27 41.119 -19.225 -11.329 1.00 0.00 ATOM 218 CA LEU A 27 40.710 -20.516 -10.776 1.00 0.00 ATOM 219 CB LEU A 27 39.187 -20.594 -10.639 1.00 0.00 ATOM 220 CG LEU A 27 38.567 -19.794 -9.494 1.00 0.00 ATOM 221 CD1 LEU A 27 37.050 -19.841 -9.601 1.00 0.00 ATOM 222 CD2 LEU A 27 39.043 -20.348 -8.148 1.00 0.00 ATOM 223 O LEU A 27 41.672 -22.679 -11.165 1.00 0.00 ATOM 224 C LEU A 27 41.192 -21.663 -11.661 1.00 0.00 ATOM 225 N LYS A 28 41.081 -21.482 -12.973 1.00 0.00 ATOM 226 CA LYS A 28 41.511 -22.497 -13.927 1.00 0.00 ATOM 227 CB LYS A 28 41.130 -22.072 -15.350 1.00 0.00 ATOM 228 CG LYS A 28 41.286 -23.160 -16.399 1.00 0.00 ATOM 229 CD LYS A 28 40.726 -22.710 -17.742 1.00 0.00 ATOM 230 CE LYS A 28 40.868 -23.805 -18.788 1.00 0.00 ATOM 231 NZ LYS A 28 40.342 -23.389 -20.119 1.00 0.00 ATOM 232 O LYS A 28 43.495 -23.825 -13.730 1.00 0.00 ATOM 233 C LYS A 28 43.016 -22.694 -13.772 1.00 0.00 ATOM 234 N GLN A 29 43.752 -21.598 -13.688 1.00 0.00 ATOM 235 CA GLN A 29 45.201 -21.690 -13.543 1.00 0.00 ATOM 236 CB GLN A 29 45.840 -20.303 -13.642 1.00 0.00 ATOM 237 CG GLN A 29 45.765 -19.683 -15.028 1.00 0.00 ATOM 238 CD GLN A 29 46.307 -18.267 -15.063 1.00 0.00 ATOM 239 OE1 GLN A 29 46.652 -17.699 -14.026 1.00 0.00 ATOM 240 NE2 GLN A 29 46.383 -17.693 -16.257 1.00 0.00 ATOM 241 O GLN A 29 46.539 -23.051 -12.094 1.00 0.00 ATOM 242 C GLN A 29 45.559 -22.313 -12.205 1.00 0.00 ATOM 243 N LYS A 30 44.779 -21.990 -11.185 1.00 0.00 ATOM 244 CA LYS A 30 45.018 -22.548 -9.859 1.00 0.00 ATOM 245 CB LYS A 30 44.098 -21.919 -8.811 1.00 0.00 ATOM 246 CG LYS A 30 44.431 -20.474 -8.478 1.00 0.00 ATOM 247 CD LYS A 30 43.483 -19.916 -7.430 1.00 0.00 ATOM 248 CE LYS A 30 43.795 -18.461 -7.121 1.00 0.00 ATOM 249 NZ LYS A 30 42.859 -17.894 -6.111 1.00 0.00 ATOM 250 O LYS A 30 45.602 -24.806 -9.319 1.00 0.00 ATOM 251 C LYS A 30 44.814 -24.052 -9.891 1.00 0.00 ATOM 252 N VAL A 31 43.782 -24.482 -10.614 1.00 0.00 ATOM 253 CA VAL A 31 43.494 -25.903 -10.737 1.00 0.00 ATOM 254 CB VAL A 31 42.223 -26.184 -11.560 1.00 0.00 ATOM 255 CG1 VAL A 31 42.091 -27.685 -11.843 1.00 0.00 ATOM 256 CG2 VAL A 31 41.009 -25.700 -10.787 1.00 0.00 ATOM 257 O VAL A 31 45.146 -27.651 -10.961 1.00 0.00 ATOM 258 C VAL A 31 44.694 -26.595 -11.409 1.00 0.00 ATOM 259 N LYS A 32 45.226 -25.964 -12.456 1.00 0.00 ATOM 260 CA LYS A 32 46.406 -26.469 -13.164 1.00 0.00 ATOM 261 CB LYS A 32 46.720 -25.597 -14.383 1.00 0.00 ATOM 262 CG LYS A 32 45.683 -25.682 -15.489 1.00 0.00 ATOM 263 CD LYS A 32 46.059 -24.795 -16.666 1.00 0.00 ATOM 264 CE LYS A 32 45.008 -24.861 -17.764 1.00 0.00 ATOM 265 NZ LYS A 32 45.345 -23.972 -18.910 1.00 0.00 ATOM 266 O LYS A 32 48.345 -27.500 -12.195 1.00 0.00 ATOM 267 C LYS A 32 47.624 -26.506 -12.262 1.00 0.00 ATOM 268 N SER A 33 47.812 -25.447 -11.485 1.00 0.00 ATOM 269 CA SER A 33 48.935 -25.369 -10.562 1.00 0.00 ATOM 270 CB SER A 33 48.944 -24.019 -9.841 1.00 0.00 ATOM 271 OG SER A 33 49.206 -22.960 -10.745 1.00 0.00 ATOM 272 O SER A 33 49.834 -27.113 -9.179 1.00 0.00 ATOM 273 C SER A 33 48.841 -26.447 -9.496 1.00 0.00 ATOM 274 N SER A 34 47.663 -26.594 -8.904 1.00 0.00 ATOM 275 CA SER A 34 47.471 -27.585 -7.851 1.00 0.00 ATOM 276 CB SER A 34 46.127 -27.415 -7.193 1.00 0.00 ATOM 277 OG SER A 34 44.996 -27.591 -8.047 1.00 0.00 ATOM 278 O SER A 34 48.286 -29.840 -7.801 1.00 0.00 ATOM 279 C SER A 34 47.616 -29.003 -8.405 1.00 0.00 ATOM 280 N GLY A 35 46.963 -29.252 -9.514 1.00 0.00 ATOM 281 CA GLY A 35 47.069 -30.562 -10.129 1.00 0.00 ATOM 282 O GLY A 35 48.896 -32.051 -10.520 1.00 0.00 ATOM 283 C GLY A 35 48.513 -30.881 -10.468 1.00 0.00 ATOM 284 N ALA A 36 49.306 -29.840 -10.706 1.00 0.00 ATOM 285 CA ALA A 36 50.710 -30.022 -11.055 1.00 0.00 ATOM 286 CB ALA A 36 51.199 -29.073 -12.117 1.00 0.00 ATOM 287 O ALA A 36 52.808 -30.229 -9.927 1.00 0.00 ATOM 288 C ALA A 36 51.620 -29.896 -9.845 1.00 0.00 ATOM 289 N VAL A 37 51.129 -29.444 -8.620 1.00 0.00 ATOM 290 CA VAL A 37 51.889 -29.353 -7.381 1.00 0.00 ATOM 291 CB VAL A 37 51.107 -28.683 -6.260 1.00 0.00 ATOM 292 CG1 VAL A 37 49.827 -29.427 -5.909 1.00 0.00 ATOM 293 CG2 VAL A 37 51.946 -28.513 -4.999 1.00 0.00 ATOM 294 O VAL A 37 51.755 -31.747 -7.299 1.00 0.00 ATOM 295 C VAL A 37 52.386 -30.751 -6.968 1.00 0.00 ATOM 296 N SER A 38 53.569 -30.846 -6.383 1.00 0.00 ATOM 297 CA SER A 38 54.071 -32.166 -5.983 1.00 0.00 ATOM 298 CB SER A 38 55.544 -32.057 -5.497 1.00 0.00 ATOM 299 OG SER A 38 56.060 -33.332 -5.156 1.00 0.00 ATOM 300 O SER A 38 52.749 -32.266 -4.001 1.00 0.00 ATOM 301 C SER A 38 53.180 -32.883 -4.980 1.00 0.00 ATOM 302 N SER A 39 53.032 -34.213 -5.186 1.00 0.00 ATOM 303 CA SER A 39 52.330 -35.024 -4.195 1.00 0.00 ATOM 304 CB SER A 39 52.206 -36.468 -4.687 1.00 0.00 ATOM 305 OG SER A 39 53.464 -37.120 -4.680 1.00 0.00 ATOM 306 O SER A 39 52.442 -35.030 -1.794 1.00 0.00 ATOM 307 C SER A 39 53.059 -34.980 -2.855 1.00 0.00 ATOM 308 N ASP A 40 54.385 -34.900 -2.920 1.00 0.00 ATOM 309 CA ASP A 40 55.229 -34.840 -1.731 1.00 0.00 ATOM 310 CB ASP A 40 56.113 -36.085 -1.638 1.00 0.00 ATOM 311 CG ASP A 40 56.882 -36.158 -0.335 1.00 0.00 ATOM 312 OD1 ASP A 40 56.619 -35.324 0.558 1.00 0.00 ATOM 313 OD2 ASP A 40 57.748 -37.049 -0.204 1.00 0.00 ATOM 314 O ASP A 40 57.329 -33.699 -2.010 1.00 0.00 ATOM 315 C ASP A 40 56.124 -33.603 -1.797 1.00 0.00 ATOM 316 N ASP A 41 55.540 -32.420 -1.579 1.00 0.00 ATOM 317 CA ASP A 41 56.320 -31.183 -1.626 1.00 0.00 ATOM 318 CB ASP A 41 55.380 -29.987 -1.959 1.00 0.00 ATOM 319 CG ASP A 41 54.272 -29.857 -0.934 1.00 0.00 ATOM 320 OD1 ASP A 41 54.532 -29.362 0.185 1.00 0.00 ATOM 321 OD2 ASP A 41 53.143 -30.264 -1.263 1.00 0.00 ATOM 322 O ASP A 41 56.942 -31.461 0.663 1.00 0.00 ATOM 323 C ASP A 41 57.260 -31.034 -0.440 1.00 0.00 ATOM 324 N SER A 42 58.434 -30.317 -0.737 1.00 0.00 ATOM 325 CA SER A 42 59.350 -30.111 0.381 1.00 0.00 ATOM 326 CB SER A 42 60.708 -29.620 -0.124 1.00 0.00 ATOM 327 OG SER A 42 60.609 -28.315 -0.666 1.00 0.00 ATOM 328 O SER A 42 57.779 -28.379 0.906 1.00 0.00 ATOM 329 C SER A 42 58.711 -29.081 1.302 1.00 0.00 ATOM 330 N ILE A 43 59.184 -28.991 2.552 1.00 0.00 ATOM 331 CA ILE A 43 58.607 -28.002 3.462 1.00 0.00 ATOM 332 CB ILE A 43 59.325 -28.004 4.824 1.00 0.00 ATOM 333 CG1 ILE A 43 59.025 -29.296 5.584 1.00 0.00 ATOM 334 CG2 ILE A 43 58.864 -26.828 5.671 1.00 0.00 ATOM 335 CD1 ILE A 43 59.895 -29.504 6.805 1.00 0.00 ATOM 336 O ILE A 43 57.858 -25.771 2.949 1.00 0.00 ATOM 337 C ILE A 43 58.753 -26.608 2.840 1.00 0.00 ATOM 338 N LEU A 44 59.939 -26.325 2.154 1.00 0.00 ATOM 339 CA LEU A 44 60.165 -25.046 1.483 1.00 0.00 ATOM 340 CB LEU A 44 61.514 -25.052 0.761 1.00 0.00 ATOM 341 CG LEU A 44 62.759 -25.050 1.649 1.00 0.00 ATOM 342 CD1 LEU A 44 64.016 -25.240 0.815 1.00 0.00 ATOM 343 CD2 LEU A 44 62.882 -23.734 2.402 1.00 0.00 ATOM 344 O LEU A 44 58.528 -23.665 0.378 1.00 0.00 ATOM 345 C LEU A 44 59.063 -24.780 0.463 1.00 0.00 ATOM 346 N THR A 45 58.725 -25.783 -0.312 1.00 0.00 ATOM 347 CA THR A 45 57.680 -25.657 -1.326 1.00 0.00 ATOM 348 CB THR A 45 57.551 -26.942 -2.165 1.00 0.00 ATOM 349 CG2 THR A 45 56.439 -26.798 -3.191 1.00 0.00 ATOM 350 OG1 THR A 45 58.784 -27.196 -2.849 1.00 0.00 ATOM 351 O THR A 45 55.526 -24.591 -1.237 1.00 0.00 ATOM 352 C THR A 45 56.317 -25.372 -0.701 1.00 0.00 ATOM 353 N ALA A 46 56.037 -26.023 0.424 1.00 0.00 ATOM 354 CA ALA A 46 54.777 -25.829 1.125 1.00 0.00 ATOM 355 CB ALA A 46 54.693 -26.757 2.328 1.00 0.00 ATOM 356 O ALA A 46 53.636 -23.744 1.384 1.00 0.00 ATOM 357 C ALA A 46 54.672 -24.380 1.561 1.00 0.00 ATOM 358 N ALA A 47 55.768 -23.835 2.087 1.00 0.00 ATOM 359 CA ALA A 47 55.782 -22.448 2.536 1.00 0.00 ATOM 360 CB ALA A 47 57.115 -22.102 3.184 1.00 0.00 ATOM 361 O ALA A 47 54.800 -20.587 1.412 1.00 0.00 ATOM 362 C ALA A 47 55.561 -21.531 1.326 1.00 0.00 ATOM 363 N LYS A 48 56.282 -21.824 0.229 1.00 0.00 ATOM 364 CA LYS A 48 56.153 -21.003 -0.966 1.00 0.00 ATOM 365 CB LYS A 48 57.073 -21.535 -2.067 1.00 0.00 ATOM 366 CG LYS A 48 57.025 -20.730 -3.356 1.00 0.00 ATOM 367 CD LYS A 48 58.012 -21.269 -4.380 1.00 0.00 ATOM 368 CE LYS A 48 57.930 -20.496 -5.686 1.00 0.00 ATOM 369 NZ LYS A 48 58.874 -21.028 -6.706 1.00 0.00 ATOM 370 O LYS A 48 54.261 -19.898 -1.932 1.00 0.00 ATOM 371 C LYS A 48 54.748 -20.963 -1.553 1.00 0.00 ATOM 372 N ARG A 49 54.098 -22.108 -1.637 1.00 0.00 ATOM 373 CA ARG A 49 52.740 -22.168 -2.173 1.00 0.00 ATOM 374 CB ARG A 49 52.228 -23.592 -2.268 1.00 0.00 ATOM 375 CG ARG A 49 53.185 -24.525 -2.997 1.00 0.00 ATOM 376 CD ARG A 49 52.664 -24.945 -4.356 1.00 0.00 ATOM 377 NE ARG A 49 53.700 -25.594 -5.159 1.00 0.00 ATOM 378 CZ ARG A 49 53.492 -26.127 -6.360 1.00 0.00 ATOM 379 NH1 ARG A 49 52.282 -26.098 -6.901 1.00 0.00 ATOM 380 NH2 ARG A 49 54.500 -26.664 -7.033 1.00 0.00 ATOM 381 O ARG A 49 50.884 -20.677 -1.843 1.00 0.00 ATOM 382 C ARG A 49 51.758 -21.367 -1.322 1.00 0.00 ATOM 383 N GLU A 50 51.901 -21.474 -0.008 1.00 0.00 ATOM 384 CA GLU A 50 51.042 -20.745 0.914 1.00 0.00 ATOM 385 CB GLU A 50 51.379 -21.035 2.378 1.00 0.00 ATOM 386 CG GLU A 50 50.464 -20.344 3.375 1.00 0.00 ATOM 387 CD GLU A 50 50.809 -20.681 4.813 1.00 0.00 ATOM 388 OE1 GLU A 50 51.757 -21.465 5.028 1.00 0.00 ATOM 389 OE2 GLU A 50 50.131 -20.160 5.724 1.00 0.00 ATOM 390 O GLU A 50 50.205 -18.510 0.576 1.00 0.00 ATOM 391 C GLU A 50 51.193 -19.238 0.698 1.00 0.00 ATOM 392 N SER A 51 52.416 -18.766 0.572 1.00 0.00 ATOM 393 CA SER A 51 52.665 -17.359 0.287 1.00 0.00 ATOM 394 CB SER A 51 54.185 -17.088 0.512 1.00 0.00 ATOM 395 OG SER A 51 54.600 -17.247 1.879 1.00 0.00 ATOM 396 O SER A 51 51.785 -15.810 -1.307 1.00 0.00 ATOM 397 C SER A 51 52.185 -16.953 -1.097 1.00 0.00 ATOM 398 N ILE A 52 52.292 -17.867 -2.059 1.00 0.00 ATOM 399 CA ILE A 52 51.843 -17.581 -3.420 1.00 0.00 ATOM 400 CB ILE A 52 52.052 -18.792 -4.349 1.00 0.00 ATOM 401 CG1 ILE A 52 53.545 -19.046 -4.565 1.00 0.00 ATOM 402 CG2 ILE A 52 51.404 -18.542 -5.702 1.00 0.00 ATOM 403 CD1 ILE A 52 53.848 -20.366 -5.239 1.00 0.00 ATOM 404 O ILE A 52 49.893 -16.268 -3.934 1.00 0.00 ATOM 405 C ILE A 52 50.349 -17.251 -3.351 1.00 0.00 ATOM 406 N ILE A 53 49.610 -18.093 -2.672 1.00 0.00 ATOM 407 CA ILE A 53 48.167 -17.879 -2.532 1.00 0.00 ATOM 408 CB ILE A 53 47.511 -19.009 -1.719 1.00 0.00 ATOM 409 CG1 ILE A 53 47.561 -20.325 -2.496 1.00 0.00 ATOM 410 CG2 ILE A 53 46.055 -18.678 -1.424 1.00 0.00 ATOM 411 CD1 ILE A 53 47.182 -21.537 -1.674 1.00 0.00 ATOM 412 O ILE A 53 46.985 -15.824 -2.249 1.00 0.00 ATOM 413 C ILE A 53 47.870 -16.565 -1.829 1.00 0.00 ATOM 414 N VAL A 54 48.602 -16.271 -0.756 1.00 0.00 ATOM 415 CA VAL A 54 48.374 -15.020 -0.046 1.00 0.00 ATOM 416 CB VAL A 54 49.267 -14.910 1.204 1.00 0.00 ATOM 417 CG1 VAL A 54 49.155 -13.524 1.819 1.00 0.00 ATOM 418 CG2 VAL A 54 48.851 -15.935 2.248 1.00 0.00 ATOM 419 O VAL A 54 47.788 -12.951 -1.109 1.00 0.00 ATOM 420 C VAL A 54 48.639 -13.842 -0.981 1.00 0.00 ATOM 421 N SER A 55 49.803 -13.811 -1.610 1.00 0.00 ATOM 422 CA SER A 55 50.101 -12.671 -2.486 1.00 0.00 ATOM 423 CB SER A 55 51.503 -12.803 -3.084 1.00 0.00 ATOM 424 OG SER A 55 52.496 -12.726 -2.077 1.00 0.00 ATOM 425 O SER A 55 48.744 -11.499 -4.083 1.00 0.00 ATOM 426 C SER A 55 49.113 -12.589 -3.638 1.00 0.00 ATOM 427 N SER A 56 48.715 -13.759 -4.168 1.00 0.00 ATOM 428 CA SER A 56 47.754 -13.795 -5.270 1.00 0.00 ATOM 429 CB SER A 56 47.425 -15.247 -5.626 1.00 0.00 ATOM 430 OG SER A 56 48.553 -15.906 -6.171 1.00 0.00 ATOM 431 O SER A 56 45.867 -12.325 -5.586 1.00 0.00 ATOM 432 C SER A 56 46.458 -13.103 -4.834 1.00 0.00 ATOM 433 N SER A 57 46.041 -13.366 -3.602 1.00 0.00 ATOM 434 CA SER A 57 44.801 -12.802 -3.077 1.00 0.00 ATOM 435 CB SER A 57 44.461 -13.445 -1.727 1.00 0.00 ATOM 436 OG SER A 57 45.186 -12.944 -0.683 1.00 0.00 ATOM 437 O SER A 57 43.825 -10.630 -2.822 1.00 0.00 ATOM 438 C SER A 57 44.862 -11.292 -2.893 1.00 0.00 ATOM 439 N ARG A 58 46.068 -10.743 -2.808 1.00 0.00 ATOM 440 CA ARG A 58 46.201 -9.304 -2.629 1.00 0.00 ATOM 441 CB ARG A 58 47.687 -9.308 -1.679 1.00 0.00 ATOM 442 CG ARG A 58 48.683 -8.532 -2.526 1.00 0.00 ATOM 443 CD ARG A 58 50.117 -8.826 -2.103 1.00 0.00 ATOM 444 NE ARG A 58 50.275 -8.847 -0.650 1.00 0.00 ATOM 445 CZ ARG A 58 51.420 -9.109 -0.028 1.00 0.00 ATOM 446 NH1 ARG A 58 52.516 -9.371 -0.731 1.00 0.00 ATOM 447 NH2 ARG A 58 51.470 -9.124 1.296 1.00 0.00 ATOM 448 O ARG A 58 46.212 -7.323 -3.969 1.00 0.00 ATOM 449 C ARG A 58 46.356 -8.544 -3.939 1.00 0.00 ATOM 450 N ALA A 59 46.654 -9.262 -5.018 1.00 0.00 ATOM 451 CA ALA A 59 46.854 -8.617 -6.310 1.00 0.00 ATOM 452 CB ALA A 59 48.239 -8.896 -6.869 1.00 0.00 ATOM 453 O ALA A 59 45.860 -8.399 -8.466 1.00 0.00 ATOM 454 C ALA A 59 45.884 -9.030 -7.410 1.00 0.00 ATOM 455 N LEU A 60 45.095 -10.067 -7.214 1.00 0.00 ATOM 456 CA LEU A 60 44.140 -10.510 -8.231 1.00 0.00 ATOM 457 CB LEU A 60 43.378 -11.749 -7.791 1.00 0.00 ATOM 458 CG LEU A 60 42.310 -12.208 -8.794 1.00 0.00 ATOM 459 CD1 LEU A 60 42.952 -12.714 -10.073 1.00 0.00 ATOM 460 CD2 LEU A 60 41.436 -13.282 -8.158 1.00 0.00 ATOM 461 O LEU A 60 42.932 -9.060 -9.734 1.00 0.00 ATOM 462 C LEU A 60 43.127 -9.408 -8.567 1.00 0.00 ATOM 463 N GLY A 61 42.484 -8.874 -7.529 1.00 0.00 ATOM 464 CA GLY A 61 41.484 -7.832 -7.729 1.00 0.00 ATOM 465 O GLY A 61 43.346 -6.379 -8.176 1.00 0.00 ATOM 466 C GLY A 61 42.109 -6.501 -8.134 1.00 0.00 ATOM 467 N ALA A 62 40.167 -5.842 -8.220 1.00 0.00 ATOM 468 CA ALA A 62 40.114 -5.394 -6.832 1.00 0.00 ATOM 469 CB ALA A 62 39.882 -3.892 -6.767 1.00 0.00 ATOM 470 O ALA A 62 39.299 -6.412 -4.828 1.00 0.00 ATOM 471 C ALA A 62 39.030 -6.008 -5.959 1.00 0.00 ATOM 472 N VAL A 63 37.806 -6.060 -6.469 1.00 0.00 ATOM 473 CA VAL A 63 36.698 -6.623 -5.710 1.00 0.00 ATOM 474 CB VAL A 63 35.368 -6.459 -6.438 1.00 0.00 ATOM 475 CG1 VAL A 63 34.281 -7.280 -5.737 1.00 0.00 ATOM 476 CG2 VAL A 63 34.987 -4.987 -6.460 1.00 0.00 ATOM 477 O VAL A 63 36.767 -8.618 -4.369 1.00 0.00 ATOM 478 C VAL A 63 36.976 -8.101 -5.466 1.00 0.00 ATOM 479 N ALA A 64 37.511 -8.761 -6.486 1.00 0.00 ATOM 480 CA ALA A 64 37.832 -10.179 -6.405 1.00 0.00 ATOM 481 CB ALA A 64 38.277 -10.698 -7.763 1.00 0.00 ATOM 482 O ALA A 64 38.892 -11.381 -4.617 1.00 0.00 ATOM 483 C ALA A 64 38.951 -10.433 -5.406 1.00 0.00 ATOM 484 N MET A 65 39.970 -9.580 -5.451 1.00 0.00 ATOM 485 CA MET A 65 41.111 -9.708 -4.554 1.00 0.00 ATOM 486 CB MET A 65 41.830 -8.186 -4.594 1.00 0.00 ATOM 487 CG MET A 65 43.356 -8.045 -4.546 1.00 0.00 ATOM 488 SD MET A 65 43.897 -6.304 -4.461 1.00 0.00 ATOM 489 CE MET A 65 43.507 -5.974 -2.833 1.00 0.00 ATOM 490 O MET A 65 41.070 -10.330 -2.242 1.00 0.00 ATOM 491 C MET A 65 40.671 -9.552 -3.104 1.00 0.00 ATOM 492 N ARG A 66 39.872 -8.529 -2.825 1.00 0.00 ATOM 493 CA ARG A 66 39.411 -8.316 -1.460 1.00 0.00 ATOM 494 CB ARG A 66 38.031 -7.333 -1.600 1.00 0.00 ATOM 495 CG ARG A 66 37.710 -6.325 -0.485 1.00 0.00 ATOM 496 CD ARG A 66 36.515 -5.443 -0.816 1.00 0.00 ATOM 497 NE ARG A 66 36.836 -4.409 -1.798 1.00 0.00 ATOM 498 CZ ARG A 66 37.449 -3.259 -1.520 1.00 0.00 ATOM 499 NH1 ARG A 66 37.815 -2.978 -0.276 1.00 0.00 ATOM 500 NH2 ARG A 66 37.701 -2.388 -2.489 1.00 0.00 ATOM 501 O ARG A 66 38.758 -9.921 0.201 1.00 0.00 ATOM 502 C ARG A 66 38.607 -9.508 -0.950 1.00 0.00 ATOM 503 N LYS A 67 37.778 -10.066 -1.820 1.00 0.00 ATOM 504 CA LYS A 67 36.949 -11.216 -1.456 1.00 0.00 ATOM 505 CB LYS A 67 35.919 -11.479 -2.598 1.00 0.00 ATOM 506 CG LYS A 67 34.920 -12.584 -2.311 1.00 0.00 ATOM 507 CD LYS A 67 33.922 -12.718 -3.456 1.00 0.00 ATOM 508 CE LYS A 67 32.893 -13.794 -3.161 1.00 0.00 ATOM 509 NZ LYS A 67 32.062 -13.438 -1.968 1.00 0.00 ATOM 510 O LYS A 67 37.582 -13.087 -0.096 1.00 0.00 ATOM 511 C LYS A 67 37.800 -12.433 -1.119 1.00 0.00 ATOM 512 N ILE A 68 38.765 -12.745 -1.979 1.00 0.00 ATOM 513 CA ILE A 68 39.619 -13.897 -1.731 1.00 0.00 ATOM 514 CB ILE A 68 40.586 -14.145 -2.903 1.00 0.00 ATOM 515 CG1 ILE A 68 39.815 -14.591 -4.146 1.00 0.00 ATOM 516 CG2 ILE A 68 41.592 -15.228 -2.543 1.00 0.00 ATOM 517 CD1 ILE A 68 40.647 -14.601 -5.410 1.00 0.00 ATOM 518 O ILE A 68 40.710 -14.662 0.252 1.00 0.00 ATOM 519 C ILE A 68 40.447 -13.700 -0.464 1.00 0.00 ATOM 520 N GLU A 69 40.940 -12.483 -0.231 1.00 0.00 ATOM 521 CA GLU A 69 41.735 -12.232 0.968 1.00 0.00 ATOM 522 CB GLU A 69 42.155 -10.763 1.034 1.00 0.00 ATOM 523 CG GLU A 69 43.053 -10.427 2.212 1.00 0.00 ATOM 524 CD GLU A 69 43.496 -8.977 2.214 1.00 0.00 ATOM 525 OE1 GLU A 69 43.114 -8.239 1.281 1.00 0.00 ATOM 526 OE2 GLU A 69 44.224 -8.578 3.147 1.00 0.00 ATOM 527 O GLU A 69 41.448 -13.175 3.160 1.00 0.00 ATOM 528 C GLU A 69 40.928 -12.571 2.221 1.00 0.00 ATOM 529 N ALA A 70 39.657 -12.182 2.221 1.00 0.00 ATOM 530 CA ALA A 70 38.775 -12.450 3.349 1.00 0.00 ATOM 531 CB ALA A 70 37.398 -11.854 3.098 1.00 0.00 ATOM 532 O ALA A 70 38.728 -14.421 4.732 1.00 0.00 ATOM 533 C ALA A 70 38.659 -13.950 3.592 1.00 0.00 ATOM 534 N LYS A 71 38.462 -14.706 2.518 1.00 0.00 ATOM 535 CA LYS A 71 38.285 -16.146 2.622 1.00 0.00 ATOM 536 CB LYS A 71 37.756 -16.722 1.297 1.00 0.00 ATOM 537 CG LYS A 71 36.300 -16.321 1.056 1.00 0.00 ATOM 538 CD LYS A 71 35.780 -16.781 -0.298 1.00 0.00 ATOM 539 CE LYS A 71 34.356 -16.267 -0.507 1.00 0.00 ATOM 540 NZ LYS A 71 33.609 -17.007 -1.578 1.00 0.00 ATOM 541 O LYS A 71 39.581 -17.745 3.859 1.00 0.00 ATOM 542 C LYS A 71 39.592 -16.826 3.050 1.00 0.00 ATOM 543 N VAL A 72 40.706 -16.403 2.496 1.00 0.00 ATOM 544 CA VAL A 72 41.975 -16.987 2.865 1.00 0.00 ATOM 545 CB VAL A 72 43.128 -16.371 2.051 1.00 0.00 ATOM 546 CG1 VAL A 72 44.471 -16.854 2.581 1.00 0.00 ATOM 547 CG2 VAL A 72 43.018 -16.768 0.586 1.00 0.00 ATOM 548 O VAL A 72 42.862 -17.613 5.002 1.00 0.00 ATOM 549 C VAL A 72 42.269 -16.758 4.344 1.00 0.00 ATOM 550 N ARG A 73 41.882 -15.593 4.854 1.00 0.00 ATOM 551 CA ARG A 73 42.127 -15.261 6.252 1.00 0.00 ATOM 552 CB ARG A 73 41.902 -13.718 6.415 1.00 0.00 ATOM 553 CG ARG A 73 42.874 -12.871 5.771 1.00 0.00 ATOM 554 CD ARG A 73 44.184 -12.700 6.558 1.00 0.00 ATOM 555 NE ARG A 73 45.295 -12.072 5.794 1.00 0.00 ATOM 556 CZ ARG A 73 46.136 -12.717 4.987 1.00 0.00 ATOM 557 NH1 ARG A 73 46.044 -14.029 4.801 1.00 0.00 ATOM 558 NH2 ARG A 73 47.091 -12.047 4.357 1.00 0.00 ATOM 559 O ARG A 73 41.835 -16.701 8.155 1.00 0.00 ATOM 560 C ARG A 73 41.327 -16.203 7.142 1.00 0.00 ATOM 561 N SER A 74 40.082 -16.530 6.757 1.00 0.00 ATOM 562 CA SER A 74 39.255 -17.456 7.523 1.00 0.00 ATOM 563 CB SER A 74 37.803 -17.489 7.045 1.00 0.00 ATOM 564 OG SER A 74 37.703 -18.067 5.756 1.00 0.00 ATOM 565 O SER A 74 39.849 -19.557 8.509 1.00 0.00 ATOM 566 C SER A 74 39.836 -18.862 7.494 1.00 0.00 ATOM 567 N ARG A 75 40.397 -19.242 6.352 1.00 0.00 ATOM 568 CA ARG A 75 41.010 -20.552 6.201 1.00 0.00 ATOM 569 CB ARG A 75 40.041 -21.492 5.480 1.00 0.00 ATOM 570 CG ARG A 75 40.524 -22.930 5.390 1.00 0.00 ATOM 571 CD ARG A 75 39.490 -23.818 4.719 1.00 0.00 ATOM 572 NE ARG A 75 39.975 -25.183 4.534 1.00 0.00 ATOM 573 CZ ARG A 75 39.285 -26.149 3.936 1.00 0.00 ATOM 574 NH1 ARG A 75 39.810 -27.361 3.814 1.00 0.00 ATOM 575 NH2 ARG A 75 38.073 -25.899 3.461 1.00 0.00 ATOM 576 O ARG A 75 42.250 -20.377 4.150 1.00 0.00 ATOM 577 C ARG A 75 42.287 -20.430 5.382 1.00 0.00 ATOM 578 N ALA A 76 43.409 -20.340 6.087 1.00 0.00 ATOM 579 CA ALA A 76 44.719 -20.211 5.465 1.00 0.00 ATOM 580 CB ALA A 76 45.803 -20.099 6.527 1.00 0.00 ATOM 581 O ALA A 76 44.519 -22.524 4.817 1.00 0.00 ATOM 582 C ALA A 76 44.991 -21.416 4.575 1.00 0.00 ATOM 583 N ALA A 77 45.776 -21.226 3.533 1.00 0.00 ATOM 584 CA ALA A 77 46.153 -22.310 2.628 1.00 0.00 ATOM 585 CB ALA A 77 46.919 -21.775 1.404 1.00 0.00 ATOM 586 O ALA A 77 47.680 -23.235 4.236 1.00 0.00 ATOM 587 C ALA A 77 46.823 -23.449 3.385 1.00 0.00 ATOM 588 N LYS A 78 46.467 -24.762 3.059 1.00 0.00 ATOM 589 CA LYS A 78 47.081 -25.924 3.677 1.00 0.00 ATOM 590 CB LYS A 78 45.973 -26.819 4.344 1.00 0.00 ATOM 591 CG LYS A 78 44.909 -26.079 5.167 1.00 0.00 ATOM 592 CD LYS A 78 45.508 -25.350 6.347 1.00 0.00 ATOM 593 CE LYS A 78 44.419 -24.621 7.135 1.00 0.00 ATOM 594 NZ LYS A 78 44.985 -23.880 8.286 1.00 0.00 ATOM 595 O LYS A 78 47.637 -27.119 1.678 1.00 0.00 ATOM 596 C LYS A 78 48.037 -26.410 2.595 1.00 0.00 ATOM 597 N ALA A 79 49.300 -26.020 2.705 1.00 0.00 ATOM 598 CA ALA A 79 50.289 -26.393 1.712 1.00 0.00 ATOM 599 CB ALA A 79 51.243 -25.234 1.467 1.00 0.00 ATOM 600 O ALA A 79 52.231 -27.784 1.549 1.00 0.00 ATOM 601 C ALA A 79 51.151 -27.587 2.107 1.00 0.00 ATOM 602 N VAL A 80 50.668 -28.388 3.053 1.00 0.00 ATOM 603 CA VAL A 80 51.423 -29.551 3.518 1.00 0.00 ATOM 604 CB VAL A 80 50.592 -30.301 4.648 1.00 0.00 ATOM 605 CG1 VAL A 80 51.322 -31.555 5.091 1.00 0.00 ATOM 606 CG2 VAL A 80 50.359 -29.397 5.842 1.00 0.00 ATOM 607 O VAL A 80 52.845 -31.027 2.279 1.00 0.00 ATOM 608 C VAL A 80 51.718 -30.554 2.401 1.00 0.00 ATOM 609 N THR A 81 50.722 -30.844 1.566 1.00 0.00 ATOM 610 CA THR A 81 50.904 -31.785 0.464 1.00 0.00 ATOM 611 CB THR A 81 50.399 -33.186 0.858 1.00 0.00 ATOM 612 CG2 THR A 81 51.081 -33.657 2.133 1.00 0.00 ATOM 613 OG1 THR A 81 48.984 -33.143 1.076 1.00 0.00 ATOM 614 O THR A 81 49.323 -30.424 -0.731 1.00 0.00 ATOM 615 C THR A 81 50.168 -31.320 -0.786 1.00 0.00 ATOM 616 N GLU A 82 50.464 -31.970 -1.908 1.00 0.00 ATOM 617 CA GLU A 82 49.723 -31.767 -3.141 1.00 0.00 ATOM 618 CB GLU A 82 50.218 -32.644 -4.258 1.00 0.00 ATOM 619 CG GLU A 82 49.386 -32.502 -5.506 1.00 0.00 ATOM 620 CD GLU A 82 49.671 -33.583 -6.517 1.00 0.00 ATOM 621 OE1 GLU A 82 50.269 -34.619 -6.128 1.00 0.00 ATOM 622 OE2 GLU A 82 49.282 -33.408 -7.695 1.00 0.00 ATOM 623 O GLU A 82 47.398 -31.154 -3.350 1.00 0.00 ATOM 624 C GLU A 82 48.224 -31.969 -2.925 1.00 0.00 ATOM 625 N GLN A 83 47.874 -33.055 -2.247 1.00 0.00 ATOM 626 CA GLN A 83 46.471 -33.339 -1.990 1.00 0.00 ATOM 627 CB GLN A 83 46.268 -34.647 -1.310 1.00 0.00 ATOM 628 CG GLN A 83 46.653 -35.819 -2.199 1.00 0.00 ATOM 629 CD GLN A 83 46.476 -37.160 -1.520 1.00 0.00 ATOM 630 OE1 GLN A 83 47.109 -37.443 -0.504 1.00 0.00 ATOM 631 NE2 GLN A 83 45.611 -37.996 -2.082 1.00 0.00 ATOM 632 O GLN A 83 44.723 -31.834 -1.360 1.00 0.00 ATOM 633 C GLN A 83 45.821 -32.312 -1.074 1.00 0.00 ATOM 634 N GLU A 84 46.492 -31.947 0.013 1.00 0.00 ATOM 635 CA GLU A 84 45.906 -30.981 0.936 1.00 0.00 ATOM 636 CB GLU A 84 46.814 -30.779 2.151 1.00 0.00 ATOM 637 CG GLU A 84 46.859 -31.969 3.096 1.00 0.00 ATOM 638 CD GLU A 84 45.491 -32.326 3.647 1.00 0.00 ATOM 639 OE1 GLU A 84 44.813 -31.424 4.182 1.00 0.00 ATOM 640 OE2 GLU A 84 45.099 -33.507 3.541 1.00 0.00 ATOM 641 O GLU A 84 44.656 -29.005 0.403 1.00 0.00 ATOM 642 C GLU A 84 45.701 -29.634 0.257 1.00 0.00 ATOM 643 N LEU A 85 46.709 -29.197 -0.504 1.00 0.00 ATOM 644 CA LEU A 85 46.631 -27.922 -1.208 1.00 0.00 ATOM 645 CB LEU A 85 47.973 -27.596 -1.867 1.00 0.00 ATOM 646 CG LEU A 85 48.059 -26.255 -2.600 1.00 0.00 ATOM 647 CD1 LEU A 85 47.808 -25.101 -1.641 1.00 0.00 ATOM 648 CD2 LEU A 85 49.438 -26.068 -3.216 1.00 0.00 ATOM 649 O LEU A 85 44.816 -26.927 -2.428 1.00 0.00 ATOM 650 C LEU A 85 45.565 -27.904 -2.295 1.00 0.00 ATOM 651 N THR A 86 45.529 -28.958 -3.105 1.00 0.00 ATOM 652 CA THR A 86 44.544 -29.057 -4.180 1.00 0.00 ATOM 653 CB THR A 86 44.709 -30.365 -4.977 1.00 0.00 ATOM 654 CG2 THR A 86 43.652 -30.461 -6.067 1.00 0.00 ATOM 655 OG1 THR A 86 46.006 -30.397 -5.585 1.00 0.00 ATOM 656 O THR A 86 42.238 -28.390 -4.161 1.00 0.00 ATOM 657 C THR A 86 43.135 -29.026 -3.607 1.00 0.00 ATOM 658 N SER A 87 42.940 -29.753 -2.456 1.00 0.00 ATOM 659 CA SER A 87 41.639 -29.732 -1.810 1.00 0.00 ATOM 660 CB SER A 87 41.611 -30.704 -0.629 1.00 0.00 ATOM 661 OG SER A 87 41.738 -32.044 -1.068 1.00 0.00 ATOM 662 O SER A 87 40.216 -27.855 -1.419 1.00 0.00 ATOM 663 C SER A 87 41.341 -28.330 -1.300 1.00 0.00 ATOM 664 N LEU A 88 42.339 -27.681 -0.724 1.00 0.00 ATOM 665 CA LEU A 88 42.149 -26.326 -0.218 1.00 0.00 ATOM 666 CB LEU A 88 43.452 -25.799 0.406 1.00 0.00 ATOM 667 CG LEU A 88 43.084 -24.330 0.680 1.00 0.00 ATOM 668 CD1 LEU A 88 42.704 -24.109 2.098 1.00 0.00 ATOM 669 CD2 LEU A 88 44.093 -23.402 0.090 1.00 0.00 ATOM 670 O LEU A 88 40.752 -24.646 -1.236 1.00 0.00 ATOM 671 C LEU A 88 41.707 -25.417 -1.367 1.00 0.00 ATOM 672 N LEU A 89 42.399 -25.522 -2.496 1.00 0.00 ATOM 673 CA LEU A 89 42.086 -24.696 -3.658 1.00 0.00 ATOM 674 CB LEU A 89 43.100 -24.940 -4.778 1.00 0.00 ATOM 675 CG LEU A 89 42.919 -24.111 -6.050 1.00 0.00 ATOM 676 CD1 LEU A 89 43.028 -22.625 -5.743 1.00 0.00 ATOM 677 CD2 LEU A 89 43.981 -24.464 -7.079 1.00 0.00 ATOM 678 O LEU A 89 39.966 -24.098 -4.600 1.00 0.00 ATOM 679 C LEU A 89 40.681 -25.003 -4.178 1.00 0.00 ATOM 680 N GLN A 90 40.336 -26.279 -4.237 1.00 0.00 ATOM 681 CA GLN A 90 39.001 -26.656 -4.691 1.00 0.00 ATOM 682 CB GLN A 90 38.843 -28.195 -4.676 1.00 0.00 ATOM 683 CG GLN A 90 39.336 -28.966 -5.834 1.00 0.00 ATOM 684 CD GLN A 90 38.994 -30.428 -5.652 1.00 0.00 ATOM 685 OE1 GLN A 90 39.513 -31.079 -4.755 1.00 0.00 ATOM 686 NE2 GLN A 90 38.065 -30.931 -6.452 1.00 0.00 ATOM 687 O GLN A 90 36.940 -25.466 -4.330 1.00 0.00 ATOM 688 C GLN A 90 37.942 -25.991 -3.816 1.00 0.00 ATOM 689 N SER A 91 38.183 -25.999 -2.510 1.00 0.00 ATOM 690 CA SER A 91 37.249 -25.393 -1.570 1.00 0.00 ATOM 691 CB SER A 91 37.713 -25.743 -0.129 1.00 0.00 ATOM 692 OG SER A 91 36.921 -25.091 0.836 1.00 0.00 ATOM 693 O SER A 91 36.035 -23.330 -1.740 1.00 0.00 ATOM 694 C SER A 91 37.134 -23.888 -1.792 1.00 0.00 ATOM 695 N LEU A 92 38.262 -23.241 -2.074 1.00 0.00 ATOM 696 CA LEU A 92 38.268 -21.801 -2.302 1.00 0.00 ATOM 697 CB LEU A 92 39.697 -21.298 -2.515 1.00 0.00 ATOM 698 CG LEU A 92 39.854 -19.801 -2.793 1.00 0.00 ATOM 699 CD1 LEU A 92 39.347 -18.981 -1.616 1.00 0.00 ATOM 700 CD2 LEU A 92 41.314 -19.449 -3.024 1.00 0.00 ATOM 701 O LEU A 92 36.641 -20.553 -3.566 1.00 0.00 ATOM 702 C LEU A 92 37.461 -21.474 -3.561 1.00 0.00 ATOM 703 N THR A 93 37.694 -22.221 -4.625 1.00 0.00 ATOM 704 CA THR A 93 36.973 -22.000 -5.875 1.00 0.00 ATOM 705 CB THR A 93 37.075 -23.397 -6.770 1.00 0.00 ATOM 706 CG2 THR A 93 36.950 -23.174 -8.303 1.00 0.00 ATOM 707 OG1 THR A 93 38.318 -24.093 -6.593 1.00 0.00 ATOM 708 O THR A 93 34.626 -21.520 -6.181 1.00 0.00 ATOM 709 C THR A 93 35.479 -22.231 -5.630 1.00 0.00 ATOM 710 N LEU A 94 35.160 -23.263 -4.844 1.00 0.00 ATOM 711 CA LEU A 94 33.765 -23.558 -4.537 1.00 0.00 ATOM 712 CB LEU A 94 33.650 -24.819 -3.679 1.00 0.00 ATOM 713 CG LEU A 94 34.037 -26.136 -4.356 1.00 0.00 ATOM 714 CD1 LEU A 94 34.036 -27.277 -3.351 1.00 0.00 ATOM 715 CD2 LEU A 94 33.054 -26.479 -5.466 1.00 0.00 ATOM 716 O LEU A 94 31.934 -22.085 -4.095 1.00 0.00 ATOM 717 C LEU A 94 33.095 -22.390 -3.822 1.00 0.00 ATOM 718 N ARG A 95 33.783 -21.661 -2.854 1.00 0.00 ATOM 719 CA ARG A 95 33.195 -20.518 -2.145 1.00 0.00 ATOM 720 CB ARG A 95 34.167 -19.929 -1.120 1.00 0.00 ATOM 721 CG ARG A 95 34.424 -20.828 0.078 1.00 0.00 ATOM 722 CD ARG A 95 35.454 -20.218 1.015 1.00 0.00 ATOM 723 NE ARG A 95 35.717 -21.073 2.171 1.00 0.00 ATOM 724 CZ ARG A 95 36.631 -20.812 3.099 1.00 0.00 ATOM 725 NH1 ARG A 95 36.800 -21.647 4.116 1.00 0.00 ATOM 726 NH2 ARG A 95 37.373 -19.716 3.011 1.00 0.00 ATOM 727 O ARG A 95 31.755 -18.835 -3.068 1.00 0.00 ATOM 728 C ARG A 95 32.816 -19.450 -3.163 1.00 0.00 ATOM 729 N VAL A 96 33.712 -19.227 -4.209 1.00 0.00 ATOM 730 CA VAL A 96 33.468 -18.241 -5.253 1.00 0.00 ATOM 731 CB VAL A 96 34.698 -18.066 -6.162 1.00 0.00 ATOM 732 CG1 VAL A 96 34.361 -17.179 -7.350 1.00 0.00 ATOM 733 CG2 VAL A 96 35.843 -17.422 -5.392 1.00 0.00 ATOM 734 O VAL A 96 31.466 -17.898 -6.525 1.00 0.00 ATOM 735 C VAL A 96 32.291 -18.709 -6.103 1.00 0.00 ATOM 736 N ASP A 97 32.238 -20.006 -6.401 1.00 0.00 ATOM 737 CA ASP A 97 31.128 -20.548 -7.180 1.00 0.00 ATOM 738 CB ASP A 97 31.269 -22.064 -7.329 1.00 0.00 ATOM 739 CG ASP A 97 32.382 -22.454 -8.282 1.00 0.00 ATOM 740 OD1 ASP A 97 32.883 -21.568 -9.005 1.00 0.00 ATOM 741 OD2 ASP A 97 32.752 -23.647 -8.307 1.00 0.00 ATOM 742 O ASP A 97 28.843 -19.791 -7.066 1.00 0.00 ATOM 743 C ASP A 97 29.803 -20.262 -6.459 1.00 0.00 ATOM 744 N VAL A 98 29.772 -20.535 -5.170 1.00 0.00 ATOM 745 CA VAL A 98 28.570 -20.291 -4.373 1.00 0.00 ATOM 746 CB VAL A 98 28.748 -20.779 -2.922 1.00 0.00 ATOM 747 CG1 VAL A 98 27.565 -20.350 -2.068 1.00 0.00 ATOM 748 CG2 VAL A 98 28.848 -22.296 -2.879 1.00 0.00 ATOM 749 O VAL A 98 27.064 -18.423 -4.442 1.00 0.00 ATOM 750 C VAL A 98 28.223 -18.807 -4.320 1.00 0.00 ATOM 751 N SER A 99 29.293 -17.922 -4.167 1.00 0.00 ATOM 752 CA SER A 99 29.119 -16.479 -4.137 1.00 0.00 ATOM 753 CB SER A 99 30.473 -15.794 -3.873 1.00 0.00 ATOM 754 OG SER A 99 30.978 -16.177 -2.600 1.00 0.00 ATOM 755 O SER A 99 27.671 -15.081 -5.453 1.00 0.00 ATOM 756 C SER A 99 28.541 -15.952 -5.451 1.00 0.00 ATOM 757 N MET A 100 29.010 -16.496 -6.561 1.00 0.00 ATOM 758 CA MET A 100 28.502 -16.054 -7.853 1.00 0.00 ATOM 759 CB MET A 100 29.309 -16.685 -8.997 1.00 0.00 ATOM 760 CG MET A 100 30.738 -16.167 -9.131 1.00 0.00 ATOM 761 SD MET A 100 30.851 -14.282 -9.473 1.00 0.00 ATOM 762 CE MET A 100 30.988 -13.661 -7.654 1.00 0.00 ATOM 763 O MET A 100 26.193 -15.664 -8.475 1.00 0.00 ATOM 764 C MET A 100 27.020 -16.452 -7.999 1.00 0.00 ATOM 765 N GLU A 101 26.708 -17.649 -7.576 1.00 0.00 ATOM 766 CA GLU A 101 25.329 -18.125 -7.631 1.00 0.00 ATOM 767 CB GLU A 101 25.250 -19.609 -7.262 1.00 0.00 ATOM 768 CG GLU A 101 25.690 -20.562 -8.397 1.00 0.00 ATOM 769 CD GLU A 101 24.921 -20.333 -9.702 1.00 0.00 ATOM 770 OE1 GLU A 101 23.677 -20.193 -9.657 1.00 0.00 ATOM 771 OE2 GLU A 101 25.551 -20.305 -10.786 1.00 0.00 ATOM 772 O GLU A 101 23.334 -16.891 -7.118 1.00 0.00 ATOM 773 C GLU A 101 24.439 -17.277 -6.729 1.00 0.00 ATOM 774 N GLU A 102 24.935 -16.911 -5.555 1.00 0.00 ATOM 775 CA GLU A 102 24.201 -16.095 -4.608 1.00 0.00 ATOM 776 CB GLU A 102 24.312 -16.724 -3.201 1.00 0.00 ATOM 777 CG GLU A 102 23.588 -18.053 -3.052 1.00 0.00 ATOM 778 CD GLU A 102 22.122 -17.962 -3.429 1.00 0.00 ATOM 779 OE1 GLU A 102 21.471 -16.964 -3.059 1.00 0.00 ATOM 780 OE2 GLU A 102 21.613 -18.897 -4.086 1.00 0.00 ATOM 781 O GLU A 102 25.957 -14.470 -4.878 1.00 0.00 ATOM 782 C GLU A 102 24.801 -14.702 -4.568 1.00 0.00 ENDMDL EXPDTA 2h3rA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h3rA ATOM 1 N ASP 7 35.692 2.031 -10.512 1.00 0.00 ATOM 2 CA ASP 7 35.341 1.251 -9.337 1.00 0.00 ATOM 3 CB ASP 7 35.229 -0.210 -9.680 1.00 0.00 ATOM 4 CG ASP 7 34.996 -0.439 -11.145 1.00 0.00 ATOM 5 OD1 ASP 7 34.596 0.525 -11.853 1.00 0.00 ATOM 6 OD2 ASP 7 35.175 -1.548 -11.663 1.00 0.00 ATOM 7 O ASP 7 37.217 2.234 -8.308 1.00 0.00 ATOM 8 C ASP 7 36.352 1.392 -8.249 1.00 0.00 ATOM 9 N LYS 8 36.215 0.610 -7.186 1.00 0.00 ATOM 10 CA LYS 8 37.124 0.788 -6.058 1.00 0.00 ATOM 11 CB LYS 8 36.474 1.766 -5.083 1.00 0.00 ATOM 12 CG LYS 8 35.227 2.447 -5.678 1.00 0.00 ATOM 13 CD LYS 8 34.264 2.931 -4.592 1.00 0.00 ATOM 14 CE LYS 8 32.956 3.436 -5.177 1.00 0.00 ATOM 15 NZ LYS 8 31.901 3.516 -4.129 1.00 0.00 ATOM 16 O LYS 8 38.604 -0.967 -5.351 1.00 0.00 ATOM 17 C LYS 8 37.457 -0.496 -5.329 1.00 0.00 ATOM 18 N THR 9 36.447 -1.038 -4.655 1.00 0.00 ATOM 19 CA THR 9 36.597 -2.278 -3.905 1.00 0.00 ATOM 20 CB THR 9 35.225 -2.893 -3.573 1.00 0.00 ATOM 21 CG2 THR 9 34.859 -3.944 -4.619 1.00 0.00 ATOM 22 OG1 THR 9 35.264 -3.499 -2.273 1.00 0.00 ATOM 23 O THR 9 37.240 -3.194 -6.030 1.00 0.00 ATOM 24 C THR 9 37.363 -3.250 -4.797 1.00 0.00 ATOM 25 N TYR 10 38.156 -4.123 -4.179 1.00 0.00 ATOM 26 CA TYR 10 38.924 -5.108 -4.930 1.00 0.00 ATOM 27 CB TYR 10 39.757 -5.984 -3.998 1.00 0.00 ATOM 28 CG TYR 10 41.233 -5.794 -4.184 1.00 0.00 ATOM 29 CD1 TYR 10 41.897 -4.758 -3.551 1.00 0.00 ATOM 30 CD2 TYR 10 41.956 -6.628 -5.005 1.00 0.00 ATOM 31 CE1 TYR 10 43.239 -4.562 -3.728 1.00 0.00 ATOM 32 CE2 TYR 10 43.296 -6.440 -5.188 1.00 0.00 ATOM 33 CZ TYR 10 43.936 -5.405 -4.547 1.00 0.00 ATOM 34 OH TYR 10 45.287 -5.214 -4.710 1.00 0.00 ATOM 35 O TYR 10 38.270 -6.396 -6.827 1.00 0.00 ATOM 36 C TYR 10 37.985 -6.002 -5.704 1.00 0.00 ATOM 37 N GLU 11 36.860 -6.321 -5.083 1.00 0.00 ATOM 38 CA GLU 11 35.855 -7.175 -5.714 1.00 0.00 ATOM 39 CB GLU 11 34.598 -7.272 -4.848 1.00 0.00 ATOM 40 CG GLU 11 34.679 -8.263 -3.698 1.00 0.00 ATOM 41 CD GLU 11 33.306 -8.593 -3.150 1.00 0.00 ATOM 42 OE1 GLU 11 32.490 -9.127 -3.922 1.00 0.00 ATOM 43 OE2 GLU 11 33.032 -8.322 -1.964 1.00 0.00 ATOM 44 O GLU 11 35.723 -7.318 -8.089 1.00 0.00 ATOM 45 C GLU 11 35.470 -6.658 -7.084 1.00 0.00 ATOM 46 N GLU 12 34.857 -5.474 -7.106 1.00 0.00 ATOM 47 CA GLU 12 34.407 -4.810 -8.335 1.00 0.00 ATOM 48 CB GLU 12 34.039 -3.363 -8.044 1.00 0.00 ATOM 49 CG GLU 12 32.850 -3.184 -7.100 1.00 0.00 ATOM 50 CD GLU 12 32.697 -1.746 -6.646 1.00 0.00 ATOM 51 OE1 GLU 12 31.760 -1.433 -5.892 1.00 0.00 ATOM 52 OE2 GLU 12 33.534 -0.919 -7.054 1.00 0.00 ATOM 53 O GLU 12 35.132 -5.170 -10.587 1.00 0.00 ATOM 54 C GLU 12 35.443 -4.831 -9.448 1.00 0.00 ATOM 55 N MET 13 36.667 -4.451 -9.116 1.00 0.00 ATOM 56 CA MET 13 37.750 -4.433 -10.084 1.00 0.00 ATOM 57 CB MET 13 39.015 -3.856 -9.441 1.00 0.00 ATOM 58 CG MET 13 39.027 -2.343 -9.356 1.00 0.00 ATOM 59 SD MET 13 39.094 -1.512 -11.122 1.00 0.00 ATOM 60 CE MET 13 41.002 -1.577 -11.420 1.00 0.00 ATOM 61 O MET 13 38.167 -5.968 -11.890 1.00 0.00 ATOM 62 C MET 13 38.044 -5.820 -10.671 1.00 0.00 ATOM 63 N VAL 14 38.167 -6.830 -9.813 1.00 0.00 ATOM 64 CA VAL 14 38.447 -8.173 -10.298 1.00 0.00 ATOM 65 CB VAL 14 38.750 -9.155 -9.130 1.00 0.00 ATOM 66 CG1 VAL 14 38.982 -10.565 -9.663 1.00 0.00 ATOM 67 CG2 VAL 14 39.982 -8.699 -8.389 1.00 0.00 ATOM 68 O VAL 14 37.416 -9.267 -12.178 1.00 0.00 ATOM 69 C VAL 14 37.251 -8.660 -11.115 1.00 0.00 ATOM 70 N LYS 15 36.044 -8.390 -10.632 1.00 0.00 ATOM 71 CA LYS 15 34.858 -8.792 -11.376 1.00 0.00 ATOM 72 CB LYS 15 33.585 -8.344 -10.657 1.00 0.00 ATOM 73 CG LYS 15 32.315 -8.789 -11.340 1.00 0.00 ATOM 74 CD LYS 15 31.115 -8.533 -10.452 1.00 0.00 ATOM 75 CE LYS 15 29.944 -9.430 -10.851 1.00 0.00 ATOM 76 NZ LYS 15 30.255 -10.877 -10.746 1.00 0.00 ATOM 77 O LYS 15 34.662 -8.791 -13.766 1.00 0.00 ATOM 78 C LYS 15 34.908 -8.140 -12.756 1.00 0.00 ATOM 79 N GLU 16 35.229 -6.847 -12.784 1.00 0.00 ATOM 80 CA GLU 16 35.327 -6.088 -14.022 1.00 0.00 ATOM 81 CB GLU 16 35.654 -4.633 -13.725 1.00 0.00 ATOM 82 CG GLU 16 35.623 -3.711 -14.941 1.00 0.00 ATOM 83 CD GLU 16 34.207 -3.457 -15.429 1.00 0.00 ATOM 84 OE1 GLU 16 33.773 -4.131 -16.387 1.00 0.00 ATOM 85 OE2 GLU 16 33.515 -2.591 -14.838 1.00 0.00 ATOM 86 O GLU 16 36.146 -6.882 -16.122 1.00 0.00 ATOM 87 C GLU 16 36.404 -6.628 -14.946 1.00 0.00 ATOM 88 N VAL 17 37.617 -6.775 -14.421 1.00 0.00 ATOM 89 CA VAL 17 38.750 -7.277 -15.199 1.00 0.00 ATOM 90 CB VAL 17 40.036 -7.378 -14.339 1.00 0.00 ATOM 91 CG1 VAL 17 41.144 -8.027 -15.145 1.00 0.00 ATOM 92 CG2 VAL 17 40.473 -5.988 -13.885 1.00 0.00 ATOM 93 O VAL 17 38.790 -8.873 -16.992 1.00 0.00 ATOM 94 C VAL 17 38.487 -8.646 -15.820 1.00 0.00 ATOM 95 N GLU 18 37.941 -9.560 -15.026 1.00 0.00 ATOM 96 CA GLU 18 37.644 -10.907 -15.500 1.00 0.00 ATOM 97 CB GLU 18 37.207 -11.770 -14.314 1.00 0.00 ATOM 98 CG GLU 18 36.579 -13.108 -14.663 1.00 0.00 ATOM 99 CD GLU 18 37.560 -14.086 -15.275 1.00 0.00 ATOM 100 OE1 GLU 18 38.703 -14.171 -14.788 1.00 0.00 ATOM 101 OE2 GLU 18 37.176 -14.784 -16.237 1.00 0.00 ATOM 102 O GLU 18 36.659 -11.497 -17.615 1.00 0.00 ATOM 103 C GLU 18 36.561 -10.834 -16.579 1.00 0.00 ATOM 104 N ARG 19 35.545 -10.008 -16.341 1.00 0.00 ATOM 105 CA ARG 19 34.459 -9.802 -17.293 1.00 0.00 ATOM 106 CB ARG 19 33.504 -8.716 -16.800 1.00 0.00 ATOM 107 CG ARG 19 32.355 -8.441 -17.748 1.00 0.00 ATOM 108 CD ARG 19 31.501 -7.276 -17.272 1.00 0.00 ATOM 109 NE ARG 19 32.179 -5.998 -17.447 1.00 0.00 ATOM 110 CZ ARG 19 32.389 -5.417 -18.628 1.00 0.00 ATOM 111 NH1 ARG 19 31.972 -6.002 -19.750 1.00 0.00 ATOM 112 NH2 ARG 19 33.018 -4.249 -18.691 1.00 0.00 ATOM 113 O ARG 19 34.460 -9.780 -19.681 1.00 0.00 ATOM 114 C ARG 19 34.991 -9.375 -18.653 1.00 0.00 ATOM 115 N LEU 20 36.023 -8.537 -18.658 1.00 0.00 ATOM 116 CA LEU 20 36.613 -8.070 -19.908 1.00 0.00 ATOM 117 CB LEU 20 37.405 -6.772 -19.696 1.00 0.00 ATOM 118 CG LEU 20 36.656 -5.452 -19.478 1.00 0.00 ATOM 119 CD1 LEU 20 37.647 -4.352 -19.069 1.00 0.00 ATOM 120 CD2 LEU 20 35.922 -5.070 -20.748 1.00 0.00 ATOM 121 O LEU 20 37.728 -9.099 -21.740 1.00 0.00 ATOM 122 C LEU 20 37.532 -9.110 -20.531 1.00 0.00 ATOM 123 N LYS 21 38.102 -9.999 -19.719 1.00 0.00 ATOM 124 CA LYS 21 38.999 -11.027 -20.250 1.00 0.00 ATOM 125 CB LYS 21 39.896 -11.604 -19.137 1.00 0.00 ATOM 126 CG LYS 21 40.889 -10.585 -18.547 1.00 0.00 ATOM 127 CD LYS 21 41.868 -11.209 -17.545 1.00 0.00 ATOM 128 CE LYS 21 42.948 -10.206 -17.095 1.00 0.00 ATOM 129 NZ LYS 21 43.928 -10.768 -16.109 1.00 0.00 ATOM 130 O LYS 21 38.612 -12.793 -21.862 1.00 0.00 ATOM 131 C LYS 21 38.172 -12.132 -20.910 1.00 0.00 ATOM 132 N LEU 22 36.963 -12.326 -20.394 1.00 0.00 ATOM 133 CA LEU 22 36.051 -13.315 -20.941 1.00 0.00 ATOM 134 CB LEU 22 34.944 -13.591 -19.934 1.00 0.00 ATOM 135 CG LEU 22 35.234 -14.758 -18.999 1.00 0.00 ATOM 136 CD1 LEU 22 34.370 -14.687 -17.754 1.00 0.00 ATOM 137 CD2 LEU 22 34.992 -16.035 -19.778 1.00 0.00 ATOM 138 O LEU 22 35.450 -13.461 -23.272 1.00 0.00 ATOM 139 C LEU 22 35.464 -12.773 -22.249 1.00 0.00 ATOM 140 N GLU 23 34.984 -11.535 -22.217 1.00 0.00 ATOM 141 CA GLU 23 34.437 -10.934 -23.416 1.00 0.00 ATOM 142 CB GLU 23 33.823 -9.570 -23.101 1.00 0.00 ATOM 143 CG GLU 23 33.276 -8.822 -24.308 1.00 0.00 ATOM 144 CD GLU 23 32.425 -7.622 -23.919 1.00 0.00 ATOM 145 OE1 GLU 23 31.294 -7.829 -23.420 1.00 0.00 ATOM 146 OE2 GLU 23 32.889 -6.473 -24.099 1.00 0.00 ATOM 147 O GLU 23 35.368 -10.850 -25.629 1.00 0.00 ATOM 148 C GLU 23 35.581 -10.797 -24.417 1.00 0.00 ATOM 149 N ASN 24 36.801 -10.636 -23.914 1.00 0.00 ATOM 150 CA ASN 24 37.953 -10.511 -24.803 1.00 0.00 ATOM 151 CB ASN 24 39.196 -10.049 -24.037 1.00 0.00 ATOM 152 CG ASN 24 40.460 -10.101 -24.888 1.00 0.00 ATOM 153 ND2 ASN 24 40.865 -8.949 -25.411 1.00 0.00 ATOM 154 OD1 ASN 24 41.054 -11.163 -25.082 1.00 0.00 ATOM 155 O ASN 24 38.718 -11.863 -26.617 1.00 0.00 ATOM 156 C ASN 24 38.244 -11.837 -25.488 1.00 0.00 ATOM 157 N LYS 25 37.970 -12.941 -24.806 1.00 0.00 ATOM 158 CA LYS 25 38.208 -14.243 -25.405 1.00 0.00 ATOM 159 CB LYS 25 38.139 -15.358 -24.353 1.00 0.00 ATOM 160 CG LYS 25 38.603 -16.708 -24.901 1.00 0.00 ATOM 161 CD LYS 25 38.779 -17.772 -23.821 1.00 0.00 ATOM 162 CE LYS 25 37.449 -18.272 -23.282 1.00 0.00 ATOM 163 NZ LYS 25 37.644 -19.429 -22.368 1.00 0.00 ATOM 164 O LYS 25 37.483 -14.642 -27.648 1.00 0.00 ATOM 165 C LYS 25 37.151 -14.456 -26.481 1.00 0.00 ATOM 166 N THR 26 35.878 -14.419 -26.091 1.00 0.00 ATOM 167 CA THR 26 34.795 -14.589 -27.051 1.00 0.00 ATOM 168 CB THR 26 33.491 -13.980 -26.548 1.00 0.00 ATOM 169 CG2 THR 26 32.491 -13.848 -27.686 1.00 0.00 ATOM 170 OG1 THR 26 32.943 -14.815 -25.527 1.00 0.00 ATOM 171 O THR 26 35.077 -14.461 -29.421 1.00 0.00 ATOM 172 C THR 26 35.149 -13.877 -28.340 1.00 0.00 ATOM 173 N LEU 27 35.533 -12.609 -28.224 1.00 0.00 ATOM 174 CA LEU 27 35.886 -11.830 -29.404 1.00 0.00 ATOM 175 CB LEU 27 36.191 -10.384 -29.003 1.00 0.00 ATOM 176 CG LEU 27 34.915 -9.611 -28.633 1.00 0.00 ATOM 177 CD1 LEU 27 35.232 -8.451 -27.691 1.00 0.00 ATOM 178 CD2 LEU 27 34.239 -9.129 -29.900 1.00 0.00 ATOM 179 O LEU 27 37.017 -12.418 -31.428 1.00 0.00 ATOM 180 C LEU 27 37.042 -12.444 -30.202 1.00 0.00 ATOM 181 N LYS 28 38.036 -13.002 -29.518 1.00 0.00 ATOM 182 CA LYS 28 39.162 -13.633 -30.214 1.00 0.00 ATOM 183 CB LYS 28 40.332 -13.895 -29.256 1.00 0.00 ATOM 184 CG LYS 28 41.099 -12.659 -28.782 1.00 0.00 ATOM 185 CD LYS 28 42.270 -13.072 -27.880 1.00 0.00 ATOM 186 CE LYS 28 43.294 -11.953 -27.673 1.00 0.00 ATOM 187 NZ LYS 28 42.757 -10.785 -26.900 1.00 0.00 ATOM 188 O LYS 28 39.186 -15.469 -31.785 1.00 0.00 ATOM 189 C LYS 28 38.669 -14.964 -30.790 1.00 0.00 ATOM 190 N GLN 29 37.656 -15.536 -30.150 1.00 0.00 ATOM 191 CA GLN 29 37.098 -16.791 -30.611 1.00 0.00 ATOM 192 CB GLN 29 36.196 -17.397 -29.534 1.00 0.00 ATOM 193 CG GLN 29 36.520 -18.851 -29.206 1.00 0.00 ATOM 194 CD GLN 29 36.320 -19.182 -27.734 1.00 0.00 ATOM 195 OE1 GLN 29 35.229 -19.004 -27.184 1.00 0.00 ATOM 196 NE2 GLN 29 37.380 -19.662 -27.089 1.00 0.00 ATOM 197 O GLN 29 36.324 -17.270 -32.820 1.00 0.00 ATOM 198 C GLN 29 36.309 -16.492 -31.875 1.00 0.00 ATOM 199 N LYS 30 35.635 -15.346 -31.897 1.00 0.00 ATOM 200 CA LYS 30 34.858 -14.970 -33.066 1.00 0.00 ATOM 201 CB LYS 30 34.156 -13.624 -32.863 1.00 0.00 ATOM 202 CG LYS 30 32.907 -13.712 -32.014 1.00 0.00 ATOM 203 CD LYS 30 32.166 -12.396 -31.975 1.00 0.00 ATOM 204 CE LYS 30 30.862 -12.538 -31.205 1.00 0.00 ATOM 205 NZ LYS 30 30.013 -13.625 -31.769 1.00 0.00 ATOM 206 O LYS 30 35.331 -15.424 -35.339 1.00 0.00 ATOM 207 C LYS 30 35.727 -14.904 -34.303 1.00 0.00 ATOM 208 N VAL 31 36.900 -14.272 -34.216 1.00 0.00 ATOM 209 CA VAL 31 37.777 -14.191 -35.389 1.00 0.00 ATOM 210 CB VAL 31 39.045 -13.312 -35.136 1.00 0.00 ATOM 211 CG1 VAL 31 38.636 -11.895 -34.751 1.00 0.00 ATOM 212 CG2 VAL 31 39.910 -13.931 -34.052 1.00 0.00 ATOM 213 O VAL 31 39.384 -15.966 -35.823 1.00 0.00 ATOM 214 C VAL 31 38.201 -15.604 -35.825 1.00 0.00 ATOM 215 N SER 39 42.619 -17.582 -32.471 1.00 0.00 ATOM 216 CA SER 39 43.986 -17.958 -32.132 1.00 0.00 ATOM 217 CB SER 39 44.676 -18.610 -33.330 1.00 0.00 ATOM 218 OG SER 39 46.060 -18.783 -33.076 1.00 0.00 ATOM 219 O SER 39 45.650 -16.261 -32.420 1.00 0.00 ATOM 220 C SER 39 44.816 -16.771 -31.671 1.00 0.00 ATOM 221 N ASP 40 44.581 -16.329 -30.442 1.00 0.00 ATOM 222 CA ASP 40 45.327 -15.207 -29.886 1.00 0.00 ATOM 223 CB ASP 40 44.634 -13.881 -30.224 1.00 0.00 ATOM 224 CG ASP 40 45.560 -12.678 -30.081 1.00 0.00 ATOM 225 OD1 ASP 40 46.157 -12.507 -28.997 1.00 0.00 ATOM 226 OD2 ASP 40 45.686 -11.901 -31.057 1.00 0.00 ATOM 227 O ASP 40 44.930 -14.567 -27.603 1.00 0.00 ATOM 228 C ASP 40 45.394 -15.403 -28.379 1.00 0.00 ATOM 229 N ASP 41 45.970 -16.531 -27.977 1.00 0.00 ATOM 230 CA ASP 41 46.113 -16.874 -26.573 1.00 0.00 ATOM 231 CB ASP 41 45.384 -18.185 -26.287 1.00 0.00 ATOM 232 CG ASP 41 45.568 -18.651 -24.864 1.00 0.00 ATOM 233 OD1 ASP 41 45.529 -17.796 -23.958 1.00 0.00 ATOM 234 OD2 ASP 41 45.738 -19.872 -24.654 1.00 0.00 ATOM 235 O ASP 41 48.217 -18.033 -26.399 1.00 0.00 ATOM 236 C ASP 41 47.583 -16.997 -26.195 1.00 0.00 ATOM 237 N SER 42 48.112 -15.921 -25.633 1.00 0.00 ATOM 238 CA SER 42 49.504 -15.863 -25.215 1.00 0.00 ATOM 239 CB SER 42 49.886 -14.410 -24.958 1.00 0.00 ATOM 240 OG SER 42 49.412 -13.581 -26.002 1.00 0.00 ATOM 241 O SER 42 48.897 -17.001 -23.183 1.00 0.00 ATOM 242 C SER 42 49.793 -16.672 -23.960 1.00 0.00 ATOM 243 N ILE 43 51.065 -16.984 -23.772 1.00 0.00 ATOM 244 CA ILE 43 51.517 -17.716 -22.606 1.00 0.00 ATOM 245 CB ILE 43 52.875 -18.379 -22.906 1.00 0.00 ATOM 246 CG1 ILE 43 52.644 -19.668 -23.694 1.00 0.00 ATOM 247 CG2 ILE 43 53.647 -18.611 -21.630 1.00 0.00 ATOM 248 CD1 ILE 43 52.273 -19.466 -25.162 1.00 0.00 ATOM 249 O ILE 43 52.102 -15.581 -21.685 1.00 0.00 ATOM 250 C ILE 43 51.666 -16.707 -21.467 1.00 0.00 ATOM 251 N LEU 44 51.302 -17.115 -20.258 1.00 0.00 ATOM 252 CA LEU 44 51.387 -16.252 -19.087 1.00 0.00 ATOM 253 CB LEU 44 50.713 -16.964 -17.920 1.00 0.00 ATOM 254 CG LEU 44 49.967 -16.138 -16.882 1.00 0.00 ATOM 255 CD1 LEU 44 49.017 -15.164 -17.565 1.00 0.00 ATOM 256 CD2 LEU 44 49.215 -17.093 -15.958 1.00 0.00 ATOM 257 O LEU 44 53.734 -16.738 -18.954 1.00 0.00 ATOM 258 C LEU 44 52.844 -15.925 -18.738 1.00 0.00 ATOM 259 N THR 45 53.080 -14.726 -18.216 1.00 0.00 ATOM 260 CA THR 45 54.424 -14.308 -17.816 1.00 0.00 ATOM 261 CB THR 45 54.696 -12.832 -18.182 1.00 0.00 ATOM 262 CG2 THR 45 56.042 -12.387 -17.630 1.00 0.00 ATOM 263 OG1 THR 45 54.689 -12.679 -19.606 1.00 0.00 ATOM 264 O THR 45 53.485 -14.290 -15.615 1.00 0.00 ATOM 265 C THR 45 54.499 -14.446 -16.300 1.00 0.00 ATOM 266 N ALA 46 55.687 -14.733 -15.774 1.00 0.00 ATOM 267 CA ALA 46 55.851 -14.901 -14.331 1.00 0.00 ATOM 268 CB ALA 46 57.314 -14.951 -13.967 1.00 0.00 ATOM 269 O ALA 46 54.482 -14.068 -12.563 1.00 0.00 ATOM 270 C ALA 46 55.164 -13.796 -13.545 1.00 0.00 ATOM 271 N ALA 47 55.337 -12.555 -13.986 1.00 0.00 ATOM 272 CA ALA 47 54.733 -11.414 -13.316 1.00 0.00 ATOM 273 CB ALA 47 55.350 -10.129 -13.832 1.00 0.00 ATOM 274 O ALA 47 52.464 -11.205 -12.556 1.00 0.00 ATOM 275 C ALA 47 53.222 -11.387 -13.512 1.00 0.00 ATOM 276 N LYS 48 52.796 -11.562 -14.759 1.00 0.00 ATOM 277 CA LYS 48 51.385 -11.563 -15.119 1.00 0.00 ATOM 278 CB LYS 48 51.230 -11.951 -16.590 1.00 0.00 ATOM 279 CG LYS 48 49.894 -11.582 -17.209 1.00 0.00 ATOM 280 CD LYS 48 49.887 -10.124 -17.632 1.00 0.00 ATOM 281 CE LYS 48 48.673 -9.790 -18.488 1.00 0.00 ATOM 282 NZ LYS 48 48.799 -8.452 -19.143 1.00 0.00 ATOM 283 O LYS 48 49.619 -12.224 -13.633 1.00 0.00 ATOM 284 C LYS 48 50.628 -12.561 -14.256 1.00 0.00 ATOM 285 N ARG 49 51.117 -13.797 -14.223 1.00 0.00 ATOM 286 CA ARG 49 50.458 -14.831 -13.424 1.00 0.00 ATOM 287 CB ARG 49 51.202 -16.175 -13.483 1.00 0.00 ATOM 288 CG ARG 49 50.533 -17.243 -12.616 1.00 0.00 ATOM 289 CD ARG 49 51.373 -18.503 -12.423 1.00 0.00 ATOM 290 NE ARG 49 51.651 -19.190 -13.676 1.00 0.00 ATOM 291 CZ ARG 49 52.762 -19.034 -14.385 1.00 0.00 ATOM 292 NH1 ARG 49 53.714 -18.215 -13.957 1.00 0.00 ATOM 293 NH2 ARG 49 52.918 -19.682 -15.530 1.00 0.00 ATOM 294 O ARG 49 49.282 -14.457 -11.367 1.00 0.00 ATOM 295 C ARG 49 50.352 -14.412 -11.965 1.00 0.00 ATOM 296 N GLU 50 51.485 -14.011 -11.404 1.00 0.00 ATOM 297 CA GLU 50 51.555 -13.588 -10.015 1.00 0.00 ATOM 298 CB GLU 50 52.995 -13.194 -9.662 1.00 0.00 ATOM 299 CG GLU 50 53.303 -13.349 -8.194 1.00 0.00 ATOM 300 CD GLU 50 53.105 -14.775 -7.723 1.00 0.00 ATOM 301 OE1 GLU 50 53.076 -15.004 -6.499 1.00 0.00 ATOM 302 OE2 GLU 50 52.982 -15.678 -8.581 1.00 0.00 ATOM 303 O GLU 50 49.944 -12.362 -8.704 1.00 0.00 ATOM 304 C GLU 50 50.603 -12.424 -9.748 1.00 0.00 ATOM 305 N SER 51 50.541 -11.500 -10.703 1.00 0.00 ATOM 306 CA SER 51 49.660 -10.349 -10.576 1.00 0.00 ATOM 307 CB SER 51 49.877 -9.414 -11.763 1.00 0.00 ATOM 308 OG SER 51 49.407 -8.118 -11.462 1.00 0.00 ATOM 309 O SER 51 47.421 -10.391 -9.688 1.00 0.00 ATOM 310 C SER 51 48.205 -10.841 -10.512 1.00 0.00 ATOM 311 N ILE 52 47.863 -11.790 -11.372 1.00 0.00 ATOM 312 CA ILE 52 46.515 -12.341 -11.396 1.00 0.00 ATOM 313 CB ILE 52 46.318 -13.286 -12.613 1.00 0.00 ATOM 314 CG1 ILE 52 46.467 -12.482 -13.913 1.00 0.00 ATOM 315 CG2 ILE 52 44.948 -13.951 -12.550 1.00 0.00 ATOM 316 CD1 ILE 52 45.688 -11.160 -14.002 1.00 0.00 ATOM 317 O ILE 52 45.073 -13.061 -9.613 1.00 0.00 ATOM 318 C ILE 52 46.204 -13.093 -10.102 1.00 0.00 ATOM 319 N ILE 53 47.202 -13.764 -9.543 1.00 0.00 ATOM 320 CA ILE 53 46.995 -14.500 -8.308 1.00 0.00 ATOM 321 CB ILE 53 48.165 -15.471 -8.051 1.00 0.00 ATOM 322 CG1 ILE 53 48.247 -16.467 -9.208 1.00 0.00 ATOM 323 CG2 ILE 53 47.976 -16.192 -6.726 1.00 0.00 ATOM 324 CD1 ILE 53 47.025 -17.400 -9.446 1.00 0.00 ATOM 325 O ILE 53 45.918 -13.771 -6.283 1.00 0.00 ATOM 326 C ILE 53 46.808 -13.561 -7.110 1.00 0.00 ATOM 327 N VAL 54 47.622 -12.516 -7.014 1.00 0.00 ATOM 328 CA VAL 54 47.484 -11.581 -5.894 1.00 0.00 ATOM 329 CB VAL 54 48.598 -10.500 -5.902 1.00 0.00 ATOM 330 CG1 VAL 54 48.473 -9.618 -4.682 1.00 0.00 ATOM 331 CG2 VAL 54 49.951 -11.154 -5.925 1.00 0.00 ATOM 332 O VAL 54 45.532 -10.624 -4.854 1.00 0.00 ATOM 333 C VAL 54 46.116 -10.873 -5.916 1.00 0.00 ATOM 334 N SER 55 45.616 -10.550 -7.114 1.00 0.00 ATOM 335 CA SER 55 44.326 -9.877 -7.264 1.00 0.00 ATOM 336 CB SER 55 44.089 -9.459 -8.720 1.00 0.00 ATOM 337 OG SER 55 45.121 -8.644 -9.225 1.00 0.00 ATOM 338 O SER 55 42.367 -10.461 -5.991 1.00 0.00 ATOM 339 C SER 55 43.169 -10.785 -6.871 1.00 0.00 ATOM 340 N SER 56 43.076 -11.916 -7.560 1.00 0.00 ATOM 341 CA SER 56 42.014 -12.882 -7.306 1.00 0.00 ATOM 342 CB SER 56 42.265 -14.156 -8.120 1.00 0.00 ATOM 343 OG SER 56 42.412 -13.854 -9.488 1.00 0.00 ATOM 344 O SER 56 40.846 -13.280 -5.243 1.00 0.00 ATOM 345 C SER 56 41.932 -13.222 -5.820 1.00 0.00 ATOM 346 N SER 57 43.091 -13.452 -5.209 1.00 0.00 ATOM 347 CA SER 57 43.140 -13.790 -3.799 1.00 0.00 ATOM 348 CB SER 57 44.585 -13.971 -3.347 1.00 0.00 ATOM 349 OG SER 57 45.206 -15.009 -4.071 1.00 0.00 ATOM 350 O SER 57 41.624 -12.912 -2.175 1.00 0.00 ATOM 351 C SER 57 42.501 -12.672 -3.003 1.00 0.00 ATOM 352 N ARG 58 42.937 -11.447 -3.262 1.00 0.00 ATOM 353 CA ARG 58 42.399 -10.307 -2.541 1.00 0.00 ATOM 354 CB ARG 58 43.146 -9.033 -2.926 1.00 0.00 ATOM 355 CG ARG 58 44.569 -8.993 -2.377 1.00 0.00 ATOM 356 CD ARG 58 45.264 -7.662 -2.654 1.00 0.00 ATOM 357 NE ARG 58 46.579 -7.603 -2.021 1.00 0.00 ATOM 358 CZ ARG 58 47.599 -6.884 -2.473 1.00 0.00 ATOM 359 NH1 ARG 58 47.469 -6.153 -3.569 1.00 0.00 ATOM 360 NH2 ARG 58 48.755 -6.898 -1.837 1.00 0.00 ATOM 361 O ARG 58 40.171 -9.874 -1.772 1.00 0.00 ATOM 362 C ARG 58 40.897 -10.143 -2.733 1.00 0.00 ATOM 363 N ALA 59 40.422 -10.314 -3.964 1.00 0.00 ATOM 364 CA ALA 59 38.992 -10.208 -4.226 1.00 0.00 ATOM 365 CB ALA 59 38.705 -10.406 -5.690 1.00 0.00 ATOM 366 O ALA 59 37.342 -10.967 -2.662 1.00 0.00 ATOM 367 C ALA 59 38.271 -11.272 -3.408 1.00 0.00 ATOM 368 N LEU 60 38.695 -12.523 -3.551 1.00 0.00 ATOM 369 CA LEU 60 38.078 -13.609 -2.788 1.00 0.00 ATOM 370 CB LEU 60 38.656 -14.959 -3.229 1.00 0.00 ATOM 371 CG LEU 60 38.135 -15.355 -4.619 1.00 0.00 ATOM 372 CD1 LEU 60 38.850 -16.580 -5.185 1.00 0.00 ATOM 373 CD2 LEU 60 36.648 -15.615 -4.496 1.00 0.00 ATOM 374 O LEU 60 37.466 -13.821 -0.463 1.00 0.00 ATOM 375 C LEU 60 38.269 -13.377 -1.282 1.00 0.00 ATOM 376 N GLY 61 39.327 -12.653 -0.927 1.00 0.00 ATOM 377 CA GLY 61 39.576 -12.354 0.469 1.00 0.00 ATOM 378 O GLY 61 38.037 -11.597 2.124 1.00 0.00 ATOM 379 C GLY 61 38.495 -11.439 1.001 1.00 0.00 ATOM 380 N ALA 62 38.100 -10.467 0.185 1.00 0.00 ATOM 381 CA ALA 62 37.057 -9.504 0.545 1.00 0.00 ATOM 382 CB ALA 62 36.874 -8.485 -0.587 1.00 0.00 ATOM 383 O ALA 62 35.044 -9.946 1.771 1.00 0.00 ATOM 384 C ALA 62 35.747 -10.233 0.800 1.00 0.00 ATOM 385 N VAL 63 35.410 -11.165 -0.089 1.00 0.00 ATOM 386 CA VAL 63 34.186 -11.939 0.063 1.00 0.00 ATOM 387 CB VAL 63 33.992 -12.942 -1.103 1.00 0.00 ATOM 388 CG1 VAL 63 32.707 -13.725 -0.907 1.00 0.00 ATOM 389 CG2 VAL 63 33.932 -12.199 -2.445 1.00 0.00 ATOM 390 O VAL 63 33.361 -12.725 2.172 1.00 0.00 ATOM 391 C VAL 63 34.299 -12.698 1.374 1.00 0.00 ATOM 392 N ALA 64 35.462 -13.294 1.615 1.00 0.00 ATOM 393 CA ALA 64 35.681 -14.023 2.854 1.00 0.00 ATOM 394 CB ALA 64 37.057 -14.654 2.851 1.00 0.00 ATOM 395 O ALA 64 34.867 -13.434 5.047 1.00 0.00 ATOM 396 C ALA 64 35.519 -13.085 4.052 1.00 0.00 ATOM 397 N MET 65 36.088 -11.886 3.954 1.00 0.00 ATOM 398 CA MET 65 35.975 -10.924 5.037 1.00 0.00 ATOM 399 CB MET 65 36.639 -9.602 4.660 1.00 0.00 ATOM 400 CG MET 65 37.796 -9.192 5.567 1.00 0.00 ATOM 401 SD MET 65 37.442 -9.341 7.472 1.00 0.00 ATOM 402 CE MET 65 35.886 -8.209 7.628 1.00 0.00 ATOM 403 O MET 65 34.109 -10.972 6.540 1.00 0.00 ATOM 404 C MET 65 34.516 -10.667 5.413 1.00 0.00 ATOM 405 N ARG 66 33.729 -10.124 4.481 1.00 0.00 ATOM 406 CA ARG 66 32.333 -9.817 4.792 1.00 0.00 ATOM 407 CB ARG 66 31.648 -9.027 3.653 1.00 0.00 ATOM 408 CG ARG 66 31.631 -9.676 2.288 1.00 0.00 ATOM 409 CD ARG 66 31.067 -8.722 1.243 1.00 0.00 ATOM 410 NE ARG 66 31.225 -9.241 -0.119 1.00 0.00 ATOM 411 CZ ARG 66 30.420 -10.130 -0.706 1.00 0.00 ATOM 412 NH1 ARG 66 29.363 -10.626 -0.072 1.00 0.00 ATOM 413 NH2 ARG 66 30.703 -10.542 -1.932 1.00 0.00 ATOM 414 O ARG 66 30.606 -10.857 6.067 1.00 0.00 ATOM 415 C ARG 66 31.485 -11.012 5.214 1.00 0.00 ATOM 416 N LYS 67 31.731 -12.202 4.661 1.00 0.00 ATOM 417 CA LYS 67 30.949 -13.364 5.118 1.00 0.00 ATOM 418 CB LYS 67 31.232 -14.617 4.290 1.00 0.00 ATOM 419 CG LYS 67 30.396 -14.720 3.039 1.00 0.00 ATOM 420 CD LYS 67 30.774 -15.939 2.221 1.00 0.00 ATOM 421 CE LYS 67 30.019 -15.978 0.909 1.00 0.00 ATOM 422 NZ LYS 67 30.111 -17.320 0.277 1.00 0.00 ATOM 423 O LYS 67 30.442 -13.846 7.409 1.00 0.00 ATOM 424 C LYS 67 31.314 -13.640 6.569 1.00 0.00 ATOM 425 N ILE 68 32.615 -13.624 6.858 1.00 0.00 ATOM 426 CA ILE 68 33.119 -13.864 8.208 1.00 0.00 ATOM 427 CB ILE 68 34.660 -13.786 8.242 1.00 0.00 ATOM 428 CG1 ILE 68 35.244 -14.979 7.487 1.00 0.00 ATOM 429 CG2 ILE 68 35.157 -13.784 9.668 1.00 0.00 ATOM 430 CD1 ILE 68 36.719 -14.844 7.109 1.00 0.00 ATOM 431 O ILE 68 32.113 -13.288 10.299 1.00 0.00 ATOM 432 C ILE 68 32.551 -12.883 9.228 1.00 0.00 ATOM 433 N GLU 69 32.568 -11.595 8.904 1.00 0.00 ATOM 434 CA GLU 69 32.031 -10.593 9.820 1.00 0.00 ATOM 435 CB GLU 69 32.189 -9.189 9.232 1.00 0.00 ATOM 436 CG GLU 69 31.168 -8.191 9.748 1.00 0.00 ATOM 437 CD GLU 69 31.764 -6.822 9.999 1.00 0.00 ATOM 438 OE1 GLU 69 32.622 -6.404 9.194 1.00 0.00 ATOM 439 OE2 GLU 69 31.372 -6.163 10.990 1.00 0.00 ATOM 440 O GLU 69 30.091 -10.837 11.223 1.00 0.00 ATOM 441 C GLU 69 30.557 -10.873 10.081 1.00 0.00 ATOM 442 N ALA 70 29.828 -11.160 9.011 1.00 0.00 ATOM 443 CA ALA 70 28.410 -11.440 9.134 1.00 0.00 ATOM 444 CB ALA 70 27.803 -11.749 7.757 1.00 0.00 ATOM 445 O ALA 70 27.447 -12.423 11.092 1.00 0.00 ATOM 446 C ALA 70 28.167 -12.594 10.104 1.00 0.00 ATOM 447 N LYS 71 28.776 -13.752 9.825 1.00 0.00 ATOM 448 CA LYS 71 28.610 -14.938 10.676 1.00 0.00 ATOM 449 CB LYS 71 29.421 -16.116 10.137 1.00 0.00 ATOM 450 CG LYS 71 28.814 -16.782 8.920 1.00 0.00 ATOM 451 CD LYS 71 29.621 -17.999 8.501 1.00 0.00 ATOM 452 CE LYS 71 28.894 -18.797 7.434 1.00 0.00 ATOM 453 NZ LYS 71 29.652 -20.024 7.070 1.00 0.00 ATOM 454 O LYS 71 28.271 -15.010 13.037 1.00 0.00 ATOM 455 C LYS 71 29.008 -14.682 12.115 1.00 0.00 ATOM 456 N VAL 72 30.180 -14.092 12.298 1.00 0.00 ATOM 457 CA VAL 72 30.654 -13.774 13.632 1.00 0.00 ATOM 458 CB VAL 72 31.999 -13.025 13.604 1.00 0.00 ATOM 459 CG1 VAL 72 32.336 -12.513 15.006 1.00 0.00 ATOM 460 CG2 VAL 72 33.086 -13.951 13.094 1.00 0.00 ATOM 461 O VAL 72 29.123 -13.252 15.388 1.00 0.00 ATOM 462 C VAL 72 29.635 -12.896 14.327 1.00 0.00 ATOM 463 N ARG 73 29.344 -11.746 13.725 1.00 0.00 ATOM 464 CA ARG 73 28.381 -10.829 14.304 1.00 0.00 ATOM 465 CB ARG 73 28.140 -9.661 13.356 1.00 0.00 ATOM 466 CG ARG 73 27.033 -8.755 13.807 1.00 0.00 ATOM 467 CD ARG 73 26.837 -7.569 12.883 1.00 0.00 ATOM 468 NE ARG 73 27.731 -6.458 13.202 1.00 0.00 ATOM 469 CZ ARG 73 28.964 -6.335 12.737 1.00 0.00 ATOM 470 NH1 ARG 73 29.446 -7.266 11.933 1.00 0.00 ATOM 471 NH2 ARG 73 29.700 -5.279 13.063 1.00 0.00 ATOM 472 O ARG 73 26.462 -11.378 15.657 1.00 0.00 ATOM 473 C ARG 73 27.081 -11.585 14.618 1.00 0.00 ATOM 474 N SER 74 26.702 -12.496 13.732 1.00 0.00 ATOM 475 CA SER 74 25.502 -13.301 13.902 1.00 0.00 ATOM 476 CB SER 74 25.260 -14.119 12.626 1.00 0.00 ATOM 477 OG SER 74 24.108 -14.942 12.728 1.00 0.00 ATOM 478 O SER 74 24.664 -14.322 15.919 1.00 0.00 ATOM 479 C SER 74 25.588 -14.248 15.109 1.00 0.00 ATOM 480 N ARG 75 26.701 -14.973 15.222 1.00 0.00 ATOM 481 CA ARG 75 26.893 -15.929 16.308 1.00 0.00 ATOM 482 CB ARG 75 27.929 -16.973 15.901 1.00 0.00 ATOM 483 CG ARG 75 27.500 -17.773 14.708 1.00 0.00 ATOM 484 CD ARG 75 28.420 -18.924 14.417 1.00 0.00 ATOM 485 NE ARG 75 28.168 -19.449 13.082 1.00 0.00 ATOM 486 CZ ARG 75 28.804 -20.489 12.552 1.00 0.00 ATOM 487 NH1 ARG 75 29.736 -21.128 13.243 1.00 0.00 ATOM 488 NH2 ARG 75 28.518 -20.882 11.316 1.00 0.00 ATOM 489 O ARG 75 27.188 -16.044 18.680 1.00 0.00 ATOM 490 C ARG 75 27.286 -15.355 17.667 1.00 0.00 ATOM 491 N ALA 76 27.731 -14.107 17.697 1.00 0.00 ATOM 492 CA ALA 76 28.138 -13.490 18.946 1.00 0.00 ATOM 493 CB ALA 76 29.309 -12.552 18.705 1.00 0.00 ATOM 494 O ALA 76 27.073 -12.288 20.708 1.00 0.00 ATOM 495 C ALA 76 26.991 -12.718 19.558 1.00 0.00 ATOM 496 N ALA 77 25.922 -12.543 18.785 1.00 0.00 ATOM 497 CA ALA 77 24.758 -11.788 19.237 1.00 0.00 ATOM 498 CB ALA 77 23.652 -11.884 18.207 1.00 0.00 ATOM 499 O ALA 77 23.792 -11.342 21.386 1.00 0.00 ATOM 500 C ALA 77 24.219 -12.195 20.607 1.00 0.00 ATOM 501 N LYS 78 24.244 -13.490 20.907 1.00 0.00 ATOM 502 CA LYS 78 23.725 -13.965 22.183 1.00 0.00 ATOM 503 CB LYS 78 23.560 -15.487 22.156 1.00 0.00 ATOM 504 CG LYS 78 24.841 -16.279 21.992 1.00 0.00 ATOM 505 CD LYS 78 24.569 -17.778 22.141 1.00 0.00 ATOM 506 CE LYS 78 25.834 -18.607 21.938 1.00 0.00 ATOM 507 NZ LYS 78 25.609 -20.074 22.132 1.00 0.00 ATOM 508 O LYS 78 24.043 -13.493 24.512 1.00 0.00 ATOM 509 C LYS 78 24.562 -13.553 23.397 1.00 0.00 ATOM 510 N ALA 79 25.846 -13.273 23.185 1.00 0.00 ATOM 511 CA ALA 79 26.715 -12.865 24.290 1.00 0.00 ATOM 512 CB ALA 79 28.162 -12.772 23.820 1.00 0.00 ATOM 513 O ALA 79 25.760 -10.653 24.136 1.00 0.00 ATOM 514 C ALA 79 26.242 -11.526 24.864 1.00 0.00 ATOM 515 N VAL 80 26.397 -11.372 26.174 1.00 0.00 ATOM 516 CA VAL 80 25.946 -10.178 26.877 1.00 0.00 ATOM 517 CB VAL 80 24.666 -10.527 27.660 1.00 0.00 ATOM 518 CG1 VAL 80 24.377 -9.497 28.732 1.00 0.00 ATOM 519 CG2 VAL 80 23.513 -10.634 26.692 1.00 0.00 ATOM 520 O VAL 80 26.863 -8.531 28.382 1.00 0.00 ATOM 521 C VAL 80 27.010 -9.623 27.823 1.00 0.00 ATOM 522 N THR 81 28.090 -10.375 27.989 1.00 0.00 ATOM 523 CA THR 81 29.160 -9.957 28.870 1.00 0.00 ATOM 524 CB THR 81 29.209 -10.882 30.106 1.00 0.00 ATOM 525 CG2 THR 81 27.841 -10.953 30.777 1.00 0.00 ATOM 526 OG1 THR 81 29.573 -12.205 29.705 1.00 0.00 ATOM 527 O THR 81 30.593 -10.650 27.089 1.00 0.00 ATOM 528 C THR 81 30.484 -9.994 28.120 1.00 0.00 ATOM 529 N GLU 82 31.484 -9.280 28.637 1.00 0.00 ATOM 530 CA GLU 82 32.806 -9.244 28.019 1.00 0.00 ATOM 531 CB GLU 82 33.751 -8.302 28.778 1.00 0.00 ATOM 532 CG GLU 82 33.472 -6.807 28.619 1.00 0.00 ATOM 533 CD GLU 82 34.706 -5.946 28.909 1.00 0.00 ATOM 534 OE1 GLU 82 35.725 -6.106 28.200 1.00 0.00 ATOM 535 OE2 GLU 82 34.665 -5.108 29.839 1.00 0.00 ATOM 536 O GLU 82 34.019 -11.064 27.046 1.00 0.00 ATOM 537 C GLU 82 33.388 -10.641 28.014 1.00 0.00 ATOM 538 N GLN 83 33.160 -11.355 29.112 1.00 0.00 ATOM 539 CA GLN 83 33.636 -12.718 29.291 1.00 0.00 ATOM 540 CB GLN 83 33.313 -13.219 30.701 1.00 0.00 ATOM 541 CG GLN 83 33.786 -12.313 31.818 1.00 0.00 ATOM 542 CD GLN 83 35.251 -12.490 32.142 1.00 0.00 ATOM 543 OE1 GLN 83 36.108 -12.444 31.260 1.00 0.00 ATOM 544 NE2 GLN 83 35.550 -12.696 33.420 1.00 0.00 ATOM 545 O GLN 83 33.612 -14.349 27.532 1.00 0.00 ATOM 546 C GLN 83 32.954 -13.621 28.283 1.00 0.00 ATOM 547 N GLU 84 31.625 -13.583 28.272 1.00 0.00 ATOM 548 CA GLU 84 30.853 -14.398 27.339 1.00 0.00 ATOM 549 CB GLU 84 29.360 -14.126 27.486 1.00 0.00 ATOM 550 CG GLU 84 28.687 -14.904 28.597 1.00 0.00 ATOM 551 CD GLU 84 27.337 -14.321 28.966 1.00 0.00 ATOM 552 OE1 GLU 84 26.659 -14.881 29.857 1.00 0.00 ATOM 553 OE2 GLU 84 26.951 -13.293 28.366 1.00 0.00 ATOM 554 O GLU 84 31.579 -15.042 25.150 1.00 0.00 ATOM 555 C GLU 84 31.282 -14.120 25.904 1.00 0.00 ATOM 556 N LEU 85 31.331 -12.849 25.531 1.00 0.00 ATOM 557 CA LEU 85 31.734 -12.483 24.184 1.00 0.00 ATOM 558 CB LEU 85 31.738 -10.963 24.019 1.00 0.00 ATOM 559 CG LEU 85 32.224 -10.498 22.646 1.00 0.00 ATOM 560 CD1 LEU 85 31.524 -11.279 21.557 1.00 0.00 ATOM 561 CD2 LEU 85 31.956 -9.014 22.492 1.00 0.00 ATOM 562 O LEU 85 33.291 -13.583 22.725 1.00 0.00 ATOM 563 C LEU 85 33.112 -13.020 23.808 1.00 0.00 ATOM 564 N THR 86 34.078 -12.845 24.701 1.00 0.00 ATOM 565 CA THR 86 35.437 -13.315 24.446 1.00 0.00 ATOM 566 CB THR 86 36.426 -12.810 25.544 1.00 0.00 ATOM 567 CG2 THR 86 37.877 -13.154 25.170 1.00 0.00 ATOM 568 OG1 THR 86 36.310 -11.388 25.683 1.00 0.00 ATOM 569 O THR 86 36.235 -15.432 23.639 1.00 0.00 ATOM 570 C THR 86 35.486 -14.840 24.412 1.00 0.00 ATOM 571 N SER 87 34.691 -15.466 25.268 1.00 0.00 ATOM 572 CA SER 87 34.640 -16.915 25.342 1.00 0.00 ATOM 573 CB SER 87 33.781 -17.329 26.538 1.00 0.00 ATOM 574 OG SER 87 33.396 -18.686 26.450 1.00 0.00 ATOM 575 O SER 87 34.610 -18.438 23.484 1.00 0.00 ATOM 576 C SER 87 34.063 -17.499 24.053 1.00 0.00 ATOM 577 N LEU 88 32.961 -16.923 23.596 1.00 0.00 ATOM 578 CA LEU 88 32.303 -17.379 22.388 1.00 0.00 ATOM 579 CB LEU 88 30.979 -16.624 22.223 1.00 0.00 ATOM 580 CG LEU 88 30.057 -16.930 21.043 1.00 0.00 ATOM 581 CD1 LEU 88 28.669 -16.398 21.364 1.00 0.00 ATOM 582 CD2 LEU 88 30.603 -16.308 19.763 1.00 0.00 ATOM 583 O LEU 88 33.297 -18.126 20.333 1.00 0.00 ATOM 584 C LEU 88 33.177 -17.211 21.147 1.00 0.00 ATOM 585 N LEU 89 33.783 -16.042 21.005 1.00 0.00 ATOM 586 CA LEU 89 34.630 -15.771 19.852 1.00 0.00 ATOM 587 CB LEU 89 35.222 -14.362 19.947 1.00 0.00 ATOM 588 CG LEU 89 34.228 -13.208 19.842 1.00 0.00 ATOM 589 CD1 LEU 89 34.896 -11.904 20.269 1.00 0.00 ATOM 590 CD2 LEU 89 33.702 -13.121 18.417 1.00 0.00 ATOM 591 O LEU 89 35.972 -17.368 18.684 1.00 0.00 ATOM 592 C LEU 89 35.757 -16.779 19.739 1.00 0.00 ATOM 593 N GLN 90 36.475 -16.977 20.835 1.00 0.00 ATOM 594 CA GLN 90 37.597 -17.902 20.842 1.00 0.00 ATOM 595 CB GLN 90 38.209 -17.952 22.240 1.00 0.00 ATOM 596 CG GLN 90 38.747 -16.598 22.695 1.00 0.00 ATOM 597 CD GLN 90 39.779 -16.721 23.797 1.00 0.00 ATOM 598 OE1 GLN 90 40.338 -15.719 24.258 1.00 0.00 ATOM 599 NE2 GLN 90 40.045 -17.952 24.226 1.00 0.00 ATOM 600 O GLN 90 37.943 -19.895 19.559 1.00 0.00 ATOM 601 C GLN 90 37.223 -19.299 20.353 1.00 0.00 ATOM 602 N SER 91 36.085 -19.803 20.813 1.00 0.00 ATOM 603 CA SER 91 35.627 -21.128 20.426 1.00 0.00 ATOM 604 CB SER 91 34.586 -21.611 21.425 1.00 0.00 ATOM 605 OG SER 91 34.282 -20.583 22.337 1.00 0.00 ATOM 606 O SER 91 34.664 -22.286 18.558 1.00 0.00 ATOM 607 C SER 91 35.044 -21.204 19.015 1.00 0.00 ATOM 608 N LEU 92 34.978 -20.066 18.330 1.00 0.00 ATOM 609 CA LEU 92 34.429 -20.004 16.977 1.00 0.00 ATOM 610 CB LEU 92 34.169 -18.558 16.558 1.00 0.00 ATOM 611 CG LEU 92 32.916 -17.828 17.000 1.00 0.00 ATOM 612 CD1 LEU 92 32.825 -16.522 16.211 1.00 0.00 ATOM 613 CD2 LEU 92 31.695 -18.705 16.754 1.00 0.00 ATOM 614 O LEU 92 36.475 -20.326 15.779 1.00 0.00 ATOM 615 C LEU 92 35.278 -20.606 15.882 1.00 0.00 ATOM 616 N THR 93 34.634 -21.413 15.049 1.00 0.00 ATOM 617 CA THR 93 35.274 -22.028 13.897 1.00 0.00 ATOM 618 CB THR 93 35.516 -23.529 14.104 1.00 0.00 ATOM 619 CG2 THR 93 36.318 -24.097 12.948 1.00 0.00 ATOM 620 OG1 THR 93 36.259 -23.724 15.310 1.00 0.00 ATOM 621 O THR 93 33.093 -22.149 12.927 1.00 0.00 ATOM 622 C THR 93 34.262 -21.803 12.783 1.00 0.00 ATOM 623 N LEU 94 34.697 -21.206 11.679 1.00 0.00 ATOM 624 CA LEU 94 33.778 -20.920 10.587 1.00 0.00 ATOM 625 CB LEU 94 33.628 -19.399 10.425 1.00 0.00 ATOM 626 CG LEU 94 33.207 -18.620 11.681 1.00 0.00 ATOM 627 CD1 LEU 94 33.163 -17.135 11.376 1.00 0.00 ATOM 628 CD2 LEU 94 31.847 -19.103 12.166 1.00 0.00 ATOM 629 O LEU 94 35.374 -21.388 8.874 1.00 0.00 ATOM 630 C LEU 94 34.219 -21.518 9.271 1.00 0.00 ATOM 631 N ARG 95 33.294 -22.192 8.604 1.00 0.00 ATOM 632 CA ARG 95 33.582 -22.768 7.300 1.00 0.00 ATOM 633 CB ARG 95 32.872 -24.105 7.149 1.00 0.00 ATOM 634 CG ARG 95 32.881 -24.642 5.742 1.00 0.00 ATOM 635 CD ARG 95 32.872 -26.157 5.776 1.00 0.00 ATOM 636 NE ARG 95 34.165 -26.701 5.372 1.00 0.00 ATOM 637 CZ ARG 95 34.631 -27.882 5.754 1.00 0.00 ATOM 638 NH1 ARG 95 33.918 -28.652 6.566 1.00 0.00 ATOM 639 NH2 ARG 95 35.807 -28.300 5.302 1.00 0.00 ATOM 640 O ARG 95 31.879 -21.371 6.322 1.00 0.00 ATOM 641 C ARG 95 33.049 -21.753 6.287 1.00 0.00 ATOM 642 N VAL 96 33.902 -21.287 5.394 1.00 0.00 ATOM 643 CA VAL 96 33.446 -20.309 4.427 1.00 0.00 ATOM 644 CB VAL 96 34.068 -18.915 4.707 1.00 0.00 ATOM 645 CG1 VAL 96 33.859 -17.979 3.530 1.00 0.00 ATOM 646 CG2 VAL 96 33.419 -18.314 5.945 1.00 0.00 ATOM 647 O VAL 96 34.786 -21.122 2.606 1.00 0.00 ATOM 648 C VAL 96 33.697 -20.698 2.981 1.00 0.00 ATOM 649 N ASP 97 32.647 -20.562 2.182 1.00 0.00 ATOM 650 CA ASP 97 32.686 -20.837 0.752 1.00 0.00 ATOM 651 CB ASP 97 31.341 -21.377 0.272 1.00 0.00 ATOM 652 CG ASP 97 31.205 -22.870 0.428 1.00 0.00 ATOM 653 OD1 ASP 97 30.068 -23.353 0.224 1.00 0.00 ATOM 654 OD2 ASP 97 32.205 -23.559 0.730 1.00 0.00 ATOM 655 O ASP 97 32.227 -18.522 0.384 1.00 0.00 ATOM 656 C ASP 97 32.896 -19.501 0.050 1.00 0.00 ATOM 657 N VAL 98 33.808 -19.459 -0.915 1.00 0.00 ATOM 658 CA VAL 98 34.047 -18.229 -1.661 1.00 0.00 ATOM 659 CB VAL 98 35.358 -17.501 -1.198 1.00 0.00 ATOM 660 CG1 VAL 98 35.202 -17.014 0.231 1.00 0.00 ATOM 661 CG2 VAL 98 36.557 -18.423 -1.306 1.00 0.00 ATOM 662 O VAL 98 34.696 -19.563 -3.557 1.00 0.00 ATOM 663 C VAL 98 34.123 -18.549 -3.156 1.00 0.00 ATOM 664 N SER 99 33.533 -17.684 -3.971 1.00 0.00 ATOM 665 CA SER 99 33.516 -17.890 -5.407 1.00 0.00 ATOM 666 CB SER 99 32.150 -18.422 -5.838 1.00 0.00 ATOM 667 OG SER 99 32.059 -18.511 -7.251 1.00 0.00 ATOM 668 O SER 99 33.417 -15.550 -5.789 1.00 0.00 ATOM 669 C SER 99 33.806 -16.636 -6.194 1.00 0.00 ATOM 670 N MET 100 34.485 -16.801 -7.328 1.00 0.00 ATOM 671 CA MET 100 34.790 -15.683 -8.213 1.00 0.00 ATOM 672 CB MET 100 35.643 -16.138 -9.399 1.00 0.00 ATOM 673 CG MET 100 37.120 -16.261 -9.120 1.00 0.00 ATOM 674 SD MET 100 37.988 -14.547 -8.815 1.00 0.00 ATOM 675 CE MET 100 38.051 -13.911 -10.649 1.00 0.00 ATOM 676 O MET 100 33.361 -13.964 -9.098 1.00 0.00 ATOM 677 C MET 100 33.466 -15.134 -8.747 1.00 0.00 ATOM 678 N GLU 101 32.445 -15.979 -8.806 1.00 0.00 ATOM 679 CA GLU 101 31.188 -15.502 -9.315 1.00 0.00 ATOM 680 CB GLU 101 30.457 -16.622 -10.088 1.00 0.00 ATOM 681 CG GLU 101 29.815 -17.723 -9.277 1.00 0.00 ATOM 682 CD GLU 101 29.094 -18.754 -10.157 1.00 0.00 ATOM 683 OE1 GLU 101 28.241 -19.493 -9.618 1.00 0.00 ATOM 684 OE2 GLU 101 29.383 -18.833 -11.375 1.00 0.00 ATOM 685 O GLU 101 29.189 -14.485 -8.492 1.00 0.00 ATOM 686 C GLU 101 30.326 -14.848 -8.236 1.00 0.00 ATOM 687 N GLU 102 30.894 -14.663 -7.044 1.00 0.00 ATOM 688 CA GLU 102 30.186 -14.006 -5.942 1.00 0.00 ATOM 689 CB GLU 102 30.412 -14.732 -4.629 1.00 0.00 ATOM 690 CG GLU 102 29.642 -16.003 -4.473 1.00 0.00 ATOM 691 CD GLU 102 29.708 -16.492 -3.053 1.00 0.00 ATOM 692 OE1 GLU 102 30.836 -16.588 -2.514 1.00 0.00 ATOM 693 OE2 GLU 102 28.635 -16.763 -2.480 1.00 0.00 ATOM 694 O GLU 102 30.190 -11.901 -4.814 1.00 0.00 ATOM 695 C GLU 102 30.630 -12.560 -5.748 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 T0300.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0300)S33.C and (T0300)S55.C only 0 apart, marking (T0300)S55.C as missing WARNING: atoms too close: (T0300)S34.N and (T0300)S56.N only 0 apart, marking (T0300)S34.N as missing WARNING: atoms too close: (T0300)S34.CA and (T0300)S56.CA only 0 apart, marking (T0300)S34.CA as missing # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:Warning: Couldn't open file decoys/align1.gdt for output # fraction of real conformation used = 0.528 # GDT_score = -27.528 # GDT_score(maxd=8.000,maxw=2.900)= -27.436 # GDT_score(maxd=8.000,maxw=3.200)= -27.063 # GDT_score(maxd=8.000,maxw=3.500)= -26.651 # GDT_score(maxd=10.000,maxw=3.800)= -27.127 # GDT_score(maxd=10.000,maxw=4.000)= -26.789 # GDT_score(maxd=10.000,maxw=4.200)= -26.473 # GDT_score(maxd=12.000,maxw=4.300)= -27.142 # GDT_score(maxd=12.000,maxw=4.500)= -26.822 # GDT_score(maxd=12.000,maxw=4.700)= -26.464 # GDT_score(maxd=14.000,maxw=5.200)= -26.379 # GDT_score(maxd=14.000,maxw=5.500)= -25.746 # command:# ReadConformPDB reading from PDB file T0300.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0300)S39.C and (T0300)I43.C only 0 apart, marking (T0300)I43.C as missing WARNING: atoms too close: (T0300)D40.N and (T0300)L44.N only 0 apart, marking (T0300)D40.N as missing WARNING: atoms too close: (T0300)D40.CA and (T0300)L44.CA only 0 apart, marking (T0300)D40.CA as missing # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.562 # GDT_score = -21.348 # GDT_score(maxd=8.000,maxw=2.900)= -20.256 # GDT_score(maxd=8.000,maxw=3.200)= -20.042 # GDT_score(maxd=8.000,maxw=3.500)= -19.801 # GDT_score(maxd=10.000,maxw=3.800)= -20.655 # GDT_score(maxd=10.000,maxw=4.000)= -20.465 # GDT_score(maxd=10.000,maxw=4.200)= -20.293 # GDT_score(maxd=12.000,maxw=4.300)= -21.508 # GDT_score(maxd=12.000,maxw=4.500)= -21.301 # GDT_score(maxd=12.000,maxw=4.700)= -21.082 # GDT_score(maxd=14.000,maxw=5.200)= -21.616 # GDT_score(maxd=14.000,maxw=5.500)= -21.084 # command:# ReadConformPDB reading from PDB file T0300.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0300)R19.C and (T0300)L22.C only 0 apart, marking (T0300)L22.C as missing WARNING: atoms too close: (T0300)L20.N and (T0300)E23.N only 0 apart, marking (T0300)L20.N as missing WARNING: atoms too close: (T0300)L20.CA and (T0300)E23.CA only 0 apart, marking (T0300)L20.CA as missing # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0300.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0300.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0300)V63.C and (T0300)A64.C only 0 apart, marking (T0300)A64.C as missing WARNING: atoms too close: (T0300)A64.N and (T0300)M65.N only 0 apart, marking (T0300)A64.N as missing WARNING: atoms too close: (T0300)A64.CA and (T0300)M65.CA only 0 apart, marking (T0300)A64.CA as missing # WARNING: incomplete conformation T0300 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 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try1-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 T0300.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try10-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0300.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try10-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 T0300.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try12-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 T0300.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try16-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0300.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try2-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0300.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0300.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try4-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0300.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try4-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 T0300.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try5-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0300.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try8-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0300.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try9-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0300.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file georgesuggestion.renum.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotate5monomer.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotate5monomerFixed2.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry2attempt1.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry2attempt2.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry3attempt1.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry3attempt2.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry3attempt3.fix.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry3attempt3.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateNterm2FromTry3.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-rotate5.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-rotate5 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-rotate5fixed.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-rotate5fixed # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-rotateNterm2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-rotateNterm2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try3-1jm0A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try3-1jm0A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer.flipped180.renum.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer.flipped180.renum # ReadConformPDB reading from PDB file ../dimer/decoys/dimer.rot5.renum.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer.rot5.renum # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_694758249.pdb -s /var/tmp/to_scwrl_694758249.seq -o /var/tmp/from_scwrl_694758249.pdb > /var/tmp/scwrl_694758249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694758249.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 T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1152252434.pdb -s /var/tmp/to_scwrl_1152252434.seq -o /var/tmp/from_scwrl_1152252434.pdb > /var/tmp/scwrl_1152252434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152252434.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 T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1896708341.pdb -s /var/tmp/to_scwrl_1896708341.seq -o /var/tmp/from_scwrl_1896708341.pdb > /var/tmp/scwrl_1896708341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1896708341.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 T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_707419354.pdb -s /var/tmp/to_scwrl_707419354.seq -o /var/tmp/from_scwrl_707419354.pdb > /var/tmp/scwrl_707419354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707419354.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 T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1727931180.pdb -s /var/tmp/to_scwrl_1727931180.seq -o /var/tmp/from_scwrl_1727931180.pdb > /var/tmp/scwrl_1727931180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1727931180.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 T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_493335501.pdb -s /var/tmp/to_scwrl_493335501.seq -o /var/tmp/from_scwrl_493335501.pdb > /var/tmp/scwrl_493335501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493335501.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1776788160.pdb -s /var/tmp/to_scwrl_1776788160.seq -o /var/tmp/from_scwrl_1776788160.pdb > /var/tmp/scwrl_1776788160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1776788160.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-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 92 ; scwrl3 -i /var/tmp/to_scwrl_49970352.pdb -s /var/tmp/to_scwrl_49970352.seq -o /var/tmp/from_scwrl_49970352.pdb > /var/tmp/scwrl_49970352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_49970352.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1067096020.pdb -s /var/tmp/to_scwrl_1067096020.seq -o /var/tmp/from_scwrl_1067096020.pdb > /var/tmp/scwrl_1067096020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067096020.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 94 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1211488183.pdb -s /var/tmp/to_scwrl_1211488183.seq -o /var/tmp/from_scwrl_1211488183.pdb > /var/tmp/scwrl_1211488183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211488183.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_701913494.pdb -s /var/tmp/to_scwrl_701913494.seq -o /var/tmp/from_scwrl_701913494.pdb > /var/tmp/scwrl_701913494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701913494.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1456481802.pdb -s /var/tmp/to_scwrl_1456481802.seq -o /var/tmp/from_scwrl_1456481802.pdb > /var/tmp/scwrl_1456481802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1456481802.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 93 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_353432736.pdb -s /var/tmp/to_scwrl_353432736.seq -o /var/tmp/from_scwrl_353432736.pdb > /var/tmp/scwrl_353432736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353432736.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 94 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_747128894.pdb -s /var/tmp/to_scwrl_747128894.seq -o /var/tmp/from_scwrl_747128894.pdb > /var/tmp/scwrl_747128894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_747128894.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 92 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_493682498.pdb -s /var/tmp/to_scwrl_493682498.seq -o /var/tmp/from_scwrl_493682498.pdb > /var/tmp/scwrl_493682498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493682498.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 96 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1097117865.pdb -s /var/tmp/to_scwrl_1097117865.seq -o /var/tmp/from_scwrl_1097117865.pdb > /var/tmp/scwrl_1097117865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097117865.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 93 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2135100658.pdb -s /var/tmp/to_scwrl_2135100658.seq -o /var/tmp/from_scwrl_2135100658.pdb > /var/tmp/scwrl_2135100658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2135100658.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 67 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1288999189.pdb -s /var/tmp/to_scwrl_1288999189.seq -o /var/tmp/from_scwrl_1288999189.pdb > /var/tmp/scwrl_1288999189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288999189.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 41 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_465400097.pdb -s /var/tmp/to_scwrl_465400097.seq -o /var/tmp/from_scwrl_465400097.pdb > /var/tmp/scwrl_465400097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465400097.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1118791405.pdb -s /var/tmp/to_scwrl_1118791405.seq -o /var/tmp/from_scwrl_1118791405.pdb > /var/tmp/scwrl_1118791405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1118791405.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1563346080.pdb -s /var/tmp/to_scwrl_1563346080.seq -o /var/tmp/from_scwrl_1563346080.pdb > /var/tmp/scwrl_1563346080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563346080.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 T0300 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2103307509.pdb -s /var/tmp/to_scwrl_2103307509.seq -o /var/tmp/from_scwrl_2103307509.pdb > /var/tmp/scwrl_2103307509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103307509.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1102025945.pdb -s /var/tmp/to_scwrl_1102025945.seq -o /var/tmp/from_scwrl_1102025945.pdb > /var/tmp/scwrl_1102025945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102025945.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1929374709.pdb -s /var/tmp/to_scwrl_1929374709.seq -o /var/tmp/from_scwrl_1929374709.pdb > /var/tmp/scwrl_1929374709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1929374709.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_263824178.pdb -s /var/tmp/to_scwrl_263824178.seq -o /var/tmp/from_scwrl_263824178.pdb > /var/tmp/scwrl_263824178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_263824178.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # Found a chain break before 10 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_803869509.pdb -s /var/tmp/to_scwrl_803869509.seq -o /var/tmp/from_scwrl_803869509.pdb > /var/tmp/scwrl_803869509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803869509.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_232302263.pdb -s /var/tmp/to_scwrl_232302263.seq -o /var/tmp/from_scwrl_232302263.pdb > /var/tmp/scwrl_232302263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_232302263.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_975401367.pdb -s /var/tmp/to_scwrl_975401367.seq -o /var/tmp/from_scwrl_975401367.pdb > /var/tmp/scwrl_975401367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975401367.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_570558063.pdb -s /var/tmp/to_scwrl_570558063.seq -o /var/tmp/from_scwrl_570558063.pdb > /var/tmp/scwrl_570558063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_570558063.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 T0300 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_75704257.pdb -s /var/tmp/to_scwrl_75704257.seq -o /var/tmp/from_scwrl_75704257.pdb > /var/tmp/scwrl_75704257.log Error: Couldn't open file /var/tmp/from_scwrl_75704257.pdb or /var/tmp/from_scwrl_75704257.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_75704257_b.pdb or decoys//var/tmp/from_scwrl_75704257_b.pdb.gz for input Trying /var/tmp/from_scwrl_75704257_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_75704257_b.pdb or /var/tmp/from_scwrl_75704257_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_75704257_a.pdb or decoys//var/tmp/from_scwrl_75704257_a.pdb.gz for input Trying /var/tmp/from_scwrl_75704257_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_75704257_a.pdb or /var/tmp/from_scwrl_75704257_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_75704257.pdb or /var/tmp/from_scwrl_75704257_b.pdb or /var/tmp/from_scwrl_75704257_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 T0300 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1959876178.pdb -s /var/tmp/to_scwrl_1959876178.seq -o /var/tmp/from_scwrl_1959876178.pdb > /var/tmp/scwrl_1959876178.log Error: Couldn't open file /var/tmp/from_scwrl_1959876178.pdb or /var/tmp/from_scwrl_1959876178.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1959876178_b.pdb or decoys//var/tmp/from_scwrl_1959876178_b.pdb.gz for input Trying /var/tmp/from_scwrl_1959876178_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1959876178_b.pdb or /var/tmp/from_scwrl_1959876178_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1959876178_a.pdb or decoys//var/tmp/from_scwrl_1959876178_a.pdb.gz for input Trying /var/tmp/from_scwrl_1959876178_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1959876178_a.pdb or /var/tmp/from_scwrl_1959876178_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1959876178.pdb or /var/tmp/from_scwrl_1959876178_b.pdb or /var/tmp/from_scwrl_1959876178_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 T0300 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1265316311.pdb -s /var/tmp/to_scwrl_1265316311.seq -o /var/tmp/from_scwrl_1265316311.pdb > /var/tmp/scwrl_1265316311.log Error: Couldn't open file /var/tmp/from_scwrl_1265316311.pdb or /var/tmp/from_scwrl_1265316311.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1265316311_b.pdb or decoys//var/tmp/from_scwrl_1265316311_b.pdb.gz for input Trying /var/tmp/from_scwrl_1265316311_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1265316311_b.pdb or /var/tmp/from_scwrl_1265316311_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1265316311_a.pdb or decoys//var/tmp/from_scwrl_1265316311_a.pdb.gz for input Trying /var/tmp/from_scwrl_1265316311_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1265316311_a.pdb or /var/tmp/from_scwrl_1265316311_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1265316311.pdb or /var/tmp/from_scwrl_1265316311_b.pdb or /var/tmp/from_scwrl_1265316311_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 T0300 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1227956692.pdb -s /var/tmp/to_scwrl_1227956692.seq -o /var/tmp/from_scwrl_1227956692.pdb > /var/tmp/scwrl_1227956692.log Error: Couldn't open file /var/tmp/from_scwrl_1227956692.pdb or /var/tmp/from_scwrl_1227956692.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1227956692_b.pdb or decoys//var/tmp/from_scwrl_1227956692_b.pdb.gz for input Trying /var/tmp/from_scwrl_1227956692_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1227956692_b.pdb or /var/tmp/from_scwrl_1227956692_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1227956692_a.pdb or decoys//var/tmp/from_scwrl_1227956692_a.pdb.gz for input Trying /var/tmp/from_scwrl_1227956692_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1227956692_a.pdb or /var/tmp/from_scwrl_1227956692_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1227956692.pdb or /var/tmp/from_scwrl_1227956692_b.pdb or /var/tmp/from_scwrl_1227956692_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 T0300 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1709100872.pdb -s /var/tmp/to_scwrl_1709100872.seq -o /var/tmp/from_scwrl_1709100872.pdb > /var/tmp/scwrl_1709100872.log Error: Couldn't open file /var/tmp/from_scwrl_1709100872.pdb or /var/tmp/from_scwrl_1709100872.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1709100872_b.pdb or decoys//var/tmp/from_scwrl_1709100872_b.pdb.gz for input Trying /var/tmp/from_scwrl_1709100872_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1709100872_b.pdb or /var/tmp/from_scwrl_1709100872_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1709100872_a.pdb or decoys//var/tmp/from_scwrl_1709100872_a.pdb.gz for input Trying /var/tmp/from_scwrl_1709100872_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1709100872_a.pdb or /var/tmp/from_scwrl_1709100872_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1709100872.pdb or /var/tmp/from_scwrl_1709100872_b.pdb or /var/tmp/from_scwrl_1709100872_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1972735665.pdb -s /var/tmp/to_scwrl_1972735665.seq -o /var/tmp/from_scwrl_1972735665.pdb > /var/tmp/scwrl_1972735665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1972735665.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 T0300 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_808404226.pdb -s /var/tmp/to_scwrl_808404226.seq -o /var/tmp/from_scwrl_808404226.pdb > /var/tmp/scwrl_808404226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_808404226.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 T0300 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_54952727.pdb -s /var/tmp/to_scwrl_54952727.seq -o /var/tmp/from_scwrl_54952727.pdb > /var/tmp/scwrl_54952727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_54952727.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1602040178.pdb -s /var/tmp/to_scwrl_1602040178.seq -o /var/tmp/from_scwrl_1602040178.pdb > /var/tmp/scwrl_1602040178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1602040178.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 T0300 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_858374578.pdb -s /var/tmp/to_scwrl_858374578.seq -o /var/tmp/from_scwrl_858374578.pdb > /var/tmp/scwrl_858374578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_858374578.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 96 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1122048746.pdb -s /var/tmp/to_scwrl_1122048746.seq -o /var/tmp/from_scwrl_1122048746.pdb > /var/tmp/scwrl_1122048746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122048746.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_666044715.pdb -s /var/tmp/to_scwrl_666044715.seq -o /var/tmp/from_scwrl_666044715.pdb > /var/tmp/scwrl_666044715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_666044715.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 T0300 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1560288071.pdb -s /var/tmp/to_scwrl_1560288071.seq -o /var/tmp/from_scwrl_1560288071.pdb > /var/tmp/scwrl_1560288071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1560288071.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_431046902.pdb -s /var/tmp/to_scwrl_431046902.seq -o /var/tmp/from_scwrl_431046902.pdb > /var/tmp/scwrl_431046902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431046902.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 99 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1019477451.pdb -s /var/tmp/to_scwrl_1019477451.seq -o /var/tmp/from_scwrl_1019477451.pdb > /var/tmp/scwrl_1019477451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1019477451.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 92 ; scwrl3 -i /var/tmp/to_scwrl_159933319.pdb -s /var/tmp/to_scwrl_159933319.seq -o /var/tmp/from_scwrl_159933319.pdb > /var/tmp/scwrl_159933319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159933319.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 # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_924729401.pdb -s /var/tmp/to_scwrl_924729401.seq -o /var/tmp/from_scwrl_924729401.pdb > /var/tmp/scwrl_924729401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_924729401.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 # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2116595316.pdb -s /var/tmp/to_scwrl_2116595316.seq -o /var/tmp/from_scwrl_2116595316.pdb > /var/tmp/scwrl_2116595316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116595316.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_147550330.pdb -s /var/tmp/to_scwrl_147550330.seq -o /var/tmp/from_scwrl_147550330.pdb > /var/tmp/scwrl_147550330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147550330.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_66244943.pdb -s /var/tmp/to_scwrl_66244943.seq -o /var/tmp/from_scwrl_66244943.pdb > /var/tmp/scwrl_66244943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_66244943.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_434511767.pdb -s /var/tmp/to_scwrl_434511767.seq -o /var/tmp/from_scwrl_434511767.pdb > /var/tmp/scwrl_434511767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434511767.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1266341735.pdb -s /var/tmp/to_scwrl_1266341735.seq -o /var/tmp/from_scwrl_1266341735.pdb > /var/tmp/scwrl_1266341735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266341735.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1629591023.pdb -s /var/tmp/to_scwrl_1629591023.seq -o /var/tmp/from_scwrl_1629591023.pdb > /var/tmp/scwrl_1629591023.log Error: Couldn't open file /var/tmp/from_scwrl_1629591023.pdb or /var/tmp/from_scwrl_1629591023.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1629591023_b.pdb or decoys//var/tmp/from_scwrl_1629591023_b.pdb.gz for input Trying /var/tmp/from_scwrl_1629591023_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1629591023_b.pdb or /var/tmp/from_scwrl_1629591023_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1629591023_a.pdb or decoys//var/tmp/from_scwrl_1629591023_a.pdb.gz for input Trying /var/tmp/from_scwrl_1629591023_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1629591023_a.pdb or /var/tmp/from_scwrl_1629591023_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1629591023.pdb or /var/tmp/from_scwrl_1629591023_b.pdb or /var/tmp/from_scwrl_1629591023_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_390335629.pdb -s /var/tmp/to_scwrl_390335629.seq -o /var/tmp/from_scwrl_390335629.pdb > /var/tmp/scwrl_390335629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_390335629.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_220884034.pdb -s /var/tmp/to_scwrl_220884034.seq -o /var/tmp/from_scwrl_220884034.pdb > /var/tmp/scwrl_220884034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_220884034.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1411482085.pdb -s /var/tmp/to_scwrl_1411482085.seq -o /var/tmp/from_scwrl_1411482085.pdb > /var/tmp/scwrl_1411482085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411482085.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_654159808.pdb -s /var/tmp/to_scwrl_654159808.seq -o /var/tmp/from_scwrl_654159808.pdb > /var/tmp/scwrl_654159808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654159808.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1024753543.pdb -s /var/tmp/to_scwrl_1024753543.seq -o /var/tmp/from_scwrl_1024753543.pdb > /var/tmp/scwrl_1024753543.log Error: Couldn't open file /var/tmp/from_scwrl_1024753543.pdb or /var/tmp/from_scwrl_1024753543.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1024753543_b.pdb or decoys//var/tmp/from_scwrl_1024753543_b.pdb.gz for input Trying /var/tmp/from_scwrl_1024753543_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1024753543_b.pdb or /var/tmp/from_scwrl_1024753543_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1024753543_a.pdb or decoys//var/tmp/from_scwrl_1024753543_a.pdb.gz for input Trying /var/tmp/from_scwrl_1024753543_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1024753543_a.pdb or /var/tmp/from_scwrl_1024753543_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1024753543.pdb or /var/tmp/from_scwrl_1024753543_b.pdb or /var/tmp/from_scwrl_1024753543_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1643784349.pdb -s /var/tmp/to_scwrl_1643784349.seq -o /var/tmp/from_scwrl_1643784349.pdb > /var/tmp/scwrl_1643784349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643784349.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1629561174.pdb -s /var/tmp/to_scwrl_1629561174.seq -o /var/tmp/from_scwrl_1629561174.pdb > /var/tmp/scwrl_1629561174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1629561174.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 91 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1595311605.pdb -s /var/tmp/to_scwrl_1595311605.seq -o /var/tmp/from_scwrl_1595311605.pdb > /var/tmp/scwrl_1595311605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595311605.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1719488606.pdb -s /var/tmp/to_scwrl_1719488606.seq -o /var/tmp/from_scwrl_1719488606.pdb > /var/tmp/scwrl_1719488606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719488606.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1441953705.pdb -s /var/tmp/to_scwrl_1441953705.seq -o /var/tmp/from_scwrl_1441953705.pdb > /var/tmp/scwrl_1441953705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441953705.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_713144270.pdb -s /var/tmp/to_scwrl_713144270.seq -o /var/tmp/from_scwrl_713144270.pdb > /var/tmp/scwrl_713144270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_713144270.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_799961652.pdb -s /var/tmp/to_scwrl_799961652.seq -o /var/tmp/from_scwrl_799961652.pdb > /var/tmp/scwrl_799961652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_799961652.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1003570931.pdb -s /var/tmp/to_scwrl_1003570931.seq -o /var/tmp/from_scwrl_1003570931.pdb > /var/tmp/scwrl_1003570931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1003570931.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_538396288.pdb -s /var/tmp/to_scwrl_538396288.seq -o /var/tmp/from_scwrl_538396288.pdb > /var/tmp/scwrl_538396288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_538396288.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1608365877.pdb -s /var/tmp/to_scwrl_1608365877.seq -o /var/tmp/from_scwrl_1608365877.pdb > /var/tmp/scwrl_1608365877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608365877.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1058523658.pdb -s /var/tmp/to_scwrl_1058523658.seq -o /var/tmp/from_scwrl_1058523658.pdb > /var/tmp/scwrl_1058523658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1058523658.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 T0300 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2140436466.pdb -s /var/tmp/to_scwrl_2140436466.seq -o /var/tmp/from_scwrl_2140436466.pdb > /var/tmp/scwrl_2140436466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2140436466.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_319256808.pdb -s /var/tmp/to_scwrl_319256808.seq -o /var/tmp/from_scwrl_319256808.pdb > /var/tmp/scwrl_319256808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_319256808.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 T0300 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_33088757.pdb -s /var/tmp/to_scwrl_33088757.seq -o /var/tmp/from_scwrl_33088757.pdb > /var/tmp/scwrl_33088757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_33088757.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 T0300 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_658997534.pdb -s /var/tmp/to_scwrl_658997534.seq -o /var/tmp/from_scwrl_658997534.pdb > /var/tmp/scwrl_658997534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_658997534.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1879544880.pdb -s /var/tmp/to_scwrl_1879544880.seq -o /var/tmp/from_scwrl_1879544880.pdb > /var/tmp/scwrl_1879544880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1879544880.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 T0300 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_464135660.pdb -s /var/tmp/to_scwrl_464135660.seq -o /var/tmp/from_scwrl_464135660.pdb > /var/tmp/scwrl_464135660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464135660.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 90 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1678474984.pdb -s /var/tmp/to_scwrl_1678474984.seq -o /var/tmp/from_scwrl_1678474984.pdb > /var/tmp/scwrl_1678474984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678474984.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 80 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2039478199.pdb -s /var/tmp/to_scwrl_2039478199.seq -o /var/tmp/from_scwrl_2039478199.pdb > /var/tmp/scwrl_2039478199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2039478199.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 96 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1388865060.pdb -s /var/tmp/to_scwrl_1388865060.seq -o /var/tmp/from_scwrl_1388865060.pdb > /var/tmp/scwrl_1388865060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1388865060.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 83 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1647586654.pdb -s /var/tmp/to_scwrl_1647586654.seq -o /var/tmp/from_scwrl_1647586654.pdb > /var/tmp/scwrl_1647586654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1647586654.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 97 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_39544882.pdb -s /var/tmp/to_scwrl_39544882.seq -o /var/tmp/from_scwrl_39544882.pdb > /var/tmp/scwrl_39544882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_39544882.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1455110003.pdb -s /var/tmp/to_scwrl_1455110003.seq -o /var/tmp/from_scwrl_1455110003.pdb > /var/tmp/scwrl_1455110003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1455110003.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 # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2082098421.pdb -s /var/tmp/to_scwrl_2082098421.seq -o /var/tmp/from_scwrl_2082098421.pdb > /var/tmp/scwrl_2082098421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2082098421.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1305886618.pdb -s /var/tmp/to_scwrl_1305886618.seq -o /var/tmp/from_scwrl_1305886618.pdb > /var/tmp/scwrl_1305886618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1305886618.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_937217380.pdb -s /var/tmp/to_scwrl_937217380.seq -o /var/tmp/from_scwrl_937217380.pdb > /var/tmp/scwrl_937217380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_937217380.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 78 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_324950403.pdb -s /var/tmp/to_scwrl_324950403.seq -o /var/tmp/from_scwrl_324950403.pdb > /var/tmp/scwrl_324950403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324950403.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1526770652.pdb -s /var/tmp/to_scwrl_1526770652.seq -o /var/tmp/from_scwrl_1526770652.pdb > /var/tmp/scwrl_1526770652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526770652.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_201215819.pdb -s /var/tmp/to_scwrl_201215819.seq -o /var/tmp/from_scwrl_201215819.pdb > /var/tmp/scwrl_201215819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201215819.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 92 ; scwrl3 -i /var/tmp/to_scwrl_979110211.pdb -s /var/tmp/to_scwrl_979110211.seq -o /var/tmp/from_scwrl_979110211.pdb > /var/tmp/scwrl_979110211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979110211.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 T0300 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_404040549.pdb -s /var/tmp/to_scwrl_404040549.seq -o /var/tmp/from_scwrl_404040549.pdb > /var/tmp/scwrl_404040549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404040549.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 T0300 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1845000168.pdb -s /var/tmp/to_scwrl_1845000168.seq -o /var/tmp/from_scwrl_1845000168.pdb > /var/tmp/scwrl_1845000168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845000168.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 T0300 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_461187738.pdb -s /var/tmp/to_scwrl_461187738.seq -o /var/tmp/from_scwrl_461187738.pdb > /var/tmp/scwrl_461187738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461187738.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 T0300 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1999352154.pdb -s /var/tmp/to_scwrl_1999352154.seq -o /var/tmp/from_scwrl_1999352154.pdb > /var/tmp/scwrl_1999352154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1999352154.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 T0300 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1417005127.pdb -s /var/tmp/to_scwrl_1417005127.seq -o /var/tmp/from_scwrl_1417005127.pdb > /var/tmp/scwrl_1417005127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417005127.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 T0300 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1903141443.pdb -s /var/tmp/to_scwrl_1903141443.seq -o /var/tmp/from_scwrl_1903141443.pdb > /var/tmp/scwrl_1903141443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903141443.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 T0300 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_565012778.pdb -s /var/tmp/to_scwrl_565012778.seq -o /var/tmp/from_scwrl_565012778.pdb > /var/tmp/scwrl_565012778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_565012778.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 T0300 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_69483133.pdb -s /var/tmp/to_scwrl_69483133.seq -o /var/tmp/from_scwrl_69483133.pdb > /var/tmp/scwrl_69483133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_69483133.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 T0300 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_759228728.pdb -s /var/tmp/to_scwrl_759228728.seq -o /var/tmp/from_scwrl_759228728.pdb > /var/tmp/scwrl_759228728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_759228728.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 T0300 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1103409065.pdb -s /var/tmp/to_scwrl_1103409065.seq -o /var/tmp/from_scwrl_1103409065.pdb > /var/tmp/scwrl_1103409065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1103409065.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 T0300 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1677849010.pdb -s /var/tmp/to_scwrl_1677849010.seq -o /var/tmp/from_scwrl_1677849010.pdb > /var/tmp/scwrl_1677849010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1677849010.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1817752385.pdb -s /var/tmp/to_scwrl_1817752385.seq -o /var/tmp/from_scwrl_1817752385.pdb > /var/tmp/scwrl_1817752385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1817752385.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1096361885.pdb -s /var/tmp/to_scwrl_1096361885.seq -o /var/tmp/from_scwrl_1096361885.pdb > /var/tmp/scwrl_1096361885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1096361885.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1997105819.pdb -s /var/tmp/to_scwrl_1997105819.seq -o /var/tmp/from_scwrl_1997105819.pdb > /var/tmp/scwrl_1997105819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997105819.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 # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1850841143.pdb -s /var/tmp/to_scwrl_1850841143.seq -o /var/tmp/from_scwrl_1850841143.pdb > /var/tmp/scwrl_1850841143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1850841143.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1755359419.pdb -s /var/tmp/to_scwrl_1755359419.seq -o /var/tmp/from_scwrl_1755359419.pdb > /var/tmp/scwrl_1755359419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755359419.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1729167052.pdb -s /var/tmp/to_scwrl_1729167052.seq -o /var/tmp/from_scwrl_1729167052.pdb > /var/tmp/scwrl_1729167052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729167052.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_167493156.pdb -s /var/tmp/to_scwrl_167493156.seq -o /var/tmp/from_scwrl_167493156.pdb > /var/tmp/scwrl_167493156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_167493156.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1286350757.pdb -s /var/tmp/to_scwrl_1286350757.seq -o /var/tmp/from_scwrl_1286350757.pdb > /var/tmp/scwrl_1286350757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1286350757.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1621161604.pdb -s /var/tmp/to_scwrl_1621161604.seq -o /var/tmp/from_scwrl_1621161604.pdb > /var/tmp/scwrl_1621161604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621161604.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1556358216.pdb -s /var/tmp/to_scwrl_1556358216.seq -o /var/tmp/from_scwrl_1556358216.pdb > /var/tmp/scwrl_1556358216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1556358216.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_786453765.pdb -s /var/tmp/to_scwrl_786453765.seq -o /var/tmp/from_scwrl_786453765.pdb > /var/tmp/scwrl_786453765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786453765.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1660706486.pdb -s /var/tmp/to_scwrl_1660706486.seq -o /var/tmp/from_scwrl_1660706486.pdb > /var/tmp/scwrl_1660706486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1660706486.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_863984573.pdb -s /var/tmp/to_scwrl_863984573.seq -o /var/tmp/from_scwrl_863984573.pdb > /var/tmp/scwrl_863984573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_863984573.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_721068539.pdb -s /var/tmp/to_scwrl_721068539.seq -o /var/tmp/from_scwrl_721068539.pdb > /var/tmp/scwrl_721068539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_721068539.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_819109458.pdb -s /var/tmp/to_scwrl_819109458.seq -o /var/tmp/from_scwrl_819109458.pdb > /var/tmp/scwrl_819109458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_819109458.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1801201952.pdb -s /var/tmp/to_scwrl_1801201952.seq -o /var/tmp/from_scwrl_1801201952.pdb > /var/tmp/scwrl_1801201952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1801201952.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1046018942.pdb -s /var/tmp/to_scwrl_1046018942.seq -o /var/tmp/from_scwrl_1046018942.pdb > /var/tmp/scwrl_1046018942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1046018942.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 92 ; scwrl3 -i /var/tmp/to_scwrl_198396464.pdb -s /var/tmp/to_scwrl_198396464.seq -o /var/tmp/from_scwrl_198396464.pdb > /var/tmp/scwrl_198396464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_198396464.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 92 ; scwrl3 -i /var/tmp/to_scwrl_2002417771.pdb -s /var/tmp/to_scwrl_2002417771.seq -o /var/tmp/from_scwrl_2002417771.pdb > /var/tmp/scwrl_2002417771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2002417771.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 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2025129153.pdb -s /var/tmp/to_scwrl_2025129153.seq -o /var/tmp/from_scwrl_2025129153.pdb > /var/tmp/scwrl_2025129153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2025129153.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 92 ; scwrl3 -i /var/tmp/to_scwrl_602437013.pdb -s /var/tmp/to_scwrl_602437013.seq -o /var/tmp/from_scwrl_602437013.pdb > /var/tmp/scwrl_602437013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_602437013.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 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1699934292.pdb -s /var/tmp/to_scwrl_1699934292.seq -o /var/tmp/from_scwrl_1699934292.pdb > /var/tmp/scwrl_1699934292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1699934292.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 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_338833244.pdb -s /var/tmp/to_scwrl_338833244.seq -o /var/tmp/from_scwrl_338833244.pdb > /var/tmp/scwrl_338833244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_338833244.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_454305520.pdb -s /var/tmp/to_scwrl_454305520.seq -o /var/tmp/from_scwrl_454305520.pdb > /var/tmp/scwrl_454305520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_454305520.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 92 ; scwrl3 -i /var/tmp/to_scwrl_969455774.pdb -s /var/tmp/to_scwrl_969455774.seq -o /var/tmp/from_scwrl_969455774.pdb > /var/tmp/scwrl_969455774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_969455774.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 92 ; scwrl3 -i /var/tmp/to_scwrl_94491041.pdb -s /var/tmp/to_scwrl_94491041.seq -o /var/tmp/from_scwrl_94491041.pdb > /var/tmp/scwrl_94491041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94491041.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 # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1019318298.pdb -s /var/tmp/to_scwrl_1019318298.seq -o /var/tmp/from_scwrl_1019318298.pdb > /var/tmp/scwrl_1019318298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1019318298.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1038938907.pdb -s /var/tmp/to_scwrl_1038938907.seq -o /var/tmp/from_scwrl_1038938907.pdb > /var/tmp/scwrl_1038938907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038938907.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 T0300 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_853719769.pdb -s /var/tmp/to_scwrl_853719769.seq -o /var/tmp/from_scwrl_853719769.pdb > /var/tmp/scwrl_853719769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853719769.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 T0300 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2122727364.pdb -s /var/tmp/to_scwrl_2122727364.seq -o /var/tmp/from_scwrl_2122727364.pdb > /var/tmp/scwrl_2122727364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122727364.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_569304270.pdb -s /var/tmp/to_scwrl_569304270.seq -o /var/tmp/from_scwrl_569304270.pdb > /var/tmp/scwrl_569304270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_569304270.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 T0300 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_523988507.pdb -s /var/tmp/to_scwrl_523988507.seq -o /var/tmp/from_scwrl_523988507.pdb > /var/tmp/scwrl_523988507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523988507.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 T0300 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 92 ; scwrl3 -i /var/tmp/to_scwrl_1071605603.pdb -s /var/tmp/to_scwrl_1071605603.seq -o /var/tmp/from_scwrl_1071605603.pdb > /var/tmp/scwrl_1071605603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071605603.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 T0300 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 92 ; scwrl3 -i /var/tmp/to_scwrl_418926442.pdb -s /var/tmp/to_scwrl_418926442.seq -o /var/tmp/from_scwrl_418926442.pdb > /var/tmp/scwrl_418926442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_418926442.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 # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_227346003.pdb -s /var/tmp/to_scwrl_227346003.seq -o /var/tmp/from_scwrl_227346003.pdb > /var/tmp/scwrl_227346003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227346003.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 T0300 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 92 ; scwrl3 -i /var/tmp/to_scwrl_679481375.pdb -s /var/tmp/to_scwrl_679481375.seq -o /var/tmp/from_scwrl_679481375.pdb > /var/tmp/scwrl_679481375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_679481375.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 97 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_609847.pdb -s /var/tmp/to_scwrl_609847.seq -o /var/tmp/from_scwrl_609847.pdb > /var/tmp/scwrl_609847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_609847.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_394839159.pdb -s /var/tmp/to_scwrl_394839159.seq -o /var/tmp/from_scwrl_394839159.pdb > /var/tmp/scwrl_394839159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394839159.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 T0300 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1965832132.pdb -s /var/tmp/to_scwrl_1965832132.seq -o /var/tmp/from_scwrl_1965832132.pdb > /var/tmp/scwrl_1965832132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965832132.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 T0300 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1621771451.pdb -s /var/tmp/to_scwrl_1621771451.seq -o /var/tmp/from_scwrl_1621771451.pdb > /var/tmp/scwrl_1621771451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621771451.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 # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1951197375.pdb -s /var/tmp/to_scwrl_1951197375.seq -o /var/tmp/from_scwrl_1951197375.pdb > /var/tmp/scwrl_1951197375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1951197375.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 T0300 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_604802250.pdb -s /var/tmp/to_scwrl_604802250.seq -o /var/tmp/from_scwrl_604802250.pdb > /var/tmp/scwrl_604802250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_604802250.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1134994291.pdb -s /var/tmp/to_scwrl_1134994291.seq -o /var/tmp/from_scwrl_1134994291.pdb > /var/tmp/scwrl_1134994291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134994291.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_667698301.pdb -s /var/tmp/to_scwrl_667698301.seq -o /var/tmp/from_scwrl_667698301.pdb > /var/tmp/scwrl_667698301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667698301.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1325870788.pdb -s /var/tmp/to_scwrl_1325870788.seq -o /var/tmp/from_scwrl_1325870788.pdb > /var/tmp/scwrl_1325870788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325870788.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1954103749.pdb -s /var/tmp/to_scwrl_1954103749.seq -o /var/tmp/from_scwrl_1954103749.pdb > /var/tmp/scwrl_1954103749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1954103749.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 92 ; scwrl3 -i /var/tmp/to_scwrl_321416607.pdb -s /var/tmp/to_scwrl_321416607.seq -o /var/tmp/from_scwrl_321416607.pdb > /var/tmp/scwrl_321416607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_321416607.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 92 ; scwrl3 -i /var/tmp/to_scwrl_224406084.pdb -s /var/tmp/to_scwrl_224406084.seq -o /var/tmp/from_scwrl_224406084.pdb > /var/tmp/scwrl_224406084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224406084.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 5 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_5016566.pdb -s /var/tmp/to_scwrl_5016566.seq -o /var/tmp/from_scwrl_5016566.pdb > /var/tmp/scwrl_5016566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_5016566.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 92 ; scwrl3 -i /var/tmp/to_scwrl_176350731.pdb -s /var/tmp/to_scwrl_176350731.seq -o /var/tmp/from_scwrl_176350731.pdb > /var/tmp/scwrl_176350731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176350731.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 92 ; scwrl3 -i /var/tmp/to_scwrl_102051590.pdb -s /var/tmp/to_scwrl_102051590.seq -o /var/tmp/from_scwrl_102051590.pdb > /var/tmp/scwrl_102051590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102051590.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 5 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_607453579.pdb -s /var/tmp/to_scwrl_607453579.seq -o /var/tmp/from_scwrl_607453579.pdb > /var/tmp/scwrl_607453579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607453579.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 46 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1876285024.pdb -s /var/tmp/to_scwrl_1876285024.seq -o /var/tmp/from_scwrl_1876285024.pdb > /var/tmp/scwrl_1876285024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876285024.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 92 ; scwrl3 -i /var/tmp/to_scwrl_440884834.pdb -s /var/tmp/to_scwrl_440884834.seq -o /var/tmp/from_scwrl_440884834.pdb > /var/tmp/scwrl_440884834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440884834.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1061759100.pdb -s /var/tmp/to_scwrl_1061759100.seq -o /var/tmp/from_scwrl_1061759100.pdb > /var/tmp/scwrl_1061759100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061759100.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_698257151.pdb -s /var/tmp/to_scwrl_698257151.seq -o /var/tmp/from_scwrl_698257151.pdb > /var/tmp/scwrl_698257151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_698257151.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_535375875.pdb -s /var/tmp/to_scwrl_535375875.seq -o /var/tmp/from_scwrl_535375875.pdb > /var/tmp/scwrl_535375875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535375875.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 92 ; scwrl3 -i /var/tmp/to_scwrl_2081077397.pdb -s /var/tmp/to_scwrl_2081077397.seq -o /var/tmp/from_scwrl_2081077397.pdb > /var/tmp/scwrl_2081077397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081077397.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1737196057.pdb -s /var/tmp/to_scwrl_1737196057.seq -o /var/tmp/from_scwrl_1737196057.pdb > /var/tmp/scwrl_1737196057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1737196057.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1389095643.pdb -s /var/tmp/to_scwrl_1389095643.seq -o /var/tmp/from_scwrl_1389095643.pdb > /var/tmp/scwrl_1389095643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1389095643.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 92 ; scwrl3 -i /var/tmp/to_scwrl_2056321114.pdb -s /var/tmp/to_scwrl_2056321114.seq -o /var/tmp/from_scwrl_2056321114.pdb > /var/tmp/scwrl_2056321114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2056321114.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 92 ; scwrl3 -i /var/tmp/to_scwrl_159016680.pdb -s /var/tmp/to_scwrl_159016680.seq -o /var/tmp/from_scwrl_159016680.pdb > /var/tmp/scwrl_159016680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159016680.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1913084151.pdb -s /var/tmp/to_scwrl_1913084151.seq -o /var/tmp/from_scwrl_1913084151.pdb > /var/tmp/scwrl_1913084151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913084151.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_980443070.pdb -s /var/tmp/to_scwrl_980443070.seq -o /var/tmp/from_scwrl_980443070.pdb > /var/tmp/scwrl_980443070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_980443070.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_577943123.pdb -s /var/tmp/to_scwrl_577943123.seq -o /var/tmp/from_scwrl_577943123.pdb > /var/tmp/scwrl_577943123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_577943123.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2140430154.pdb -s /var/tmp/to_scwrl_2140430154.seq -o /var/tmp/from_scwrl_2140430154.pdb > /var/tmp/scwrl_2140430154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2140430154.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1659924445.pdb -s /var/tmp/to_scwrl_1659924445.seq -o /var/tmp/from_scwrl_1659924445.pdb > /var/tmp/scwrl_1659924445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1659924445.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_578552970.pdb -s /var/tmp/to_scwrl_578552970.seq -o /var/tmp/from_scwrl_578552970.pdb > /var/tmp/scwrl_578552970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_578552970.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_387785667.pdb -s /var/tmp/to_scwrl_387785667.seq -o /var/tmp/from_scwrl_387785667.pdb > /var/tmp/scwrl_387785667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_387785667.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1478272930.pdb -s /var/tmp/to_scwrl_1478272930.seq -o /var/tmp/from_scwrl_1478272930.pdb > /var/tmp/scwrl_1478272930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478272930.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_52840775.pdb -s /var/tmp/to_scwrl_52840775.seq -o /var/tmp/from_scwrl_52840775.pdb > /var/tmp/scwrl_52840775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_52840775.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_191499395.pdb -s /var/tmp/to_scwrl_191499395.seq -o /var/tmp/from_scwrl_191499395.pdb > /var/tmp/scwrl_191499395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_191499395.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2083075181.pdb -s /var/tmp/to_scwrl_2083075181.seq -o /var/tmp/from_scwrl_2083075181.pdb > /var/tmp/scwrl_2083075181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083075181.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1187835066.pdb -s /var/tmp/to_scwrl_1187835066.seq -o /var/tmp/from_scwrl_1187835066.pdb > /var/tmp/scwrl_1187835066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187835066.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_859197697.pdb -s /var/tmp/to_scwrl_859197697.seq -o /var/tmp/from_scwrl_859197697.pdb > /var/tmp/scwrl_859197697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_859197697.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1261462322.pdb -s /var/tmp/to_scwrl_1261462322.seq -o /var/tmp/from_scwrl_1261462322.pdb > /var/tmp/scwrl_1261462322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261462322.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_994455169.pdb -s /var/tmp/to_scwrl_994455169.seq -o /var/tmp/from_scwrl_994455169.pdb > /var/tmp/scwrl_994455169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994455169.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1180614303.pdb -s /var/tmp/to_scwrl_1180614303.seq -o /var/tmp/from_scwrl_1180614303.pdb > /var/tmp/scwrl_1180614303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180614303.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1485868406.pdb -s /var/tmp/to_scwrl_1485868406.seq -o /var/tmp/from_scwrl_1485868406.pdb > /var/tmp/scwrl_1485868406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485868406.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 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_999471736.pdb -s /var/tmp/to_scwrl_999471736.seq -o /var/tmp/from_scwrl_999471736.pdb > /var/tmp/scwrl_999471736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_999471736.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 51 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1356965034.pdb -s /var/tmp/to_scwrl_1356965034.seq -o /var/tmp/from_scwrl_1356965034.pdb > /var/tmp/scwrl_1356965034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1356965034.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 # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1587919996.pdb -s /var/tmp/to_scwrl_1587919996.seq -o /var/tmp/from_scwrl_1587919996.pdb > /var/tmp/scwrl_1587919996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1587919996.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1606925314.pdb -s /var/tmp/to_scwrl_1606925314.seq -o /var/tmp/from_scwrl_1606925314.pdb > /var/tmp/scwrl_1606925314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1606925314.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1085766411.pdb -s /var/tmp/to_scwrl_1085766411.seq -o /var/tmp/from_scwrl_1085766411.pdb > /var/tmp/scwrl_1085766411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1085766411.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2028804831.pdb -s /var/tmp/to_scwrl_2028804831.seq -o /var/tmp/from_scwrl_2028804831.pdb > /var/tmp/scwrl_2028804831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028804831.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_521200767.pdb -s /var/tmp/to_scwrl_521200767.seq -o /var/tmp/from_scwrl_521200767.pdb > /var/tmp/scwrl_521200767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_521200767.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 # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1784023562.pdb -s /var/tmp/to_scwrl_1784023562.seq -o /var/tmp/from_scwrl_1784023562.pdb > /var/tmp/scwrl_1784023562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784023562.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 26 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_416697059.pdb -s /var/tmp/to_scwrl_416697059.seq -o /var/tmp/from_scwrl_416697059.pdb > /var/tmp/scwrl_416697059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_416697059.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 23 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_454794518.pdb -s /var/tmp/to_scwrl_454794518.seq -o /var/tmp/from_scwrl_454794518.pdb > /var/tmp/scwrl_454794518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_454794518.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 # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1373735972.pdb -s /var/tmp/to_scwrl_1373735972.seq -o /var/tmp/from_scwrl_1373735972.pdb > /var/tmp/scwrl_1373735972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1373735972.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 # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1805792703.pdb -s /var/tmp/to_scwrl_1805792703.seq -o /var/tmp/from_scwrl_1805792703.pdb > /var/tmp/scwrl_1805792703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1805792703.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_363631985.pdb -s /var/tmp/to_scwrl_363631985.seq -o /var/tmp/from_scwrl_363631985.pdb > /var/tmp/scwrl_363631985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363631985.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1532752653.pdb -s /var/tmp/to_scwrl_1532752653.seq -o /var/tmp/from_scwrl_1532752653.pdb > /var/tmp/scwrl_1532752653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1532752653.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 92 ; scwrl3 -i /var/tmp/to_scwrl_1571393207.pdb -s /var/tmp/to_scwrl_1571393207.seq -o /var/tmp/from_scwrl_1571393207.pdb > /var/tmp/scwrl_1571393207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1571393207.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1344075055.pdb -s /var/tmp/to_scwrl_1344075055.seq -o /var/tmp/from_scwrl_1344075055.pdb > /var/tmp/scwrl_1344075055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344075055.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2110695776.pdb -s /var/tmp/to_scwrl_2110695776.seq -o /var/tmp/from_scwrl_2110695776.pdb > /var/tmp/scwrl_2110695776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110695776.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1564339714.pdb -s /var/tmp/to_scwrl_1564339714.seq -o /var/tmp/from_scwrl_1564339714.pdb > /var/tmp/scwrl_1564339714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1564339714.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_856515854.pdb -s /var/tmp/to_scwrl_856515854.seq -o /var/tmp/from_scwrl_856515854.pdb > /var/tmp/scwrl_856515854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_856515854.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_541765099.pdb -s /var/tmp/to_scwrl_541765099.seq -o /var/tmp/from_scwrl_541765099.pdb > /var/tmp/scwrl_541765099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_541765099.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1952125381.pdb -s /var/tmp/to_scwrl_1952125381.seq -o /var/tmp/from_scwrl_1952125381.pdb > /var/tmp/scwrl_1952125381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1952125381.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_187305137.pdb -s /var/tmp/to_scwrl_187305137.seq -o /var/tmp/from_scwrl_187305137.pdb > /var/tmp/scwrl_187305137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_187305137.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_594605874.pdb -s /var/tmp/to_scwrl_594605874.seq -o /var/tmp/from_scwrl_594605874.pdb > /var/tmp/scwrl_594605874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594605874.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2143624777.pdb -s /var/tmp/to_scwrl_2143624777.seq -o /var/tmp/from_scwrl_2143624777.pdb > /var/tmp/scwrl_2143624777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2143624777.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_122896671.pdb -s /var/tmp/to_scwrl_122896671.seq -o /var/tmp/from_scwrl_122896671.pdb > /var/tmp/scwrl_122896671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122896671.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1782440940.pdb -s /var/tmp/to_scwrl_1782440940.seq -o /var/tmp/from_scwrl_1782440940.pdb > /var/tmp/scwrl_1782440940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782440940.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_855338827.pdb -s /var/tmp/to_scwrl_855338827.seq -o /var/tmp/from_scwrl_855338827.pdb > /var/tmp/scwrl_855338827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_855338827.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1384358994.pdb -s /var/tmp/to_scwrl_1384358994.seq -o /var/tmp/from_scwrl_1384358994.pdb > /var/tmp/scwrl_1384358994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1384358994.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_629412463.pdb -s /var/tmp/to_scwrl_629412463.seq -o /var/tmp/from_scwrl_629412463.pdb > /var/tmp/scwrl_629412463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629412463.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2035953130.pdb -s /var/tmp/to_scwrl_2035953130.seq -o /var/tmp/from_scwrl_2035953130.pdb > /var/tmp/scwrl_2035953130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035953130.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 91 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_722743754.pdb -s /var/tmp/to_scwrl_722743754.seq -o /var/tmp/from_scwrl_722743754.pdb > /var/tmp/scwrl_722743754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_722743754.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 101 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1628884198.pdb -s /var/tmp/to_scwrl_1628884198.seq -o /var/tmp/from_scwrl_1628884198.pdb > /var/tmp/scwrl_1628884198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628884198.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 T0300 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1245434517.pdb -s /var/tmp/to_scwrl_1245434517.seq -o /var/tmp/from_scwrl_1245434517.pdb > /var/tmp/scwrl_1245434517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245434517.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 T0300 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_163180104.pdb -s /var/tmp/to_scwrl_163180104.seq -o /var/tmp/from_scwrl_163180104.pdb > /var/tmp/scwrl_163180104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_163180104.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1088325865.pdb -s /var/tmp/to_scwrl_1088325865.seq -o /var/tmp/from_scwrl_1088325865.pdb > /var/tmp/scwrl_1088325865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1088325865.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_183717283.pdb -s /var/tmp/to_scwrl_183717283.seq -o /var/tmp/from_scwrl_183717283.pdb > /var/tmp/scwrl_183717283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_183717283.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 T0300 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_44501288.pdb -s /var/tmp/to_scwrl_44501288.seq -o /var/tmp/from_scwrl_44501288.pdb > /var/tmp/scwrl_44501288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_44501288.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 T0300 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1609526633.pdb -s /var/tmp/to_scwrl_1609526633.seq -o /var/tmp/from_scwrl_1609526633.pdb > /var/tmp/scwrl_1609526633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1609526633.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1967740845.pdb -s /var/tmp/to_scwrl_1967740845.seq -o /var/tmp/from_scwrl_1967740845.pdb > /var/tmp/scwrl_1967740845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1967740845.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_461198347.pdb -s /var/tmp/to_scwrl_461198347.seq -o /var/tmp/from_scwrl_461198347.pdb > /var/tmp/scwrl_461198347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461198347.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 18 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2064321151.pdb -s /var/tmp/to_scwrl_2064321151.seq -o /var/tmp/from_scwrl_2064321151.pdb > /var/tmp/scwrl_2064321151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2064321151.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1193993171.pdb -s /var/tmp/to_scwrl_1193993171.seq -o /var/tmp/from_scwrl_1193993171.pdb > /var/tmp/scwrl_1193993171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1193993171.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 92 ; scwrl3 -i /var/tmp/to_scwrl_119507403.pdb -s /var/tmp/to_scwrl_119507403.seq -o /var/tmp/from_scwrl_119507403.pdb > /var/tmp/scwrl_119507403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_119507403.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_280469489.pdb -s /var/tmp/to_scwrl_280469489.seq -o /var/tmp/from_scwrl_280469489.pdb > /var/tmp/scwrl_280469489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_280469489.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: (T0300)S3.O and (T0300)K4.N only 0 apart, marking (T0300)K4.N as missing WARNING: atoms too close: (T0300)L27.O and (T0300)K28.N only 0 apart, marking (T0300)K28.N as missing # WARNING: incomplete conformation T0300 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 92 ; scwrl3 -i /var/tmp/to_scwrl_579262178.pdb -s /var/tmp/to_scwrl_579262178.seq -o /var/tmp/from_scwrl_579262178.pdb > /var/tmp/scwrl_579262178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579262178.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: (T0300)K30.O and (T0300)V31.N only 0 apart, marking (T0300)V31.N as missing WARNING: atoms too close: (T0300)E82.O and (T0300)Q83.N only 0 apart, marking (T0300)Q83.N as missing # WARNING: incomplete conformation T0300 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 92 ; scwrl3 -i /var/tmp/to_scwrl_1690900610.pdb -s /var/tmp/to_scwrl_1690900610.seq -o /var/tmp/from_scwrl_1690900610.pdb > /var/tmp/scwrl_1690900610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690900610.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1624544544.pdb -s /var/tmp/to_scwrl_1624544544.seq -o /var/tmp/from_scwrl_1624544544.pdb > /var/tmp/scwrl_1624544544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624544544.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_542474307.pdb -s /var/tmp/to_scwrl_542474307.seq -o /var/tmp/from_scwrl_542474307.pdb > /var/tmp/scwrl_542474307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542474307.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 T0300 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1107756678.pdb -s /var/tmp/to_scwrl_1107756678.seq -o /var/tmp/from_scwrl_1107756678.pdb > /var/tmp/scwrl_1107756678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107756678.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 T0300 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_333576751.pdb -s /var/tmp/to_scwrl_333576751.seq -o /var/tmp/from_scwrl_333576751.pdb > /var/tmp/scwrl_333576751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_333576751.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 T0300 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1084239405.pdb -s /var/tmp/to_scwrl_1084239405.seq -o /var/tmp/from_scwrl_1084239405.pdb > /var/tmp/scwrl_1084239405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1084239405.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 T0300 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_912398413.pdb -s /var/tmp/to_scwrl_912398413.seq -o /var/tmp/from_scwrl_912398413.pdb > /var/tmp/scwrl_912398413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912398413.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_520881889.pdb -s /var/tmp/to_scwrl_520881889.seq -o /var/tmp/from_scwrl_520881889.pdb > /var/tmp/scwrl_520881889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520881889.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 94 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1678845280.pdb -s /var/tmp/to_scwrl_1678845280.seq -o /var/tmp/from_scwrl_1678845280.pdb > /var/tmp/scwrl_1678845280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678845280.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 94 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_908539543.pdb -s /var/tmp/to_scwrl_908539543.seq -o /var/tmp/from_scwrl_908539543.pdb > /var/tmp/scwrl_908539543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_908539543.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_643778560.pdb -s /var/tmp/to_scwrl_643778560.seq -o /var/tmp/from_scwrl_643778560.pdb > /var/tmp/scwrl_643778560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_643778560.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1313802573.pdb -s /var/tmp/to_scwrl_1313802573.seq -o /var/tmp/from_scwrl_1313802573.pdb > /var/tmp/scwrl_1313802573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1313802573.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1763878369.pdb -s /var/tmp/to_scwrl_1763878369.seq -o /var/tmp/from_scwrl_1763878369.pdb > /var/tmp/scwrl_1763878369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763878369.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 T0300 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_2028137554.pdb -s /var/tmp/to_scwrl_2028137554.seq -o /var/tmp/from_scwrl_2028137554.pdb > /var/tmp/scwrl_2028137554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028137554.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 T0300 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1943215036.pdb -s /var/tmp/to_scwrl_1943215036.seq -o /var/tmp/from_scwrl_1943215036.pdb > /var/tmp/scwrl_1943215036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1943215036.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 T0300 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1652347852.pdb -s /var/tmp/to_scwrl_1652347852.seq -o /var/tmp/from_scwrl_1652347852.pdb > /var/tmp/scwrl_1652347852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1652347852.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_603397662.pdb -s /var/tmp/to_scwrl_603397662.seq -o /var/tmp/from_scwrl_603397662.pdb > /var/tmp/scwrl_603397662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_603397662.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 T0300 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_1424615587.pdb -s /var/tmp/to_scwrl_1424615587.seq -o /var/tmp/from_scwrl_1424615587.pdb > /var/tmp/scwrl_1424615587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1424615587.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_750298724.pdb -s /var/tmp/to_scwrl_750298724.seq -o /var/tmp/from_scwrl_750298724.pdb > /var/tmp/scwrl_750298724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_750298724.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 T0300 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_766577766.pdb -s /var/tmp/to_scwrl_766577766.seq -o /var/tmp/from_scwrl_766577766.pdb > /var/tmp/scwrl_766577766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_766577766.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl3 -i /var/tmp/to_scwrl_365457807.pdb -s /var/tmp/to_scwrl_365457807.seq -o /var/tmp/from_scwrl_365457807.pdb > /var/tmp/scwrl_365457807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_365457807.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 30.050 sec, elapsed time= 237.131 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 68.942 real_cost = 128.523 shub_TS1 costs 68.929 real_cost = 130.114 panther2_TS1-scwrl costs 111.234 real_cost = 197.625 panther2_TS1 costs 111.226 real_cost = 221.354 nFOLD_TS5-scwrl costs 67.999 real_cost = 203.717 nFOLD_TS5 costs 67.999 real_cost = 198.815 nFOLD_TS4-scwrl costs 55.178 real_cost = 170.887 nFOLD_TS4 costs 55.115 real_cost = 201.060 nFOLD_TS3-scwrl costs 56.517 real_cost = 177.102 nFOLD_TS3 costs 56.517 real_cost = 168.805 nFOLD_TS2-scwrl costs 78.107 real_cost = 198.121 nFOLD_TS2 costs 78.162 real_cost = 238.792 nFOLD_TS1-scwrl costs 80.032 real_cost = 184.214 nFOLD_TS1 costs 79.995 real_cost = 225.428 mGen-3D_TS1-scwrl costs 76.171 real_cost = 102.445 mGen-3D_TS1 costs 76.224 real_cost = 117.322 keasar-server_TS5-scwrl costs 100.549 real_cost = 104.389 keasar-server_TS5 costs 100.736 real_cost = 125.289 keasar-server_TS4-scwrl costs 87.462 real_cost = 256.801 keasar-server_TS4 costs 87.481 real_cost = 266.607 keasar-server_TS3-scwrl costs 89.450 real_cost = 251.025 keasar-server_TS3 costs 89.437 real_cost = 257.555 keasar-server_TS2-scwrl costs 132.719 real_cost = 256.991 keasar-server_TS2 costs 132.719 real_cost = 271.534 keasar-server_TS1-scwrl costs 126.271 real_cost = 272.097 keasar-server_TS1 costs 126.271 real_cost = 273.816 karypis.srv_TS5-scwrl costs 91.128 real_cost = 211.782 karypis.srv_TS5 costs 91.119 real_cost = 206.426 karypis.srv_TS4-scwrl costs 73.003 real_cost = 205.640 karypis.srv_TS4 costs 72.975 real_cost = 203.239 karypis.srv_TS3-scwrl costs 90.992 real_cost = 217.234 karypis.srv_TS3 costs 91.014 real_cost = 214.479 karypis.srv_TS2-scwrl costs 84.866 real_cost = 166.828 karypis.srv_TS2 costs 84.884 real_cost = 162.988 karypis.srv_TS1-scwrl costs 54.669 real_cost = 244.058 karypis.srv_TS1 costs 54.655 real_cost = 242.654 karypis.srv.4_TS5-scwrl costs 128.611 real_cost = 255.299 karypis.srv.4_TS5 costs 128.611 real_cost = 257.070 karypis.srv.4_TS4-scwrl costs 148.183 real_cost = 223.703 karypis.srv.4_TS4 costs 148.183 real_cost = 215.600 karypis.srv.4_TS3-scwrl costs 160.738 real_cost = 281.930 karypis.srv.4_TS3 costs 160.738 real_cost = 280.329 karypis.srv.4_TS2-scwrl costs 136.905 real_cost = 265.768 karypis.srv.4_TS2 costs 136.905 real_cost = 261.053 karypis.srv.4_TS1-scwrl costs 104.837 real_cost = 210.981 karypis.srv.4_TS1 costs 104.837 real_cost = 210.976 karypis.srv.2_TS5-scwrl costs 83.611 real_cost = 228.806 karypis.srv.2_TS5 costs 83.611 real_cost = 228.806 karypis.srv.2_TS4-scwrl costs 66.967 real_cost = 204.698 karypis.srv.2_TS4 costs 66.967 real_cost = 204.090 karypis.srv.2_TS3-scwrl costs 59.473 real_cost = 270.767 karypis.srv.2_TS3 costs 59.473 real_cost = 270.767 karypis.srv.2_TS2-scwrl costs 77.150 real_cost = 235.493 karypis.srv.2_TS2 costs 77.150 real_cost = 235.493 karypis.srv.2_TS1-scwrl costs 64.366 real_cost = 162.256 karypis.srv.2_TS1 costs 64.366 real_cost = 162.256 forecast-s_AL5-scwrl costs 124.028 real_cost = 291.751 forecast-s_AL5 costs 123.921 real_cost = 314.590 forecast-s_AL4-scwrl costs 107.559 real_cost = 280.745 forecast-s_AL4 costs 107.587 real_cost = 315.868 forecast-s_AL3-scwrl costs 137.082 real_cost = 282.498 forecast-s_AL3 costs 137.082 real_cost = 345.372 forecast-s_AL2-scwrl costs 114.790 real_cost = 326.729 forecast-s_AL2 costs 114.802 real_cost = 364.882 forecast-s_AL1-scwrl costs 128.621 real_cost = 334.668 forecast-s_AL1 costs 128.567 real_cost = 352.533 beautshotbase_TS1-scwrl costs 56.046 real_cost = 119.793 beautshotbase_TS1 costs 56.012 real_cost = 109.274 beautshot_TS1-scwrl costs 73.561 real_cost = 123.651 beautshot_TS1 costs 73.561 real_cost = 121.048 Zhang-Server_TS5-scwrl costs 67.406 real_cost = 61.122 Zhang-Server_TS5 costs 67.406 real_cost = 70.580 Zhang-Server_TS4-scwrl costs 63.155 real_cost = 73.716 Zhang-Server_TS4 costs 63.155 real_cost = 87.358 Zhang-Server_TS3-scwrl costs 69.405 real_cost = 85.708 Zhang-Server_TS3 costs 69.405 real_cost = 85.644 Zhang-Server_TS2-scwrl costs 56.247 real_cost = 52.076 Zhang-Server_TS2 costs 56.247 real_cost = 60.080 Zhang-Server_TS1-scwrl costs 59.687 real_cost = 47.089 Zhang-Server_TS1 costs 59.687 real_cost = 62.942 UNI-EID_sfst_AL5-scwrl costs 69.989 real_cost = 231.408 UNI-EID_sfst_AL5 costs 69.900 real_cost = 243.311 UNI-EID_sfst_AL4-scwrl costs 54.421 real_cost = 132.420 UNI-EID_sfst_AL4 costs 54.404 real_cost = 168.778 UNI-EID_sfst_AL3-scwrl costs 63.469 real_cost = 117.558 UNI-EID_sfst_AL3 costs 63.415 real_cost = 164.287 UNI-EID_sfst_AL2-scwrl costs 66.213 real_cost = 189.697 UNI-EID_sfst_AL2 costs 66.227 real_cost = 221.753 UNI-EID_sfst_AL1-scwrl costs 72.931 real_cost = 227.422 UNI-EID_sfst_AL1 costs 72.844 real_cost = 256.083 UNI-EID_expm_TS1-scwrl costs 81.648 real_cost = 166.416 UNI-EID_expm_TS1 costs 81.659 real_cost = 201.572 UNI-EID_bnmx_TS5-scwrl costs 67.187 real_cost = 204.370 UNI-EID_bnmx_TS5 costs 67.171 real_cost = 246.601 UNI-EID_bnmx_TS4-scwrl costs 56.943 real_cost = 141.405 UNI-EID_bnmx_TS4 costs 57.021 real_cost = 185.014 UNI-EID_bnmx_TS3-scwrl costs 49.982 real_cost = 109.382 UNI-EID_bnmx_TS3 costs 49.815 real_cost = 163.614 UNI-EID_bnmx_TS2-scwrl costs 60.748 real_cost = 163.074 UNI-EID_bnmx_TS2 costs 60.701 real_cost = 210.965 UNI-EID_bnmx_TS1-scwrl costs 58.025 real_cost = 142.358 UNI-EID_bnmx_TS1 costs 57.978 real_cost = 188.104 SPARKS2_TS5-scwrl costs 73.160 real_cost = 205.400 SPARKS2_TS5 costs 73.160 real_cost = 207.960 SPARKS2_TS4-scwrl costs 81.632 real_cost = 100.113 SPARKS2_TS4 costs 81.632 real_cost = 105.379 SPARKS2_TS3-scwrl costs 71.979 real_cost = 191.218 SPARKS2_TS3 costs 71.979 real_cost = 197.616 SPARKS2_TS2-scwrl costs 62.799 real_cost = 98.221 SPARKS2_TS2 costs 62.799 real_cost = 98.181 SPARKS2_TS1-scwrl costs 52.227 real_cost = 125.855 SPARKS2_TS1 costs 52.227 real_cost = 130.108 SP4_TS5-scwrl costs 50.370 real_cost = 93.857 SP4_TS5 costs 50.370 real_cost = 91.460 SP4_TS4-scwrl costs 76.073 real_cost = 202.644 SP4_TS4 costs 76.073 real_cost = 206.494 SP4_TS3-scwrl costs 81.567 real_cost = 78.977 SP4_TS3 costs 81.567 real_cost = 80.963 SP4_TS2-scwrl costs 67.328 real_cost = 198.475 SP4_TS2 costs 67.328 real_cost = 188.897 SP4_TS1-scwrl costs 73.603 real_cost = 150.445 SP4_TS1 costs 73.603 real_cost = 153.581 SP3_TS5-scwrl costs 56.140 real_cost = 97.363 SP3_TS5 costs 56.140 real_cost = 108.052 SP3_TS4-scwrl costs 72.785 real_cost = 173.401 SP3_TS4 costs 72.785 real_cost = 176.976 SP3_TS3-scwrl costs 60.524 real_cost = 203.364 SP3_TS3 costs 60.524 real_cost = 208.837 SP3_TS2-scwrl costs 65.964 real_cost = 195.203 SP3_TS2 costs 65.964 real_cost = 196.052 SP3_TS1-scwrl costs 81.632 real_cost = 100.113 SP3_TS1 costs 81.632 real_cost = 105.379 SAM_T06_server_TS5-scwrl costs 109.062 real_cost = 267.478 SAM_T06_server_TS5 costs 109.060 real_cost = 263.326 SAM_T06_server_TS4-scwrl costs 80.669 real_cost = 227.877 SAM_T06_server_TS4 costs 80.589 real_cost = 217.242 SAM_T06_server_TS3-scwrl costs 110.020 real_cost = 346.059 SAM_T06_server_TS3 costs 110.060 real_cost = 342.427 SAM_T06_server_TS2-scwrl costs 58.601 real_cost = 246.286 SAM_T06_server_TS2 costs 58.575 real_cost = 235.430 SAM_T06_server_TS1-scwrl costs 75.858 real_cost = 174.179 SAM_T06_server_TS1 costs 75.858 real_cost = 175.319 SAM-T99_AL2-scwrl costs 103.352 real_cost = 117.418 SAM-T99_AL2 costs 103.340 real_cost = 97.670 SAM-T99_AL1-scwrl costs 102.701 real_cost = 123.818 SAM-T99_AL1 costs 102.689 real_cost = 96.087 SAM-T02_AL5-scwrl costs 106.948 real_cost = 233.937 SAM-T02_AL5 costs 106.888 real_cost = 284.712 SAM-T02_AL4-scwrl costs 107.572 real_cost = 236.393 SAM-T02_AL4 costs 107.513 real_cost = 284.729 SAM-T02_AL3-scwrl costs 85.662 real_cost = 167.151 SAM-T02_AL3 costs 85.627 real_cost = 148.185 SAM-T02_AL2-scwrl costs 111.286 real_cost = 181.829 SAM-T02_AL2 costs 111.273 real_cost = 290.265 SAM-T02_AL1-scwrl costs 80.927 real_cost = 273.392 SAM-T02_AL1 costs 80.912 real_cost = 279.379 ROKKY_TS5-scwrl costs 39.491 real_cost = 68.577 ROKKY_TS5 costs 39.491 real_cost = 144.882 ROKKY_TS4-scwrl costs 48.089 real_cost = 58.767 ROKKY_TS4 costs 48.089 real_cost = 132.283 ROKKY_TS3-scwrl costs 39.660 real_cost = 66.824 ROKKY_TS3 costs 39.660 real_cost = 133.767 ROKKY_TS2-scwrl costs 49.954 real_cost = 60.042 ROKKY_TS2 costs 49.954 real_cost = 132.570 ROKKY_TS1-scwrl costs 40.275 real_cost = 54.978 ROKKY_TS1 costs 40.275 real_cost = 131.098 ROBETTA_TS5-scwrl costs 41.290 real_cost = 86.939 ROBETTA_TS5 costs 41.290 real_cost = 79.867 ROBETTA_TS4-scwrl costs 42.332 real_cost = 94.508 ROBETTA_TS4 costs 42.332 real_cost = 95.442 ROBETTA_TS3-scwrl costs 24.502 real_cost = 82.930 ROBETTA_TS3 costs 24.502 real_cost = 79.121 ROBETTA_TS2-scwrl costs 22.630 real_cost = 90.012 ROBETTA_TS2 costs 22.630 real_cost = 88.158 ROBETTA_TS1-scwrl costs 38.782 real_cost = 85.651 ROBETTA_TS1 costs 38.782 real_cost = 81.637 RAPTOR_TS5-scwrl costs 77.654 real_cost = 133.164 RAPTOR_TS5 costs 77.654 real_cost = 149.331 RAPTOR_TS4-scwrl costs 60.592 real_cost = 110.631 RAPTOR_TS4 costs 60.592 real_cost = 109.829 RAPTOR_TS3-scwrl costs 62.497 real_cost = 156.526 RAPTOR_TS3 costs 62.497 real_cost = 169.424 RAPTOR_TS2-scwrl costs 78.572 real_cost = 163.244 RAPTOR_TS2 costs 78.572 real_cost = 171.847 RAPTOR_TS1-scwrl costs 68.735 real_cost = 167.885 RAPTOR_TS1 costs 68.735 real_cost = 170.135 RAPTORESS_TS5-scwrl costs 91.682 real_cost = 175.209 RAPTORESS_TS5 costs 91.682 real_cost = 178.892 RAPTORESS_TS4-scwrl costs 56.347 real_cost = 132.557 RAPTORESS_TS4 costs 56.347 real_cost = 139.507 RAPTORESS_TS3-scwrl costs 112.512 real_cost = 188.308 RAPTORESS_TS3 costs 112.512 real_cost = 193.001 RAPTORESS_TS2-scwrl costs 86.978 real_cost = 242.237 RAPTORESS_TS2 costs 86.978 real_cost = 246.154 RAPTORESS_TS1-scwrl costs 78.897 real_cost = 170.837 RAPTORESS_TS1 costs 78.897 real_cost = 177.289 RAPTOR-ACE_TS5-scwrl costs 54.808 real_cost = 122.877 RAPTOR-ACE_TS5 costs 54.808 real_cost = 130.769 RAPTOR-ACE_TS4-scwrl costs 44.795 real_cost = 135.174 RAPTOR-ACE_TS4 costs 44.795 real_cost = 128.701 RAPTOR-ACE_TS3-scwrl costs 56.140 real_cost = 97.363 RAPTOR-ACE_TS3 costs 56.140 real_cost = 108.052 RAPTOR-ACE_TS2-scwrl costs 64.749 real_cost = 104.507 RAPTOR-ACE_TS2 costs 64.749 real_cost = 114.645 RAPTOR-ACE_TS1-scwrl costs 67.724 real_cost = 95.363 RAPTOR-ACE_TS1 costs 67.724 real_cost = 102.317 Pmodeller6_TS5-scwrl costs 39.686 real_cost = 99.105 Pmodeller6_TS5 costs 39.679 real_cost = 96.574 Pmodeller6_TS4-scwrl costs 35.998 real_cost = 122.670 Pmodeller6_TS4 costs 35.998 real_cost = 120.265 Pmodeller6_TS3-scwrl costs 58.596 real_cost = 130.295 Pmodeller6_TS3 costs 58.613 real_cost = 130.188 Pmodeller6_TS2-scwrl costs 48.907 real_cost = 61.485 Pmodeller6_TS2 costs 48.912 real_cost = 58.838 Pmodeller6_TS1-scwrl costs 24.371 real_cost = 5.087 Pmodeller6_TS1 costs 24.371 real_cost = 9.982 Phyre-2_TS5-scwrl costs 89.025 real_cost = 127.222 Phyre-2_TS5 costs 89.025 real_cost = 128.407 Phyre-2_TS4-scwrl costs 81.188 real_cost = 121.019 Phyre-2_TS4 costs 81.188 real_cost = 122.396 Phyre-2_TS3-scwrl costs 80.797 real_cost = 91.364 Phyre-2_TS3 costs 80.797 real_cost = 90.645 Phyre-2_TS2-scwrl costs 75.770 real_cost = 117.262 Phyre-2_TS2 costs 75.770 real_cost = 118.801 Phyre-2_TS1-scwrl costs 78.898 real_cost = 99.432 Phyre-2_TS1 costs 78.898 real_cost = 100.503 Phyre-1_TS1-scwrl costs 103.179 real_cost = 276.644 Phyre-1_TS1 costs 103.166 real_cost = 270.451 Pcons6_TS5-scwrl costs 41.193 real_cost = 93.236 Pcons6_TS5 costs 41.193 real_cost = 93.236 Pcons6_TS4-scwrl costs 59.938 real_cost = 164.601 Pcons6_TS4 costs 59.938 real_cost = 162.975 Pcons6_TS3-scwrl costs 92.465 real_cost = 247.202 Pcons6_TS3 costs 92.451 real_cost = 245.312 Pcons6_TS2-scwrl costs 22.630 real_cost = 90.012 Pcons6_TS2 costs 22.630 real_cost = 88.158 Pcons6_TS1-scwrl costs 45.374 real_cost = 76.912 Pcons6_TS1 costs 45.374 real_cost = 79.842 PROTINFO_TS5-scwrl costs 40.228 real_cost = 133.132 PROTINFO_TS5 costs 40.228 real_cost = 125.691 PROTINFO_TS4-scwrl costs 43.193 real_cost = 134.492 PROTINFO_TS4 costs 43.193 real_cost = 132.307 PROTINFO_TS3-scwrl costs 125.855 real_cost = 262.776 PROTINFO_TS3 costs 125.855 real_cost = 263.854 PROTINFO_TS2-scwrl costs 120.037 real_cost = 267.494 PROTINFO_TS2 costs 120.037 real_cost = 269.311 PROTINFO_TS1-scwrl costs 74.420 real_cost = 69.718 PROTINFO_TS1 costs 74.397 real_cost = 65.025 PROTINFO-AB_TS5-scwrl costs 52.618 real_cost = 142.825 PROTINFO-AB_TS5 costs 52.618 real_cost = 144.862 PROTINFO-AB_TS4-scwrl costs 49.793 real_cost = 184.765 PROTINFO-AB_TS4 costs 49.783 real_cost = 173.859 PROTINFO-AB_TS3-scwrl costs 49.768 real_cost = 157.265 PROTINFO-AB_TS3 costs 49.768 real_cost = 165.161 PROTINFO-AB_TS2-scwrl costs 47.401 real_cost = 133.107 PROTINFO-AB_TS2 costs 47.401 real_cost = 132.427 PROTINFO-AB_TS1-scwrl costs 43.193 real_cost = 134.492 PROTINFO-AB_TS1 costs 43.193 real_cost = 132.307 POMYSL_TS5-scwrl costs 167.419 real_cost = 282.071 POMYSL_TS5 costs 167.419 real_cost = 298.107 POMYSL_TS4-scwrl costs 142.423 real_cost = 239.427 POMYSL_TS4 costs 142.423 real_cost = 261.438 POMYSL_TS3-scwrl costs 131.384 real_cost = 231.819 POMYSL_TS3 costs 131.384 real_cost = 247.295 POMYSL_TS2-scwrl costs 120.976 real_cost = 238.464 POMYSL_TS2 costs 120.976 real_cost = 253.848 POMYSL_TS1-scwrl costs 140.393 real_cost = 247.694 POMYSL_TS1 costs 140.393 real_cost = 254.967 NN_PUT_lab_TS1-scwrl costs 47.945 real_cost = 150.001 NN_PUT_lab_TS1 costs 47.961 real_cost = 143.820 MetaTasser_TS5-scwrl costs 85.237 real_cost = 164.211 MetaTasser_TS5 costs 85.237 real_cost = 173.871 MetaTasser_TS4-scwrl costs 95.127 real_cost = 225.639 MetaTasser_TS4 costs 95.127 real_cost = 217.020 MetaTasser_TS3-scwrl costs 70.264 real_cost = 147.253 MetaTasser_TS3 costs 70.264 real_cost = 153.833 MetaTasser_TS2-scwrl costs 79.726 real_cost = 164.204 MetaTasser_TS2 costs 79.726 real_cost = 164.422 MetaTasser_TS1-scwrl costs 72.750 real_cost = 174.883 MetaTasser_TS1 costs 72.750 real_cost = 167.573 Ma-OPUS-server_TS5-scwrl costs 54.839 real_cost = 144.140 Ma-OPUS-server_TS5 costs 54.839 real_cost = 151.611 Ma-OPUS-server_TS4-scwrl costs 78.282 real_cost = 179.606 Ma-OPUS-server_TS4 costs 78.282 real_cost = 181.823 Ma-OPUS-server_TS3-scwrl costs 70.750 real_cost = 136.144 Ma-OPUS-server_TS3 costs 70.750 real_cost = 142.544 Ma-OPUS-server_TS2-scwrl costs 57.654 real_cost = 119.901 Ma-OPUS-server_TS2 costs 57.654 real_cost = 126.398 Ma-OPUS-server_TS1-scwrl costs 54.977 real_cost = 124.082 Ma-OPUS-server_TS1 costs 54.977 real_cost = 133.936 MIG_FROST_AL1-scwrl costs 139.863 real_cost = 375.684 MIG_FROST_AL1 costs 139.757 real_cost = 342.774 LOOPP_TS5-scwrl costs 65.646 real_cost = 148.572 LOOPP_TS5 costs 65.654 real_cost = 148.256 LOOPP_TS4-scwrl costs 73.880 real_cost = 148.624 LOOPP_TS4 costs 73.888 real_cost = 141.676 LOOPP_TS3-scwrl costs 93.554 real_cost = 215.920 LOOPP_TS3 costs 93.559 real_cost = 209.558 LOOPP_TS2-scwrl costs 49.950 real_cost = 118.758 LOOPP_TS2 costs 49.936 real_cost = 122.296 LOOPP_TS1-scwrl costs 47.945 real_cost = 150.001 LOOPP_TS1 costs 47.961 real_cost = 143.820 Huber-Torda-Server_TS5-scwrl costs 81.287 real_cost = 234.689 Huber-Torda-Server_TS5 costs 81.245 real_cost = 266.958 Huber-Torda-Server_TS4-scwrl costs 95.982 real_cost = 298.140 Huber-Torda-Server_TS4 costs 95.950 real_cost = 313.202 Huber-Torda-Server_TS3-scwrl costs 96.277 real_cost = 260.562 Huber-Torda-Server_TS3 costs 96.237 real_cost = 278.857 Huber-Torda-Server_TS2-scwrl costs 81.423 real_cost = 262.608 Huber-Torda-Server_TS2 costs 81.367 real_cost = 286.916 Huber-Torda-Server_TS1-scwrl costs 118.601 real_cost = 227.282 Huber-Torda-Server_TS1 costs 118.588 real_cost = 274.411 HHpred3_TS1-scwrl costs 111.398 real_cost = 220.401 HHpred3_TS1 costs 111.398 real_cost = 231.961 HHpred2_TS1-scwrl costs 68.957 real_cost = 202.041 HHpred2_TS1 costs 68.957 real_cost = 200.230 HHpred1_TS1-scwrl costs 47.880 real_cost = 162.897 HHpred1_TS1 costs 47.880 real_cost = 158.503 GeneSilicoMetaServer_TS5-scwrl costs 57.974 real_cost = 137.600 GeneSilicoMetaServer_TS5 costs 57.974 real_cost = 150.654 GeneSilicoMetaServer_TS4-scwrl costs 43.762 real_cost = 81.727 GeneSilicoMetaServer_TS4 costs 43.707 real_cost = 88.964 GeneSilicoMetaServer_TS3-scwrl costs 59.356 real_cost = 150.840 GeneSilicoMetaServer_TS3 costs 59.356 real_cost = 148.326 GeneSilicoMetaServer_TS2-scwrl costs 59.714 real_cost = 163.426 GeneSilicoMetaServer_TS2 costs 59.714 real_cost = 166.838 GeneSilicoMetaServer_TS1-scwrl costs 47.131 real_cost = 148.698 GeneSilicoMetaServer_TS1 costs 47.131 real_cost = 157.742 FUNCTION_TS5-scwrl costs 79.859 real_cost = 99.133 FUNCTION_TS5 costs 79.859 real_cost = 106.956 FUNCTION_TS4-scwrl costs 76.941 real_cost = 181.081 FUNCTION_TS4 costs 76.941 real_cost = 177.913 FUNCTION_TS3-scwrl costs 74.975 real_cost = 139.146 FUNCTION_TS3 costs 74.975 real_cost = 144.358 FUNCTION_TS2-scwrl costs 59.413 real_cost = 126.427 FUNCTION_TS2 costs 59.413 real_cost = 127.684 FUNCTION_TS1-scwrl costs 54.485 real_cost = 105.192 FUNCTION_TS1 costs 54.485 real_cost = 117.686 FUGUE_AL5-scwrl costs 113.543 real_cost = 208.053 FUGUE_AL5 costs 113.537 real_cost = 243.230 FUGUE_AL4-scwrl costs 130.211 real_cost = 316.816 FUGUE_AL4 costs 130.211 real_cost = 307.403 FUGUE_AL3-scwrl costs 86.704 real_cost = 205.426 FUGUE_AL3 costs 87.109 real_cost = 254.560 FUGUE_AL2-scwrl costs 98.925 real_cost = 272.401 FUGUE_AL2 costs 99.039 real_cost = 306.369 FUGUE_AL1-scwrl costs 92.174 real_cost = 260.855 FUGUE_AL1 costs 92.174 real_cost = 252.393 FUGMOD_TS5-scwrl costs 112.344 real_cost = 212.388 FUGMOD_TS5 costs 112.338 real_cost = 248.757 FUGMOD_TS4-scwrl costs 128.794 real_cost = 245.021 FUGMOD_TS4 costs 128.794 real_cost = 244.085 FUGMOD_TS3-scwrl costs 94.326 real_cost = 179.265 FUGMOD_TS3 costs 94.248 real_cost = 178.988 FUGMOD_TS2-scwrl costs 96.138 real_cost = 250.660 FUGMOD_TS2 costs 96.123 real_cost = 245.832 FUGMOD_TS1-scwrl costs 89.860 real_cost = 183.578 FUGMOD_TS1 costs 89.860 real_cost = 179.940 FPSOLVER-SERVER_TS5-scwrl costs 131.706 real_cost = 216.317 FPSOLVER-SERVER_TS5 costs 131.706 real_cost = 217.601 FPSOLVER-SERVER_TS4-scwrl costs 109.736 real_cost = 210.104 FPSOLVER-SERVER_TS4 costs 109.736 real_cost = 209.291 FPSOLVER-SERVER_TS3-scwrl costs 97.488 real_cost = 174.651 FPSOLVER-SERVER_TS3 costs 97.488 real_cost = 175.173 FPSOLVER-SERVER_TS2-scwrl costs 102.169 real_cost = 199.661 FPSOLVER-SERVER_TS2 costs 102.169 real_cost = 199.636 FPSOLVER-SERVER_TS1-scwrl costs 77.078 real_cost = 141.668 FPSOLVER-SERVER_TS1 costs 77.078 real_cost = 144.679 FORTE2_AL5-scwrl costs 126.893 real_cost = 289.211 FORTE2_AL5 costs 126.848 real_cost = 342.233 FORTE2_AL4-scwrl costs 116.391 real_cost = 281.288 FORTE2_AL4 costs 116.382 real_cost = 331.955 FORTE2_AL3-scwrl costs 238.616 real_cost = 367.404 FORTE2_AL2-scwrl costs 100.967 real_cost = 265.031 FORTE2_AL2 costs 100.999 real_cost = 320.690 FORTE2_AL1-scwrl costs 99.345 real_cost = 290.422 FORTE2_AL1 costs 99.341 real_cost = 309.803 FORTE1_AL5-scwrl costs 126.893 real_cost = 289.211 FORTE1_AL5 costs 126.848 real_cost = 342.233 FORTE1_AL4-scwrl costs 116.391 real_cost = 281.288 FORTE1_AL4 costs 116.382 real_cost = 331.955 FORTE1_AL3-scwrl costs 238.616 real_cost = 367.404 FORTE1_AL2-scwrl costs 100.967 real_cost = 265.031 FORTE1_AL2 costs 100.999 real_cost = 320.690 FORTE1_AL1-scwrl costs 99.345 real_cost = 290.422 FORTE1_AL1 costs 99.341 real_cost = 309.803 FOLDpro_TS5-scwrl costs 124.753 real_cost = 215.523 FOLDpro_TS5 costs 124.753 real_cost = 225.209 FOLDpro_TS4-scwrl costs 128.474 real_cost = 318.659 FOLDpro_TS4 costs 128.474 real_cost = 318.829 FOLDpro_TS3-scwrl costs 65.878 real_cost = 173.711 FOLDpro_TS3 costs 65.878 real_cost = 175.780 FOLDpro_TS2-scwrl costs 110.331 real_cost = 191.932 FOLDpro_TS2 costs 110.331 real_cost = 221.280 FOLDpro_TS1-scwrl costs 59.711 real_cost = 153.411 FOLDpro_TS1 costs 59.711 real_cost = 166.842 FAMS_TS5-scwrl costs 60.744 real_cost = 187.459 FAMS_TS5 costs 60.744 real_cost = 200.251 FAMS_TS4-scwrl costs 50.237 real_cost = 112.803 FAMS_TS4 costs 50.241 real_cost = 114.758 FAMS_TS3-scwrl costs 50.237 real_cost = 112.803 FAMS_TS3 costs 50.241 real_cost = 114.758 FAMS_TS2-scwrl costs 54.094 real_cost = 102.931 FAMS_TS2 costs 54.098 real_cost = 109.542 FAMS_TS1-scwrl costs 74.975 real_cost = 139.146 FAMS_TS1 costs 74.975 real_cost = 144.358 FAMSD_TS5-scwrl costs 81.489 real_cost = 206.310 FAMSD_TS5 costs 81.483 real_cost = 202.183 FAMSD_TS4-scwrl costs 75.969 real_cost = 212.429 FAMSD_TS4 costs 75.964 real_cost = 208.390 FAMSD_TS3-scwrl costs 81.602 real_cost = 193.980 FAMSD_TS3 costs 81.555 real_cost = 199.142 FAMSD_TS2-scwrl costs 51.825 real_cost = 99.813 FAMSD_TS2 costs 51.830 real_cost = 102.022 FAMSD_TS1-scwrl costs 59.393 real_cost = 108.235 FAMSD_TS1 costs 59.393 real_cost = 114.558 Distill_TS5-scwrl costs 245.015 real_cost = 325.411 Distill_TS4-scwrl costs 246.787 real_cost = 326.084 Distill_TS3-scwrl costs 247.319 real_cost = 323.951 Distill_TS2-scwrl costs 247.023 real_cost = 319.615 Distill_TS1-scwrl costs 245.193 real_cost = 319.133 CaspIta-FOX_TS5-scwrl costs 132.753 real_cost = 250.294 CaspIta-FOX_TS5 costs 132.757 real_cost = 249.595 CaspIta-FOX_TS4-scwrl costs 56.369 real_cost = 166.720 CaspIta-FOX_TS4 costs 56.356 real_cost = 164.058 CaspIta-FOX_TS3-scwrl costs 55.180 real_cost = 158.786 CaspIta-FOX_TS3 costs 55.165 real_cost = 153.008 CaspIta-FOX_TS2-scwrl costs 55.672 real_cost = 124.672 CaspIta-FOX_TS2 costs 55.672 real_cost = 126.834 CaspIta-FOX_TS1-scwrl costs 70.395 real_cost = 112.344 CaspIta-FOX_TS1 costs 70.411 real_cost = 111.082 CIRCLE_TS5-scwrl costs 58.468 real_cost = 96.314 CIRCLE_TS5 costs 58.468 real_cost = 92.208 CIRCLE_TS4-scwrl costs 51.825 real_cost = 99.813 CIRCLE_TS4 costs 51.830 real_cost = 102.022 CIRCLE_TS3-scwrl costs 50.237 real_cost = 112.803 CIRCLE_TS3 costs 50.241 real_cost = 114.758 CIRCLE_TS2-scwrl costs 54.094 real_cost = 102.931 CIRCLE_TS2 costs 54.098 real_cost = 109.542 CIRCLE_TS1-scwrl costs 58.797 real_cost = 95.232 CIRCLE_TS1 costs 58.797 real_cost = 92.801 Bilab-ENABLE_TS1-scwrl costs 95.125 real_cost = 193.457 Bilab-ENABLE_TS1 costs 95.125 real_cost = 193.457 BayesHH_TS1-scwrl costs 72.664 real_cost = 169.457 BayesHH_TS1 costs 72.664 real_cost = 149.733 ABIpro_TS5-scwrl costs 39.883 real_cost = 114.825 ABIpro_TS5 costs 39.883 real_cost = 114.825 ABIpro_TS4-scwrl costs 46.561 real_cost = 134.989 ABIpro_TS4 costs 46.561 real_cost = 134.989 ABIpro_TS3-scwrl costs 44.958 real_cost = 146.150 ABIpro_TS3 costs 44.958 real_cost = 146.150 ABIpro_TS2-scwrl costs 35.960 real_cost = 111.759 ABIpro_TS2 costs 35.960 real_cost = 111.759 ABIpro_TS1-scwrl costs 57.684 real_cost = 175.892 ABIpro_TS1 costs 57.684 real_cost = 177.849 3Dpro_TS5-scwrl costs 84.357 real_cost = 224.940 3Dpro_TS5 costs 84.357 real_cost = 219.498 3Dpro_TS4-scwrl costs 114.048 real_cost = 230.366 3Dpro_TS4 costs 114.048 real_cost = 227.046 3Dpro_TS3-scwrl costs 35.960 real_cost = 111.759 3Dpro_TS3 costs 35.960 real_cost = 111.759 3Dpro_TS2-scwrl costs 57.684 real_cost = 175.892 3Dpro_TS2 costs 57.684 real_cost = 177.849 3Dpro_TS1-scwrl costs 90.943 real_cost = 219.231 3Dpro_TS1 costs 90.943 real_cost = 220.226 3D-JIGSAW_TS1-scwrl costs 97.058 real_cost = 234.118 3D-JIGSAW_TS1 costs 97.015 real_cost = 243.557 3D-JIGSAW_RECOM_TS1-scwrl costs 97.058 real_cost = 234.118 3D-JIGSAW_RECOM_TS1 costs 97.015 real_cost = 243.557 3D-JIGSAW_POPULUS_TS5-scwrl costs 97.058 real_cost = 234.118 3D-JIGSAW_POPULUS_TS5 costs 97.015 real_cost = 243.557 3D-JIGSAW_POPULUS_TS4-scwrl costs 97.058 real_cost = 234.118 3D-JIGSAW_POPULUS_TS4 costs 97.015 real_cost = 243.557 3D-JIGSAW_POPULUS_TS3-scwrl costs 97.058 real_cost = 234.118 3D-JIGSAW_POPULUS_TS3 costs 97.015 real_cost = 243.557 3D-JIGSAW_POPULUS_TS2-scwrl costs 97.058 real_cost = 234.118 3D-JIGSAW_POPULUS_TS2 costs 97.015 real_cost = 243.557 3D-JIGSAW_POPULUS_TS1-scwrl costs 97.058 real_cost = 234.118 3D-JIGSAW_POPULUS_TS1 costs 97.015 real_cost = 243.557 dimer//dimer.rot5.renum costs 58.026 real_cost = 89.442 dimer//dimer.flipped180.renum costs 57.495 real_cost = 68.655 dimer//dimer-try3-1jm0A costs 56.754 real_cost = 73.810 dimer//dimer-rotateNterm2 costs 57.495 real_cost = 68.655 dimer//dimer-rotate5fixed costs 58.026 real_cost = 90.212 dimer//dimer-rotate5 costs 60.983 real_cost = 101.376 dimer//try8-opt2.unpack costs 55.632 real_cost = 64.598 dimer//try8-opt2.repack-nonPC costs 55.632 real_cost = 62.417 dimer//try8-opt2 costs 55.632 real_cost = 64.598 dimer//try8-opt2.gromacs0 costs 54.606 real_cost = 61.596 dimer//try8-opt1 costs 55.557 real_cost = 65.413 dimer//try8-opt1-scwrl costs 55.557 real_cost = 63.767 dimer//try7-opt2.unpack costs 55.313 real_cost = 77.830 dimer//try7-opt2.repack-nonPC costs 55.313 real_cost = 71.474 dimer//try7-opt2 costs 55.313 real_cost = 77.830 dimer//try7-opt2.gromacs0 costs 53.177 real_cost = 82.866 dimer//try7-opt1 costs 55.313 real_cost = 77.155 dimer//try7-opt1-scwrl costs 55.313 real_cost = 73.933 dimer//try6-opt2.unpack costs 57.108 real_cost = 72.053 dimer//try6-opt2.repack-nonPC costs 57.108 real_cost = 70.049 dimer//try6-opt2 costs 57.108 real_cost = 72.053 dimer//try6-opt2.gromacs0 costs 58.658 real_cost = 70.919 dimer//try6-opt1 costs 61.635 real_cost = 74.465 dimer//try6-opt1-scwrl costs 61.635 real_cost = 69.811 dimer//try5-opt2.unpack costs 54.838 real_cost = 77.927 dimer//try5-opt2.repack-nonPC costs 54.838 real_cost = 72.544 dimer//try5-opt2 costs 54.838 real_cost = 77.927 dimer//try5-opt2.gromacs0 costs 53.523 real_cost = 84.167 dimer//try5-opt1 costs 54.838 real_cost = 76.269 dimer//try5-opt1-scwrl costs 54.838 real_cost = 72.839 dimer//try4-opt2.unpack costs 62.317 real_cost = 69.690 dimer//try4-opt2.repack-nonPC costs 62.317 real_cost = 68.258 dimer//try4-opt2 costs 62.317 real_cost = 69.690 dimer//try4-opt2.gromacs0 costs 61.861 real_cost = 72.175 dimer//try4-opt1 costs 62.615 real_cost = 71.030 dimer//try4-opt1-scwrl costs 62.615 real_cost = 66.484 dimer//try3-opt2.unpack costs 58.465 real_cost = 70.835 dimer//try3-opt2.repack-nonPC costs 58.465 real_cost = 64.974 dimer//try3-opt2 costs 58.465 real_cost = 70.835 dimer//try3-opt2.gromacs0 costs 55.890 real_cost = 69.727 dimer//try3-opt1 costs 60.039 real_cost = 67.883 dimer//try3-opt1-scwrl costs 60.039 real_cost = 62.064 dimer//try2-opt2.unpack costs 61.635 real_cost = 73.754 dimer//try2-opt2.repack-nonPC costs 61.635 real_cost = 79.308 dimer//try2-opt2 costs 61.635 real_cost = 73.754 dimer//try2-opt2.gromacs0 costs 56.969 real_cost = 76.170 dimer//try2-opt1 costs 61.421 real_cost = 72.528 dimer//try2-opt1-scwrl costs 61.421 real_cost = 68.386 dimer//try1-opt2.unpack costs 55.313 real_cost = 76.952 dimer//try1-opt2.repack-nonPC costs 55.313 real_cost = 77.499 dimer//try1-opt2 costs 55.313 real_cost = 76.952 dimer//try1-opt2.gromacs0 costs 53.177 real_cost = 74.892 dimer//try1-opt1 costs 55.940 real_cost = 74.495 dimer//try1-opt1-scwrl costs 55.940 real_cost = 72.220 rotateNterm2FromTry3.renum.pdb.gz costs 58.308 real_cost = 68.723 rotateFromTry3attempt3.renum.pdb.gz costs 67.931 real_cost = 70.906 rotateFromTry3attempt3.fix.pdb.gz costs 67.931 real_cost = 71.146 rotateFromTry3attempt2.renum.pdb.gz costs 64.548 real_cost = 54.310 rotateFromTry3attempt1.renum.pdb.gz costs 60.255 real_cost = 70.341 rotateFromTry2attempt2.renum.pdb.gz costs 60.731 real_cost = 88.998 rotateFromTry2attempt1.renum.pdb.gz costs 60.008 real_cost = 80.189 rotate5monomerFixed2.renum.pdb.gz costs 58.026 real_cost = 89.747 rotate5monomer.renum.pdb.gz costs 60.983 real_cost = 101.364 georgesuggestion.renum.pdb.gz costs 70.428 real_cost = 62.156 T0300.try9-opt2.repack-nonPC.pdb.gz costs 43.231 real_cost = 61.338 T0300.try9-opt2.pdb.gz costs 43.231 real_cost = 66.567 T0300.try9-opt2.gromacs0.pdb.gz costs 36.152 real_cost = 65.333 T0300.try9-opt1.pdb.gz costs 39.811 real_cost = 69.694 T0300.try9-opt1-scwrl.pdb.gz costs 39.811 real_cost = 66.537 T0300.try8-opt2.repack-nonPC.pdb.gz costs 42.324 real_cost = 54.735 T0300.try8-opt2.pdb.gz costs 42.324 real_cost = 55.773 T0300.try8-opt2.gromacs0.pdb.gz costs 36.355 real_cost = 59.592 T0300.try8-opt1.pdb.gz costs 42.758 real_cost = 60.420 T0300.try8-opt1-scwrl.pdb.gz costs 42.758 real_cost = 60.503 T0300.try7-opt2.repack-nonPC.pdb.gz costs 54.472 real_cost = 72.422 T0300.try7-opt2.pdb.gz costs 54.472 real_cost = 71.406 T0300.try7-opt2.gromacs0.pdb.gz costs 46.027 real_cost = 71.949 T0300.try7-opt1.pdb.gz costs 50.308 real_cost = 70.814 T0300.try7-opt1-scwrl.pdb.gz costs 50.308 real_cost = 71.233 T0300.try6-opt2.repack-nonPC.pdb.gz costs 59.769 real_cost = 65.363 T0300.try6-opt2.pdb.gz costs 59.769 real_cost = 69.702 T0300.try6-opt2.gromacs0.pdb.gz costs 55.120 real_cost = 70.966 T0300.try6-opt1.pdb.gz costs 61.878 real_cost = 67.694 T0300.try6-opt1-scwrl.pdb.gz costs 61.878 real_cost = 61.680 T0300.try5-opt2.repack-nonPC.pdb.gz costs 64.411 real_cost = 73.373 T0300.try5-opt2.pdb.gz costs 64.411 real_cost = 79.630 T0300.try5-opt2.gromacs0.pdb.gz costs 55.727 real_cost = 82.574 T0300.try5-opt1.pdb.gz costs 62.699 real_cost = 74.759 T0300.try5-opt1-scwrl.pdb.gz costs 62.699 real_cost = 69.336 T0300.try4-opt2.repack-nonPC.pdb.gz costs 55.417 real_cost = 65.569 T0300.try4-opt2.pdb.gz costs 55.417 real_cost = 67.186 T0300.try4-opt2.gromacs0.pdb.gz costs 49.920 real_cost = 66.265 T0300.try4-opt1.pdb.gz costs 53.301 real_cost = 61.250 T0300.try4-opt1-scwrl.pdb.gz costs 53.301 real_cost = 64.552 T0300.try3-opt2.repack-nonPC.pdb.gz costs 56.754 real_cost = 73.470 T0300.try3-opt2.pdb.gz costs 56.754 real_cost = 73.911 T0300.try3-opt2.gromacs0.pdb.gz costs 49.751 real_cost = 76.316 T0300.try3-opt1.pdb.gz costs 52.082 real_cost = 75.277 T0300.try3-opt1-scwrl.pdb.gz costs 52.082 real_cost = 73.915 T0300.try2-opt2.repack-nonPC.pdb.gz costs 50.510 real_cost = 105.456 T0300.try2-opt2.pdb.gz costs 50.510 real_cost = 107.577 T0300.try2-opt2.gromacs0.pdb.gz costs 44.765 real_cost = 109.693 T0300.try2-opt1.pdb.gz costs 48.091 real_cost = 110.704 T0300.try2-opt1-scwrl.pdb.gz costs 48.091 real_cost = 110.276 T0300.try16-opt2.repack-nonPC.pdb.gz costs 61.290 real_cost = 67.164 T0300.try16-opt2.pdb.gz costs 61.290 real_cost = 70.550 T0300.try16-opt2.gromacs0.pdb.gz costs 51.617 real_cost = 73.933 T0300.try16-opt1.pdb.gz costs 57.206 real_cost = 72.184 T0300.try16-opt1-scwrl.pdb.gz costs 57.206 real_cost = 66.157 T0300.try15-opt2.repack-nonPC.pdb.gz costs 64.550 real_cost = 70.846 T0300.try15-opt2.pdb.gz costs 64.550 real_cost = 75.191 T0300.try15-opt2.gromacs0.pdb.gz costs 54.889 real_cost = 77.485 T0300.try15-opt1.pdb.gz costs 66.178 real_cost = 68.566 T0300.try15-opt1-scwrl.pdb.gz costs 66.178 real_cost = 67.276 T0300.try14-opt2.pdb.gz costs 80.026 real_cost = 120.996 T0300.try14-opt2.gromacs0.pdb.gz costs 66.293 real_cost = 119.410 T0300.try14-opt1.pdb.gz costs 70.295 real_cost = 115.125 T0300.try14-opt1-scwrl.pdb.gz costs 70.295 real_cost = 112.117 T0300.try13-opt2.repack-nonPC.pdb.gz costs 60.794 real_cost = 91.566 T0300.try13-opt2.pdb.gz costs 60.794 real_cost = 98.153 T0300.try13-opt2.gromacs0.pdb.gz costs 50.829 real_cost = 95.406 T0300.try13-opt1.pdb.gz costs 59.858 real_cost = 96.127 T0300.try13-opt1-scwrl.pdb.gz costs 59.858 real_cost = 95.844 T0300.try12-opt2.repack-nonPC.pdb.gz costs 67.778 real_cost = 79.421 T0300.try12-opt2.pdb.gz costs 67.778 real_cost = 84.827 T0300.try12-opt2.gromacs0.pdb.gz costs 59.500 real_cost = 86.706 T0300.try12-opt1.pdb.gz costs 61.920 real_cost = 90.271 T0300.try12-opt1-scwrl.pdb.gz costs 61.920 real_cost = 87.272 T0300.try11-opt2.repack-nonPC.pdb.gz costs 54.335 real_cost = 111.641 T0300.try11-opt2.pdb.gz costs 54.335 real_cost = 112.695 T0300.try11-opt2.gromacs0.pdb.gz costs 50.920 real_cost = 109.802 T0300.try11-opt1.pdb.gz costs 51.778 real_cost = 111.068 T0300.try11-opt1-scwrl.pdb.gz costs 51.778 real_cost = 111.445 T0300.try10-opt2.repack-nonPC.pdb.gz costs 53.049 real_cost = 53.011 T0300.try10-opt2.pdb.gz costs 53.049 real_cost = 53.508 T0300.try10-opt2.gromacs0.pdb.gz costs 46.357 real_cost = 53.679 T0300.try10-opt1.pdb.gz costs 51.211 real_cost = 54.446 T0300.try10-opt1-scwrl.pdb.gz costs 51.211 real_cost = 58.006 T0300.try1-opt2.repack-nonPC.pdb.gz costs 84.638 real_cost = 144.298 T0300.try1-opt2.pdb.gz costs 84.638 real_cost = 146.616 T0300.try1-opt2.gromacs0.pdb.gz costs 71.116 real_cost = 149.079 T0300.try1-opt1.pdb.gz costs 80.513 real_cost = 145.452 T0300.try1-opt1-scwrl.pdb.gz costs 80.513 real_cost = 143.549 ../model5.ts-submitted costs 64.550 real_cost = 75.210 ../model4.ts-submitted costs 55.632 real_cost = 64.341 ../model3.ts-submitted costs 62.317 real_cost = 69.241 ../model2.ts-submitted costs 50.510 real_cost = 107.580 ../model1.ts-submitted costs 56.754 real_cost = 73.835 align5 costs 51.566 real_cost = 139.335 align4 costs 107.312 real_cost = 121.574 align3 costs 82.059 real_cost = 212.925 align2 costs 69.855 real_cost = 215.991 align1 costs 75.066 real_cost = 241.142 T0300.try1-opt2.pdb costs 84.638 real_cost = 146.616 model5-scwrl costs 64.550 real_cost = 69.220 model5.ts-submitted costs 64.550 real_cost = 75.210 model4-scwrl costs 55.632 real_cost = 62.545 model4.ts-submitted costs 55.632 real_cost = 64.341 model3-scwrl costs 62.317 real_cost = 66.018 model3.ts-submitted costs 62.317 real_cost = 69.241 model2-scwrl costs 50.510 real_cost = 106.846 model2.ts-submitted costs 50.510 real_cost = 107.580 model1-scwrl costs 56.754 real_cost = 72.834 model1.ts-submitted costs 56.754 real_cost = 73.906 2h3rA costs 25.902 real_cost = -877.600 # command:CPU_time= 201.092 sec, elapsed time= 408.388 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/T0300'