make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0366' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0366.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/T0366.} ;\ 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/T0366/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2iwoA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183294238 # 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= 9.409 sec, elapsed time= 19.393 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= 9.525 sec, elapsed time= 19.800 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0366 numbered 1 through 106 Created new target T0366 from T0366.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2iwoA expands to /projects/compbio/data/pdb/2iwo.pdb.gz 2iwoA: Read 92 residues and 644 atoms. # WARNING: incomplete conformation T0366 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= 13.618 sec, elapsed time= 28.725 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 89 # 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 = -86.413 # GDT_score(maxd=8.000,maxw=2.900)= -89.918 # GDT_score(maxd=8.000,maxw=3.200)= -87.296 # GDT_score(maxd=8.000,maxw=3.500)= -84.222 # GDT_score(maxd=10.000,maxw=3.800)= -85.702 # GDT_score(maxd=10.000,maxw=4.000)= -83.645 # GDT_score(maxd=10.000,maxw=4.200)= -81.487 # GDT_score(maxd=12.000,maxw=4.300)= -84.275 # GDT_score(maxd=12.000,maxw=4.500)= -82.183 # GDT_score(maxd=12.000,maxw=4.700)= -80.017 # GDT_score(maxd=14.000,maxw=5.200)= -77.974 # GDT_score(maxd=14.000,maxw=5.500)= -74.803 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0366.model1-real.pdb for output Error: Couldn't open file T0366.model1-real.pdb for output superimposing iter= 0 total_weight= 1011 rmsd (weighted)= 2.70609 (unweighted)= 21.6099 superimposing iter= 1 total_weight= 3478.78 rmsd (weighted)= 0.999586 (unweighted)= 21.5193 superimposing iter= 2 total_weight= 1277.14 rmsd (weighted)= 0.692453 (unweighted)= 21.5141 superimposing iter= 3 total_weight= 804.736 rmsd (weighted)= 0.613255 (unweighted)= 21.5163 superimposing iter= 4 total_weight= 691.762 rmsd (weighted)= 0.587853 (unweighted)= 21.5179 superimposing iter= 5 total_weight= 661.094 rmsd (weighted)= 0.577073 (unweighted)= 21.5185 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N THR A 1 24.965 18.668 9.246 1.00 0.00 ATOM 2 CA THR A 1 25.336 17.832 10.430 1.00 0.00 ATOM 3 CB THR A 1 26.128 16.594 9.920 1.00 0.00 ATOM 4 CG2 THR A 1 26.627 15.803 11.106 1.00 0.00 ATOM 5 OG1 THR A 1 25.235 15.790 9.148 1.00 0.00 ATOM 6 O THR A 1 26.045 18.588 12.603 1.00 0.00 ATOM 7 C THR A 1 26.141 18.715 11.387 1.00 0.00 ATOM 8 N GLU A 2 26.918 19.626 10.801 1.00 0.00 ATOM 9 CA GLU A 2 27.936 20.375 11.526 1.00 0.00 ATOM 10 CB GLU A 2 28.825 21.162 10.542 1.00 0.00 ATOM 11 CG GLU A 2 29.981 21.914 11.176 1.00 0.00 ATOM 12 CD GLU A 2 30.940 22.543 10.177 1.00 0.00 ATOM 13 OE1 GLU A 2 30.697 22.452 8.943 1.00 0.00 ATOM 14 OE2 GLU A 2 31.946 23.128 10.645 1.00 0.00 ATOM 15 O GLU A 2 26.370 22.097 12.116 1.00 0.00 ATOM 16 C GLU A 2 27.368 21.450 12.446 1.00 0.00 ATOM 17 N ASN A 3 28.007 21.559 13.678 1.00 0.00 ATOM 18 CA ASN A 3 27.589 22.589 14.619 1.00 0.00 ATOM 19 CB ASN A 3 28.416 22.529 15.878 1.00 0.00 ATOM 20 CG ASN A 3 28.037 23.611 16.873 1.00 0.00 ATOM 21 ND2 ASN A 3 26.873 23.464 17.494 1.00 0.00 ATOM 22 OD1 ASN A 3 28.777 24.575 17.068 1.00 0.00 ATOM 23 O ASN A 3 26.837 24.811 14.074 1.00 0.00 ATOM 24 C ASN A 3 27.729 23.971 13.968 1.00 0.00 ATOM 25 N LEU A 4 28.819 24.198 13.259 1.00 0.00 ATOM 26 CA LEU A 4 28.998 25.504 12.631 1.00 0.00 ATOM 27 CB LEU A 4 30.417 25.624 12.087 1.00 0.00 ATOM 28 CG LEU A 4 31.476 25.717 13.168 1.00 0.00 ATOM 29 CD1 LEU A 4 32.858 25.716 12.523 1.00 0.00 ATOM 30 CD2 LEU A 4 31.307 26.953 14.077 1.00 0.00 ATOM 31 O LEU A 4 27.468 26.797 11.346 1.00 0.00 ATOM 32 C LEU A 4 27.975 25.698 11.542 1.00 0.00 ATOM 33 N TYR A 5 27.682 24.651 10.763 1.00 0.00 ATOM 34 CA TYR A 5 26.698 24.785 9.707 1.00 0.00 ATOM 35 CB TYR A 5 26.623 23.539 8.795 1.00 0.00 ATOM 36 CG TYR A 5 25.631 23.656 7.636 1.00 0.00 ATOM 37 CD1 TYR A 5 26.066 24.009 6.369 1.00 0.00 ATOM 38 CD2 TYR A 5 24.300 23.373 7.809 1.00 0.00 ATOM 39 CE1 TYR A 5 25.207 24.120 5.331 1.00 0.00 ATOM 40 CE2 TYR A 5 23.415 23.485 6.782 1.00 0.00 ATOM 41 CZ TYR A 5 23.879 23.845 5.538 1.00 0.00 ATOM 42 OH TYR A 5 23.027 23.983 4.489 1.00 0.00 ATOM 43 O TYR A 5 24.673 26.090 9.845 1.00 0.00 ATOM 44 C TYR A 5 25.319 25.114 10.278 1.00 0.00 ATOM 45 N PHE A 6 24.817 24.332 11.214 1.00 0.00 ATOM 46 CA PHE A 6 23.489 24.614 11.738 1.00 0.00 ATOM 47 CB PHE A 6 22.974 23.459 12.589 1.00 0.00 ATOM 48 CG PHE A 6 22.625 22.230 11.771 1.00 0.00 ATOM 49 CD1 PHE A 6 21.676 22.305 10.784 1.00 0.00 ATOM 50 CD2 PHE A 6 23.226 20.987 12.014 1.00 0.00 ATOM 51 CE1 PHE A 6 21.377 21.215 9.993 1.00 0.00 ATOM 52 CE2 PHE A 6 22.925 19.897 11.213 1.00 0.00 ATOM 53 CZ PHE A 6 21.983 20.000 10.214 1.00 0.00 ATOM 54 O PHE A 6 22.497 26.657 12.449 1.00 0.00 ATOM 55 C PHE A 6 23.514 25.967 12.475 1.00 0.00 ATOM 56 N GLN A 7 24.627 26.326 13.108 1.00 0.00 ATOM 57 CA GLN A 7 24.743 27.648 13.715 1.00 0.00 ATOM 58 CB GLN A 7 26.079 27.812 14.398 1.00 0.00 ATOM 59 CG GLN A 7 26.294 29.195 14.939 1.00 0.00 ATOM 60 CD GLN A 7 27.588 29.294 15.680 1.00 0.00 ATOM 61 OE1 GLN A 7 28.685 29.180 15.068 1.00 0.00 ATOM 62 NE2 GLN A 7 27.501 29.572 16.978 1.00 0.00 ATOM 63 O GLN A 7 24.004 29.819 12.921 1.00 0.00 ATOM 64 C GLN A 7 24.595 28.762 12.680 1.00 0.00 ATOM 65 N SER A 8 25.287 28.527 11.476 1.00 0.00 ATOM 66 CA SER A 8 25.171 29.557 10.431 1.00 0.00 ATOM 67 CB SER A 8 26.067 29.180 9.249 1.00 0.00 ATOM 68 OG SER A 8 27.429 29.139 9.633 1.00 0.00 ATOM 69 O SER A 8 23.387 30.708 9.322 1.00 0.00 ATOM 70 C SER A 8 23.733 29.709 9.945 1.00 0.00 ATOM 71 N MET A 9 22.960 28.622 10.089 1.00 0.00 ATOM 72 CA MET A 9 21.552 28.582 9.658 1.00 0.00 ATOM 73 CB MET A 9 21.069 27.134 9.541 1.00 0.00 ATOM 74 CG MET A 9 21.782 26.325 8.471 1.00 0.00 ATOM 75 SD MET A 9 21.511 26.975 6.811 1.00 0.00 ATOM 76 CE MET A 9 19.797 26.526 6.548 1.00 0.00 ATOM 77 O MET A 9 20.678 29.041 11.845 1.00 0.00 ATOM 78 C MET A 9 20.637 29.309 10.640 1.00 0.00 ATOM 79 N GLY A 10 19.865 30.250 10.137 1.00 0.00 ATOM 80 CA GLY A 10 19.024 31.087 10.992 1.00 0.00 ATOM 81 O GLY A 10 17.224 29.663 10.291 1.00 0.00 ATOM 82 C GLY A 10 17.581 30.604 10.999 1.00 0.00 ATOM 83 N LEU A 11 16.751 31.258 11.812 1.00 0.00 ATOM 84 CA LEU A 11 15.353 30.900 11.919 1.00 0.00 ATOM 85 CB LEU A 11 14.681 31.685 13.048 1.00 0.00 ATOM 86 CG LEU A 11 15.150 31.368 14.468 1.00 0.00 ATOM 87 CD1 LEU A 11 14.498 32.305 15.473 1.00 0.00 ATOM 88 CD2 LEU A 11 14.788 29.939 14.846 1.00 0.00 ATOM 89 O LEU A 11 15.020 32.303 10.002 1.00 0.00 ATOM 90 C LEU A 11 14.733 31.246 10.572 1.00 0.00 ATOM 91 N ARG A 12 13.915 30.362 10.048 1.00 0.00 ATOM 92 CA ARG A 12 13.258 30.569 8.763 1.00 0.00 ATOM 93 CB ARG A 12 13.928 29.619 7.666 1.00 0.00 ATOM 94 CG ARG A 12 15.402 30.089 7.548 1.00 0.00 ATOM 95 CD ARG A 12 16.209 29.367 6.455 1.00 0.00 ATOM 96 NE ARG A 12 16.293 27.915 6.764 1.00 0.00 ATOM 97 CZ ARG A 12 16.381 27.003 5.828 1.00 0.00 ATOM 98 NH1 ARG A 12 16.484 27.334 4.579 1.00 0.00 ATOM 99 NH2 ARG A 12 16.355 25.750 6.166 1.00 0.00 ATOM 100 O ARG A 12 11.254 29.634 9.708 1.00 0.00 ATOM 101 C ARG A 12 11.749 30.369 8.849 1.00 0.00 ATOM 102 N THR A 13 11.017 31.064 7.986 1.00 0.00 ATOM 103 CA THR A 13 9.566 30.968 7.971 1.00 0.00 ATOM 104 CB THR A 13 8.916 32.360 8.088 1.00 0.00 ATOM 105 CG2 THR A 13 7.399 32.243 8.069 1.00 0.00 ATOM 106 OG1 THR A 13 9.318 32.977 9.316 1.00 0.00 ATOM 107 O THR A 13 9.502 30.796 5.577 1.00 0.00 ATOM 108 C THR A 13 9.142 30.323 6.652 1.00 0.00 ATOM 109 N VAL A 14 8.367 29.251 6.742 1.00 0.00 ATOM 110 CA VAL A 14 7.899 28.549 5.553 1.00 0.00 ATOM 111 CB VAL A 14 8.626 27.203 5.388 1.00 0.00 ATOM 112 CG1 VAL A 14 8.128 26.475 4.148 1.00 0.00 ATOM 113 CG2 VAL A 14 10.124 27.421 5.245 1.00 0.00 ATOM 114 O VAL A 14 5.920 27.752 6.640 1.00 0.00 ATOM 115 C VAL A 14 6.407 28.266 5.633 1.00 0.00 ATOM 116 N GLU A 15 5.682 28.603 4.573 1.00 0.00 ATOM 117 CA GLU A 15 4.252 28.347 4.544 1.00 0.00 ATOM 118 CB GLU A 15 3.508 29.515 3.891 1.00 0.00 ATOM 119 CG GLU A 15 2.004 29.324 3.808 1.00 0.00 ATOM 120 CD GLU A 15 1.305 30.495 3.143 1.00 0.00 ATOM 121 OE1 GLU A 15 2.000 31.454 2.746 1.00 0.00 ATOM 122 OE2 GLU A 15 0.063 30.452 3.020 1.00 0.00 ATOM 123 O GLU A 15 4.464 26.924 2.618 1.00 0.00 ATOM 124 C GLU A 15 3.988 27.076 3.746 1.00 0.00 ATOM 125 N MET A 16 3.331 26.119 4.389 1.00 0.00 ATOM 126 CA MET A 16 2.997 24.850 3.758 1.00 0.00 ATOM 127 CB MET A 16 3.333 23.679 4.685 1.00 0.00 ATOM 128 CG MET A 16 4.817 23.527 4.980 1.00 0.00 ATOM 129 SD MET A 16 5.175 22.104 6.028 1.00 0.00 ATOM 130 CE MET A 16 4.687 22.734 7.632 1.00 0.00 ATOM 131 O MET A 16 0.711 25.338 4.258 1.00 0.00 ATOM 132 C MET A 16 1.509 24.865 3.452 1.00 0.00 ATOM 133 N LYS A 17 1.145 24.491 2.229 1.00 0.00 ATOM 134 CA LYS A 17 -0.258 24.463 1.849 1.00 0.00 ATOM 135 CB LYS A 17 -0.516 25.353 0.631 1.00 0.00 ATOM 136 CG LYS A 17 -0.255 26.830 0.875 1.00 0.00 ATOM 137 CD LYS A 17 -0.566 27.658 -0.363 1.00 0.00 ATOM 138 CE LYS A 17 -0.342 29.139 -0.107 1.00 0.00 ATOM 139 NZ LYS A 17 -0.763 29.973 -1.267 1.00 0.00 ATOM 140 O LYS A 17 -0.204 22.449 0.504 1.00 0.00 ATOM 141 C LYS A 17 -0.631 23.022 1.528 1.00 0.00 ATOM 142 N LYS A 18 -1.411 22.439 2.523 1.00 0.00 ATOM 143 CA LYS A 18 -1.787 21.045 2.402 1.00 0.00 ATOM 144 CB LYS A 18 -1.379 20.208 3.615 1.00 0.00 ATOM 145 CG LYS A 18 -1.945 20.709 4.934 1.00 0.00 ATOM 146 CD LYS A 18 -1.532 19.812 6.087 1.00 0.00 ATOM 147 CE LYS A 18 -2.117 20.300 7.403 1.00 0.00 ATOM 148 NZ LYS A 18 -1.704 19.442 8.548 1.00 0.00 ATOM 149 O LYS A 18 -4.107 21.463 2.916 1.00 0.00 ATOM 150 C LYS A 18 -3.275 20.766 2.323 1.00 0.00 ATOM 151 N GLY A 19 -3.634 19.745 1.519 1.00 0.00 ATOM 152 CA GLY A 19 -4.992 19.285 1.370 1.00 0.00 ATOM 153 O GLY A 19 -4.246 17.478 2.759 1.00 0.00 ATOM 154 C GLY A 19 -5.209 18.042 2.238 1.00 0.00 ATOM 155 N PRO A 20 -6.460 17.617 2.397 1.00 0.00 ATOM 156 CA PRO A 20 -6.758 16.436 3.211 1.00 0.00 ATOM 157 CB PRO A 20 -8.283 16.322 3.153 1.00 0.00 ATOM 158 CG PRO A 20 -8.756 17.725 2.968 1.00 0.00 ATOM 159 CD PRO A 20 -7.786 18.369 2.020 1.00 0.00 ATOM 160 O PRO A 20 -5.878 14.214 3.382 1.00 0.00 ATOM 161 C PRO A 20 -6.250 15.138 2.623 1.00 0.00 ATOM 162 N THR A 21 -6.161 15.002 1.321 1.00 0.00 ATOM 163 CA THR A 21 -5.669 13.765 0.724 1.00 0.00 ATOM 164 CB THR A 21 -5.899 13.811 -0.815 1.00 0.00 ATOM 165 CG2 THR A 21 -7.390 13.643 -1.163 1.00 0.00 ATOM 166 OG1 THR A 21 -5.437 15.082 -1.313 1.00 0.00 ATOM 167 O THR A 21 -3.685 12.413 0.765 1.00 0.00 ATOM 168 C THR A 21 -4.175 13.529 0.955 1.00 0.00 ATOM 169 N ASP A 22 -3.374 14.588 1.365 1.00 0.00 ATOM 170 CA ASP A 22 -1.944 14.428 1.561 1.00 0.00 ATOM 171 CB ASP A 22 -1.134 15.119 0.376 1.00 0.00 ATOM 172 CG ASP A 22 -1.219 16.622 0.376 1.00 0.00 ATOM 173 OD1 ASP A 22 -2.045 17.170 1.163 1.00 0.00 ATOM 174 OD2 ASP A 22 -0.490 17.322 -0.399 1.00 0.00 ATOM 175 O ASP A 22 -0.259 14.221 3.233 1.00 0.00 ATOM 176 C ASP A 22 -1.296 14.783 2.884 1.00 0.00 ATOM 177 N SER A 23 -1.884 15.718 3.622 1.00 0.00 ATOM 178 CA SER A 23 -1.292 16.108 4.889 1.00 0.00 ATOM 179 CB SER A 23 -0.849 14.827 5.668 1.00 0.00 ATOM 180 OG SER A 23 -0.629 15.115 7.039 1.00 0.00 ATOM 181 O SER A 23 0.431 17.193 3.628 1.00 0.00 ATOM 182 C SER A 23 0.032 16.841 4.743 1.00 0.00 ATOM 183 N LEU A 24 0.713 17.063 5.863 1.00 0.00 ATOM 184 CA LEU A 24 1.991 17.769 5.874 1.00 0.00 ATOM 185 CB LEU A 24 2.487 17.958 7.310 1.00 0.00 ATOM 186 CG LEU A 24 1.700 18.945 8.175 1.00 0.00 ATOM 187 CD1 LEU A 24 2.184 18.899 9.616 1.00 0.00 ATOM 188 CD2 LEU A 24 1.870 20.364 7.662 1.00 0.00 ATOM 189 O LEU A 24 3.858 17.638 4.369 1.00 0.00 ATOM 190 C LEU A 24 3.068 17.029 5.091 1.00 0.00 ATOM 191 N GLY A 25 3.102 15.710 5.229 1.00 0.00 ATOM 192 CA GLY A 25 4.093 14.919 4.520 1.00 0.00 ATOM 193 O GLY A 25 6.488 14.861 4.562 1.00 0.00 ATOM 194 C GLY A 25 5.439 14.844 5.214 1.00 0.00 ATOM 195 N ILE A 26 5.417 14.754 6.543 1.00 0.00 ATOM 196 CA ILE A 26 6.646 14.663 7.325 1.00 0.00 ATOM 197 CB ILE A 26 7.016 16.041 7.905 1.00 0.00 ATOM 198 CG1 ILE A 26 5.900 16.550 8.819 1.00 0.00 ATOM 199 CG2 ILE A 26 7.223 17.051 6.788 1.00 0.00 ATOM 200 CD1 ILE A 26 6.269 17.792 9.600 1.00 0.00 ATOM 201 O ILE A 26 5.409 13.467 8.999 1.00 0.00 ATOM 202 C ILE A 26 6.517 13.766 8.553 1.00 0.00 ATOM 203 N SER A 27 7.653 13.350 9.084 1.00 0.00 ATOM 204 CA SER A 27 7.684 12.493 10.265 1.00 0.00 ATOM 205 CB SER A 27 8.372 11.163 9.956 1.00 0.00 ATOM 206 OG SER A 27 7.649 10.425 8.988 1.00 0.00 ATOM 207 O SER A 27 9.351 14.112 10.862 1.00 0.00 ATOM 208 C SER A 27 8.480 13.335 11.257 1.00 0.00 ATOM 209 N ILE A 28 8.223 13.188 12.560 1.00 0.00 ATOM 210 CA ILE A 28 8.925 13.980 13.558 1.00 0.00 ATOM 211 CB ILE A 28 8.003 14.961 14.306 1.00 0.00 ATOM 212 CG1 ILE A 28 6.869 14.205 14.996 1.00 0.00 ATOM 213 CG2 ILE A 28 7.396 15.964 13.337 1.00 0.00 ATOM 214 CD1 ILE A 28 6.034 15.066 15.920 1.00 0.00 ATOM 215 O ILE A 28 9.181 11.882 14.725 1.00 0.00 ATOM 216 C ILE A 28 9.584 13.046 14.565 1.00 0.00 ATOM 217 N ALA A 29 10.634 13.551 15.207 1.00 0.00 ATOM 218 CA ALA A 29 11.258 12.936 16.372 1.00 0.00 ATOM 219 CB ALA A 29 12.596 12.306 16.019 1.00 0.00 ATOM 220 O ALA A 29 11.388 15.244 17.038 1.00 0.00 ATOM 221 C ALA A 29 11.491 14.067 17.387 1.00 0.00 ATOM 222 N GLY A 30 11.714 13.691 18.639 1.00 0.00 ATOM 223 CA GLY A 30 12.046 14.680 19.710 1.00 0.00 ATOM 224 O GLY A 30 9.865 14.168 20.620 1.00 0.00 ATOM 225 C GLY A 30 10.869 14.924 20.631 1.00 0.00 ATOM 226 N GLY A 31 10.961 15.976 21.432 1.00 0.00 ATOM 227 CA GLY A 31 9.921 16.218 22.410 1.00 0.00 ATOM 228 O GLY A 31 11.508 15.519 24.054 1.00 0.00 ATOM 229 C GLY A 31 10.501 16.190 23.806 1.00 0.00 ATOM 230 N VAL A 32 9.864 17.001 24.700 1.00 0.00 ATOM 231 CA VAL A 32 10.227 16.931 26.102 1.00 0.00 ATOM 232 CB VAL A 32 9.347 17.869 26.950 1.00 0.00 ATOM 233 CG1 VAL A 32 9.658 17.699 28.429 1.00 0.00 ATOM 234 CG2 VAL A 32 9.597 19.321 26.569 1.00 0.00 ATOM 235 O VAL A 32 8.908 14.982 26.588 1.00 0.00 ATOM 236 C VAL A 32 10.011 15.527 26.675 1.00 0.00 ATOM 237 N GLY A 33 11.096 14.931 27.263 1.00 0.00 ATOM 238 CA GLY A 33 10.989 13.596 27.829 1.00 0.00 ATOM 239 O GLY A 33 10.596 11.355 27.065 1.00 0.00 ATOM 240 C GLY A 33 10.979 12.499 26.774 1.00 0.00 ATOM 241 N SER A 34 11.429 12.833 25.551 1.00 0.00 ATOM 242 CA SER A 34 11.524 11.868 24.424 1.00 0.00 ATOM 243 CB SER A 34 11.862 12.597 23.120 1.00 0.00 ATOM 244 OG SER A 34 13.177 13.124 23.157 1.00 0.00 ATOM 245 O SER A 34 13.484 11.062 25.549 1.00 0.00 ATOM 246 C SER A 34 12.623 10.842 24.697 1.00 0.00 ATOM 247 N PRO A 35 12.610 9.682 23.990 1.00 0.00 ATOM 248 CA PRO A 35 13.644 8.663 24.205 1.00 0.00 ATOM 249 CB PRO A 35 13.338 7.642 23.113 1.00 0.00 ATOM 250 CG PRO A 35 11.846 7.710 23.022 1.00 0.00 ATOM 251 CD PRO A 35 11.594 9.202 23.035 1.00 0.00 ATOM 252 O PRO A 35 15.963 8.692 24.649 1.00 0.00 ATOM 253 C PRO A 35 15.059 9.214 24.032 1.00 0.00 ATOM 254 N LEU A 36 15.255 10.236 23.195 1.00 0.00 ATOM 255 CA LEU A 36 16.577 10.827 22.968 1.00 0.00 ATOM 256 CB LEU A 36 16.634 11.487 21.589 1.00 0.00 ATOM 257 CG LEU A 36 16.427 10.565 20.388 1.00 0.00 ATOM 258 CD1 LEU A 36 16.407 11.364 19.092 1.00 0.00 ATOM 259 CD2 LEU A 36 17.547 9.539 20.297 1.00 0.00 ATOM 260 O LEU A 36 18.114 12.352 23.990 1.00 0.00 ATOM 261 C LEU A 36 16.976 11.891 24.012 1.00 0.00 ATOM 262 N GLY A 37 16.049 12.268 24.898 1.00 0.00 ATOM 263 CA GLY A 37 16.287 13.339 25.892 1.00 0.00 ATOM 264 O GLY A 37 14.135 14.139 25.203 1.00 0.00 ATOM 265 C GLY A 37 15.201 14.391 25.774 1.00 0.00 ATOM 266 N ASP A 38 15.396 15.545 26.356 1.00 0.00 ATOM 267 CA ASP A 38 14.486 16.682 26.252 1.00 0.00 ATOM 268 CB ASP A 38 14.536 17.488 27.556 1.00 0.00 ATOM 269 CG ASP A 38 13.492 18.600 27.621 1.00 0.00 ATOM 270 OD1 ASP A 38 12.810 18.894 26.620 1.00 0.00 ATOM 271 OD2 ASP A 38 13.361 19.210 28.700 1.00 0.00 ATOM 272 O ASP A 38 15.900 18.192 25.006 1.00 0.00 ATOM 273 C ASP A 38 14.926 17.434 24.984 1.00 0.00 ATOM 274 N VAL A 39 14.197 17.182 23.935 1.00 0.00 ATOM 275 CA VAL A 39 14.484 17.799 22.635 1.00 0.00 ATOM 276 CB VAL A 39 15.017 16.736 21.634 1.00 0.00 ATOM 277 CG1 VAL A 39 16.279 16.002 22.083 1.00 0.00 ATOM 278 CG2 VAL A 39 13.904 15.708 21.416 1.00 0.00 ATOM 279 O VAL A 39 12.188 18.341 22.407 1.00 0.00 ATOM 280 C VAL A 39 13.342 18.617 22.098 1.00 0.00 ATOM 281 N PRO A 40 13.659 19.606 21.264 1.00 0.00 ATOM 282 CA PRO A 40 12.662 20.246 20.432 1.00 0.00 ATOM 283 CB PRO A 40 13.382 21.287 19.671 1.00 0.00 ATOM 284 CG PRO A 40 14.418 21.741 20.653 1.00 0.00 ATOM 285 CD PRO A 40 14.897 20.449 21.256 1.00 0.00 ATOM 286 O PRO A 40 12.713 18.144 19.216 1.00 0.00 ATOM 287 C PRO A 40 12.165 19.269 19.362 1.00 0.00 ATOM 288 N ILE A 41 11.142 19.691 18.639 1.00 0.00 ATOM 289 CA ILE A 41 10.537 18.838 17.595 1.00 0.00 ATOM 290 CB ILE A 41 9.045 19.187 17.426 1.00 0.00 ATOM 291 CG1 ILE A 41 8.327 19.118 18.774 1.00 0.00 ATOM 292 CG2 ILE A 41 8.374 18.214 16.469 1.00 0.00 ATOM 293 CD1 ILE A 41 8.393 17.756 19.431 1.00 0.00 ATOM 294 O ILE A 41 11.534 20.139 15.858 1.00 0.00 ATOM 295 C ILE A 41 11.333 19.020 16.311 1.00 0.00 ATOM 296 N PHE A 42 11.829 17.909 15.719 1.00 0.00 ATOM 297 CA PHE A 42 12.608 17.980 14.497 1.00 0.00 ATOM 298 CB PHE A 42 13.958 17.289 14.644 1.00 0.00 ATOM 299 CG PHE A 42 14.944 18.066 15.467 1.00 0.00 ATOM 300 CD1 PHE A 42 14.842 18.109 16.855 1.00 0.00 ATOM 301 CD2 PHE A 42 15.999 18.733 14.851 1.00 0.00 ATOM 302 CE1 PHE A 42 15.783 18.802 17.618 1.00 0.00 ATOM 303 CE2 PHE A 42 16.944 19.425 15.605 1.00 0.00 ATOM 304 CZ PHE A 42 16.836 19.459 16.986 1.00 0.00 ATOM 305 O PHE A 42 11.467 16.052 13.701 1.00 0.00 ATOM 306 C PHE A 42 11.931 17.154 13.436 1.00 0.00 ATOM 307 N ILE A 43 11.918 17.674 12.218 1.00 0.00 ATOM 308 CA ILE A 43 11.572 16.859 11.054 1.00 0.00 ATOM 309 CB ILE A 43 11.245 17.783 9.837 1.00 0.00 ATOM 310 CG1 ILE A 43 10.035 18.676 10.144 1.00 0.00 ATOM 311 CG2 ILE A 43 11.004 16.951 8.589 1.00 0.00 ATOM 312 CD1 ILE A 43 9.737 19.724 9.066 1.00 0.00 ATOM 313 O ILE A 43 13.841 16.111 10.790 1.00 0.00 ATOM 314 C ILE A 43 12.641 15.817 10.808 1.00 0.00 ATOM 315 N ALA A 44 12.206 14.505 10.666 1.00 0.00 ATOM 316 CA ALA A 44 13.096 13.397 10.486 1.00 0.00 ATOM 317 CB ALA A 44 12.662 12.288 11.524 1.00 0.00 ATOM 318 O ALA A 44 14.090 12.548 8.413 1.00 0.00 ATOM 319 C ALA A 44 13.057 12.854 9.033 1.00 0.00 ATOM 320 N MET A 45 11.927 12.786 8.442 1.00 0.00 ATOM 321 CA MET A 45 11.816 12.312 7.074 1.00 0.00 ATOM 322 CB MET A 45 11.260 10.918 7.098 1.00 0.00 ATOM 323 CG MET A 45 11.145 10.304 5.728 1.00 0.00 ATOM 324 SD MET A 45 10.495 8.632 5.866 1.00 0.00 ATOM 325 CE MET A 45 11.836 7.806 6.648 1.00 0.00 ATOM 326 O MET A 45 9.751 13.510 7.028 1.00 0.00 ATOM 327 C MET A 45 10.766 13.181 6.409 1.00 0.00 ATOM 328 N MET A 46 10.965 13.497 5.124 1.00 0.00 ATOM 329 CA MET A 46 9.987 14.211 4.307 1.00 0.00 ATOM 330 CB MET A 46 10.567 15.417 3.597 1.00 0.00 ATOM 331 CG MET A 46 11.244 16.387 4.536 1.00 0.00 ATOM 332 SD MET A 46 11.824 17.876 3.728 1.00 0.00 ATOM 333 CE MET A 46 10.242 18.728 3.488 1.00 0.00 ATOM 334 O MET A 46 10.370 12.809 2.404 1.00 0.00 ATOM 335 C MET A 46 9.543 13.335 3.146 1.00 0.00 ATOM 336 N HIS A 47 8.242 13.213 3.026 1.00 0.00 ATOM 337 CA HIS A 47 7.670 12.409 1.950 1.00 0.00 ATOM 338 CB HIS A 47 6.206 12.020 2.165 1.00 0.00 ATOM 339 CG HIS A 47 5.943 11.251 3.416 1.00 0.00 ATOM 340 CD2 HIS A 47 6.772 10.612 4.276 1.00 0.00 ATOM 341 ND1 HIS A 47 4.671 11.002 3.862 1.00 0.00 ATOM 342 CE1 HIS A 47 4.720 10.290 4.969 1.00 0.00 ATOM 343 NE2 HIS A 47 5.985 10.029 5.239 1.00 0.00 ATOM 344 O HIS A 47 7.411 14.294 0.475 1.00 0.00 ATOM 345 C HIS A 47 7.757 13.118 0.608 1.00 0.00 ATOM 346 N PRO A 48 8.231 12.373 -0.380 1.00 0.00 ATOM 347 CA PRO A 48 8.397 12.872 -1.735 1.00 0.00 ATOM 348 CB PRO A 48 8.941 11.668 -2.506 1.00 0.00 ATOM 349 CG PRO A 48 9.692 10.878 -1.486 1.00 0.00 ATOM 350 CD PRO A 48 8.894 10.976 -0.217 1.00 0.00 ATOM 351 O PRO A 48 6.013 12.644 -2.145 1.00 0.00 ATOM 352 C PRO A 48 7.037 13.337 -2.326 1.00 0.00 ATOM 353 N THR A 49 7.105 14.490 -2.931 1.00 0.00 ATOM 354 CA THR A 49 5.918 15.116 -3.540 1.00 0.00 ATOM 355 CB THR A 49 5.495 14.255 -4.736 1.00 0.00 ATOM 356 CG2 THR A 49 6.622 14.202 -5.758 1.00 0.00 ATOM 357 OG1 THR A 49 5.189 12.926 -4.296 1.00 0.00 ATOM 358 O THR A 49 3.602 15.570 -3.107 1.00 0.00 ATOM 359 C THR A 49 4.744 15.497 -2.644 1.00 0.00 ATOM 360 N GLY A 50 4.959 15.720 -1.396 1.00 0.00 ATOM 361 CA GLY A 50 3.898 16.087 -0.478 1.00 0.00 ATOM 362 O GLY A 50 4.804 18.249 -0.895 1.00 0.00 ATOM 363 C GLY A 50 4.029 17.581 -0.224 1.00 0.00 ATOM 364 N VAL A 51 3.320 18.092 0.805 1.00 0.00 ATOM 365 CA VAL A 51 3.363 19.535 1.079 1.00 0.00 ATOM 366 CB VAL A 51 2.335 19.907 2.155 1.00 0.00 ATOM 367 CG1 VAL A 51 2.438 21.345 2.630 1.00 0.00 ATOM 368 CG2 VAL A 51 0.908 19.640 1.650 1.00 0.00 ATOM 369 O VAL A 51 5.198 21.044 1.009 1.00 0.00 ATOM 370 C VAL A 51 4.722 20.029 1.512 1.00 0.00 ATOM 371 N ALA A 52 5.379 19.335 2.460 1.00 0.00 ATOM 372 CA ALA A 52 6.662 19.773 2.980 1.00 0.00 ATOM 373 CB ALA A 52 7.147 18.840 4.081 1.00 0.00 ATOM 374 O ALA A 52 8.408 20.791 1.727 1.00 0.00 ATOM 375 C ALA A 52 7.683 19.806 1.862 1.00 0.00 ATOM 376 N ALA A 53 7.744 18.733 1.081 1.00 0.00 ATOM 377 CA ALA A 53 8.706 18.617 -0.015 1.00 0.00 ATOM 378 CB ALA A 53 8.556 17.269 -0.706 1.00 0.00 ATOM 379 O ALA A 53 9.404 20.217 -1.668 1.00 0.00 ATOM 380 C ALA A 53 8.464 19.710 -1.054 1.00 0.00 ATOM 381 N GLN A 54 7.198 20.066 -1.256 1.00 0.00 ATOM 382 CA GLN A 54 6.848 21.089 -2.236 1.00 0.00 ATOM 383 CB GLN A 54 5.330 21.260 -2.315 1.00 0.00 ATOM 384 CG GLN A 54 4.608 20.089 -2.963 1.00 0.00 ATOM 385 CD GLN A 54 3.103 20.275 -2.990 1.00 0.00 ATOM 386 OE1 GLN A 54 2.589 21.309 -2.562 1.00 0.00 ATOM 387 NE2 GLN A 54 2.394 19.274 -3.495 1.00 0.00 ATOM 388 O GLN A 54 7.747 23.225 -2.833 1.00 0.00 ATOM 389 C GLN A 54 7.466 22.452 -1.923 1.00 0.00 ATOM 390 N THR A 55 7.695 22.749 -0.646 1.00 0.00 ATOM 391 CA THR A 55 8.284 24.042 -0.288 1.00 0.00 ATOM 392 CB THR A 55 8.310 24.295 1.223 1.00 0.00 ATOM 393 CG2 THR A 55 6.912 24.230 1.804 1.00 0.00 ATOM 394 OG1 THR A 55 9.294 23.484 1.879 1.00 0.00 ATOM 395 O THR A 55 10.184 25.366 -0.909 1.00 0.00 ATOM 396 C THR A 55 9.729 24.230 -0.743 1.00 0.00 ATOM 397 N GLN A 56 10.438 23.123 -0.966 1.00 0.00 ATOM 398 CA GLN A 56 11.852 23.182 -1.349 1.00 0.00 ATOM 399 CB GLN A 56 11.735 23.353 -3.018 1.00 0.00 ATOM 400 CG GLN A 56 10.434 22.896 -3.582 1.00 0.00 ATOM 401 CD GLN A 56 10.015 23.738 -4.742 1.00 0.00 ATOM 402 OE1 GLN A 56 9.499 24.859 -4.587 1.00 0.00 ATOM 403 NE2 GLN A 56 10.254 23.213 -5.943 1.00 0.00 ATOM 404 O GLN A 56 13.609 24.662 -0.627 1.00 0.00 ATOM 405 C GLN A 56 12.590 24.037 -0.320 1.00 0.00 ATOM 406 N LYS A 57 12.099 24.031 0.917 1.00 0.00 ATOM 407 CA LYS A 57 12.706 24.842 1.963 1.00 0.00 ATOM 408 CB LYS A 57 11.873 26.107 2.176 1.00 0.00 ATOM 409 CG LYS A 57 11.844 27.039 0.976 1.00 0.00 ATOM 410 CD LYS A 57 11.002 28.275 1.255 1.00 0.00 ATOM 411 CE LYS A 57 10.833 29.122 0.006 1.00 0.00 ATOM 412 NZ LYS A 57 10.075 30.372 0.281 1.00 0.00 ATOM 413 O LYS A 57 13.876 24.393 4.008 1.00 0.00 ATOM 414 C LYS A 57 13.021 24.018 3.200 1.00 0.00 ATOM 415 N LEU A 58 12.206 23.047 3.440 1.00 0.00 ATOM 416 CA LEU A 58 12.372 22.255 4.643 1.00 0.00 ATOM 417 CB LEU A 58 10.995 21.727 5.056 1.00 0.00 ATOM 418 CG LEU A 58 9.908 22.779 5.283 1.00 0.00 ATOM 419 CD1 LEU A 58 8.570 22.114 5.565 1.00 0.00 ATOM 420 CD2 LEU A 58 10.258 23.666 6.467 1.00 0.00 ATOM 421 O LEU A 58 13.627 20.692 3.189 1.00 0.00 ATOM 422 C LEU A 58 13.401 21.151 4.349 1.00 0.00 ATOM 423 N ARG A 59 14.025 20.679 5.508 1.00 0.00 ATOM 424 CA ARG A 59 15.003 19.642 5.478 1.00 0.00 ATOM 425 CB ARG A 59 16.428 20.223 5.360 1.00 0.00 ATOM 426 CG ARG A 59 16.658 21.128 4.165 1.00 0.00 ATOM 427 CD ARG A 59 18.154 21.366 3.972 1.00 0.00 ATOM 428 NE ARG A 59 18.448 22.251 2.850 1.00 0.00 ATOM 429 CZ ARG A 59 18.271 23.569 2.866 1.00 0.00 ATOM 430 NH1 ARG A 59 17.796 24.164 3.955 1.00 0.00 ATOM 431 NH2 ARG A 59 18.579 24.290 1.794 1.00 0.00 ATOM 432 O ARG A 59 14.638 19.254 7.810 1.00 0.00 ATOM 433 C ARG A 59 15.017 18.795 6.737 1.00 0.00 ATOM 434 N VAL A 60 15.389 17.531 6.574 1.00 0.00 ATOM 435 CA VAL A 60 15.506 16.620 7.701 1.00 0.00 ATOM 436 CB VAL A 60 16.011 15.247 7.257 1.00 0.00 ATOM 437 CG1 VAL A 60 16.292 14.389 8.493 1.00 0.00 ATOM 438 CG2 VAL A 60 14.941 14.563 6.373 1.00 0.00 ATOM 439 O VAL A 60 17.609 17.717 8.076 1.00 0.00 ATOM 440 C VAL A 60 16.589 17.238 8.579 1.00 0.00 ATOM 441 N GLY A 61 16.357 17.248 9.886 1.00 0.00 ATOM 442 CA GLY A 61 17.318 17.829 10.804 1.00 0.00 ATOM 443 O GLY A 61 17.345 19.695 12.306 1.00 0.00 ATOM 444 C GLY A 61 16.861 19.199 11.289 1.00 0.00 ATOM 445 N ASP A 62 15.876 19.787 10.593 1.00 0.00 ATOM 446 CA ASP A 62 15.360 21.097 11.007 1.00 0.00 ATOM 447 CB ASP A 62 14.451 21.661 9.913 1.00 0.00 ATOM 448 CG ASP A 62 15.223 22.099 8.684 1.00 0.00 ATOM 449 OD1 ASP A 62 16.465 22.182 8.760 1.00 0.00 ATOM 450 OD2 ASP A 62 14.584 22.359 7.642 1.00 0.00 ATOM 451 O ASP A 62 13.670 20.034 12.347 1.00 0.00 ATOM 452 C ASP A 62 14.523 20.933 12.267 1.00 0.00 ATOM 453 N ARG A 63 14.718 21.842 13.196 1.00 0.00 ATOM 454 CA ARG A 63 13.941 21.845 14.437 1.00 0.00 ATOM 455 CB ARG A 63 14.685 22.570 15.512 1.00 0.00 ATOM 456 CG ARG A 63 13.849 22.884 16.734 1.00 0.00 ATOM 457 CD ARG A 63 14.544 23.678 17.799 1.00 0.00 ATOM 458 NE ARG A 63 15.761 23.006 18.224 1.00 0.00 ATOM 459 CZ ARG A 63 16.788 23.593 18.794 1.00 0.00 ATOM 460 NH1 ARG A 63 16.795 24.875 19.080 1.00 0.00 ATOM 461 NH2 ARG A 63 17.849 22.848 19.083 1.00 0.00 ATOM 462 O ARG A 63 12.861 23.778 13.515 1.00 0.00 ATOM 463 C ARG A 63 12.732 22.730 14.148 1.00 0.00 ATOM 464 N ILE A 64 11.542 22.299 14.566 1.00 0.00 ATOM 465 CA ILE A 64 10.339 23.084 14.362 1.00 0.00 ATOM 466 CB ILE A 64 9.104 22.190 14.136 1.00 0.00 ATOM 467 CG1 ILE A 64 9.288 21.335 12.882 1.00 0.00 ATOM 468 CG2 ILE A 64 7.856 23.043 13.962 1.00 0.00 ATOM 469 CD1 ILE A 64 8.226 20.271 12.707 1.00 0.00 ATOM 470 O ILE A 64 10.165 23.329 16.739 1.00 0.00 ATOM 471 C ILE A 64 10.222 23.894 15.647 1.00 0.00 ATOM 472 N VAL A 65 10.261 25.216 15.524 1.00 0.00 ATOM 473 CA VAL A 65 10.208 26.083 16.696 1.00 0.00 ATOM 474 CB VAL A 65 11.275 27.179 16.663 1.00 0.00 ATOM 475 CG1 VAL A 65 12.630 26.583 16.729 1.00 0.00 ATOM 476 CG2 VAL A 65 11.207 27.978 15.415 1.00 0.00 ATOM 477 O VAL A 65 8.485 27.047 18.031 1.00 0.00 ATOM 478 C VAL A 65 8.845 26.732 16.904 1.00 0.00 ATOM 479 N THR A 66 8.122 26.966 15.836 1.00 0.00 ATOM 480 CA THR A 66 6.793 27.556 15.963 1.00 0.00 ATOM 481 CB THR A 66 6.912 29.089 15.884 1.00 0.00 ATOM 482 CG2 THR A 66 5.555 29.742 16.105 1.00 0.00 ATOM 483 OG1 THR A 66 7.821 29.555 16.888 1.00 0.00 ATOM 484 O THR A 66 6.291 27.038 13.677 1.00 0.00 ATOM 485 C THR A 66 5.865 27.062 14.848 1.00 0.00 ATOM 486 N ILE A 67 4.624 26.867 15.188 1.00 0.00 ATOM 487 CA ILE A 67 3.566 26.545 14.204 1.00 0.00 ATOM 488 CB ILE A 67 3.043 25.127 14.500 1.00 0.00 ATOM 489 CG1 ILE A 67 4.186 24.112 14.434 1.00 0.00 ATOM 490 CG2 ILE A 67 1.985 24.727 13.481 1.00 0.00 ATOM 491 CD1 ILE A 67 3.788 22.716 14.864 1.00 0.00 ATOM 492 O ILE A 67 1.720 27.555 15.311 1.00 0.00 ATOM 493 C ILE A 67 2.433 27.553 14.304 1.00 0.00 ATOM 494 N CYS A 68 2.209 28.348 13.286 1.00 0.00 ATOM 495 CA CYS A 68 1.169 29.360 13.319 1.00 0.00 ATOM 496 CB CYS A 68 -0.221 28.726 13.271 1.00 0.00 ATOM 497 SG CYS A 68 -0.568 27.801 11.758 1.00 0.00 ATOM 498 O CYS A 68 0.221 30.600 15.153 1.00 0.00 ATOM 499 C CYS A 68 1.242 30.259 14.556 1.00 0.00 ATOM 500 N GLY A 69 2.455 30.622 14.953 1.00 0.00 ATOM 501 CA GLY A 69 2.628 31.497 16.100 1.00 0.00 ATOM 502 O GLY A 69 3.062 31.369 18.446 1.00 0.00 ATOM 503 C GLY A 69 2.724 30.768 17.424 1.00 0.00 ATOM 504 N THR A 70 2.439 29.473 17.415 1.00 0.00 ATOM 505 CA THR A 70 2.507 28.694 18.638 1.00 0.00 ATOM 506 CB THR A 70 1.558 27.482 18.591 1.00 0.00 ATOM 507 CG2 THR A 70 1.669 26.671 19.872 1.00 0.00 ATOM 508 OG1 THR A 70 0.208 27.934 18.442 1.00 0.00 ATOM 509 O THR A 70 4.426 27.371 18.062 1.00 0.00 ATOM 510 C THR A 70 3.915 28.155 18.858 1.00 0.00 ATOM 511 N SER A 71 4.528 28.575 19.956 1.00 0.00 ATOM 512 CA SER A 71 5.882 28.162 20.293 1.00 0.00 ATOM 513 CB SER A 71 6.440 29.029 21.430 1.00 0.00 ATOM 514 OG SER A 71 6.470 30.406 21.050 1.00 0.00 ATOM 515 O SER A 71 5.296 26.194 21.544 1.00 0.00 ATOM 516 C SER A 71 6.001 26.684 20.663 1.00 0.00 ATOM 517 N THR A 72 6.911 25.979 19.999 1.00 0.00 ATOM 518 CA THR A 72 7.125 24.560 20.263 1.00 0.00 ATOM 519 CB THR A 72 6.842 23.702 19.016 1.00 0.00 ATOM 520 CG2 THR A 72 5.388 23.842 18.595 1.00 0.00 ATOM 521 OG1 THR A 72 7.682 24.132 17.938 1.00 0.00 ATOM 522 O THR A 72 8.991 23.133 20.716 1.00 0.00 ATOM 523 C THR A 72 8.566 24.286 20.685 1.00 0.00 ATOM 524 N GLU A 73 9.318 25.338 20.995 1.00 0.00 ATOM 525 CA GLU A 73 10.719 25.179 21.373 1.00 0.00 ATOM 526 CB GLU A 73 11.348 26.540 21.679 1.00 0.00 ATOM 527 CG GLU A 73 11.569 27.411 20.453 1.00 0.00 ATOM 528 CD GLU A 73 12.112 28.783 20.803 1.00 0.00 ATOM 529 OE1 GLU A 73 12.231 29.084 22.009 1.00 0.00 ATOM 530 OE2 GLU A 73 12.414 29.556 19.872 1.00 0.00 ATOM 531 O GLU A 73 12.040 23.809 22.826 1.00 0.00 ATOM 532 C GLU A 73 10.940 24.310 22.609 1.00 0.00 ATOM 533 N GLY A 74 9.910 24.143 23.431 1.00 0.00 ATOM 534 CA GLY A 74 10.051 23.309 24.624 1.00 0.00 ATOM 535 O GLY A 74 8.478 21.969 25.854 1.00 0.00 ATOM 536 C GLY A 74 8.860 22.364 24.756 1.00 0.00 ATOM 537 N MET A 75 8.256 22.033 23.621 1.00 0.00 ATOM 538 CA MET A 75 7.101 21.148 23.607 1.00 0.00 ATOM 539 CB MET A 75 6.344 21.284 22.285 1.00 0.00 ATOM 540 CG MET A 75 5.750 22.663 22.049 1.00 0.00 ATOM 541 SD MET A 75 4.439 23.068 23.218 1.00 0.00 ATOM 542 CE MET A 75 5.308 24.163 24.338 1.00 0.00 ATOM 543 O MET A 75 8.566 19.255 23.404 1.00 0.00 ATOM 544 C MET A 75 7.460 19.679 23.757 1.00 0.00 ATOM 545 N THR A 76 6.529 18.917 24.319 1.00 0.00 ATOM 546 CA THR A 76 6.702 17.478 24.477 1.00 0.00 ATOM 547 CB THR A 76 5.791 16.920 25.585 1.00 0.00 ATOM 548 CG2 THR A 76 6.058 17.631 26.902 1.00 0.00 ATOM 549 OG1 THR A 76 4.419 17.116 25.222 1.00 0.00 ATOM 550 O THR A 76 5.765 17.622 22.286 1.00 0.00 ATOM 551 C THR A 76 6.324 16.907 23.119 1.00 0.00 ATOM 552 N HIS A 77 6.664 15.689 22.829 1.00 0.00 ATOM 553 CA HIS A 77 6.328 15.103 21.532 1.00 0.00 ATOM 554 CB HIS A 77 6.795 13.617 21.600 1.00 0.00 ATOM 555 CG HIS A 77 6.479 12.813 20.375 1.00 0.00 ATOM 556 CD2 HIS A 77 5.325 12.226 19.972 1.00 0.00 ATOM 557 ND1 HIS A 77 7.418 12.515 19.418 1.00 0.00 ATOM 558 CE1 HIS A 77 6.859 11.747 18.482 1.00 0.00 ATOM 559 NE2 HIS A 77 5.577 11.565 18.791 1.00 0.00 ATOM 560 O HIS A 77 4.384 15.570 20.181 1.00 0.00 ATOM 561 C HIS A 77 4.820 15.248 21.292 1.00 0.00 ATOM 562 N THR A 78 4.024 14.911 22.300 1.00 0.00 ATOM 563 CA THR A 78 2.572 14.991 22.183 1.00 0.00 ATOM 564 CB THR A 78 1.877 14.578 23.493 1.00 0.00 ATOM 565 CG2 THR A 78 0.367 14.708 23.358 1.00 0.00 ATOM 566 OG1 THR A 78 2.198 13.215 23.799 1.00 0.00 ATOM 567 O THR A 78 1.156 16.558 21.064 1.00 0.00 ATOM 568 C THR A 78 2.045 16.394 21.889 1.00 0.00 ATOM 569 N GLN A 79 2.569 17.414 22.581 1.00 0.00 ATOM 570 CA GLN A 79 2.126 18.787 22.344 1.00 0.00 ATOM 571 CB GLN A 79 2.869 19.773 23.206 1.00 0.00 ATOM 572 CG GLN A 79 2.521 19.642 24.678 1.00 0.00 ATOM 573 CD GLN A 79 3.390 20.494 25.564 1.00 0.00 ATOM 574 OE1 GLN A 79 4.502 20.113 25.904 1.00 0.00 ATOM 575 NE2 GLN A 79 2.885 21.655 25.955 1.00 0.00 ATOM 576 O GLN A 79 1.646 19.872 20.255 1.00 0.00 ATOM 577 C GLN A 79 2.443 19.199 20.907 1.00 0.00 ATOM 578 N ALA A 80 3.598 18.779 20.404 1.00 0.00 ATOM 579 CA ALA A 80 3.996 19.102 19.040 1.00 0.00 ATOM 580 CB ALA A 80 5.305 18.506 18.676 1.00 0.00 ATOM 581 O ALA A 80 2.675 19.053 17.038 1.00 0.00 ATOM 582 C ALA A 80 3.052 18.445 18.038 1.00 0.00 ATOM 583 N VAL A 81 2.697 17.192 18.292 1.00 0.00 ATOM 584 CA VAL A 81 1.805 16.466 17.401 1.00 0.00 ATOM 585 CB VAL A 81 1.613 15.015 17.876 1.00 0.00 ATOM 586 CG1 VAL A 81 0.513 14.334 17.077 1.00 0.00 ATOM 587 CG2 VAL A 81 2.898 14.222 17.699 1.00 0.00 ATOM 588 O VAL A 81 -0.154 17.293 16.291 1.00 0.00 ATOM 589 C VAL A 81 0.430 17.130 17.359 1.00 0.00 ATOM 590 N ASN A 82 -0.070 17.544 18.520 1.00 0.00 ATOM 591 CA ASN A 82 -1.379 18.179 18.587 1.00 0.00 ATOM 592 CB ASN A 82 -1.780 18.429 20.041 1.00 0.00 ATOM 593 CG ASN A 82 -2.147 17.155 20.774 1.00 0.00 ATOM 594 ND2 ASN A 82 -2.086 17.196 22.100 1.00 0.00 ATOM 595 OD1 ASN A 82 -2.481 16.146 20.153 1.00 0.00 ATOM 596 O ASN A 82 -2.329 19.832 17.137 1.00 0.00 ATOM 597 C ASN A 82 -1.390 19.518 17.856 1.00 0.00 ATOM 598 N LEU A 83 -0.331 20.290 18.034 1.00 0.00 ATOM 599 CA LEU A 83 -0.217 21.590 17.373 1.00 0.00 ATOM 600 CB LEU A 83 1.061 22.310 17.804 1.00 0.00 ATOM 601 CG LEU A 83 1.106 22.800 19.253 1.00 0.00 ATOM 602 CD1 LEU A 83 2.490 23.329 19.599 1.00 0.00 ATOM 603 CD2 LEU A 83 0.101 23.920 19.473 1.00 0.00 ATOM 604 O LEU A 83 -0.937 22.044 15.123 1.00 0.00 ATOM 605 C LEU A 83 -0.196 21.387 15.861 1.00 0.00 ATOM 606 N LEU A 84 0.627 20.450 15.388 1.00 0.00 ATOM 607 CA LEU A 84 0.697 20.205 13.948 1.00 0.00 ATOM 608 CB LEU A 84 1.823 19.223 13.587 1.00 0.00 ATOM 609 CG LEU A 84 3.193 19.893 13.544 1.00 0.00 ATOM 610 CD1 LEU A 84 4.303 18.885 13.642 1.00 0.00 ATOM 611 CD2 LEU A 84 3.344 20.738 12.226 1.00 0.00 ATOM 612 O LEU A 84 -1.036 19.996 12.301 1.00 0.00 ATOM 613 C LEU A 84 -0.586 19.609 13.379 1.00 0.00 ATOM 614 N LYS A 85 -1.219 18.735 14.149 1.00 0.00 ATOM 615 CA LYS A 85 -2.454 18.090 13.717 1.00 0.00 ATOM 616 CB LYS A 85 -2.908 17.056 14.750 1.00 0.00 ATOM 617 CG LYS A 85 -4.143 16.272 14.341 1.00 0.00 ATOM 618 CD LYS A 85 -4.478 15.199 15.365 1.00 0.00 ATOM 619 CE LYS A 85 -5.710 14.409 14.954 1.00 0.00 ATOM 620 NZ LYS A 85 -6.042 13.342 15.939 1.00 0.00 ATOM 621 O LYS A 85 -4.431 18.906 12.637 1.00 0.00 ATOM 622 C LYS A 85 -3.606 19.069 13.541 1.00 0.00 ATOM 623 N ASN A 86 -3.615 20.154 14.324 1.00 0.00 ATOM 624 CA ASN A 86 -4.685 21.141 14.246 1.00 0.00 ATOM 625 CB ASN A 86 -4.907 21.784 15.617 1.00 0.00 ATOM 626 CG ASN A 86 -5.532 20.829 16.614 1.00 0.00 ATOM 627 ND2 ASN A 86 -5.290 21.074 17.898 1.00 0.00 ATOM 628 OD1 ASN A 86 -6.223 19.884 16.236 1.00 0.00 ATOM 629 O ASN A 86 -5.461 23.057 13.030 1.00 0.00 ATOM 630 C ASN A 86 -4.572 22.217 13.175 1.00 0.00 ATOM 631 N ALA A 87 -3.491 22.194 12.409 1.00 0.00 ATOM 632 CA ALA A 87 -3.256 23.189 11.368 1.00 0.00 ATOM 633 CB ALA A 87 -1.813 23.106 10.892 1.00 0.00 ATOM 634 O ALA A 87 -4.711 22.016 9.851 1.00 0.00 ATOM 635 C ALA A 87 -4.176 23.086 10.152 1.00 0.00 ATOM 636 N SER A 88 -4.356 24.209 9.463 1.00 0.00 ATOM 637 CA SER A 88 -5.204 24.234 8.287 1.00 0.00 ATOM 638 CB SER A 88 -5.981 25.549 8.207 1.00 0.00 ATOM 639 OG SER A 88 -5.104 26.652 8.045 1.00 0.00 ATOM 640 O SER A 88 -3.308 23.691 6.956 1.00 0.00 ATOM 641 C SER A 88 -4.445 24.143 6.988 1.00 0.00 ATOM 642 N GLY A 89 -5.133 24.438 5.892 1.00 0.00 ATOM 643 CA GLY A 89 -4.482 24.384 4.596 1.00 0.00 ATOM 644 O GLY A 89 -2.241 24.861 3.891 1.00 0.00 ATOM 645 C GLY A 89 -3.207 25.210 4.570 1.00 0.00 ATOM 646 N SER A 90 -3.326 26.363 5.375 1.00 0.00 ATOM 647 CA SER A 90 -2.209 27.292 5.426 1.00 0.00 ATOM 648 CB SER A 90 -2.704 28.734 5.296 1.00 0.00 ATOM 649 OG SER A 90 -1.631 29.652 5.392 1.00 0.00 ATOM 650 O SER A 90 -1.953 27.592 7.795 1.00 0.00 ATOM 651 C SER A 90 -1.462 27.164 6.750 1.00 0.00 ATOM 652 N ILE A 91 -0.290 26.540 6.704 1.00 0.00 ATOM 653 CA ILE A 91 0.513 26.325 7.903 1.00 0.00 ATOM 654 CB ILE A 91 0.842 24.832 8.084 1.00 0.00 ATOM 655 CG1 ILE A 91 -0.445 24.013 8.197 1.00 0.00 ATOM 656 CG2 ILE A 91 1.663 24.617 9.347 1.00 0.00 ATOM 657 CD1 ILE A 91 -0.219 22.517 8.200 1.00 0.00 ATOM 658 O ILE A 91 2.724 26.723 7.051 1.00 0.00 ATOM 659 C ILE A 91 1.846 27.066 7.850 1.00 0.00 ATOM 660 N GLU A 92 2.002 28.079 8.709 1.00 0.00 ATOM 661 CA GLU A 92 3.234 28.856 8.766 1.00 0.00 ATOM 662 CB GLU A 92 2.917 30.322 9.071 1.00 0.00 ATOM 663 CG GLU A 92 4.142 31.219 9.145 1.00 0.00 ATOM 664 CD GLU A 92 3.792 32.659 9.462 1.00 0.00 ATOM 665 OE1 GLU A 92 2.589 32.955 9.626 1.00 0.00 ATOM 666 OE2 GLU A 92 4.719 33.491 9.548 1.00 0.00 ATOM 667 O GLU A 92 3.807 28.311 11.032 1.00 0.00 ATOM 668 C GLU A 92 4.153 28.314 9.855 1.00 0.00 ATOM 669 N MET A 93 5.320 27.831 9.453 1.00 0.00 ATOM 670 CA MET A 93 6.266 27.271 10.408 1.00 0.00 ATOM 671 CB MET A 93 6.747 25.905 9.932 1.00 0.00 ATOM 672 CG MET A 93 5.636 24.912 9.602 1.00 0.00 ATOM 673 SD MET A 93 4.686 24.350 11.031 1.00 0.00 ATOM 674 CE MET A 93 5.650 22.926 11.531 1.00 0.00 ATOM 675 O MET A 93 8.095 28.552 9.554 1.00 0.00 ATOM 676 C MET A 93 7.533 28.093 10.546 1.00 0.00 ATOM 677 N GLN A 94 8.028 28.183 11.776 1.00 0.00 ATOM 678 CA GLN A 94 9.287 28.856 12.047 1.00 0.00 ATOM 679 CB GLN A 94 9.186 29.968 13.061 1.00 0.00 ATOM 680 CG GLN A 94 10.392 30.887 12.819 1.00 0.00 ATOM 681 CD GLN A 94 9.992 32.359 12.732 1.00 0.00 ATOM 682 OE1 GLN A 94 10.729 33.179 12.169 1.00 0.00 ATOM 683 NE2 GLN A 94 8.804 32.671 13.227 1.00 0.00 ATOM 684 O GLN A 94 9.873 26.908 13.307 1.00 0.00 ATOM 685 C GLN A 94 10.203 27.705 12.426 1.00 0.00 ATOM 686 N VAL A 95 11.305 27.558 11.711 1.00 0.00 ATOM 687 CA VAL A 95 12.170 26.398 11.864 1.00 0.00 ATOM 688 CB VAL A 95 12.085 25.362 10.727 1.00 0.00 ATOM 689 CG1 VAL A 95 10.688 24.760 10.661 1.00 0.00 ATOM 690 CG2 VAL A 95 12.392 26.014 9.389 1.00 0.00 ATOM 691 O VAL A 95 13.914 28.005 11.539 1.00 0.00 ATOM 692 C VAL A 95 13.615 26.862 11.882 1.00 0.00 ATOM 693 N VAL A 96 14.502 25.982 12.335 1.00 0.00 ATOM 694 CA VAL A 96 15.915 26.303 12.418 1.00 0.00 ATOM 695 CB VAL A 96 16.232 26.936 13.783 1.00 0.00 ATOM 696 CG1 VAL A 96 15.890 25.974 14.910 1.00 0.00 ATOM 697 CG2 VAL A 96 17.710 27.279 13.881 1.00 0.00 ATOM 698 O VAL A 96 16.442 23.986 12.751 1.00 0.00 ATOM 699 C VAL A 96 16.784 25.060 12.254 1.00 0.00 ATOM 700 N ALA A 97 17.862 25.190 11.493 1.00 0.00 ATOM 701 CA ALA A 97 18.771 24.073 11.260 1.00 0.00 ATOM 702 CB ALA A 97 19.529 24.417 9.943 1.00 0.00 ATOM 703 O ALA A 97 19.945 24.518 13.316 1.00 0.00 ATOM 704 C ALA A 97 19.336 23.697 12.630 1.00 0.00 ATOM 705 N GLY A 98 19.046 22.473 13.065 1.00 0.00 ATOM 706 CA GLY A 98 19.491 22.047 14.395 1.00 0.00 ATOM 707 O GLY A 98 21.264 20.595 13.641 1.00 0.00 ATOM 708 C GLY A 98 20.912 21.498 14.404 1.00 0.00 ATOM 709 N GLY A 99 21.697 21.995 15.363 1.00 0.00 ATOM 710 CA GLY A 99 23.076 21.562 15.473 1.00 0.00 ATOM 711 O GLY A 99 22.475 19.406 16.388 1.00 0.00 ATOM 712 C GLY A 99 23.223 20.049 15.648 1.00 0.00 ATOM 713 N ASP A 100 24.238 19.488 14.946 1.00 0.00 ATOM 714 CA ASP A 100 24.507 18.056 14.983 1.00 0.00 ATOM 715 CB ASP A 100 24.803 17.711 16.505 1.00 0.00 ATOM 716 CG ASP A 100 26.117 18.327 16.953 1.00 0.00 ATOM 717 OD1 ASP A 100 27.015 18.495 16.096 1.00 0.00 ATOM 718 OD2 ASP A 100 26.266 18.634 18.158 1.00 0.00 ATOM 719 O ASP A 100 23.092 16.082 15.286 1.00 0.00 ATOM 720 C ASP A 100 23.317 17.143 14.699 1.00 0.00 ATOM 721 N VAL A 101 22.598 17.609 13.678 1.00 0.00 ATOM 722 CA VAL A 101 21.410 16.918 13.211 1.00 0.00 ATOM 723 CB VAL A 101 20.032 17.597 13.397 1.00 0.00 ATOM 724 CG1 VAL A 101 18.853 16.574 13.308 1.00 0.00 ATOM 725 CG2 VAL A 101 19.961 18.264 14.753 1.00 0.00 ATOM 726 O VAL A 101 21.993 17.265 10.893 1.00 0.00 ATOM 727 C VAL A 101 21.505 16.510 11.742 1.00 0.00 ATOM 728 N SER A 102 21.065 15.288 11.459 1.00 0.00 ATOM 729 CA SER A 102 21.111 14.746 10.111 1.00 0.00 ATOM 730 CB SER A 102 22.367 13.882 9.910 1.00 0.00 ATOM 731 OG SER A 102 22.369 12.748 10.761 1.00 0.00 ATOM 732 O SER A 102 19.115 13.639 10.831 1.00 0.00 ATOM 733 C SER A 102 19.909 13.833 9.916 1.00 0.00 ATOM 734 N GLU A 103 19.827 13.247 8.719 1.00 0.00 ATOM 735 CA GLU A 103 18.701 12.373 8.417 1.00 0.00 ATOM 736 CB GLU A 103 18.718 11.922 6.977 1.00 0.00 ATOM 737 CG GLU A 103 18.416 13.031 6.015 1.00 0.00 ATOM 738 CD GLU A 103 18.391 12.709 4.545 1.00 0.00 ATOM 739 OE1 GLU A 103 18.536 11.551 4.117 1.00 0.00 ATOM 740 OE2 GLU A 103 18.204 13.669 3.750 1.00 0.00 ATOM 741 O GLU A 103 17.771 10.601 9.742 1.00 0.00 ATOM 742 C GLU A 103 18.786 11.111 9.271 1.00 0.00 ATOM 743 N THR A 104 20.006 10.634 9.506 1.00 0.00 ATOM 744 CA THR A 104 20.209 9.436 10.311 1.00 0.00 ATOM 745 CB THR A 104 21.677 8.963 10.235 1.00 0.00 ATOM 746 CG2 THR A 104 21.863 7.653 10.989 1.00 0.00 ATOM 747 OG1 THR A 104 22.029 8.758 8.861 1.00 0.00 ATOM 748 O THR A 104 19.250 8.944 12.454 1.00 0.00 ATOM 749 C THR A 104 19.848 9.757 11.758 1.00 0.00 ATOM 750 N SER A 105 20.200 10.952 12.186 1.00 0.00 ATOM 751 CA SER A 105 19.902 11.369 13.552 1.00 0.00 ATOM 752 CB SER A 105 20.566 12.728 13.842 1.00 0.00 ATOM 753 OG SER A 105 21.991 12.532 13.881 1.00 0.00 ATOM 754 O SER A 105 17.856 11.007 14.769 1.00 0.00 ATOM 755 C SER A 105 18.390 11.472 13.758 1.00 0.00 ATOM 756 N VAL A 106 17.699 12.043 12.756 1.00 0.00 ATOM 757 CA VAL A 106 16.250 12.186 12.882 1.00 0.00 ATOM 758 CB VAL A 106 15.916 13.709 13.254 1.00 0.00 ATOM 759 CG1 VAL A 106 16.506 14.660 12.210 1.00 0.00 ATOM 760 CG2 VAL A 106 14.401 13.884 13.413 1.00 0.00 ATOM 761 O VAL A 106 16.004 12.198 10.507 1.00 0.00 ATOM 762 C VAL A 106 15.623 11.728 11.576 1.00 0.00 ENDMDL EXPDTA 2iwoA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2iwoA ATOM 1 N LEU 11 17.562 30.564 10.330 1.00 0.00 ATOM 2 CA LEU 11 16.077 30.578 10.599 1.00 0.00 ATOM 3 CB LEU 11 15.687 31.710 11.557 1.00 0.00 ATOM 4 CG LEU 11 14.250 31.551 12.085 1.00 0.00 ATOM 5 CD1 LEU 11 14.120 30.530 13.219 1.00 0.00 ATOM 6 CD2 LEU 11 13.607 32.886 12.479 1.00 0.00 ATOM 7 O LEU 11 15.394 31.721 8.618 1.00 0.00 ATOM 8 C LEU 11 15.260 30.723 9.322 1.00 0.00 ATOM 9 N ARG 12 14.376 29.765 9.031 1.00 0.00 ATOM 10 CA ARG 12 13.531 29.828 7.887 1.00 0.00 ATOM 11 CB ARG 12 13.801 28.661 6.920 1.00 0.00 ATOM 12 CG ARG 12 15.026 28.840 6.039 1.00 0.00 ATOM 13 CD ARG 12 15.456 27.501 5.473 1.00 0.00 ATOM 14 NE ARG 12 16.219 26.771 6.484 1.00 0.00 ATOM 15 CZ ARG 12 16.029 25.508 6.857 1.00 0.00 ATOM 16 NH1 ARG 12 15.144 24.717 6.267 1.00 0.00 ATOM 17 NH2 ARG 12 16.803 25.017 7.804 1.00 0.00 ATOM 18 O ARG 12 11.740 29.050 9.283 1.00 0.00 ATOM 19 C ARG 12 12.086 29.764 8.329 1.00 0.00 ATOM 20 N THR 13 11.257 30.567 7.679 1.00 0.00 ATOM 21 CA THR 13 9.828 30.602 7.948 1.00 0.00 ATOM 22 CB THR 13 9.384 32.022 8.146 1.00 0.00 ATOM 23 CG2 THR 13 7.876 32.068 8.346 1.00 0.00 ATOM 24 OG1 THR 13 10.064 32.531 9.296 1.00 0.00 ATOM 25 O THR 13 9.318 30.422 5.635 1.00 0.00 ATOM 26 C THR 13 9.100 30.010 6.768 1.00 0.00 ATOM 27 N VAL 14 8.204 29.074 7.028 1.00 0.00 ATOM 28 CA VAL 14 7.504 28.364 5.957 1.00 0.00 ATOM 29 CB VAL 14 7.977 26.890 5.929 1.00 0.00 ATOM 30 CG1 VAL 14 7.741 26.267 4.591 1.00 0.00 ATOM 31 CG2 VAL 14 9.504 26.833 6.244 1.00 0.00 ATOM 32 O VAL 14 5.562 28.423 7.319 1.00 0.00 ATOM 33 C VAL 14 6.009 28.468 6.186 1.00 0.00 ATOM 34 N GLU 15 5.247 28.674 5.120 1.00 0.00 ATOM 35 CA GLU 15 3.800 28.655 5.143 1.00 0.00 ATOM 36 CB GLU 15 3.276 29.970 4.546 1.00 0.00 ATOM 37 CG GLU 15 3.118 31.082 5.559 1.00 0.00 ATOM 38 CD GLU 15 1.844 30.936 6.355 1.00 0.00 ATOM 39 OE1 GLU 15 0.885 30.357 5.799 1.00 0.00 ATOM 40 OE2 GLU 15 1.797 31.384 7.523 1.00 0.00 ATOM 41 O GLU 15 3.788 27.369 3.132 1.00 0.00 ATOM 42 C GLU 15 3.371 27.459 4.275 1.00 0.00 ATOM 43 N MET 16 2.613 26.509 4.823 1.00 0.00 ATOM 44 CA MET 16 2.129 25.373 4.030 1.00 0.00 ATOM 45 CB MET 16 2.772 24.087 4.540 1.00 0.00 ATOM 46 CG MET 16 4.285 24.126 4.560 1.00 0.00 ATOM 47 SD MET 16 4.843 22.638 5.368 1.00 0.00 ATOM 48 CE MET 16 4.699 23.100 7.085 1.00 0.00 ATOM 49 O MET 16 0.035 25.527 5.159 1.00 0.00 ATOM 50 C MET 16 0.607 25.224 4.129 1.00 0.00 ATOM 51 N LYS 17 -0.032 24.746 3.060 1.00 0.00 ATOM 52 CA LYS 17 -1.452 24.356 3.087 1.00 0.00 ATOM 53 CB LYS 17 -2.197 25.070 1.960 1.00 0.00 ATOM 54 CG LYS 17 -2.089 26.598 2.016 1.00 0.00 ATOM 55 O LYS 17 -0.916 22.336 1.978 1.00 0.00 ATOM 56 C LYS 17 -1.540 22.849 2.887 1.00 0.00 ATOM 57 N LYS 18 -2.302 22.116 3.712 1.00 0.00 ATOM 58 CA LYS 18 -2.291 20.634 3.595 1.00 0.00 ATOM 59 CB LYS 18 -3.174 19.989 4.674 1.00 0.00 ATOM 60 CG LYS 18 -2.511 19.970 6.037 1.00 0.00 ATOM 61 CD LYS 18 -3.386 19.366 7.093 1.00 0.00 ATOM 62 CE LYS 18 -2.598 19.200 8.349 1.00 0.00 ATOM 63 NZ LYS 18 -3.386 18.597 9.395 1.00 0.00 ATOM 64 O LYS 18 -3.479 20.610 1.460 1.00 0.00 ATOM 65 C LYS 18 -2.655 20.056 2.206 1.00 0.00 ATOM 66 N SER 23 -2.433 15.847 4.634 1.00 0.00 ATOM 67 CA SER 23 -1.138 15.630 5.313 1.00 0.00 ATOM 68 CB SER 23 -0.622 14.206 5.007 1.00 0.00 ATOM 69 OG SER 23 0.636 13.986 5.618 1.00 0.00 ATOM 70 O SER 23 -0.051 17.114 3.774 1.00 0.00 ATOM 71 C SER 23 -0.065 16.654 4.905 1.00 0.00 ATOM 72 N LEU 24 0.835 16.995 5.824 1.00 0.00 ATOM 73 CA LEU 24 1.980 17.841 5.467 1.00 0.00 ATOM 74 CB LEU 24 2.513 18.585 6.679 1.00 0.00 ATOM 75 CG LEU 24 1.496 19.531 7.317 1.00 0.00 ATOM 76 CD1 LEU 24 1.981 20.017 8.719 1.00 0.00 ATOM 77 CD2 LEU 24 1.256 20.710 6.414 1.00 0.00 ATOM 78 O LEU 24 4.010 17.600 4.259 1.00 0.00 ATOM 79 C LEU 24 3.127 17.039 4.873 1.00 0.00 ATOM 80 N GLY 25 3.150 15.729 5.086 1.00 0.00 ATOM 81 CA GLY 25 4.177 14.909 4.519 1.00 0.00 ATOM 82 O GLY 25 6.587 15.069 4.670 1.00 0.00 ATOM 83 C GLY 25 5.493 15.071 5.258 1.00 0.00 ATOM 84 N ILE 26 5.400 15.211 6.562 1.00 0.00 ATOM 85 CA ILE 26 6.605 15.113 7.395 1.00 0.00 ATOM 86 CB ILE 26 7.097 16.473 7.893 1.00 0.00 ATOM 87 CG1 ILE 26 6.053 17.184 8.678 1.00 0.00 ATOM 88 CG2 ILE 26 7.522 17.353 6.731 1.00 0.00 ATOM 89 CD1 ILE 26 6.548 18.600 9.147 1.00 0.00 ATOM 90 O ILE 26 5.227 14.088 9.083 1.00 0.00 ATOM 91 C ILE 26 6.360 14.216 8.588 1.00 0.00 ATOM 92 N SER 27 7.468 13.655 9.085 1.00 0.00 ATOM 93 CA SER 27 7.466 12.812 10.246 1.00 0.00 ATOM 94 CB SER 27 8.165 11.486 9.943 1.00 0.00 ATOM 95 OG SER 27 7.374 10.740 9.025 1.00 0.00 ATOM 96 O SER 27 9.413 13.872 11.054 1.00 0.00 ATOM 97 C SER 27 8.250 13.549 11.303 1.00 0.00 ATOM 98 N ILE 28 7.629 13.829 12.441 1.00 0.00 ATOM 99 CA ILE 28 8.309 14.611 13.475 1.00 0.00 ATOM 100 CB ILE 28 7.551 15.852 13.921 1.00 0.00 ATOM 101 CG1 ILE 28 6.230 15.476 14.512 1.00 0.00 ATOM 102 CG2 ILE 28 7.453 16.917 12.727 1.00 0.00 ATOM 103 CD1 ILE 28 5.625 16.597 15.423 1.00 0.00 ATOM 104 O ILE 28 8.015 12.734 14.953 1.00 0.00 ATOM 105 C ILE 28 8.677 13.754 14.665 1.00 0.00 ATOM 106 N ALA 29 9.793 14.117 15.273 1.00 0.00 ATOM 107 CA ALA 29 10.363 13.400 16.388 1.00 0.00 ATOM 108 CB ALA 29 11.526 12.539 15.937 1.00 0.00 ATOM 109 O ALA 29 10.653 15.607 17.264 1.00 0.00 ATOM 110 C ALA 29 10.814 14.418 17.447 1.00 0.00 ATOM 111 N GLY 30 11.343 13.948 18.562 1.00 0.00 ATOM 112 CA GLY 30 11.823 14.840 19.612 1.00 0.00 ATOM 113 O GLY 30 9.643 14.779 20.555 1.00 0.00 ATOM 114 C GLY 30 10.737 15.318 20.515 1.00 0.00 ATOM 115 N GLY 31 11.046 16.398 21.224 1.00 0.00 ATOM 116 CA GLY 31 10.151 16.978 22.181 1.00 0.00 ATOM 117 O GLY 31 11.516 15.985 23.907 1.00 0.00 ATOM 118 C GLY 31 10.590 16.768 23.620 1.00 0.00 ATOM 119 N VAL 32 9.945 17.501 24.526 1.00 0.00 ATOM 120 CA VAL 32 10.082 17.255 25.968 1.00 0.00 ATOM 121 CB VAL 32 9.177 18.235 26.789 1.00 0.00 ATOM 122 CG1 VAL 32 9.166 17.876 28.275 1.00 0.00 ATOM 123 CG2 VAL 32 9.640 19.663 26.530 1.00 0.00 ATOM 124 O VAL 32 8.665 15.344 25.843 1.00 0.00 ATOM 125 C VAL 32 9.698 15.809 26.267 1.00 0.00 ATOM 126 N GLY 33 10.550 15.082 26.971 1.00 0.00 ATOM 127 CA GLY 33 10.202 13.755 27.382 1.00 0.00 ATOM 128 O GLY 33 9.919 11.575 26.458 1.00 0.00 ATOM 129 C GLY 33 10.427 12.714 26.313 1.00 0.00 ATOM 130 N SER 34 11.173 13.078 25.258 1.00 0.00 ATOM 131 CA SER 34 11.533 12.109 24.177 1.00 0.00 ATOM 132 CB SER 34 12.288 12.796 22.997 1.00 0.00 ATOM 133 OG SER 34 13.714 12.724 23.169 1.00 0.00 ATOM 134 O SER 34 12.963 11.114 25.848 1.00 0.00 ATOM 135 C SER 34 12.409 11.001 24.747 1.00 0.00 ATOM 136 N PRO 35 12.580 9.910 23.974 1.00 0.00 ATOM 137 CA PRO 35 13.472 8.840 24.492 1.00 0.00 ATOM 138 CB PRO 35 13.466 7.817 23.355 1.00 0.00 ATOM 139 CG PRO 35 12.201 8.082 22.598 1.00 0.00 ATOM 140 CD PRO 35 11.961 9.557 22.697 1.00 0.00 ATOM 141 O PRO 35 15.552 8.619 25.657 1.00 0.00 ATOM 142 C PRO 35 14.913 9.261 24.819 1.00 0.00 ATOM 143 N LEU 36 15.419 10.316 24.179 1.00 0.00 ATOM 144 CA LEU 36 16.757 10.839 24.455 1.00 0.00 ATOM 145 CB LEU 36 17.424 11.304 23.152 1.00 0.00 ATOM 146 CG LEU 36 17.922 10.218 22.195 1.00 0.00 ATOM 147 CD1 LEU 36 18.268 10.816 20.863 1.00 0.00 ATOM 148 CD2 LEU 36 19.120 9.515 22.788 1.00 0.00 ATOM 149 O LEU 36 17.762 12.679 25.642 1.00 0.00 ATOM 150 C LEU 36 16.743 12.025 25.450 1.00 0.00 ATOM 151 N GLY 37 15.602 12.292 26.063 1.00 0.00 ATOM 152 CA GLY 37 15.468 13.360 27.030 1.00 0.00 ATOM 153 O GLY 37 14.081 14.339 25.330 1.00 0.00 ATOM 154 C GLY 37 14.790 14.523 26.319 1.00 0.00 ATOM 155 N ASP 38 14.972 15.717 26.851 1.00 0.00 ATOM 156 CA ASP 38 14.231 16.874 26.317 1.00 0.00 ATOM 157 CB ASP 38 14.106 17.967 27.394 1.00 0.00 ATOM 158 CG ASP 38 13.266 17.526 28.571 1.00 0.00 ATOM 159 OD1 ASP 38 12.526 16.526 28.464 1.00 0.00 ATOM 160 OD2 ASP 38 13.342 18.181 29.631 1.00 0.00 ATOM 161 O ASP 38 16.129 18.014 25.426 1.00 0.00 ATOM 162 C ASP 38 15.063 17.403 25.189 1.00 0.00 ATOM 163 N VAL 39 14.595 17.150 23.977 1.00 0.00 ATOM 164 CA VAL 39 15.256 17.630 22.791 1.00 0.00 ATOM 165 CB VAL 39 15.951 16.504 21.969 1.00 0.00 ATOM 166 CG1 VAL 39 16.909 15.688 22.851 1.00 0.00 ATOM 167 CG2 VAL 39 14.948 15.611 21.266 1.00 0.00 ATOM 168 O VAL 39 13.038 18.169 21.963 1.00 0.00 ATOM 169 C VAL 39 14.244 18.395 21.912 1.00 0.00 ATOM 170 N PRO 40 14.738 19.373 21.147 1.00 0.00 ATOM 171 CA PRO 40 13.862 20.073 20.236 1.00 0.00 ATOM 172 CB PRO 40 14.833 20.952 19.422 1.00 0.00 ATOM 173 CG PRO 40 15.928 21.221 20.354 1.00 0.00 ATOM 174 CD PRO 40 16.083 19.928 21.164 1.00 0.00 ATOM 175 O PRO 40 13.655 18.159 18.776 1.00 0.00 ATOM 176 C PRO 40 13.117 19.145 19.264 1.00 0.00 ATOM 177 N ILE 41 11.882 19.488 18.988 1.00 0.00 ATOM 178 CA ILE 41 11.096 18.820 17.922 1.00 0.00 ATOM 179 CB ILE 41 9.705 19.491 17.803 1.00 0.00 ATOM 180 CG1 ILE 41 8.863 19.377 19.092 1.00 0.00 ATOM 181 CG2 ILE 41 8.947 18.969 16.604 1.00 0.00 ATOM 182 CD1 ILE 41 8.301 18.013 19.382 1.00 0.00 ATOM 183 O ILE 41 12.357 19.964 16.272 1.00 0.00 ATOM 184 C ILE 41 11.825 18.934 16.611 1.00 0.00 ATOM 185 N PHE 42 11.898 17.845 15.857 1.00 0.00 ATOM 186 CA PHE 42 12.673 17.845 14.616 1.00 0.00 ATOM 187 CB PHE 42 14.126 17.413 14.817 1.00 0.00 ATOM 188 CG PHE 42 14.324 15.981 15.210 1.00 0.00 ATOM 189 CD1 PHE 42 14.686 15.035 14.264 1.00 0.00 ATOM 190 CD2 PHE 42 14.306 15.621 16.539 1.00 0.00 ATOM 191 CE1 PHE 42 14.934 13.726 14.668 1.00 0.00 ATOM 192 CE2 PHE 42 14.560 14.331 16.923 1.00 0.00 ATOM 193 CZ PHE 42 14.877 13.393 15.961 1.00 0.00 ATOM 194 O PHE 42 11.190 16.171 13.858 1.00 0.00 ATOM 195 C PHE 42 12.026 17.011 13.528 1.00 0.00 ATOM 196 N ILE 43 12.387 17.316 12.275 1.00 0.00 ATOM 197 CA ILE 43 11.952 16.578 11.078 1.00 0.00 ATOM 198 CB ILE 43 11.912 17.457 9.798 1.00 0.00 ATOM 199 CG1 ILE 43 11.013 18.675 10.062 1.00 0.00 ATOM 200 CG2 ILE 43 11.364 16.627 8.628 1.00 0.00 ATOM 201 CD1 ILE 43 10.955 19.633 8.887 1.00 0.00 ATOM 202 O ILE 43 14.025 15.505 10.537 1.00 0.00 ATOM 203 C ILE 43 12.864 15.369 10.888 1.00 0.00 ATOM 204 N ALA 44 12.305 14.189 11.151 1.00 0.00 ATOM 205 CA ALA 44 13.057 12.914 11.041 1.00 0.00 ATOM 206 CB ALA 44 12.580 11.921 12.095 1.00 0.00 ATOM 207 O ALA 44 13.873 11.532 9.251 1.00 0.00 ATOM 208 C ALA 44 12.970 12.258 9.647 1.00 0.00 ATOM 209 N MET 45 11.895 12.533 8.913 1.00 0.00 ATOM 210 CA MET 45 11.660 12.054 7.542 1.00 0.00 ATOM 211 CB MET 45 11.016 10.667 7.541 1.00 0.00 ATOM 212 CG MET 45 11.908 9.570 8.087 1.00 0.00 ATOM 213 SD MET 45 11.155 7.937 7.770 1.00 0.00 ATOM 214 CE MET 45 9.701 8.059 8.761 1.00 0.00 ATOM 215 O MET 45 9.966 13.798 7.513 1.00 0.00 ATOM 216 C MET 45 10.686 13.016 6.843 1.00 0.00 ATOM 217 N MET 46 10.644 12.927 5.518 1.00 0.00 ATOM 218 CA MET 46 9.723 13.768 4.744 1.00 0.00 ATOM 219 CB MET 46 10.418 15.015 4.211 1.00 0.00 ATOM 220 CG MET 46 10.514 16.154 5.206 1.00 0.00 ATOM 221 SD MET 46 11.275 17.666 4.497 1.00 0.00 ATOM 222 CE MET 46 10.463 17.640 3.018 1.00 0.00 ATOM 223 O MET 46 10.072 12.225 2.966 1.00 0.00 ATOM 224 C MET 46 9.256 12.900 3.586 1.00 0.00 ATOM 225 N HIS 47 7.958 12.909 3.310 1.00 0.00 ATOM 226 CA HIS 47 7.436 12.242 2.127 1.00 0.00 ATOM 227 CB HIS 47 5.904 12.303 2.134 1.00 0.00 ATOM 228 CG HIS 47 5.271 11.488 1.054 1.00 0.00 ATOM 229 CD2 HIS 47 4.715 11.842 -0.133 1.00 0.00 ATOM 230 ND1 HIS 47 5.161 10.113 1.134 1.00 0.00 ATOM 231 CE1 HIS 47 4.565 9.658 0.044 1.00 0.00 ATOM 232 NE2 HIS 47 4.289 10.686 -0.743 1.00 0.00 ATOM 233 O HIS 47 7.871 14.168 0.775 1.00 0.00 ATOM 234 C HIS 47 7.967 12.937 0.893 1.00 0.00 ATOM 235 N PRO 48 8.509 12.184 -0.078 1.00 0.00 ATOM 236 CA PRO 48 9.176 12.855 -1.208 1.00 0.00 ATOM 237 CB PRO 48 9.636 11.681 -2.099 1.00 0.00 ATOM 238 CG PRO 48 9.650 10.511 -1.211 1.00 0.00 ATOM 239 CD PRO 48 8.562 10.712 -0.208 1.00 0.00 ATOM 240 O PRO 48 8.834 14.824 -2.571 1.00 0.00 ATOM 241 C PRO 48 8.298 13.837 -2.038 1.00 0.00 ATOM 242 N THR 49 7.003 13.548 -2.152 1.00 0.00 ATOM 243 CA THR 49 6.082 14.350 -2.968 1.00 0.00 ATOM 244 CB THR 49 5.335 13.477 -3.992 1.00 0.00 ATOM 245 CG2 THR 49 6.314 12.865 -5.003 1.00 0.00 ATOM 246 OG1 THR 49 4.645 12.448 -3.272 1.00 0.00 ATOM 247 O THR 49 4.130 15.700 -2.717 1.00 0.00 ATOM 248 C THR 49 5.055 15.115 -2.158 1.00 0.00 ATOM 249 N GLY 50 5.232 15.150 -0.841 1.00 0.00 ATOM 250 CA GLY 50 4.297 15.847 0.024 1.00 0.00 ATOM 251 O GLY 50 5.323 17.940 -0.640 1.00 0.00 ATOM 252 C GLY 50 4.403 17.366 -0.033 1.00 0.00 ATOM 253 N VAL 51 3.537 18.010 0.754 1.00 0.00 ATOM 254 CA VAL 51 3.471 19.491 0.797 1.00 0.00 ATOM 255 CB VAL 51 2.271 19.945 1.657 1.00 0.00 ATOM 256 CG1 VAL 51 2.368 21.400 1.963 1.00 0.00 ATOM 257 CG2 VAL 51 0.967 19.661 0.919 1.00 0.00 ATOM 258 O VAL 51 5.261 21.095 0.754 1.00 0.00 ATOM 259 C VAL 51 4.761 20.111 1.306 1.00 0.00 ATOM 260 N ALA 52 5.362 19.506 2.329 1.00 0.00 ATOM 261 CA ALA 52 6.642 20.000 2.889 1.00 0.00 ATOM 262 CB ALA 52 7.033 19.197 4.160 1.00 0.00 ATOM 263 O ALA 52 8.508 20.904 1.695 1.00 0.00 ATOM 264 C ALA 52 7.738 19.961 1.846 1.00 0.00 ATOM 265 N ALA 53 7.800 18.851 1.100 1.00 0.00 ATOM 266 CA ALA 53 8.774 18.702 0.048 1.00 0.00 ATOM 267 CB ALA 53 8.754 17.295 -0.583 1.00 0.00 ATOM 268 O ALA 53 9.530 20.333 -1.528 1.00 0.00 ATOM 269 C ALA 53 8.578 19.766 -1.021 1.00 0.00 ATOM 270 N GLN 54 7.325 20.022 -1.348 1.00 0.00 ATOM 271 CA GLN 54 7.034 20.997 -2.383 1.00 0.00 ATOM 272 CB GLN 54 5.563 20.954 -2.725 1.00 0.00 ATOM 273 CG GLN 54 5.129 19.668 -3.435 1.00 0.00 ATOM 274 CD GLN 54 3.657 19.558 -3.496 1.00 0.00 ATOM 275 OE1 GLN 54 2.984 20.555 -3.731 1.00 0.00 ATOM 276 NE2 GLN 54 3.114 18.367 -3.251 1.00 0.00 ATOM 277 O GLN 54 7.725 23.186 -2.919 1.00 0.00 ATOM 278 C GLN 54 7.452 22.390 -2.024 1.00 0.00 ATOM 279 N THR 55 7.537 22.708 -0.724 1.00 0.00 ATOM 280 CA THR 55 8.011 24.075 -0.335 1.00 0.00 ATOM 281 CB THR 55 7.913 24.319 1.174 1.00 0.00 ATOM 282 CG2 THR 55 6.534 24.015 1.722 1.00 0.00 ATOM 283 OG1 THR 55 8.937 23.570 1.855 1.00 0.00 ATOM 284 O THR 55 9.804 25.506 -1.041 1.00 0.00 ATOM 285 C THR 55 9.444 24.363 -0.775 1.00 0.00 ATOM 286 N GLN 56 10.268 23.320 -0.858 1.00 0.00 ATOM 287 CA GLN 56 11.701 23.431 -1.115 1.00 0.00 ATOM 288 CB GLN 56 11.955 23.827 -2.604 1.00 0.00 ATOM 289 CG GLN 56 11.464 22.747 -3.582 1.00 0.00 ATOM 290 CD GLN 56 12.370 21.563 -3.642 1.00 0.00 ATOM 291 OE1 GLN 56 13.450 21.619 -4.233 1.00 0.00 ATOM 292 NE2 GLN 56 11.934 20.465 -3.051 1.00 0.00 ATOM 293 O GLN 56 13.505 24.859 -0.371 1.00 0.00 ATOM 294 C GLN 56 12.421 24.308 -0.110 1.00 0.00 ATOM 295 N LYS 57 11.847 24.397 1.082 1.00 0.00 ATOM 296 CA LYS 57 12.395 25.212 2.177 1.00 0.00 ATOM 297 CB LYS 57 11.523 26.440 2.464 1.00 0.00 ATOM 298 CG LYS 57 11.185 27.311 1.261 1.00 0.00 ATOM 299 O LYS 57 12.943 25.033 4.443 1.00 0.00 ATOM 300 C LYS 57 12.516 24.451 3.478 1.00 0.00 ATOM 301 N LEU 58 12.087 23.182 3.524 1.00 0.00 ATOM 302 CA LEU 58 12.253 22.355 4.732 1.00 0.00 ATOM 303 CB LEU 58 10.924 21.826 5.203 1.00 0.00 ATOM 304 CG LEU 58 9.888 22.842 5.617 1.00 0.00 ATOM 305 CD1 LEU 58 8.552 22.129 5.772 1.00 0.00 ATOM 306 CD2 LEU 58 10.350 23.478 6.921 1.00 0.00 ATOM 307 O LEU 58 13.172 20.744 3.267 1.00 0.00 ATOM 308 C LEU 58 13.176 21.213 4.397 1.00 0.00 ATOM 309 N ARG 59 13.969 20.788 5.374 1.00 0.00 ATOM 310 CA ARG 59 14.930 19.712 5.183 1.00 0.00 ATOM 311 CB ARG 59 16.346 20.265 5.196 1.00 0.00 ATOM 312 CG ARG 59 16.720 21.234 4.040 1.00 0.00 ATOM 313 O ARG 59 14.516 19.106 7.502 1.00 0.00 ATOM 314 C ARG 59 14.800 18.733 6.352 1.00 0.00 ATOM 315 N VAL 60 15.013 17.460 6.045 1.00 0.00 ATOM 316 CA VAL 60 15.185 16.507 7.113 1.00 0.00 ATOM 317 CB VAL 60 15.367 15.075 6.548 1.00 0.00 ATOM 318 CG1 VAL 60 15.786 14.148 7.606 1.00 0.00 ATOM 319 CG2 VAL 60 14.071 14.565 5.911 1.00 0.00 ATOM 320 O VAL 60 17.393 17.423 7.491 1.00 0.00 ATOM 321 C VAL 60 16.348 16.968 7.985 1.00 0.00 ATOM 322 N GLY 61 16.143 16.888 9.274 1.00 0.00 ATOM 323 CA GLY 61 17.071 17.384 10.285 1.00 0.00 ATOM 324 O GLY 61 17.402 19.215 11.788 1.00 0.00 ATOM 325 C GLY 61 16.777 18.771 10.810 1.00 0.00 ATOM 326 N ASP 62 15.866 19.496 10.156 1.00 0.00 ATOM 327 CA ASP 62 15.455 20.802 10.686 1.00 0.00 ATOM 328 CB ASP 62 14.432 21.465 9.758 1.00 0.00 ATOM 329 CG ASP 62 15.049 22.081 8.534 1.00 0.00 ATOM 330 OD1 ASP 62 16.289 22.159 8.447 1.00 0.00 ATOM 331 OD2 ASP 62 14.271 22.463 7.617 1.00 0.00 ATOM 332 O ASP 62 14.073 19.658 12.286 1.00 0.00 ATOM 333 C ASP 62 14.851 20.622 12.049 1.00 0.00 ATOM 334 N ARG 63 15.143 21.582 12.937 1.00 0.00 ATOM 335 CA ARG 63 14.512 21.642 14.270 1.00 0.00 ATOM 336 CB ARG 63 15.537 21.899 15.368 1.00 0.00 ATOM 337 CG ARG 63 16.065 20.601 15.994 1.00 0.00 ATOM 338 CD ARG 63 16.816 19.793 14.995 1.00 0.00 ATOM 339 NE ARG 63 17.365 18.636 15.705 1.00 0.00 ATOM 340 CZ ARG 63 18.305 17.860 15.183 1.00 0.00 ATOM 341 NH1 ARG 63 18.721 18.022 13.935 1.00 0.00 ATOM 342 NH2 ARG 63 18.784 16.875 15.921 1.00 0.00 ATOM 343 O ARG 63 13.641 23.777 13.616 1.00 0.00 ATOM 344 C ARG 63 13.431 22.714 14.214 1.00 0.00 ATOM 345 N ILE 64 12.270 22.396 14.793 1.00 0.00 ATOM 346 CA ILE 64 11.088 23.249 14.674 1.00 0.00 ATOM 347 CB ILE 64 9.812 22.433 14.467 1.00 0.00 ATOM 348 CG1 ILE 64 9.922 21.493 13.255 1.00 0.00 ATOM 349 CG2 ILE 64 8.595 23.424 14.407 1.00 0.00 ATOM 350 CD1 ILE 64 8.767 20.501 13.069 1.00 0.00 ATOM 351 O ILE 64 10.839 23.725 17.016 1.00 0.00 ATOM 352 C ILE 64 11.009 24.155 15.881 1.00 0.00 ATOM 353 N VAL 65 11.112 25.464 15.638 1.00 0.00 ATOM 354 CA VAL 65 11.154 26.477 16.663 1.00 0.00 ATOM 355 CB VAL 65 12.039 27.692 16.213 1.00 0.00 ATOM 356 CG1 VAL 65 12.037 28.761 17.300 1.00 0.00 ATOM 357 CG2 VAL 65 13.438 27.216 15.883 1.00 0.00 ATOM 358 O VAL 65 9.471 27.262 18.181 1.00 0.00 ATOM 359 C VAL 65 9.752 27.005 17.013 1.00 0.00 ATOM 360 N THR 66 8.918 27.150 15.987 1.00 0.00 ATOM 361 CA THR 66 7.521 27.508 16.151 1.00 0.00 ATOM 362 CB THR 66 7.257 29.045 15.903 1.00 0.00 ATOM 363 CG2 THR 66 8.177 29.932 16.813 1.00 0.00 ATOM 364 OG1 THR 66 7.403 29.349 14.521 1.00 0.00 ATOM 365 O THR 66 7.020 26.383 14.069 1.00 0.00 ATOM 366 C THR 66 6.621 26.730 15.198 1.00 0.00 ATOM 367 N ILE 67 5.396 26.482 15.669 1.00 0.00 ATOM 368 CA ILE 67 4.351 25.888 14.903 1.00 0.00 ATOM 369 CB ILE 67 4.031 24.466 15.354 1.00 0.00 ATOM 370 CG1 ILE 67 5.251 23.545 15.176 1.00 0.00 ATOM 371 CG2 ILE 67 2.802 23.922 14.574 1.00 0.00 ATOM 372 CD1 ILE 67 5.132 22.143 15.939 1.00 0.00 ATOM 373 O ILE 67 2.712 27.030 16.244 1.00 0.00 ATOM 374 C ILE 67 3.067 26.745 15.098 1.00 0.00 ATOM 375 N CYS 68 2.409 27.110 14.011 1.00 0.00 ATOM 376 CA CYS 68 1.150 27.886 14.083 1.00 0.00 ATOM 377 CB CYS 68 0.042 27.036 14.627 1.00 0.00 ATOM 378 SG CYS 68 -0.367 25.723 13.442 1.00 0.00 ATOM 379 O CYS 68 0.406 29.454 15.794 1.00 0.00 ATOM 380 C CYS 68 1.302 29.112 14.979 1.00 0.00 ATOM 381 N GLY 69 2.458 29.722 14.848 1.00 0.00 ATOM 382 CA GLY 69 2.796 30.959 15.534 1.00 0.00 ATOM 383 O GLY 69 3.128 31.925 17.675 1.00 0.00 ATOM 384 C GLY 69 3.087 30.878 17.025 1.00 0.00 ATOM 385 N THR 70 3.344 29.672 17.568 1.00 0.00 ATOM 386 CA THR 70 3.624 29.486 18.948 1.00 0.00 ATOM 387 CB THR 70 2.481 28.764 19.673 1.00 0.00 ATOM 388 CG2 THR 70 1.148 29.449 19.384 1.00 0.00 ATOM 389 OG1 THR 70 2.377 27.411 19.201 1.00 0.00 ATOM 390 O THR 70 5.207 27.825 18.274 1.00 0.00 ATOM 391 C THR 70 4.916 28.702 19.086 1.00 0.00 ATOM 392 N SER 71 5.633 28.984 20.162 1.00 0.00 ATOM 393 CA SER 71 6.894 28.330 20.435 1.00 0.00 ATOM 394 CB SER 71 7.576 28.989 21.622 1.00 0.00 ATOM 395 OG SER 71 8.831 28.398 21.838 1.00 0.00 ATOM 396 O SER 71 5.835 26.451 21.434 1.00 0.00 ATOM 397 C SER 71 6.752 26.833 20.721 1.00 0.00 ATOM 398 N THR 72 7.725 26.041 20.255 1.00 0.00 ATOM 399 CA THR 72 7.761 24.617 20.619 1.00 0.00 ATOM 400 CB THR 72 8.415 23.774 19.533 1.00 0.00 ATOM 401 CG2 THR 72 7.632 23.853 18.215 1.00 0.00 ATOM 402 OG1 THR 72 9.792 24.164 19.377 1.00 0.00 ATOM 403 O THR 72 8.541 23.190 22.391 1.00 0.00 ATOM 404 C THR 72 8.479 24.347 21.948 1.00 0.00 ATOM 405 N GLU 73 9.103 25.364 22.519 1.00 0.00 ATOM 406 CA GLU 73 9.668 25.298 23.885 1.00 0.00 ATOM 407 CB GLU 73 9.985 26.701 24.438 1.00 0.00 ATOM 408 CG GLU 73 11.399 27.129 24.213 1.00 0.00 ATOM 409 CD GLU 73 12.383 26.291 24.993 1.00 0.00 ATOM 410 OE1 GLU 73 12.246 26.212 26.243 1.00 0.00 ATOM 411 OE2 GLU 73 13.275 25.703 24.337 1.00 0.00 ATOM 412 O GLU 73 7.524 25.149 25.013 1.00 0.00 ATOM 413 C GLU 73 8.654 24.664 24.821 1.00 0.00 ATOM 414 N GLY 74 9.051 23.555 25.402 1.00 0.00 ATOM 415 CA GLY 74 8.195 22.943 26.388 1.00 0.00 ATOM 416 O GLY 74 6.485 21.318 26.651 1.00 0.00 ATOM 417 C GLY 74 7.161 21.994 25.846 1.00 0.00 ATOM 418 N MET 75 7.057 21.871 24.509 1.00 0.00 ATOM 419 CA MET 75 6.129 20.946 23.913 1.00 0.00 ATOM 420 CB MET 75 5.859 21.238 22.420 1.00 0.00 ATOM 421 CG MET 75 4.804 22.225 22.133 1.00 0.00 ATOM 422 SD MET 75 4.496 22.348 20.357 1.00 0.00 ATOM 423 CE MET 75 3.686 23.970 20.414 1.00 0.00 ATOM 424 O MET 75 7.777 19.243 23.629 1.00 0.00 ATOM 425 C MET 75 6.624 19.514 23.958 1.00 0.00 ATOM 426 N THR 76 5.712 18.604 24.292 1.00 0.00 ATOM 427 CA THR 76 5.971 17.189 24.116 1.00 0.00 ATOM 428 CB THR 76 5.048 16.341 24.997 1.00 0.00 ATOM 429 CG2 THR 76 5.194 16.743 26.455 1.00 0.00 ATOM 430 OG1 THR 76 3.694 16.425 24.507 1.00 0.00 ATOM 431 O THR 76 5.148 17.470 21.868 1.00 0.00 ATOM 432 C THR 76 5.732 16.739 22.675 1.00 0.00 ATOM 433 N HIS 77 6.147 15.522 22.336 1.00 0.00 ATOM 434 CA HIS 77 5.983 15.032 20.994 1.00 0.00 ATOM 435 CB HIS 77 6.635 13.661 20.892 1.00 0.00 ATOM 436 CG HIS 77 6.552 13.060 19.546 1.00 0.00 ATOM 437 CD2 HIS 77 7.040 13.453 18.357 1.00 0.00 ATOM 438 ND1 HIS 77 5.817 11.925 19.306 1.00 0.00 ATOM 439 CE1 HIS 77 5.899 11.614 18.032 1.00 0.00 ATOM 440 NE2 HIS 77 6.657 12.504 17.436 1.00 0.00 ATOM 441 O HIS 77 4.056 15.446 19.605 1.00 0.00 ATOM 442 C HIS 77 4.490 14.972 20.679 1.00 0.00 ATOM 443 N THR 78 3.687 14.444 21.638 1.00 0.00 ATOM 444 CA THR 78 2.194 14.308 21.468 1.00 0.00 ATOM 445 CB THR 78 1.560 13.594 22.631 1.00 0.00 ATOM 446 CG2 THR 78 0.052 13.497 22.485 1.00 0.00 ATOM 447 OG1 THR 78 2.092 12.273 22.659 1.00 0.00 ATOM 448 O THR 78 0.740 15.799 20.343 1.00 0.00 ATOM 449 C THR 78 1.549 15.664 21.240 1.00 0.00 ATOM 450 N GLN 79 1.926 16.652 22.009 1.00 0.00 ATOM 451 CA GLN 79 1.394 18.012 21.819 1.00 0.00 ATOM 452 CB GLN 79 1.967 18.936 22.885 1.00 0.00 ATOM 453 CG GLN 79 1.384 18.701 24.260 1.00 0.00 ATOM 454 CD GLN 79 2.069 19.450 25.405 1.00 0.00 ATOM 455 OE1 GLN 79 3.235 19.818 25.332 1.00 0.00 ATOM 456 NE2 GLN 79 1.350 19.612 26.504 1.00 0.00 ATOM 457 O GLN 79 0.757 19.179 19.775 1.00 0.00 ATOM 458 C GLN 79 1.660 18.567 20.404 1.00 0.00 ATOM 459 N ALA 80 2.914 18.454 19.949 1.00 0.00 ATOM 460 CA ALA 80 3.261 18.961 18.609 1.00 0.00 ATOM 461 CB ALA 80 4.778 18.829 18.381 1.00 0.00 ATOM 462 O ALA 80 2.042 18.792 16.536 1.00 0.00 ATOM 463 C ALA 80 2.521 18.213 17.512 1.00 0.00 ATOM 464 N VAL 81 2.445 16.888 17.631 1.00 0.00 ATOM 465 CA VAL 81 1.773 16.099 16.630 1.00 0.00 ATOM 466 CB VAL 81 1.925 14.594 16.926 1.00 0.00 ATOM 467 CG1 VAL 81 0.974 13.796 16.060 1.00 0.00 ATOM 468 CG2 VAL 81 3.435 14.183 16.745 1.00 0.00 ATOM 469 O VAL 81 -0.292 16.605 15.518 1.00 0.00 ATOM 470 C VAL 81 0.283 16.442 16.600 1.00 0.00 ATOM 471 N ASN 82 -0.332 16.556 17.757 1.00 0.00 ATOM 472 CA ASN 82 -1.781 16.858 17.817 1.00 0.00 ATOM 473 CB ASN 82 -2.348 16.816 19.233 1.00 0.00 ATOM 474 CG ASN 82 -2.509 15.398 19.771 1.00 0.00 ATOM 475 ND2 ASN 82 -2.676 15.284 21.093 1.00 0.00 ATOM 476 OD1 ASN 82 -2.483 14.429 19.013 1.00 0.00 ATOM 477 O ASN 82 -3.087 18.398 16.519 1.00 0.00 ATOM 478 C ASN 82 -2.066 18.230 17.193 1.00 0.00 ATOM 479 N LEU 83 -1.185 19.201 17.431 1.00 0.00 ATOM 480 CA LEU 83 -1.338 20.529 16.823 1.00 0.00 ATOM 481 CB LEU 83 -0.263 21.450 17.388 1.00 0.00 ATOM 482 CG LEU 83 -0.366 22.936 17.195 1.00 0.00 ATOM 483 CD1 LEU 83 -1.691 23.431 17.836 1.00 0.00 ATOM 484 CD2 LEU 83 0.906 23.561 17.875 1.00 0.00 ATOM 485 O LEU 83 -2.143 21.047 14.603 1.00 0.00 ATOM 486 C LEU 83 -1.280 20.496 15.289 1.00 0.00 ATOM 487 N LEU 84 -0.312 19.761 14.743 1.00 0.00 ATOM 488 CA LEU 84 -0.112 19.661 13.331 1.00 0.00 ATOM 489 CB LEU 84 1.271 19.097 12.999 1.00 0.00 ATOM 490 CG LEU 84 2.403 20.075 13.316 1.00 0.00 ATOM 491 CD1 LEU 84 3.766 19.364 13.236 1.00 0.00 ATOM 492 CD2 LEU 84 2.376 21.311 12.365 1.00 0.00 ATOM 493 O LEU 84 -1.632 19.171 11.582 1.00 0.00 ATOM 494 C LEU 84 -1.204 18.835 12.673 1.00 0.00 ATOM 495 N LYS 85 -1.661 17.771 13.339 1.00 0.00 ATOM 496 CA LYS 85 -2.741 16.962 12.754 1.00 0.00 ATOM 497 CB LYS 85 -2.923 15.683 13.549 1.00 0.00 ATOM 498 CG LYS 85 -1.806 14.691 13.225 1.00 0.00 ATOM 499 CD LYS 85 -2.111 13.332 13.794 1.00 0.00 ATOM 500 CE LYS 85 -1.132 12.281 13.239 1.00 0.00 ATOM 501 NZ LYS 85 -1.695 10.909 13.400 1.00 0.00 ATOM 502 O LYS 85 -4.829 17.566 11.783 1.00 0.00 ATOM 503 C LYS 85 -4.058 17.738 12.696 1.00 0.00 ATOM 504 N ASN 86 -4.295 18.546 13.713 1.00 0.00 ATOM 505 CA ASN 86 -5.565 19.262 13.857 1.00 0.00 ATOM 506 CB ASN 86 -5.768 19.621 15.331 1.00 0.00 ATOM 507 CG ASN 86 -7.135 20.255 15.626 1.00 0.00 ATOM 508 ND2 ASN 86 -7.119 21.537 15.981 1.00 0.00 ATOM 509 OD1 ASN 86 -8.174 19.593 15.585 1.00 0.00 ATOM 510 O ASN 86 -6.681 20.863 12.468 1.00 0.00 ATOM 511 C ASN 86 -5.611 20.478 12.918 1.00 0.00 ATOM 512 N ALA 87 -4.461 21.072 12.613 1.00 0.00 ATOM 513 CA ALA 87 -4.443 22.315 11.829 1.00 0.00 ATOM 514 CB ALA 87 -3.061 22.875 11.854 1.00 0.00 ATOM 515 O ALA 87 -4.808 21.106 9.782 1.00 0.00 ATOM 516 C ALA 87 -4.927 22.164 10.399 1.00 0.00 ATOM 517 N SER 88 -5.461 23.232 9.813 1.00 0.00 ATOM 518 CA SER 88 -5.698 23.247 8.352 1.00 0.00 ATOM 519 CB SER 88 -7.042 22.588 7.971 1.00 0.00 ATOM 520 OG SER 88 -8.045 23.546 7.723 1.00 0.00 ATOM 521 O SER 88 -5.092 25.503 8.620 1.00 0.00 ATOM 522 C SER 88 -5.564 24.687 7.873 1.00 0.00 ATOM 523 N GLY 89 -5.867 24.994 6.627 1.00 0.00 ATOM 524 CA GLY 89 -5.642 26.369 6.132 1.00 0.00 ATOM 525 O GLY 89 -3.411 25.617 5.689 1.00 0.00 ATOM 526 C GLY 89 -4.141 26.553 6.021 1.00 0.00 ATOM 527 N SER 90 -3.666 27.735 6.372 1.00 0.00 ATOM 528 CA SER 90 -2.216 28.010 6.370 1.00 0.00 ATOM 529 CB SER 90 -1.955 29.490 6.113 1.00 0.00 ATOM 530 OG SER 90 -2.701 29.945 4.996 1.00 0.00 ATOM 531 O SER 90 -1.928 28.126 8.752 1.00 0.00 ATOM 532 C SER 90 -1.557 27.634 7.689 1.00 0.00 ATOM 533 N ILE 91 -0.546 26.780 7.592 1.00 0.00 ATOM 534 CA ILE 91 0.200 26.262 8.717 1.00 0.00 ATOM 535 CB ILE 91 0.220 24.713 8.676 1.00 0.00 ATOM 536 CG1 ILE 91 -1.233 24.169 8.736 1.00 0.00 ATOM 537 CG2 ILE 91 1.076 24.145 9.803 1.00 0.00 ATOM 538 CD1 ILE 91 -1.356 22.671 8.599 1.00 0.00 ATOM 539 O ILE 91 2.370 26.503 7.732 1.00 0.00 ATOM 540 C ILE 91 1.618 26.853 8.629 1.00 0.00 ATOM 541 N GLU 92 1.922 27.767 9.540 1.00 0.00 ATOM 542 CA GLU 92 3.224 28.376 9.672 1.00 0.00 ATOM 543 CB GLU 92 3.122 29.754 10.362 1.00 0.00 ATOM 544 CG GLU 92 4.523 30.377 10.721 1.00 0.00 ATOM 545 CD GLU 92 4.853 30.547 12.256 1.00 0.00 ATOM 546 OE1 GLU 92 4.889 29.544 13.120 1.00 0.00 ATOM 547 OE2 GLU 92 5.136 31.757 12.538 1.00 0.00 ATOM 548 O GLU 92 3.707 26.960 11.531 1.00 0.00 ATOM 549 C GLU 92 4.135 27.514 10.528 1.00 0.00 ATOM 550 N MET 93 5.385 27.400 10.096 1.00 0.00 ATOM 551 CA MET 93 6.420 26.719 10.827 1.00 0.00 ATOM 552 CB MET 93 6.630 25.344 10.171 1.00 0.00 ATOM 553 CG MET 93 7.537 24.488 10.863 1.00 0.00 ATOM 554 SD MET 93 7.318 22.813 10.156 1.00 0.00 ATOM 555 CE MET 93 5.781 22.360 10.867 1.00 0.00 ATOM 556 O MET 93 7.899 28.115 9.609 1.00 0.00 ATOM 557 C MET 93 7.681 27.565 10.679 1.00 0.00 ATOM 558 N GLN 94 8.459 27.750 11.744 1.00 0.00 ATOM 559 CA GLN 94 9.800 28.300 11.634 1.00 0.00 ATOM 560 CB GLN 94 9.960 29.512 12.515 1.00 0.00 ATOM 561 CG GLN 94 8.953 30.584 12.042 1.00 0.00 ATOM 562 CD GLN 94 8.975 31.789 12.934 1.00 0.00 ATOM 563 OE1 GLN 94 8.509 31.755 14.073 1.00 0.00 ATOM 564 NE2 GLN 94 9.503 32.872 12.416 1.00 0.00 ATOM 565 O GLN 94 10.503 26.608 13.123 1.00 0.00 ATOM 566 C GLN 94 10.744 27.238 12.089 1.00 0.00 ATOM 567 N VAL 95 11.845 27.110 11.359 1.00 0.00 ATOM 568 CA VAL 95 12.843 26.093 11.651 1.00 0.00 ATOM 569 CB VAL 95 12.738 24.925 10.645 1.00 0.00 ATOM 570 CG1 VAL 95 11.334 24.328 10.652 1.00 0.00 ATOM 571 CG2 VAL 95 13.103 25.314 9.215 1.00 0.00 ATOM 572 O VAL 95 14.479 27.730 11.086 1.00 0.00 ATOM 573 C VAL 95 14.238 26.676 11.664 1.00 0.00 ATOM 574 N VAL 96 15.132 25.944 12.339 1.00 0.00 ATOM 575 CA VAL 96 16.589 26.118 12.239 1.00 0.00 ATOM 576 CB VAL 96 17.211 26.535 13.584 1.00 0.00 ATOM 577 CG1 VAL 96 16.717 27.974 13.933 1.00 0.00 ATOM 578 CG2 VAL 96 16.899 25.564 14.699 1.00 0.00 ATOM 579 O VAL 96 16.684 23.722 11.890 1.00 0.00 ATOM 580 C VAL 96 17.213 24.824 11.686 1.00 0.00 ATOM 581 N ALA 97 18.306 24.977 10.945 1.00 0.00 ATOM 582 CA ALA 97 19.060 23.799 10.430 1.00 0.00 ATOM 583 CB ALA 97 20.174 24.287 9.475 1.00 0.00 ATOM 584 O ALA 97 20.143 23.610 12.561 1.00 0.00 ATOM 585 C ALA 97 19.659 23.032 11.598 1.00 0.00 ATOM 586 N GLY 98 19.727 21.704 11.492 1.00 0.00 ATOM 587 CA GLY 98 20.368 20.920 12.493 1.00 0.00 ATOM 588 O GLY 98 22.528 20.865 13.566 1.00 0.00 ATOM 589 C GLY 98 21.897 21.084 12.521 1.00 0.00 ATOM 590 N GLY 99 22.477 21.382 11.366 1.00 0.00 ATOM 591 CA GLY 99 23.882 21.757 11.298 1.00 0.00 ATOM 592 O GLY 99 26.027 20.907 11.746 1.00 0.00 ATOM 593 C GLY 99 24.845 20.640 11.534 1.00 0.00 ATOM 594 N ASP 100 24.348 19.400 11.502 1.00 0.00 ATOM 595 CA ASP 100 25.187 18.206 11.786 1.00 0.00 ATOM 596 CB ASP 100 26.282 18.031 10.721 1.00 0.00 ATOM 597 CG ASP 100 25.948 16.990 9.634 1.00 0.00 ATOM 598 OD1 ASP 100 24.790 16.551 9.475 1.00 0.00 ATOM 599 OD2 ASP 100 26.888 16.620 8.898 1.00 0.00 ATOM 600 O ASP 100 26.927 17.835 13.446 1.00 0.00 ATOM 601 C ASP 100 25.814 18.325 13.186 1.00 0.00 ATOM 602 N VAL 101 25.096 18.963 14.103 1.00 0.00 ATOM 603 CA VAL 101 25.598 19.192 15.439 1.00 0.00 ATOM 604 CB VAL 101 24.877 20.370 16.157 1.00 0.00 ATOM 605 CG1 VAL 101 25.205 20.345 17.657 1.00 0.00 ATOM 606 CG2 VAL 101 25.259 21.725 15.548 1.00 0.00 ATOM 607 O VAL 101 26.419 17.332 16.773 1.00 0.00 ATOM 608 C VAL 101 25.437 17.882 16.257 1.00 0.00 ATOM 609 N SER 102 24.216 17.356 16.333 1.00 0.00 ATOM 610 CA SER 102 23.961 16.175 17.184 1.00 0.00 ATOM 611 CB SER 102 22.663 16.385 17.968 1.00 0.00 ATOM 612 OG SER 102 21.616 16.704 17.084 1.00 0.00 ATOM 613 O SER 102 23.591 13.798 16.999 1.00 0.00 ATOM 614 C SER 102 23.874 14.856 16.408 1.00 0.00 ATOM 615 N GLU 103 24.099 14.940 15.112 1.00 0.00 ATOM 616 CA GLU 103 24.156 13.778 14.205 1.00 0.00 ATOM 617 CB GLU 103 22.751 13.337 13.800 1.00 0.00 ATOM 618 CG GLU 103 21.978 14.369 12.982 1.00 0.00 ATOM 619 CD GLU 103 21.275 15.407 13.844 1.00 0.00 ATOM 620 OE1 GLU 103 20.804 15.069 14.967 1.00 0.00 ATOM 621 OE2 GLU 103 21.209 16.581 13.397 1.00 0.00 ATOM 622 O GLU 103 25.211 15.416 12.821 1.00 0.00 ATOM 623 C GLU 103 24.950 14.207 13.019 1.00 0.00 ATOM 624 N THR 104 25.319 13.223 12.209 1.00 0.00 ATOM 625 CA THR 104 26.122 13.466 11.012 1.00 0.00 ATOM 626 CB THR 104 27.544 12.920 11.149 1.00 0.00 ATOM 627 CG2 THR 104 28.306 13.190 9.886 1.00 0.00 ATOM 628 OG1 THR 104 28.169 13.481 12.300 1.00 0.00 ATOM 629 O THR 104 25.221 11.642 9.823 1.00 0.00 ATOM 630 C THR 104 25.518 12.815 9.805 1.00 0.00 ATOM 631 N SER 105 25.376 13.601 8.732 1.00 0.00 ATOM 632 CA SER 105 24.774 13.134 7.504 1.00 0.00 ATOM 633 CB SER 105 24.249 14.308 6.689 1.00 0.00 ATOM 634 OG SER 105 23.160 14.876 7.403 1.00 0.00 ATOM 635 O SER 105 26.889 12.802 6.470 1.00 0.00 ATOM 636 C SER 105 25.792 12.324 6.723 1.00 0.00 ATOM 637 N VAL 106 25.438 11.086 6.395 1.00 0.00 ATOM 638 CA VAL 106 26.274 10.240 5.553 1.00 0.00 ATOM 639 CB VAL 106 26.874 9.073 6.388 1.00 0.00 ATOM 640 CG1 VAL 106 27.679 9.627 7.513 1.00 0.00 ATOM 641 CG2 VAL 106 25.794 8.168 6.987 1.00 0.00 ATOM 642 O VAL 106 24.252 9.928 4.164 1.00 0.00 ATOM 643 C VAL 106 25.503 9.776 4.273 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1853948917.pdb -s /var/tmp/to_scwrl_1853948917.seq -o /var/tmp/from_scwrl_1853948917.pdb > /var/tmp/scwrl_1853948917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853948917.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 # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -86.413 # GDT_score(maxd=8.000,maxw=2.900)= -89.412 # GDT_score(maxd=8.000,maxw=3.200)= -86.886 # GDT_score(maxd=8.000,maxw=3.500)= -83.903 # GDT_score(maxd=10.000,maxw=3.800)= -85.421 # GDT_score(maxd=10.000,maxw=4.000)= -83.385 # GDT_score(maxd=10.000,maxw=4.200)= -81.269 # GDT_score(maxd=12.000,maxw=4.300)= -84.041 # GDT_score(maxd=12.000,maxw=4.500)= -81.990 # GDT_score(maxd=12.000,maxw=4.700)= -79.897 # GDT_score(maxd=14.000,maxw=5.200)= -77.893 # GDT_score(maxd=14.000,maxw=5.500)= -74.758 # command:# request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2018555731.pdb -s /var/tmp/to_scwrl_2018555731.seq -o /var/tmp/from_scwrl_2018555731.pdb > /var/tmp/scwrl_2018555731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2018555731.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 103 # 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 = -85.870 # GDT_score(maxd=8.000,maxw=2.900)= -88.883 # GDT_score(maxd=8.000,maxw=3.200)= -86.349 # GDT_score(maxd=8.000,maxw=3.500)= -83.297 # GDT_score(maxd=10.000,maxw=3.800)= -84.887 # GDT_score(maxd=10.000,maxw=4.000)= -82.877 # GDT_score(maxd=10.000,maxw=4.200)= -80.750 # GDT_score(maxd=12.000,maxw=4.300)= -83.563 # GDT_score(maxd=12.000,maxw=4.500)= -81.490 # GDT_score(maxd=12.000,maxw=4.700)= -79.349 # GDT_score(maxd=14.000,maxw=5.200)= -77.373 # GDT_score(maxd=14.000,maxw=5.500)= -74.248 # command:# request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2124046357.pdb -s /var/tmp/to_scwrl_2124046357.seq -o /var/tmp/from_scwrl_2124046357.pdb > /var/tmp/scwrl_2124046357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2124046357.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 99 # 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 = -85.326 # GDT_score(maxd=8.000,maxw=2.900)= -89.569 # GDT_score(maxd=8.000,maxw=3.200)= -86.832 # GDT_score(maxd=8.000,maxw=3.500)= -83.682 # GDT_score(maxd=10.000,maxw=3.800)= -85.186 # GDT_score(maxd=10.000,maxw=4.000)= -83.111 # GDT_score(maxd=10.000,maxw=4.200)= -80.909 # GDT_score(maxd=12.000,maxw=4.300)= -83.746 # GDT_score(maxd=12.000,maxw=4.500)= -81.592 # GDT_score(maxd=12.000,maxw=4.700)= -79.374 # GDT_score(maxd=14.000,maxw=5.200)= -77.350 # GDT_score(maxd=14.000,maxw=5.500)= -74.147 # command:# request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2095881166.pdb -s /var/tmp/to_scwrl_2095881166.seq -o /var/tmp/from_scwrl_2095881166.pdb > /var/tmp/scwrl_2095881166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095881166.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 0.902 # GDT_score = -81.522 # GDT_score(maxd=8.000,maxw=2.900)= -84.985 # GDT_score(maxd=8.000,maxw=3.200)= -82.765 # GDT_score(maxd=8.000,maxw=3.500)= -79.904 # GDT_score(maxd=10.000,maxw=3.800)= -80.982 # GDT_score(maxd=10.000,maxw=4.000)= -78.829 # GDT_score(maxd=10.000,maxw=4.200)= -76.585 # GDT_score(maxd=12.000,maxw=4.300)= -79.132 # GDT_score(maxd=12.000,maxw=4.500)= -76.983 # GDT_score(maxd=12.000,maxw=4.700)= -74.811 # GDT_score(maxd=14.000,maxw=5.200)= -72.647 # GDT_score(maxd=14.000,maxw=5.500)= -69.685 # command:# request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_258978771.pdb -s /var/tmp/to_scwrl_258978771.seq -o /var/tmp/from_scwrl_258978771.pdb > /var/tmp/scwrl_258978771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_258978771.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 T0366.try1-opt2.pdb looking for model 1 # Found a chain break before 100 # 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 = -86.413 # GDT_score(maxd=8.000,maxw=2.900)= -89.896 # GDT_score(maxd=8.000,maxw=3.200)= -87.357 # GDT_score(maxd=8.000,maxw=3.500)= -84.253 # GDT_score(maxd=10.000,maxw=3.800)= -85.705 # GDT_score(maxd=10.000,maxw=4.000)= -83.683 # GDT_score(maxd=10.000,maxw=4.200)= -81.534 # GDT_score(maxd=12.000,maxw=4.300)= -84.307 # GDT_score(maxd=12.000,maxw=4.500)= -82.222 # GDT_score(maxd=12.000,maxw=4.700)= -80.056 # GDT_score(maxd=14.000,maxw=5.200)= -78.023 # GDT_score(maxd=14.000,maxw=5.500)= -74.858 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0366.try1-real.pdb for output Error: Couldn't open file T0366.try1-real.pdb for output superimposing iter= 0 total_weight= 1011 rmsd (weighted)= 2.71788 (unweighted)= 21.5893 superimposing iter= 1 total_weight= 3553.85 rmsd (weighted)= 0.990585 (unweighted)= 21.5011 superimposing iter= 2 total_weight= 1314.16 rmsd (weighted)= 0.676769 (unweighted)= 21.4971 superimposing iter= 3 total_weight= 801.528 rmsd (weighted)= 0.600774 (unweighted)= 21.4991 superimposing iter= 4 total_weight= 695.721 rmsd (weighted)= 0.574465 (unweighted)= 21.5001 superimposing iter= 5 total_weight= 666.573 rmsd (weighted)= 0.561904 (unweighted)= 21.5001 EXPDTA T0366.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0366.try1-opt2.pdb ATOM 1 N THR A 1 23.867 19.742 9.297 1.00 0.00 ATOM 2 CA THR A 1 24.792 18.639 9.077 1.00 0.00 ATOM 3 CB THR A 1 25.269 18.570 7.623 1.00 0.00 ATOM 4 CG2 THR A 1 26.292 17.470 7.469 1.00 0.00 ATOM 5 OG1 THR A 1 24.140 18.296 6.793 1.00 0.00 ATOM 6 O THR A 1 26.432 17.773 10.611 1.00 0.00 ATOM 7 C THR A 1 25.982 18.761 10.026 1.00 0.00 ATOM 8 N GLU A 2 26.474 19.991 10.164 1.00 0.00 ATOM 9 CA GLU A 2 27.615 20.262 11.030 1.00 0.00 ATOM 10 CB GLU A 2 28.707 21.023 10.304 1.00 0.00 ATOM 11 CG GLU A 2 29.943 21.252 11.162 1.00 0.00 ATOM 12 CD GLU A 2 31.009 22.043 10.437 1.00 0.00 ATOM 13 OE1 GLU A 2 30.906 22.167 9.206 1.00 0.00 ATOM 14 OE2 GLU A 2 31.950 22.539 11.095 1.00 0.00 ATOM 15 O GLU A 2 26.215 22.049 11.873 1.00 0.00 ATOM 16 C GLU A 2 27.220 21.349 12.038 1.00 0.00 ATOM 17 N ASN A 3 27.914 21.313 13.276 1.00 0.00 ATOM 18 CA ASN A 3 27.592 22.357 14.229 1.00 0.00 ATOM 19 CB ASN A 3 28.504 22.225 15.423 1.00 0.00 ATOM 20 CG ASN A 3 28.233 23.284 16.477 1.00 0.00 ATOM 21 ND2 ASN A 3 27.112 23.154 17.173 1.00 0.00 ATOM 22 OD1 ASN A 3 29.019 24.215 16.650 1.00 0.00 ATOM 23 O ASN A 3 26.918 24.640 13.865 1.00 0.00 ATOM 24 C ASN A 3 27.741 23.759 13.623 1.00 0.00 ATOM 25 N LEU A 4 28.774 23.969 12.828 1.00 0.00 ATOM 26 CA LEU A 4 28.960 25.292 12.241 1.00 0.00 ATOM 27 CB LEU A 4 30.341 25.383 11.600 1.00 0.00 ATOM 28 CG LEU A 4 31.475 25.403 12.607 1.00 0.00 ATOM 29 CD1 LEU A 4 32.808 25.381 11.864 1.00 0.00 ATOM 30 CD2 LEU A 4 31.415 26.611 13.563 1.00 0.00 ATOM 31 O LEU A 4 27.399 26.681 11.102 1.00 0.00 ATOM 32 C LEU A 4 27.869 25.555 11.236 1.00 0.00 ATOM 33 N TYR A 5 27.488 24.548 10.442 1.00 0.00 ATOM 34 CA TYR A 5 26.437 24.750 9.467 1.00 0.00 ATOM 35 CB TYR A 5 26.111 23.508 8.695 1.00 0.00 ATOM 36 CG TYR A 5 25.137 23.759 7.558 1.00 0.00 ATOM 37 CD1 TYR A 5 25.564 24.278 6.342 1.00 0.00 ATOM 38 CD2 TYR A 5 23.779 23.494 7.716 1.00 0.00 ATOM 39 CE1 TYR A 5 24.654 24.510 5.312 1.00 0.00 ATOM 40 CE2 TYR A 5 22.874 23.729 6.713 1.00 0.00 ATOM 41 CZ TYR A 5 23.310 24.218 5.505 1.00 0.00 ATOM 42 OH TYR A 5 22.414 24.462 4.494 1.00 0.00 ATOM 43 O TYR A 5 24.463 26.105 9.768 1.00 0.00 ATOM 44 C TYR A 5 25.117 25.111 10.146 1.00 0.00 ATOM 45 N PHE A 6 24.648 24.300 11.086 1.00 0.00 ATOM 46 CA PHE A 6 23.375 24.614 11.714 1.00 0.00 ATOM 47 CB PHE A 6 22.882 23.451 12.563 1.00 0.00 ATOM 48 CG PHE A 6 22.432 22.262 11.737 1.00 0.00 ATOM 49 CD1 PHE A 6 21.419 22.399 10.823 1.00 0.00 ATOM 50 CD2 PHE A 6 23.004 20.992 11.899 1.00 0.00 ATOM 51 CE1 PHE A 6 21.027 21.347 10.023 1.00 0.00 ATOM 52 CE2 PHE A 6 22.609 19.938 11.089 1.00 0.00 ATOM 53 CZ PHE A 6 21.603 20.105 10.163 1.00 0.00 ATOM 54 O PHE A 6 22.500 26.650 12.586 1.00 0.00 ATOM 55 C PHE A 6 23.497 25.936 12.498 1.00 0.00 ATOM 56 N GLN A 7 24.668 26.243 13.050 1.00 0.00 ATOM 57 CA GLN A 7 24.870 27.535 13.694 1.00 0.00 ATOM 58 CB GLN A 7 26.255 27.631 14.285 1.00 0.00 ATOM 59 CG GLN A 7 26.557 28.985 14.854 1.00 0.00 ATOM 60 CD GLN A 7 27.903 29.018 15.503 1.00 0.00 ATOM 61 OE1 GLN A 7 28.949 28.888 14.811 1.00 0.00 ATOM 62 NE2 GLN A 7 27.915 29.252 16.812 1.00 0.00 ATOM 63 O GLN A 7 24.148 29.754 13.024 1.00 0.00 ATOM 64 C GLN A 7 24.702 28.695 12.714 1.00 0.00 ATOM 65 N SER A 8 25.258 28.506 11.446 1.00 0.00 ATOM 66 CA SER A 8 25.152 29.540 10.403 1.00 0.00 ATOM 67 CB SER A 8 26.046 29.158 9.221 1.00 0.00 ATOM 68 OG SER A 8 27.409 29.115 9.604 1.00 0.00 ATOM 69 O SER A 8 23.326 30.744 9.418 1.00 0.00 ATOM 70 C SER A 8 23.714 29.692 9.919 1.00 0.00 ATOM 71 N MET A 9 22.940 28.607 10.066 1.00 0.00 ATOM 72 CA MET A 9 21.531 28.569 9.637 1.00 0.00 ATOM 73 CB MET A 9 21.045 27.121 9.526 1.00 0.00 ATOM 74 CG MET A 9 21.756 26.309 8.456 1.00 0.00 ATOM 75 SD MET A 9 21.484 26.955 6.794 1.00 0.00 ATOM 76 CE MET A 9 19.769 26.509 6.535 1.00 0.00 ATOM 77 O MET A 9 20.579 28.964 11.806 1.00 0.00 ATOM 78 C MET A 9 20.609 29.291 10.617 1.00 0.00 ATOM 79 N GLY A 10 19.854 30.247 10.115 1.00 0.00 ATOM 80 CA GLY A 10 19.009 31.082 10.968 1.00 0.00 ATOM 81 O GLY A 10 17.201 29.676 10.255 1.00 0.00 ATOM 82 C GLY A 10 17.563 30.606 10.973 1.00 0.00 ATOM 83 N LEU A 11 16.739 31.255 11.795 1.00 0.00 ATOM 84 CA LEU A 11 15.338 30.903 11.902 1.00 0.00 ATOM 85 CB LEU A 11 14.670 31.693 13.029 1.00 0.00 ATOM 86 CG LEU A 11 15.141 31.377 14.450 1.00 0.00 ATOM 87 CD1 LEU A 11 14.492 32.318 15.453 1.00 0.00 ATOM 88 CD2 LEU A 11 14.777 29.950 14.831 1.00 0.00 ATOM 89 O LEU A 11 15.021 32.295 9.975 1.00 0.00 ATOM 90 C LEU A 11 14.733 31.240 10.545 1.00 0.00 ATOM 91 N ARG A 12 13.906 30.358 10.029 1.00 0.00 ATOM 92 CA ARG A 12 13.259 30.558 8.737 1.00 0.00 ATOM 93 CB ARG A 12 13.790 29.566 7.700 1.00 0.00 ATOM 94 CG ARG A 12 15.253 29.765 7.342 1.00 0.00 ATOM 95 CD ARG A 12 15.700 28.779 6.276 1.00 0.00 ATOM 96 NE ARG A 12 17.143 28.829 6.054 1.00 0.00 ATOM 97 CZ ARG A 12 17.740 29.667 5.214 1.00 0.00 ATOM 98 NH1 ARG A 12 19.059 29.642 5.076 1.00 0.00 ATOM 99 NH2 ARG A 12 17.018 30.529 4.510 1.00 0.00 ATOM 100 O ARG A 12 11.253 29.637 9.695 1.00 0.00 ATOM 101 C ARG A 12 11.748 30.369 8.834 1.00 0.00 ATOM 102 N THR A 13 11.019 31.048 7.956 1.00 0.00 ATOM 103 CA THR A 13 9.566 30.961 7.949 1.00 0.00 ATOM 104 CB THR A 13 8.919 32.354 8.063 1.00 0.00 ATOM 105 CG2 THR A 13 7.401 32.239 8.047 1.00 0.00 ATOM 106 OG1 THR A 13 9.324 32.973 9.290 1.00 0.00 ATOM 107 O THR A 13 9.589 30.715 5.561 1.00 0.00 ATOM 108 C THR A 13 9.159 30.298 6.633 1.00 0.00 ATOM 109 N VAL A 14 8.348 29.253 6.725 1.00 0.00 ATOM 110 CA VAL A 14 7.892 28.539 5.540 1.00 0.00 ATOM 111 CB VAL A 14 8.617 27.191 5.376 1.00 0.00 ATOM 112 CG1 VAL A 14 8.115 26.461 4.139 1.00 0.00 ATOM 113 CG2 VAL A 14 10.116 27.406 5.231 1.00 0.00 ATOM 114 O VAL A 14 5.914 27.740 6.628 1.00 0.00 ATOM 115 C VAL A 14 6.400 28.259 5.622 1.00 0.00 ATOM 116 N GLU A 15 5.674 28.594 4.562 1.00 0.00 ATOM 117 CA GLU A 15 4.243 28.341 4.535 1.00 0.00 ATOM 118 CB GLU A 15 3.502 29.509 3.881 1.00 0.00 ATOM 119 CG GLU A 15 1.996 29.320 3.799 1.00 0.00 ATOM 120 CD GLU A 15 1.298 30.490 3.133 1.00 0.00 ATOM 121 OE1 GLU A 15 1.994 31.448 2.733 1.00 0.00 ATOM 122 OE2 GLU A 15 0.055 30.449 3.011 1.00 0.00 ATOM 123 O GLU A 15 4.351 26.957 2.570 1.00 0.00 ATOM 124 C GLU A 15 3.970 27.071 3.738 1.00 0.00 ATOM 125 N MET A 16 3.322 26.113 4.388 1.00 0.00 ATOM 126 CA MET A 16 2.980 24.844 3.760 1.00 0.00 ATOM 127 CB MET A 16 3.316 23.675 4.689 1.00 0.00 ATOM 128 CG MET A 16 4.800 23.521 4.983 1.00 0.00 ATOM 129 SD MET A 16 5.157 22.100 6.033 1.00 0.00 ATOM 130 CE MET A 16 4.672 22.734 7.636 1.00 0.00 ATOM 131 O MET A 16 0.679 25.169 4.323 1.00 0.00 ATOM 132 C MET A 16 1.491 24.846 3.459 1.00 0.00 ATOM 133 N LYS A 17 1.127 24.496 2.231 1.00 0.00 ATOM 134 CA LYS A 17 -0.278 24.459 1.855 1.00 0.00 ATOM 135 CB LYS A 17 -0.534 25.346 0.635 1.00 0.00 ATOM 136 CG LYS A 17 -0.271 26.823 0.875 1.00 0.00 ATOM 137 CD LYS A 17 -0.583 27.649 -0.364 1.00 0.00 ATOM 138 CE LYS A 17 -0.356 29.129 -0.111 1.00 0.00 ATOM 139 NZ LYS A 17 -0.776 29.962 -1.273 1.00 0.00 ATOM 140 O LYS A 17 -0.185 22.428 0.541 1.00 0.00 ATOM 141 C LYS A 17 -0.653 23.017 1.539 1.00 0.00 ATOM 142 N LYS A 18 -1.424 22.430 2.537 1.00 0.00 ATOM 143 CA LYS A 18 -1.805 21.037 2.416 1.00 0.00 ATOM 144 CB LYS A 18 -1.395 20.197 3.628 1.00 0.00 ATOM 145 CG LYS A 18 -1.953 20.701 4.949 1.00 0.00 ATOM 146 CD LYS A 18 -1.538 19.799 6.100 1.00 0.00 ATOM 147 CE LYS A 18 -2.114 20.290 7.419 1.00 0.00 ATOM 148 NZ LYS A 18 -1.700 19.428 8.561 1.00 0.00 ATOM 149 O LYS A 18 -4.116 21.422 2.996 1.00 0.00 ATOM 150 C LYS A 18 -3.293 20.751 2.362 1.00 0.00 ATOM 151 N GLY A 19 -3.663 19.754 1.531 1.00 0.00 ATOM 152 CA GLY A 19 -5.021 19.290 1.399 1.00 0.00 ATOM 153 O GLY A 19 -4.277 17.481 2.785 1.00 0.00 ATOM 154 C GLY A 19 -5.240 18.049 2.269 1.00 0.00 ATOM 155 N PRO A 20 -6.492 17.628 2.432 1.00 0.00 ATOM 156 CA PRO A 20 -6.792 16.448 3.247 1.00 0.00 ATOM 157 CB PRO A 20 -8.317 16.340 3.196 1.00 0.00 ATOM 158 CG PRO A 20 -8.785 17.745 3.015 1.00 0.00 ATOM 159 CD PRO A 20 -7.816 18.387 2.063 1.00 0.00 ATOM 160 O PRO A 20 -5.954 14.208 3.412 1.00 0.00 ATOM 161 C PRO A 20 -6.300 15.145 2.656 1.00 0.00 ATOM 162 N THR A 21 -6.199 15.017 1.354 1.00 0.00 ATOM 163 CA THR A 21 -5.725 13.775 0.753 1.00 0.00 ATOM 164 CB THR A 21 -5.902 13.842 -0.774 1.00 0.00 ATOM 165 CG2 THR A 21 -7.376 13.952 -1.135 1.00 0.00 ATOM 166 OG1 THR A 21 -5.212 14.987 -1.290 1.00 0.00 ATOM 167 O THR A 21 -3.739 12.428 0.732 1.00 0.00 ATOM 168 C THR A 21 -4.231 13.532 0.978 1.00 0.00 ATOM 169 N ASP A 22 -3.342 14.670 1.349 1.00 0.00 ATOM 170 CA ASP A 22 -1.913 14.504 1.546 1.00 0.00 ATOM 171 CB ASP A 22 -1.070 15.239 0.442 1.00 0.00 ATOM 172 CG ASP A 22 -1.151 16.739 0.502 1.00 0.00 ATOM 173 OD1 ASP A 22 -2.003 17.257 1.281 1.00 0.00 ATOM 174 OD2 ASP A 22 -0.394 17.468 -0.217 1.00 0.00 ATOM 175 O ASP A 22 -0.397 14.113 3.343 1.00 0.00 ATOM 176 C ASP A 22 -1.314 14.806 2.906 1.00 0.00 ATOM 177 N SER A 23 -1.811 15.839 3.577 1.00 0.00 ATOM 178 CA SER A 23 -1.258 16.184 4.875 1.00 0.00 ATOM 179 CB SER A 23 -0.742 14.928 5.609 1.00 0.00 ATOM 180 OG SER A 23 -0.221 15.285 6.886 1.00 0.00 ATOM 181 O SER A 23 0.507 17.192 3.609 1.00 0.00 ATOM 182 C SER A 23 0.080 16.890 4.728 1.00 0.00 ATOM 183 N LEU A 24 0.743 17.143 5.852 1.00 0.00 ATOM 184 CA LEU A 24 2.031 17.831 5.863 1.00 0.00 ATOM 185 CB LEU A 24 2.526 18.018 7.300 1.00 0.00 ATOM 186 CG LEU A 24 1.742 19.009 8.163 1.00 0.00 ATOM 187 CD1 LEU A 24 2.223 18.962 9.605 1.00 0.00 ATOM 188 CD2 LEU A 24 1.919 20.428 7.648 1.00 0.00 ATOM 189 O LEU A 24 3.936 17.693 4.407 1.00 0.00 ATOM 190 C LEU A 24 3.117 17.085 5.097 1.00 0.00 ATOM 191 N GLY A 25 3.125 15.764 5.211 1.00 0.00 ATOM 192 CA GLY A 25 4.121 14.969 4.515 1.00 0.00 ATOM 193 O GLY A 25 6.517 14.913 4.561 1.00 0.00 ATOM 194 C GLY A 25 5.466 14.892 5.212 1.00 0.00 ATOM 195 N ILE A 26 5.441 14.797 6.540 1.00 0.00 ATOM 196 CA ILE A 26 6.669 14.703 7.324 1.00 0.00 ATOM 197 CB ILE A 26 7.045 16.080 7.903 1.00 0.00 ATOM 198 CG1 ILE A 26 5.929 16.596 8.815 1.00 0.00 ATOM 199 CG2 ILE A 26 7.259 17.089 6.786 1.00 0.00 ATOM 200 CD1 ILE A 26 6.303 17.837 9.595 1.00 0.00 ATOM 201 O ILE A 26 5.424 13.515 8.998 1.00 0.00 ATOM 202 C ILE A 26 6.533 13.809 8.553 1.00 0.00 ATOM 203 N SER A 27 7.667 13.388 9.085 1.00 0.00 ATOM 204 CA SER A 27 7.692 12.531 10.269 1.00 0.00 ATOM 205 CB SER A 27 8.375 11.197 9.961 1.00 0.00 ATOM 206 OG SER A 27 7.649 10.463 8.992 1.00 0.00 ATOM 207 O SER A 27 9.336 14.175 10.862 1.00 0.00 ATOM 208 C SER A 27 8.482 13.380 11.259 1.00 0.00 ATOM 209 N ILE A 28 8.237 13.218 12.564 1.00 0.00 ATOM 210 CA ILE A 28 8.935 14.016 13.561 1.00 0.00 ATOM 211 CB ILE A 28 8.017 15.002 14.307 1.00 0.00 ATOM 212 CG1 ILE A 28 6.878 14.251 14.997 1.00 0.00 ATOM 213 CG2 ILE A 28 7.415 16.007 13.337 1.00 0.00 ATOM 214 CD1 ILE A 28 6.045 15.117 15.918 1.00 0.00 ATOM 215 O ILE A 28 9.180 11.918 14.731 1.00 0.00 ATOM 216 C ILE A 28 9.589 13.078 14.571 1.00 0.00 ATOM 217 N ALA A 29 10.639 13.579 15.213 1.00 0.00 ATOM 218 CA ALA A 29 11.258 12.963 16.381 1.00 0.00 ATOM 219 CB ALA A 29 12.594 12.327 16.030 1.00 0.00 ATOM 220 O ALA A 29 11.299 15.268 17.070 1.00 0.00 ATOM 221 C ALA A 29 11.464 14.092 17.402 1.00 0.00 ATOM 222 N GLY A 30 11.737 13.715 18.644 1.00 0.00 ATOM 223 CA GLY A 30 12.049 14.707 19.717 1.00 0.00 ATOM 224 O GLY A 30 9.868 14.201 20.632 1.00 0.00 ATOM 225 C GLY A 30 10.873 14.955 20.638 1.00 0.00 ATOM 226 N GLY A 31 10.968 16.010 21.435 1.00 0.00 ATOM 227 CA GLY A 31 9.927 16.257 22.413 1.00 0.00 ATOM 228 O GLY A 31 11.506 15.547 24.061 1.00 0.00 ATOM 229 C GLY A 31 10.504 16.226 23.810 1.00 0.00 ATOM 230 N VAL A 32 9.873 17.044 24.701 1.00 0.00 ATOM 231 CA VAL A 32 10.232 16.972 26.106 1.00 0.00 ATOM 232 CB VAL A 32 9.354 17.915 26.950 1.00 0.00 ATOM 233 CG1 VAL A 32 9.662 17.745 28.430 1.00 0.00 ATOM 234 CG2 VAL A 32 9.612 19.365 26.569 1.00 0.00 ATOM 235 O VAL A 32 8.906 15.024 26.579 1.00 0.00 ATOM 236 C VAL A 32 10.009 15.568 26.673 1.00 0.00 ATOM 237 N GLY A 33 11.091 14.968 27.264 1.00 0.00 ATOM 238 CA GLY A 33 10.978 13.630 27.827 1.00 0.00 ATOM 239 O GLY A 33 10.575 11.391 27.064 1.00 0.00 ATOM 240 C GLY A 33 10.964 12.532 26.773 1.00 0.00 ATOM 241 N SER A 34 11.418 12.864 25.550 1.00 0.00 ATOM 242 CA SER A 34 11.510 11.897 24.424 1.00 0.00 ATOM 243 CB SER A 34 11.853 12.623 23.121 1.00 0.00 ATOM 244 OG SER A 34 13.171 13.144 23.160 1.00 0.00 ATOM 245 O SER A 34 13.436 11.062 25.586 1.00 0.00 ATOM 246 C SER A 34 12.595 10.860 24.709 1.00 0.00 ATOM 247 N PRO A 35 12.594 9.711 23.985 1.00 0.00 ATOM 248 CA PRO A 35 13.615 8.683 24.211 1.00 0.00 ATOM 249 CB PRO A 35 13.306 7.662 23.119 1.00 0.00 ATOM 250 CG PRO A 35 11.815 7.736 23.026 1.00 0.00 ATOM 251 CD PRO A 35 11.570 9.229 23.038 1.00 0.00 ATOM 252 O PRO A 35 15.936 8.690 24.646 1.00 0.00 ATOM 253 C PRO A 35 15.034 9.223 24.035 1.00 0.00 ATOM 254 N LEU A 36 15.234 10.249 23.204 1.00 0.00 ATOM 255 CA LEU A 36 16.560 10.835 22.982 1.00 0.00 ATOM 256 CB LEU A 36 16.625 11.493 21.602 1.00 0.00 ATOM 257 CG LEU A 36 16.422 10.568 20.401 1.00 0.00 ATOM 258 CD1 LEU A 36 16.411 11.366 19.104 1.00 0.00 ATOM 259 CD2 LEU A 36 17.540 9.541 20.318 1.00 0.00 ATOM 260 O LEU A 36 18.096 12.354 24.013 1.00 0.00 ATOM 261 C LEU A 36 16.955 11.899 24.026 1.00 0.00 ATOM 262 N GLY A 37 16.025 12.277 24.909 1.00 0.00 ATOM 263 CA GLY A 37 16.260 13.348 25.904 1.00 0.00 ATOM 264 O GLY A 37 14.110 14.148 25.206 1.00 0.00 ATOM 265 C GLY A 37 15.173 14.399 25.783 1.00 0.00 ATOM 266 N ASP A 38 15.364 15.553 26.366 1.00 0.00 ATOM 267 CA ASP A 38 14.453 16.689 26.258 1.00 0.00 ATOM 268 CB ASP A 38 14.499 17.495 27.563 1.00 0.00 ATOM 269 CG ASP A 38 13.454 18.605 27.626 1.00 0.00 ATOM 270 OD1 ASP A 38 12.774 18.898 26.622 1.00 0.00 ATOM 271 OD2 ASP A 38 13.321 19.216 28.704 1.00 0.00 ATOM 272 O ASP A 38 15.856 18.214 25.020 1.00 0.00 ATOM 273 C ASP A 38 14.892 17.446 24.993 1.00 0.00 ATOM 274 N VAL A 39 14.172 17.184 23.940 1.00 0.00 ATOM 275 CA VAL A 39 14.457 17.805 22.642 1.00 0.00 ATOM 276 CB VAL A 39 14.955 16.718 21.615 1.00 0.00 ATOM 277 CG1 VAL A 39 16.183 15.988 22.133 1.00 0.00 ATOM 278 CG2 VAL A 39 13.822 15.738 21.359 1.00 0.00 ATOM 279 O VAL A 39 12.160 18.342 22.408 1.00 0.00 ATOM 280 C VAL A 39 13.315 18.620 22.103 1.00 0.00 ATOM 281 N PRO A 40 13.633 19.609 21.269 1.00 0.00 ATOM 282 CA PRO A 40 12.635 20.247 20.434 1.00 0.00 ATOM 283 CB PRO A 40 13.394 21.385 19.748 1.00 0.00 ATOM 284 CG PRO A 40 14.615 21.575 20.584 1.00 0.00 ATOM 285 CD PRO A 40 14.974 20.215 21.113 1.00 0.00 ATOM 286 O PRO A 40 12.585 18.086 19.329 1.00 0.00 ATOM 287 C PRO A 40 12.110 19.250 19.397 1.00 0.00 ATOM 288 N ILE A 41 11.144 19.700 18.615 1.00 0.00 ATOM 289 CA ILE A 41 10.518 18.834 17.594 1.00 0.00 ATOM 290 CB ILE A 41 9.027 19.183 17.421 1.00 0.00 ATOM 291 CG1 ILE A 41 8.305 19.112 18.769 1.00 0.00 ATOM 292 CG2 ILE A 41 8.359 18.208 16.464 1.00 0.00 ATOM 293 CD1 ILE A 41 8.371 17.751 19.426 1.00 0.00 ATOM 294 O ILE A 41 11.438 20.128 15.809 1.00 0.00 ATOM 295 C ILE A 41 11.293 19.013 16.297 1.00 0.00 ATOM 296 N PHE A 42 11.832 17.910 15.732 1.00 0.00 ATOM 297 CA PHE A 42 12.596 17.980 14.499 1.00 0.00 ATOM 298 CB PHE A 42 13.947 17.290 14.650 1.00 0.00 ATOM 299 CG PHE A 42 14.931 18.069 15.474 1.00 0.00 ATOM 300 CD1 PHE A 42 14.825 18.113 16.862 1.00 0.00 ATOM 301 CD2 PHE A 42 15.986 18.737 14.860 1.00 0.00 ATOM 302 CE1 PHE A 42 15.764 18.807 17.627 1.00 0.00 ATOM 303 CE2 PHE A 42 16.929 19.431 15.616 1.00 0.00 ATOM 304 CZ PHE A 42 16.818 19.465 16.996 1.00 0.00 ATOM 305 O PHE A 42 11.460 16.049 13.702 1.00 0.00 ATOM 306 C PHE A 42 11.923 17.152 13.438 1.00 0.00 ATOM 307 N ILE A 43 11.912 17.670 12.220 1.00 0.00 ATOM 308 CA ILE A 43 11.570 16.854 11.056 1.00 0.00 ATOM 309 CB ILE A 43 11.242 17.779 9.837 1.00 0.00 ATOM 310 CG1 ILE A 43 10.031 18.670 10.141 1.00 0.00 ATOM 311 CG2 ILE A 43 11.005 16.946 8.590 1.00 0.00 ATOM 312 CD1 ILE A 43 9.734 19.717 9.062 1.00 0.00 ATOM 313 O ILE A 43 13.838 16.126 10.742 1.00 0.00 ATOM 314 C ILE A 43 12.643 15.820 10.800 1.00 0.00 ATOM 315 N ALA A 44 12.219 14.501 10.679 1.00 0.00 ATOM 316 CA ALA A 44 13.103 13.389 10.489 1.00 0.00 ATOM 317 CB ALA A 44 12.816 12.283 11.532 1.00 0.00 ATOM 318 O ALA A 44 14.096 12.496 8.434 1.00 0.00 ATOM 319 C ALA A 44 13.064 12.833 9.041 1.00 0.00 ATOM 320 N MET A 45 11.939 12.787 8.440 1.00 0.00 ATOM 321 CA MET A 45 11.830 12.302 7.075 1.00 0.00 ATOM 322 CB MET A 45 11.525 10.813 6.907 1.00 0.00 ATOM 323 CG MET A 45 12.607 9.892 7.449 1.00 0.00 ATOM 324 SD MET A 45 12.216 8.148 7.219 1.00 0.00 ATOM 325 CE MET A 45 12.392 7.990 5.445 1.00 0.00 ATOM 326 O MET A 45 9.689 13.357 6.986 1.00 0.00 ATOM 327 C MET A 45 10.749 13.126 6.400 1.00 0.00 ATOM 328 N MET A 46 10.989 13.514 5.136 1.00 0.00 ATOM 329 CA MET A 46 10.000 14.197 4.306 1.00 0.00 ATOM 330 CB MET A 46 10.530 15.475 3.655 1.00 0.00 ATOM 331 CG MET A 46 10.844 16.590 4.640 1.00 0.00 ATOM 332 SD MET A 46 11.432 18.089 3.828 1.00 0.00 ATOM 333 CE MET A 46 13.098 17.603 3.385 1.00 0.00 ATOM 334 O MET A 46 10.388 12.735 2.450 1.00 0.00 ATOM 335 C MET A 46 9.558 13.300 3.159 1.00 0.00 ATOM 336 N HIS A 47 8.258 13.207 3.013 1.00 0.00 ATOM 337 CA HIS A 47 7.690 12.389 1.945 1.00 0.00 ATOM 338 CB HIS A 47 6.226 11.997 2.160 1.00 0.00 ATOM 339 CG HIS A 47 5.963 11.226 3.411 1.00 0.00 ATOM 340 CD2 HIS A 47 6.793 10.589 4.271 1.00 0.00 ATOM 341 ND1 HIS A 47 4.692 10.975 3.854 1.00 0.00 ATOM 342 CE1 HIS A 47 4.742 10.261 4.962 1.00 0.00 ATOM 343 NE2 HIS A 47 6.007 10.004 5.233 1.00 0.00 ATOM 344 O HIS A 47 7.304 14.228 0.440 1.00 0.00 ATOM 345 C HIS A 47 7.736 13.083 0.595 1.00 0.00 ATOM 346 N PRO A 48 8.278 12.363 -0.377 1.00 0.00 ATOM 347 CA PRO A 48 8.420 12.854 -1.739 1.00 0.00 ATOM 348 CB PRO A 48 8.968 11.651 -2.509 1.00 0.00 ATOM 349 CG PRO A 48 9.719 10.863 -1.487 1.00 0.00 ATOM 350 CD PRO A 48 8.920 10.958 -0.218 1.00 0.00 ATOM 351 O PRO A 48 6.104 12.604 -2.329 1.00 0.00 ATOM 352 C PRO A 48 7.103 13.325 -2.352 1.00 0.00 ATOM 353 N THR A 49 7.113 14.543 -2.889 1.00 0.00 ATOM 354 CA THR A 49 5.937 15.091 -3.546 1.00 0.00 ATOM 355 CB THR A 49 5.213 14.021 -4.383 1.00 0.00 ATOM 356 CG2 THR A 49 6.197 13.294 -5.287 1.00 0.00 ATOM 357 OG1 THR A 49 4.592 13.068 -3.513 1.00 0.00 ATOM 358 O THR A 49 3.898 16.284 -3.278 1.00 0.00 ATOM 359 C THR A 49 4.815 15.688 -2.716 1.00 0.00 ATOM 360 N GLY A 50 4.956 15.492 -1.332 1.00 0.00 ATOM 361 CA GLY A 50 3.911 16.057 -0.488 1.00 0.00 ATOM 362 O GLY A 50 4.911 18.195 -0.808 1.00 0.00 ATOM 363 C GLY A 50 4.068 17.545 -0.205 1.00 0.00 ATOM 364 N VAL A 51 3.301 18.067 0.776 1.00 0.00 ATOM 365 CA VAL A 51 3.367 19.504 1.071 1.00 0.00 ATOM 366 CB VAL A 51 2.405 19.899 2.278 1.00 0.00 ATOM 367 CG1 VAL A 51 2.499 21.326 2.759 1.00 0.00 ATOM 368 CG2 VAL A 51 1.000 19.757 1.734 1.00 0.00 ATOM 369 O VAL A 51 5.196 21.021 1.006 1.00 0.00 ATOM 370 C VAL A 51 4.722 20.004 1.510 1.00 0.00 ATOM 371 N ALA A 52 5.376 19.318 2.464 1.00 0.00 ATOM 372 CA ALA A 52 6.653 19.764 2.990 1.00 0.00 ATOM 373 CB ALA A 52 7.139 18.832 4.091 1.00 0.00 ATOM 374 O ALA A 52 8.461 20.744 1.797 1.00 0.00 ATOM 375 C ALA A 52 7.696 19.787 1.891 1.00 0.00 ATOM 376 N ALA A 53 7.727 18.736 1.079 1.00 0.00 ATOM 377 CA ALA A 53 8.704 18.612 -0.003 1.00 0.00 ATOM 378 CB ALA A 53 8.558 17.264 -0.694 1.00 0.00 ATOM 379 O ALA A 53 9.402 20.233 -1.635 1.00 0.00 ATOM 380 C ALA A 53 8.461 19.710 -1.036 1.00 0.00 ATOM 381 N GLN A 54 7.193 20.053 -1.251 1.00 0.00 ATOM 382 CA GLN A 54 6.842 21.080 -2.226 1.00 0.00 ATOM 383 CB GLN A 54 5.324 21.247 -2.308 1.00 0.00 ATOM 384 CG GLN A 54 4.605 20.075 -2.957 1.00 0.00 ATOM 385 CD GLN A 54 3.100 20.257 -2.984 1.00 0.00 ATOM 386 OE1 GLN A 54 2.582 21.289 -2.557 1.00 0.00 ATOM 387 NE2 GLN A 54 2.394 19.253 -3.491 1.00 0.00 ATOM 388 O GLN A 54 7.669 23.246 -2.815 1.00 0.00 ATOM 389 C GLN A 54 7.436 22.453 -1.910 1.00 0.00 ATOM 390 N THR A 55 7.701 22.735 -0.638 1.00 0.00 ATOM 391 CA THR A 55 8.268 24.037 -0.275 1.00 0.00 ATOM 392 CB THR A 55 8.269 24.243 1.250 1.00 0.00 ATOM 393 CG2 THR A 55 6.856 24.149 1.803 1.00 0.00 ATOM 394 OG1 THR A 55 9.078 23.235 1.871 1.00 0.00 ATOM 395 O THR A 55 10.154 25.363 -0.935 1.00 0.00 ATOM 396 C THR A 55 9.709 24.226 -0.744 1.00 0.00 ATOM 397 N GLN A 56 10.428 23.122 -0.942 1.00 0.00 ATOM 398 CA GLN A 56 11.840 23.183 -1.333 1.00 0.00 ATOM 399 CB GLN A 56 11.982 23.778 -2.736 1.00 0.00 ATOM 400 CG GLN A 56 11.317 22.958 -3.829 1.00 0.00 ATOM 401 CD GLN A 56 11.516 23.552 -5.208 1.00 0.00 ATOM 402 OE1 GLN A 56 12.307 24.480 -5.387 1.00 0.00 ATOM 403 NE2 GLN A 56 10.798 23.020 -6.191 1.00 0.00 ATOM 404 O GLN A 56 13.591 24.671 -0.610 1.00 0.00 ATOM 405 C GLN A 56 12.574 24.042 -0.304 1.00 0.00 ATOM 406 N LYS A 57 12.082 24.034 0.933 1.00 0.00 ATOM 407 CA LYS A 57 12.686 24.846 1.981 1.00 0.00 ATOM 408 CB LYS A 57 11.850 26.110 2.192 1.00 0.00 ATOM 409 CG LYS A 57 11.819 27.041 0.991 1.00 0.00 ATOM 410 CD LYS A 57 10.976 28.275 1.270 1.00 0.00 ATOM 411 CE LYS A 57 10.805 29.122 0.021 1.00 0.00 ATOM 412 NZ LYS A 57 10.043 30.370 0.295 1.00 0.00 ATOM 413 O LYS A 57 13.865 24.391 4.019 1.00 0.00 ATOM 414 C LYS A 57 13.005 24.019 3.213 1.00 0.00 ATOM 415 N LEU A 58 12.186 23.054 3.459 1.00 0.00 ATOM 416 CA LEU A 58 12.355 22.258 4.660 1.00 0.00 ATOM 417 CB LEU A 58 10.980 21.728 5.070 1.00 0.00 ATOM 418 CG LEU A 58 9.889 22.776 5.296 1.00 0.00 ATOM 419 CD1 LEU A 58 8.552 22.109 5.577 1.00 0.00 ATOM 420 CD2 LEU A 58 10.234 23.665 6.481 1.00 0.00 ATOM 421 O LEU A 58 13.611 20.696 3.208 1.00 0.00 ATOM 422 C LEU A 58 13.387 21.157 4.366 1.00 0.00 ATOM 423 N ARG A 59 14.017 20.676 5.511 1.00 0.00 ATOM 424 CA ARG A 59 14.998 19.640 5.482 1.00 0.00 ATOM 425 CB ARG A 59 16.421 20.226 5.366 1.00 0.00 ATOM 426 CG ARG A 59 16.652 21.130 4.172 1.00 0.00 ATOM 427 CD ARG A 59 18.147 21.372 3.980 1.00 0.00 ATOM 428 NE ARG A 59 18.441 22.256 2.858 1.00 0.00 ATOM 429 CZ ARG A 59 18.261 23.573 2.872 1.00 0.00 ATOM 430 NH1 ARG A 59 17.783 24.168 3.961 1.00 0.00 ATOM 431 NH2 ARG A 59 18.570 24.295 1.801 1.00 0.00 ATOM 432 O ARG A 59 14.628 19.252 7.814 1.00 0.00 ATOM 433 C ARG A 59 15.008 18.793 6.740 1.00 0.00 ATOM 434 N VAL A 60 15.390 17.531 6.581 1.00 0.00 ATOM 435 CA VAL A 60 15.505 16.621 7.708 1.00 0.00 ATOM 436 CB VAL A 60 16.020 15.267 7.268 1.00 0.00 ATOM 437 CG1 VAL A 60 16.328 14.375 8.491 1.00 0.00 ATOM 438 CG2 VAL A 60 14.971 14.576 6.413 1.00 0.00 ATOM 439 O VAL A 60 17.604 17.723 8.086 1.00 0.00 ATOM 440 C VAL A 60 16.585 17.242 8.588 1.00 0.00 ATOM 441 N GLY A 61 16.351 17.252 9.894 1.00 0.00 ATOM 442 CA GLY A 61 17.308 17.836 10.813 1.00 0.00 ATOM 443 O GLY A 61 17.368 19.730 12.280 1.00 0.00 ATOM 444 C GLY A 61 16.845 19.203 11.299 1.00 0.00 ATOM 445 N ASP A 62 15.865 19.792 10.596 1.00 0.00 ATOM 446 CA ASP A 62 15.344 21.100 11.011 1.00 0.00 ATOM 447 CB ASP A 62 14.435 21.660 9.915 1.00 0.00 ATOM 448 CG ASP A 62 15.207 22.099 8.687 1.00 0.00 ATOM 449 OD1 ASP A 62 16.450 22.186 8.766 1.00 0.00 ATOM 450 OD2 ASP A 62 14.569 22.358 7.644 1.00 0.00 ATOM 451 O ASP A 62 13.693 20.001 12.373 1.00 0.00 ATOM 452 C ASP A 62 14.517 20.925 12.277 1.00 0.00 ATOM 453 N ARG A 63 14.688 21.852 13.193 1.00 0.00 ATOM 454 CA ARG A 63 13.916 21.847 14.438 1.00 0.00 ATOM 455 CB ARG A 63 14.657 22.573 15.515 1.00 0.00 ATOM 456 CG ARG A 63 13.819 22.887 16.734 1.00 0.00 ATOM 457 CD ARG A 63 14.511 23.683 17.800 1.00 0.00 ATOM 458 NE ARG A 63 15.729 23.014 18.228 1.00 0.00 ATOM 459 CZ ARG A 63 16.753 23.603 18.800 1.00 0.00 ATOM 460 NH1 ARG A 63 16.757 24.885 19.084 1.00 0.00 ATOM 461 NH2 ARG A 63 17.816 22.861 19.090 1.00 0.00 ATOM 462 O ARG A 63 12.834 23.774 13.509 1.00 0.00 ATOM 463 C ARG A 63 12.705 22.724 14.139 1.00 0.00 ATOM 464 N ILE A 64 11.519 22.298 14.570 1.00 0.00 ATOM 465 CA ILE A 64 10.313 23.076 14.357 1.00 0.00 ATOM 466 CB ILE A 64 9.081 22.180 14.130 1.00 0.00 ATOM 467 CG1 ILE A 64 9.268 21.325 12.875 1.00 0.00 ATOM 468 CG2 ILE A 64 7.831 23.030 13.952 1.00 0.00 ATOM 469 CD1 ILE A 64 8.209 20.258 12.701 1.00 0.00 ATOM 470 O ILE A 64 10.057 23.325 16.727 1.00 0.00 ATOM 471 C ILE A 64 10.181 23.888 15.641 1.00 0.00 ATOM 472 N VAL A 65 10.236 25.209 15.517 1.00 0.00 ATOM 473 CA VAL A 65 10.170 26.077 16.688 1.00 0.00 ATOM 474 CB VAL A 65 11.235 27.176 16.658 1.00 0.00 ATOM 475 CG1 VAL A 65 12.591 26.582 16.725 1.00 0.00 ATOM 476 CG2 VAL A 65 11.167 27.973 15.408 1.00 0.00 ATOM 477 O VAL A 65 8.474 27.101 18.011 1.00 0.00 ATOM 478 C VAL A 65 8.806 26.724 16.895 1.00 0.00 ATOM 479 N THR A 66 8.084 26.955 15.825 1.00 0.00 ATOM 480 CA THR A 66 6.753 27.542 15.950 1.00 0.00 ATOM 481 CB THR A 66 6.869 29.076 15.870 1.00 0.00 ATOM 482 CG2 THR A 66 5.511 29.724 16.089 1.00 0.00 ATOM 483 OG1 THR A 66 7.775 29.543 16.876 1.00 0.00 ATOM 484 O THR A 66 6.271 26.939 13.674 1.00 0.00 ATOM 485 C THR A 66 5.830 27.045 14.833 1.00 0.00 ATOM 486 N ILE A 67 4.587 26.848 15.171 1.00 0.00 ATOM 487 CA ILE A 67 3.532 26.522 14.187 1.00 0.00 ATOM 488 CB ILE A 67 3.012 25.104 14.481 1.00 0.00 ATOM 489 CG1 ILE A 67 4.157 24.091 14.419 1.00 0.00 ATOM 490 CG2 ILE A 67 1.957 24.701 13.462 1.00 0.00 ATOM 491 CD1 ILE A 67 3.761 22.695 14.848 1.00 0.00 ATOM 492 O ILE A 67 1.676 27.524 15.286 1.00 0.00 ATOM 493 C ILE A 67 2.396 27.528 14.284 1.00 0.00 ATOM 494 N CYS A 68 2.172 28.323 13.266 1.00 0.00 ATOM 495 CA CYS A 68 1.130 29.332 13.296 1.00 0.00 ATOM 496 CB CYS A 68 -0.260 28.694 13.246 1.00 0.00 ATOM 497 SG CYS A 68 -0.602 27.768 11.732 1.00 0.00 ATOM 498 O CYS A 68 0.176 30.570 15.128 1.00 0.00 ATOM 499 C CYS A 68 1.199 30.231 14.534 1.00 0.00 ATOM 500 N GLY A 69 2.411 30.596 14.931 1.00 0.00 ATOM 501 CA GLY A 69 2.580 31.474 16.077 1.00 0.00 ATOM 502 O GLY A 69 3.003 31.349 18.426 1.00 0.00 ATOM 503 C GLY A 69 2.676 30.745 17.402 1.00 0.00 ATOM 504 N THR A 70 2.393 29.450 17.394 1.00 0.00 ATOM 505 CA THR A 70 2.461 28.672 18.617 1.00 0.00 ATOM 506 CB THR A 70 1.515 27.458 18.570 1.00 0.00 ATOM 507 CG2 THR A 70 1.625 26.647 19.852 1.00 0.00 ATOM 508 OG1 THR A 70 0.163 27.906 18.419 1.00 0.00 ATOM 509 O THR A 70 4.400 27.386 18.023 1.00 0.00 ATOM 510 C THR A 70 3.875 28.149 18.832 1.00 0.00 ATOM 511 N SER A 71 4.476 28.550 19.944 1.00 0.00 ATOM 512 CA SER A 71 5.834 28.148 20.277 1.00 0.00 ATOM 513 CB SER A 71 6.355 28.955 21.467 1.00 0.00 ATOM 514 OG SER A 71 7.659 28.540 21.836 1.00 0.00 ATOM 515 O SER A 71 5.233 26.173 21.511 1.00 0.00 ATOM 516 C SER A 71 5.957 26.671 20.649 1.00 0.00 ATOM 517 N THR A 72 6.869 25.967 19.986 1.00 0.00 ATOM 518 CA THR A 72 7.086 24.550 20.253 1.00 0.00 ATOM 519 CB THR A 72 6.807 23.690 19.006 1.00 0.00 ATOM 520 CG2 THR A 72 5.353 23.826 18.581 1.00 0.00 ATOM 521 OG1 THR A 72 7.647 24.122 17.928 1.00 0.00 ATOM 522 O THR A 72 8.965 23.129 20.674 1.00 0.00 ATOM 523 C THR A 72 8.530 24.279 20.666 1.00 0.00 ATOM 524 N GLU A 73 9.274 25.331 20.994 1.00 0.00 ATOM 525 CA GLU A 73 10.677 25.177 21.368 1.00 0.00 ATOM 526 CB GLU A 73 11.303 26.539 21.674 1.00 0.00 ATOM 527 CG GLU A 73 11.523 27.411 20.447 1.00 0.00 ATOM 528 CD GLU A 73 12.062 28.784 20.797 1.00 0.00 ATOM 529 OE1 GLU A 73 12.180 29.086 22.004 1.00 0.00 ATOM 530 OE2 GLU A 73 12.364 29.558 19.866 1.00 0.00 ATOM 531 O GLU A 73 11.991 23.788 22.809 1.00 0.00 ATOM 532 C GLU A 73 10.898 24.309 22.605 1.00 0.00 ATOM 533 N GLY A 74 9.867 24.141 23.425 1.00 0.00 ATOM 534 CA GLY A 74 10.007 23.309 24.618 1.00 0.00 ATOM 535 O GLY A 74 8.442 21.955 25.846 1.00 0.00 ATOM 536 C GLY A 74 8.819 22.360 24.748 1.00 0.00 ATOM 537 N MET A 75 8.217 22.027 23.614 1.00 0.00 ATOM 538 CA MET A 75 7.064 21.139 23.598 1.00 0.00 ATOM 539 CB MET A 75 6.308 21.273 22.275 1.00 0.00 ATOM 540 CG MET A 75 5.713 22.651 22.037 1.00 0.00 ATOM 541 SD MET A 75 4.398 23.053 23.204 1.00 0.00 ATOM 542 CE MET A 75 5.264 24.151 24.324 1.00 0.00 ATOM 543 O MET A 75 8.541 19.253 23.418 1.00 0.00 ATOM 544 C MET A 75 7.426 19.672 23.749 1.00 0.00 ATOM 545 N THR A 76 6.496 18.907 24.311 1.00 0.00 ATOM 546 CA THR A 76 6.673 17.469 24.469 1.00 0.00 ATOM 547 CB THR A 76 5.762 16.909 25.577 1.00 0.00 ATOM 548 CG2 THR A 76 6.025 17.621 26.894 1.00 0.00 ATOM 549 OG1 THR A 76 4.388 17.101 25.211 1.00 0.00 ATOM 550 O THR A 76 5.757 17.616 22.269 1.00 0.00 ATOM 551 C THR A 76 6.306 16.899 23.108 1.00 0.00 ATOM 552 N HIS A 77 6.634 15.676 22.826 1.00 0.00 ATOM 553 CA HIS A 77 6.309 15.091 21.526 1.00 0.00 ATOM 554 CB HIS A 77 6.689 13.608 21.494 1.00 0.00 ATOM 555 CG HIS A 77 6.334 12.921 20.214 1.00 0.00 ATOM 556 CD2 HIS A 77 5.314 11.972 19.792 1.00 0.00 ATOM 557 ND1 HIS A 77 7.040 13.113 19.046 1.00 0.00 ATOM 558 CE1 HIS A 77 6.489 12.365 18.073 1.00 0.00 ATOM 559 NE2 HIS A 77 5.452 11.678 18.514 1.00 0.00 ATOM 560 O HIS A 77 4.366 15.604 20.187 1.00 0.00 ATOM 561 C HIS A 77 4.801 15.240 21.285 1.00 0.00 ATOM 562 N THR A 78 4.004 14.889 22.288 1.00 0.00 ATOM 563 CA THR A 78 2.552 14.972 22.170 1.00 0.00 ATOM 564 CB THR A 78 1.854 14.557 23.480 1.00 0.00 ATOM 565 CG2 THR A 78 0.345 14.684 23.341 1.00 0.00 ATOM 566 OG1 THR A 78 2.179 13.195 23.786 1.00 0.00 ATOM 567 O THR A 78 1.161 16.539 21.020 1.00 0.00 ATOM 568 C THR A 78 2.022 16.373 21.876 1.00 0.00 ATOM 569 N GLN A 79 2.541 17.395 22.567 1.00 0.00 ATOM 570 CA GLN A 79 2.097 18.766 22.329 1.00 0.00 ATOM 571 CB GLN A 79 2.837 19.754 23.191 1.00 0.00 ATOM 572 CG GLN A 79 2.487 19.624 24.662 1.00 0.00 ATOM 573 CD GLN A 79 3.352 20.477 25.549 1.00 0.00 ATOM 574 OE1 GLN A 79 4.465 20.100 25.892 1.00 0.00 ATOM 575 NE2 GLN A 79 2.843 21.638 25.939 1.00 0.00 ATOM 576 O GLN A 79 1.589 19.841 20.241 1.00 0.00 ATOM 577 C GLN A 79 2.399 19.181 20.891 1.00 0.00 ATOM 578 N ALA A 80 3.562 18.770 20.392 1.00 0.00 ATOM 579 CA ALA A 80 3.970 19.083 19.027 1.00 0.00 ATOM 580 CB ALA A 80 5.350 18.602 18.738 1.00 0.00 ATOM 581 O ALA A 80 2.623 19.043 17.044 1.00 0.00 ATOM 582 C ALA A 80 3.023 18.427 18.030 1.00 0.00 ATOM 583 N VAL A 81 2.684 17.167 18.274 1.00 0.00 ATOM 584 CA VAL A 81 1.789 16.442 17.386 1.00 0.00 ATOM 585 CB VAL A 81 1.599 14.991 17.862 1.00 0.00 ATOM 586 CG1 VAL A 81 0.502 14.306 17.061 1.00 0.00 ATOM 587 CG2 VAL A 81 2.885 14.199 17.688 1.00 0.00 ATOM 588 O VAL A 81 -0.179 17.246 16.274 1.00 0.00 ATOM 589 C VAL A 81 0.410 17.097 17.343 1.00 0.00 ATOM 590 N ASN A 82 -0.088 17.520 18.501 1.00 0.00 ATOM 591 CA ASN A 82 -1.402 18.148 18.566 1.00 0.00 ATOM 592 CB ASN A 82 -1.805 18.399 20.021 1.00 0.00 ATOM 593 CG ASN A 82 -2.170 17.123 20.753 1.00 0.00 ATOM 594 ND2 ASN A 82 -2.111 17.166 22.079 1.00 0.00 ATOM 595 OD1 ASN A 82 -2.501 16.113 20.132 1.00 0.00 ATOM 596 O ASN A 82 -2.339 19.786 17.093 1.00 0.00 ATOM 597 C ASN A 82 -1.412 19.485 17.830 1.00 0.00 ATOM 598 N LEU A 83 -0.358 20.263 18.017 1.00 0.00 ATOM 599 CA LEU A 83 -0.245 21.561 17.351 1.00 0.00 ATOM 600 CB LEU A 83 1.031 22.284 17.786 1.00 0.00 ATOM 601 CG LEU A 83 1.073 22.775 19.234 1.00 0.00 ATOM 602 CD1 LEU A 83 2.454 23.307 19.582 1.00 0.00 ATOM 603 CD2 LEU A 83 0.064 23.893 19.451 1.00 0.00 ATOM 604 O LEU A 83 -0.954 22.019 15.101 1.00 0.00 ATOM 605 C LEU A 83 -0.221 21.357 15.840 1.00 0.00 ATOM 606 N LEU A 84 0.604 20.422 15.369 1.00 0.00 ATOM 607 CA LEU A 84 0.678 20.176 13.929 1.00 0.00 ATOM 608 CB LEU A 84 1.847 19.237 13.616 1.00 0.00 ATOM 609 CG LEU A 84 3.237 19.878 13.735 1.00 0.00 ATOM 610 CD1 LEU A 84 4.314 18.810 13.581 1.00 0.00 ATOM 611 CD2 LEU A 84 3.397 20.952 12.667 1.00 0.00 ATOM 612 O LEU A 84 -1.047 19.953 12.274 1.00 0.00 ATOM 613 C LEU A 84 -0.608 19.586 13.364 1.00 0.00 ATOM 614 N LYS A 85 -1.231 18.696 14.124 1.00 0.00 ATOM 615 CA LYS A 85 -2.468 18.054 13.694 1.00 0.00 ATOM 616 CB LYS A 85 -2.921 17.020 14.728 1.00 0.00 ATOM 617 CG LYS A 85 -4.153 16.231 14.317 1.00 0.00 ATOM 618 CD LYS A 85 -4.488 15.159 15.341 1.00 0.00 ATOM 619 CE LYS A 85 -5.718 14.365 14.929 1.00 0.00 ATOM 620 NZ LYS A 85 -6.049 13.299 15.914 1.00 0.00 ATOM 621 O LYS A 85 -4.506 18.809 12.684 1.00 0.00 ATOM 622 C LYS A 85 -3.625 19.027 13.519 1.00 0.00 ATOM 623 N ASN A 86 -3.633 20.119 14.295 1.00 0.00 ATOM 624 CA ASN A 86 -4.707 21.100 14.219 1.00 0.00 ATOM 625 CB ASN A 86 -4.933 21.743 15.589 1.00 0.00 ATOM 626 CG ASN A 86 -5.557 20.788 16.585 1.00 0.00 ATOM 627 ND2 ASN A 86 -5.317 21.034 17.869 1.00 0.00 ATOM 628 OD1 ASN A 86 -6.244 19.841 16.206 1.00 0.00 ATOM 629 O ASN A 86 -5.488 23.010 12.996 1.00 0.00 ATOM 630 C ASN A 86 -4.594 22.176 13.146 1.00 0.00 ATOM 631 N ALA A 87 -3.512 22.155 12.384 1.00 0.00 ATOM 632 CA ALA A 87 -3.278 23.149 11.340 1.00 0.00 ATOM 633 CB ALA A 87 -1.834 23.069 10.867 1.00 0.00 ATOM 634 O ALA A 87 -4.727 21.972 9.824 1.00 0.00 ATOM 635 C ALA A 87 -4.196 23.044 10.124 1.00 0.00 ATOM 636 N SER A 88 -4.377 24.165 9.434 1.00 0.00 ATOM 637 CA SER A 88 -5.224 24.189 8.257 1.00 0.00 ATOM 638 CB SER A 88 -6.003 25.502 8.175 1.00 0.00 ATOM 639 OG SER A 88 -5.129 26.607 8.015 1.00 0.00 ATOM 640 O SER A 88 -3.290 23.744 6.939 1.00 0.00 ATOM 641 C SER A 88 -4.463 24.098 6.958 1.00 0.00 ATOM 642 N GLY A 89 -5.148 24.391 5.862 1.00 0.00 ATOM 643 CA GLY A 89 -4.496 24.337 4.568 1.00 0.00 ATOM 644 O GLY A 89 -2.216 24.760 3.964 1.00 0.00 ATOM 645 C GLY A 89 -3.223 25.166 4.542 1.00 0.00 ATOM 646 N SER A 90 -3.374 26.288 5.360 1.00 0.00 ATOM 647 CA SER A 90 -2.257 27.219 5.405 1.00 0.00 ATOM 648 CB SER A 90 -2.754 28.659 5.270 1.00 0.00 ATOM 649 OG SER A 90 -1.682 29.580 5.360 1.00 0.00 ATOM 650 O SER A 90 -1.989 27.551 7.768 1.00 0.00 ATOM 651 C SER A 90 -1.511 27.094 6.730 1.00 0.00 ATOM 652 N ILE A 91 -0.334 26.478 6.684 1.00 0.00 ATOM 653 CA ILE A 91 0.469 26.267 7.883 1.00 0.00 ATOM 654 CB ILE A 91 0.800 24.775 8.070 1.00 0.00 ATOM 655 CG1 ILE A 91 -0.486 23.955 8.189 1.00 0.00 ATOM 656 CG2 ILE A 91 1.622 24.566 9.333 1.00 0.00 ATOM 657 CD1 ILE A 91 -0.258 22.459 8.199 1.00 0.00 ATOM 658 O ILE A 91 2.677 26.664 7.025 1.00 0.00 ATOM 659 C ILE A 91 1.801 27.008 7.825 1.00 0.00 ATOM 660 N GLU A 92 1.957 28.026 8.680 1.00 0.00 ATOM 661 CA GLU A 92 3.187 28.805 8.731 1.00 0.00 ATOM 662 CB GLU A 92 2.870 30.271 9.030 1.00 0.00 ATOM 663 CG GLU A 92 4.094 31.170 9.099 1.00 0.00 ATOM 664 CD GLU A 92 3.743 32.611 9.409 1.00 0.00 ATOM 665 OE1 GLU A 92 2.539 32.907 9.573 1.00 0.00 ATOM 666 OE2 GLU A 92 4.668 33.445 9.489 1.00 0.00 ATOM 667 O GLU A 92 3.782 28.309 11.004 1.00 0.00 ATOM 668 C GLU A 92 4.110 28.270 9.821 1.00 0.00 ATOM 669 N MET A 93 5.277 27.785 9.421 1.00 0.00 ATOM 670 CA MET A 93 6.224 27.232 10.377 1.00 0.00 ATOM 671 CB MET A 93 6.706 25.862 9.906 1.00 0.00 ATOM 672 CG MET A 93 5.596 24.868 9.583 1.00 0.00 ATOM 673 SD MET A 93 4.648 24.311 11.016 1.00 0.00 ATOM 674 CE MET A 93 5.614 22.891 11.521 1.00 0.00 ATOM 675 O MET A 93 8.011 28.578 9.526 1.00 0.00 ATOM 676 C MET A 93 7.490 28.055 10.510 1.00 0.00 ATOM 677 N GLN A 94 7.986 28.152 11.739 1.00 0.00 ATOM 678 CA GLN A 94 9.246 28.827 12.005 1.00 0.00 ATOM 679 CB GLN A 94 9.144 29.943 13.014 1.00 0.00 ATOM 680 CG GLN A 94 10.348 30.862 12.766 1.00 0.00 ATOM 681 CD GLN A 94 9.948 32.333 12.672 1.00 0.00 ATOM 682 OE1 GLN A 94 10.683 33.152 12.105 1.00 0.00 ATOM 683 NE2 GLN A 94 8.759 32.648 13.168 1.00 0.00 ATOM 684 O GLN A 94 9.847 26.897 13.288 1.00 0.00 ATOM 685 C GLN A 94 10.161 27.677 12.386 1.00 0.00 ATOM 686 N VAL A 95 11.265 27.529 11.674 1.00 0.00 ATOM 687 CA VAL A 95 12.131 26.371 11.829 1.00 0.00 ATOM 688 CB VAL A 95 12.045 25.330 10.698 1.00 0.00 ATOM 689 CG1 VAL A 95 10.649 24.726 10.635 1.00 0.00 ATOM 690 CG2 VAL A 95 12.351 25.975 9.356 1.00 0.00 ATOM 691 O VAL A 95 13.869 27.988 11.520 1.00 0.00 ATOM 692 C VAL A 95 13.573 26.842 11.858 1.00 0.00 ATOM 693 N VAL A 96 14.465 25.956 12.290 1.00 0.00 ATOM 694 CA VAL A 96 15.877 26.282 12.379 1.00 0.00 ATOM 695 CB VAL A 96 16.196 26.923 13.742 1.00 0.00 ATOM 696 CG1 VAL A 96 15.855 25.965 14.874 1.00 0.00 ATOM 697 CG2 VAL A 96 17.673 27.269 13.835 1.00 0.00 ATOM 698 O VAL A 96 16.419 23.974 12.742 1.00 0.00 ATOM 699 C VAL A 96 16.747 25.040 12.220 1.00 0.00 ATOM 700 N ALA A 97 17.824 25.168 11.457 1.00 0.00 ATOM 701 CA ALA A 97 18.734 24.050 11.228 1.00 0.00 ATOM 702 CB ALA A 97 19.764 24.369 10.171 1.00 0.00 ATOM 703 O ALA A 97 19.883 24.517 13.292 1.00 0.00 ATOM 704 C ALA A 97 19.301 23.682 12.599 1.00 0.00 ATOM 705 N GLY A 98 19.013 22.459 13.040 1.00 0.00 ATOM 706 CA GLY A 98 19.460 22.040 14.372 1.00 0.00 ATOM 707 O GLY A 98 21.264 20.665 13.552 1.00 0.00 ATOM 708 C GLY A 98 20.882 21.493 14.382 1.00 0.00 ATOM 709 N GLY A 99 21.667 21.996 15.337 1.00 0.00 ATOM 710 CA GLY A 99 23.048 21.564 15.447 1.00 0.00 ATOM 711 O GLY A 99 22.332 19.392 16.168 1.00 0.00 ATOM 712 C GLY A 99 23.177 20.046 15.564 1.00 0.00 ATOM 713 N ASP A 100 24.233 19.498 14.965 1.00 0.00 ATOM 714 CA ASP A 100 24.481 18.058 14.972 1.00 0.00 ATOM 715 CB ASP A 100 24.773 17.719 16.497 1.00 0.00 ATOM 716 CG ASP A 100 26.086 18.339 16.944 1.00 0.00 ATOM 717 OD1 ASP A 100 26.985 18.504 16.090 1.00 0.00 ATOM 718 OD2 ASP A 100 26.231 18.650 18.149 1.00 0.00 ATOM 719 O ASP A 100 23.119 16.079 15.006 1.00 0.00 ATOM 720 C ASP A 100 23.309 17.193 14.507 1.00 0.00 ATOM 721 N VAL A 101 22.470 17.796 13.574 1.00 0.00 ATOM 722 CA VAL A 101 21.368 16.938 13.168 1.00 0.00 ATOM 723 CB VAL A 101 20.002 17.659 13.277 1.00 0.00 ATOM 724 CG1 VAL A 101 18.883 16.738 12.798 1.00 0.00 ATOM 725 CG2 VAL A 101 19.756 18.086 14.724 1.00 0.00 ATOM 726 O VAL A 101 21.912 17.284 10.842 1.00 0.00 ATOM 727 C VAL A 101 21.460 16.521 11.702 1.00 0.00 ATOM 728 N SER A 102 21.037 15.291 11.429 1.00 0.00 ATOM 729 CA SER A 102 21.082 14.740 10.085 1.00 0.00 ATOM 730 CB SER A 102 22.284 13.831 9.879 1.00 0.00 ATOM 731 OG SER A 102 22.137 12.606 10.582 1.00 0.00 ATOM 732 O SER A 102 19.096 13.623 10.814 1.00 0.00 ATOM 733 C SER A 102 19.893 13.810 9.901 1.00 0.00 ATOM 734 N GLU A 103 19.804 13.229 8.702 1.00 0.00 ATOM 735 CA GLU A 103 18.688 12.339 8.408 1.00 0.00 ATOM 736 CB GLU A 103 18.673 12.056 6.880 1.00 0.00 ATOM 737 CG GLU A 103 18.283 13.258 6.038 1.00 0.00 ATOM 738 CD GLU A 103 18.482 13.028 4.555 1.00 0.00 ATOM 739 OE1 GLU A 103 18.100 13.917 3.763 1.00 0.00 ATOM 740 OE2 GLU A 103 19.026 11.969 4.177 1.00 0.00 ATOM 741 O GLU A 103 17.768 10.564 9.736 1.00 0.00 ATOM 742 C GLU A 103 18.782 11.090 9.279 1.00 0.00 ATOM 743 N THR A 104 20.003 10.614 9.505 1.00 0.00 ATOM 744 CA THR A 104 20.214 9.426 10.324 1.00 0.00 ATOM 745 CB THR A 104 21.685 8.962 10.253 1.00 0.00 ATOM 746 CG2 THR A 104 21.878 7.659 11.016 1.00 0.00 ATOM 747 OG1 THR A 104 22.039 8.749 8.880 1.00 0.00 ATOM 748 O THR A 104 19.234 8.953 12.464 1.00 0.00 ATOM 749 C THR A 104 19.844 9.759 11.767 1.00 0.00 ATOM 750 N SER A 105 20.200 10.954 12.191 1.00 0.00 ATOM 751 CA SER A 105 19.894 11.382 13.552 1.00 0.00 ATOM 752 CB SER A 105 20.500 12.765 13.818 1.00 0.00 ATOM 753 OG SER A 105 20.134 13.259 15.098 1.00 0.00 ATOM 754 O SER A 105 17.852 11.030 14.777 1.00 0.00 ATOM 755 C SER A 105 18.380 11.470 13.754 1.00 0.00 ATOM 756 N VAL A 106 17.678 12.034 12.769 1.00 0.00 ATOM 757 CA VAL A 106 16.233 12.178 12.863 1.00 0.00 ATOM 758 CB VAL A 106 15.809 13.628 13.166 1.00 0.00 ATOM 759 CG1 VAL A 106 16.386 14.072 14.504 1.00 0.00 ATOM 760 CG2 VAL A 106 16.284 14.543 12.054 1.00 0.00 ATOM 761 O VAL A 106 16.271 11.548 10.550 1.00 0.00 ATOM 762 C VAL A 106 15.584 11.759 11.550 1.00 0.00 ENDMDL EXPDTA 2iwoA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2iwoA ATOM 1 N LEU 11 17.562 30.564 10.330 1.00 0.00 ATOM 2 CA LEU 11 16.077 30.578 10.599 1.00 0.00 ATOM 3 CB LEU 11 15.687 31.710 11.557 1.00 0.00 ATOM 4 CG LEU 11 14.250 31.551 12.085 1.00 0.00 ATOM 5 CD1 LEU 11 14.120 30.530 13.219 1.00 0.00 ATOM 6 CD2 LEU 11 13.607 32.886 12.479 1.00 0.00 ATOM 7 O LEU 11 15.394 31.721 8.618 1.00 0.00 ATOM 8 C LEU 11 15.260 30.723 9.322 1.00 0.00 ATOM 9 N ARG 12 14.376 29.765 9.031 1.00 0.00 ATOM 10 CA ARG 12 13.531 29.828 7.887 1.00 0.00 ATOM 11 CB ARG 12 13.801 28.661 6.920 1.00 0.00 ATOM 12 CG ARG 12 15.026 28.840 6.039 1.00 0.00 ATOM 13 CD ARG 12 15.456 27.501 5.473 1.00 0.00 ATOM 14 NE ARG 12 16.219 26.771 6.484 1.00 0.00 ATOM 15 CZ ARG 12 16.029 25.508 6.857 1.00 0.00 ATOM 16 NH1 ARG 12 15.144 24.717 6.267 1.00 0.00 ATOM 17 NH2 ARG 12 16.803 25.017 7.804 1.00 0.00 ATOM 18 O ARG 12 11.740 29.050 9.283 1.00 0.00 ATOM 19 C ARG 12 12.086 29.764 8.329 1.00 0.00 ATOM 20 N THR 13 11.257 30.567 7.679 1.00 0.00 ATOM 21 CA THR 13 9.828 30.602 7.948 1.00 0.00 ATOM 22 CB THR 13 9.384 32.022 8.146 1.00 0.00 ATOM 23 CG2 THR 13 7.876 32.068 8.346 1.00 0.00 ATOM 24 OG1 THR 13 10.064 32.531 9.296 1.00 0.00 ATOM 25 O THR 13 9.318 30.422 5.635 1.00 0.00 ATOM 26 C THR 13 9.100 30.010 6.768 1.00 0.00 ATOM 27 N VAL 14 8.204 29.074 7.028 1.00 0.00 ATOM 28 CA VAL 14 7.504 28.364 5.957 1.00 0.00 ATOM 29 CB VAL 14 7.977 26.890 5.929 1.00 0.00 ATOM 30 CG1 VAL 14 7.741 26.267 4.591 1.00 0.00 ATOM 31 CG2 VAL 14 9.504 26.833 6.244 1.00 0.00 ATOM 32 O VAL 14 5.562 28.423 7.319 1.00 0.00 ATOM 33 C VAL 14 6.009 28.468 6.186 1.00 0.00 ATOM 34 N GLU 15 5.247 28.674 5.120 1.00 0.00 ATOM 35 CA GLU 15 3.800 28.655 5.143 1.00 0.00 ATOM 36 CB GLU 15 3.276 29.970 4.546 1.00 0.00 ATOM 37 CG GLU 15 3.118 31.082 5.559 1.00 0.00 ATOM 38 CD GLU 15 1.844 30.936 6.355 1.00 0.00 ATOM 39 OE1 GLU 15 0.885 30.357 5.799 1.00 0.00 ATOM 40 OE2 GLU 15 1.797 31.384 7.523 1.00 0.00 ATOM 41 O GLU 15 3.788 27.369 3.132 1.00 0.00 ATOM 42 C GLU 15 3.371 27.459 4.275 1.00 0.00 ATOM 43 N MET 16 2.613 26.509 4.823 1.00 0.00 ATOM 44 CA MET 16 2.129 25.373 4.030 1.00 0.00 ATOM 45 CB MET 16 2.772 24.087 4.540 1.00 0.00 ATOM 46 CG MET 16 4.285 24.126 4.560 1.00 0.00 ATOM 47 SD MET 16 4.843 22.638 5.368 1.00 0.00 ATOM 48 CE MET 16 4.699 23.100 7.085 1.00 0.00 ATOM 49 O MET 16 0.035 25.527 5.159 1.00 0.00 ATOM 50 C MET 16 0.607 25.224 4.129 1.00 0.00 ATOM 51 N LYS 17 -0.032 24.746 3.060 1.00 0.00 ATOM 52 CA LYS 17 -1.452 24.356 3.087 1.00 0.00 ATOM 53 CB LYS 17 -2.197 25.070 1.960 1.00 0.00 ATOM 54 CG LYS 17 -2.089 26.598 2.016 1.00 0.00 ATOM 55 O LYS 17 -0.916 22.336 1.978 1.00 0.00 ATOM 56 C LYS 17 -1.540 22.849 2.887 1.00 0.00 ATOM 57 N LYS 18 -2.302 22.116 3.712 1.00 0.00 ATOM 58 CA LYS 18 -2.291 20.634 3.595 1.00 0.00 ATOM 59 CB LYS 18 -3.174 19.989 4.674 1.00 0.00 ATOM 60 CG LYS 18 -2.511 19.970 6.037 1.00 0.00 ATOM 61 CD LYS 18 -3.386 19.366 7.093 1.00 0.00 ATOM 62 CE LYS 18 -2.598 19.200 8.349 1.00 0.00 ATOM 63 NZ LYS 18 -3.386 18.597 9.395 1.00 0.00 ATOM 64 O LYS 18 -3.479 20.610 1.460 1.00 0.00 ATOM 65 C LYS 18 -2.655 20.056 2.206 1.00 0.00 ATOM 66 N SER 23 -2.433 15.847 4.634 1.00 0.00 ATOM 67 CA SER 23 -1.138 15.630 5.313 1.00 0.00 ATOM 68 CB SER 23 -0.622 14.206 5.007 1.00 0.00 ATOM 69 OG SER 23 0.636 13.986 5.618 1.00 0.00 ATOM 70 O SER 23 -0.051 17.114 3.774 1.00 0.00 ATOM 71 C SER 23 -0.065 16.654 4.905 1.00 0.00 ATOM 72 N LEU 24 0.835 16.995 5.824 1.00 0.00 ATOM 73 CA LEU 24 1.980 17.841 5.467 1.00 0.00 ATOM 74 CB LEU 24 2.513 18.585 6.679 1.00 0.00 ATOM 75 CG LEU 24 1.496 19.531 7.317 1.00 0.00 ATOM 76 CD1 LEU 24 1.981 20.017 8.719 1.00 0.00 ATOM 77 CD2 LEU 24 1.256 20.710 6.414 1.00 0.00 ATOM 78 O LEU 24 4.010 17.600 4.259 1.00 0.00 ATOM 79 C LEU 24 3.127 17.039 4.873 1.00 0.00 ATOM 80 N GLY 25 3.150 15.729 5.086 1.00 0.00 ATOM 81 CA GLY 25 4.177 14.909 4.519 1.00 0.00 ATOM 82 O GLY 25 6.587 15.069 4.670 1.00 0.00 ATOM 83 C GLY 25 5.493 15.071 5.258 1.00 0.00 ATOM 84 N ILE 26 5.400 15.211 6.562 1.00 0.00 ATOM 85 CA ILE 26 6.605 15.113 7.395 1.00 0.00 ATOM 86 CB ILE 26 7.097 16.473 7.893 1.00 0.00 ATOM 87 CG1 ILE 26 6.053 17.184 8.678 1.00 0.00 ATOM 88 CG2 ILE 26 7.522 17.353 6.731 1.00 0.00 ATOM 89 CD1 ILE 26 6.548 18.600 9.147 1.00 0.00 ATOM 90 O ILE 26 5.227 14.088 9.083 1.00 0.00 ATOM 91 C ILE 26 6.360 14.216 8.588 1.00 0.00 ATOM 92 N SER 27 7.468 13.655 9.085 1.00 0.00 ATOM 93 CA SER 27 7.466 12.812 10.246 1.00 0.00 ATOM 94 CB SER 27 8.165 11.486 9.943 1.00 0.00 ATOM 95 OG SER 27 7.374 10.740 9.025 1.00 0.00 ATOM 96 O SER 27 9.413 13.872 11.054 1.00 0.00 ATOM 97 C SER 27 8.250 13.549 11.303 1.00 0.00 ATOM 98 N ILE 28 7.629 13.829 12.441 1.00 0.00 ATOM 99 CA ILE 28 8.309 14.611 13.475 1.00 0.00 ATOM 100 CB ILE 28 7.551 15.852 13.921 1.00 0.00 ATOM 101 CG1 ILE 28 6.230 15.476 14.512 1.00 0.00 ATOM 102 CG2 ILE 28 7.453 16.917 12.727 1.00 0.00 ATOM 103 CD1 ILE 28 5.625 16.597 15.423 1.00 0.00 ATOM 104 O ILE 28 8.015 12.734 14.953 1.00 0.00 ATOM 105 C ILE 28 8.677 13.754 14.665 1.00 0.00 ATOM 106 N ALA 29 9.793 14.117 15.273 1.00 0.00 ATOM 107 CA ALA 29 10.363 13.400 16.388 1.00 0.00 ATOM 108 CB ALA 29 11.526 12.539 15.937 1.00 0.00 ATOM 109 O ALA 29 10.653 15.607 17.264 1.00 0.00 ATOM 110 C ALA 29 10.814 14.418 17.447 1.00 0.00 ATOM 111 N GLY 30 11.343 13.948 18.562 1.00 0.00 ATOM 112 CA GLY 30 11.823 14.840 19.612 1.00 0.00 ATOM 113 O GLY 30 9.643 14.779 20.555 1.00 0.00 ATOM 114 C GLY 30 10.737 15.318 20.515 1.00 0.00 ATOM 115 N GLY 31 11.046 16.398 21.224 1.00 0.00 ATOM 116 CA GLY 31 10.151 16.978 22.181 1.00 0.00 ATOM 117 O GLY 31 11.516 15.985 23.907 1.00 0.00 ATOM 118 C GLY 31 10.590 16.768 23.620 1.00 0.00 ATOM 119 N VAL 32 9.945 17.501 24.526 1.00 0.00 ATOM 120 CA VAL 32 10.082 17.255 25.968 1.00 0.00 ATOM 121 CB VAL 32 9.177 18.235 26.789 1.00 0.00 ATOM 122 CG1 VAL 32 9.166 17.876 28.275 1.00 0.00 ATOM 123 CG2 VAL 32 9.640 19.663 26.530 1.00 0.00 ATOM 124 O VAL 32 8.665 15.344 25.843 1.00 0.00 ATOM 125 C VAL 32 9.698 15.809 26.267 1.00 0.00 ATOM 126 N GLY 33 10.550 15.082 26.971 1.00 0.00 ATOM 127 CA GLY 33 10.202 13.755 27.382 1.00 0.00 ATOM 128 O GLY 33 9.919 11.575 26.458 1.00 0.00 ATOM 129 C GLY 33 10.427 12.714 26.313 1.00 0.00 ATOM 130 N SER 34 11.173 13.078 25.258 1.00 0.00 ATOM 131 CA SER 34 11.533 12.109 24.177 1.00 0.00 ATOM 132 CB SER 34 12.288 12.796 22.997 1.00 0.00 ATOM 133 OG SER 34 13.714 12.724 23.169 1.00 0.00 ATOM 134 O SER 34 12.963 11.114 25.848 1.00 0.00 ATOM 135 C SER 34 12.409 11.001 24.747 1.00 0.00 ATOM 136 N PRO 35 12.580 9.910 23.974 1.00 0.00 ATOM 137 CA PRO 35 13.472 8.840 24.492 1.00 0.00 ATOM 138 CB PRO 35 13.466 7.817 23.355 1.00 0.00 ATOM 139 CG PRO 35 12.201 8.082 22.598 1.00 0.00 ATOM 140 CD PRO 35 11.961 9.557 22.697 1.00 0.00 ATOM 141 O PRO 35 15.552 8.619 25.657 1.00 0.00 ATOM 142 C PRO 35 14.913 9.261 24.819 1.00 0.00 ATOM 143 N LEU 36 15.419 10.316 24.179 1.00 0.00 ATOM 144 CA LEU 36 16.757 10.839 24.455 1.00 0.00 ATOM 145 CB LEU 36 17.424 11.304 23.152 1.00 0.00 ATOM 146 CG LEU 36 17.922 10.218 22.195 1.00 0.00 ATOM 147 CD1 LEU 36 18.268 10.816 20.863 1.00 0.00 ATOM 148 CD2 LEU 36 19.120 9.515 22.788 1.00 0.00 ATOM 149 O LEU 36 17.762 12.679 25.642 1.00 0.00 ATOM 150 C LEU 36 16.743 12.025 25.450 1.00 0.00 ATOM 151 N GLY 37 15.602 12.292 26.063 1.00 0.00 ATOM 152 CA GLY 37 15.468 13.360 27.030 1.00 0.00 ATOM 153 O GLY 37 14.081 14.339 25.330 1.00 0.00 ATOM 154 C GLY 37 14.790 14.523 26.319 1.00 0.00 ATOM 155 N ASP 38 14.972 15.717 26.851 1.00 0.00 ATOM 156 CA ASP 38 14.231 16.874 26.317 1.00 0.00 ATOM 157 CB ASP 38 14.106 17.967 27.394 1.00 0.00 ATOM 158 CG ASP 38 13.266 17.526 28.571 1.00 0.00 ATOM 159 OD1 ASP 38 12.526 16.526 28.464 1.00 0.00 ATOM 160 OD2 ASP 38 13.342 18.181 29.631 1.00 0.00 ATOM 161 O ASP 38 16.129 18.014 25.426 1.00 0.00 ATOM 162 C ASP 38 15.063 17.403 25.189 1.00 0.00 ATOM 163 N VAL 39 14.595 17.150 23.977 1.00 0.00 ATOM 164 CA VAL 39 15.256 17.630 22.791 1.00 0.00 ATOM 165 CB VAL 39 15.951 16.504 21.969 1.00 0.00 ATOM 166 CG1 VAL 39 16.909 15.688 22.851 1.00 0.00 ATOM 167 CG2 VAL 39 14.948 15.611 21.266 1.00 0.00 ATOM 168 O VAL 39 13.038 18.169 21.963 1.00 0.00 ATOM 169 C VAL 39 14.244 18.395 21.912 1.00 0.00 ATOM 170 N PRO 40 14.738 19.373 21.147 1.00 0.00 ATOM 171 CA PRO 40 13.862 20.073 20.236 1.00 0.00 ATOM 172 CB PRO 40 14.833 20.952 19.422 1.00 0.00 ATOM 173 CG PRO 40 15.928 21.221 20.354 1.00 0.00 ATOM 174 CD PRO 40 16.083 19.928 21.164 1.00 0.00 ATOM 175 O PRO 40 13.655 18.159 18.776 1.00 0.00 ATOM 176 C PRO 40 13.117 19.145 19.264 1.00 0.00 ATOM 177 N ILE 41 11.882 19.488 18.988 1.00 0.00 ATOM 178 CA ILE 41 11.096 18.820 17.922 1.00 0.00 ATOM 179 CB ILE 41 9.705 19.491 17.803 1.00 0.00 ATOM 180 CG1 ILE 41 8.863 19.377 19.092 1.00 0.00 ATOM 181 CG2 ILE 41 8.947 18.969 16.604 1.00 0.00 ATOM 182 CD1 ILE 41 8.301 18.013 19.382 1.00 0.00 ATOM 183 O ILE 41 12.357 19.964 16.272 1.00 0.00 ATOM 184 C ILE 41 11.825 18.934 16.611 1.00 0.00 ATOM 185 N PHE 42 11.898 17.845 15.857 1.00 0.00 ATOM 186 CA PHE 42 12.673 17.845 14.616 1.00 0.00 ATOM 187 CB PHE 42 14.126 17.413 14.817 1.00 0.00 ATOM 188 CG PHE 42 14.324 15.981 15.210 1.00 0.00 ATOM 189 CD1 PHE 42 14.686 15.035 14.264 1.00 0.00 ATOM 190 CD2 PHE 42 14.306 15.621 16.539 1.00 0.00 ATOM 191 CE1 PHE 42 14.934 13.726 14.668 1.00 0.00 ATOM 192 CE2 PHE 42 14.560 14.331 16.923 1.00 0.00 ATOM 193 CZ PHE 42 14.877 13.393 15.961 1.00 0.00 ATOM 194 O PHE 42 11.190 16.171 13.858 1.00 0.00 ATOM 195 C PHE 42 12.026 17.011 13.528 1.00 0.00 ATOM 196 N ILE 43 12.387 17.316 12.275 1.00 0.00 ATOM 197 CA ILE 43 11.952 16.578 11.078 1.00 0.00 ATOM 198 CB ILE 43 11.912 17.457 9.798 1.00 0.00 ATOM 199 CG1 ILE 43 11.013 18.675 10.062 1.00 0.00 ATOM 200 CG2 ILE 43 11.364 16.627 8.628 1.00 0.00 ATOM 201 CD1 ILE 43 10.955 19.633 8.887 1.00 0.00 ATOM 202 O ILE 43 14.025 15.505 10.537 1.00 0.00 ATOM 203 C ILE 43 12.864 15.369 10.888 1.00 0.00 ATOM 204 N ALA 44 12.305 14.189 11.151 1.00 0.00 ATOM 205 CA ALA 44 13.057 12.914 11.041 1.00 0.00 ATOM 206 CB ALA 44 12.580 11.921 12.095 1.00 0.00 ATOM 207 O ALA 44 13.873 11.532 9.251 1.00 0.00 ATOM 208 C ALA 44 12.970 12.258 9.647 1.00 0.00 ATOM 209 N MET 45 11.895 12.533 8.913 1.00 0.00 ATOM 210 CA MET 45 11.660 12.054 7.542 1.00 0.00 ATOM 211 CB MET 45 11.016 10.667 7.541 1.00 0.00 ATOM 212 CG MET 45 11.908 9.570 8.087 1.00 0.00 ATOM 213 SD MET 45 11.155 7.937 7.770 1.00 0.00 ATOM 214 CE MET 45 9.701 8.059 8.761 1.00 0.00 ATOM 215 O MET 45 9.966 13.798 7.513 1.00 0.00 ATOM 216 C MET 45 10.686 13.016 6.843 1.00 0.00 ATOM 217 N MET 46 10.644 12.927 5.518 1.00 0.00 ATOM 218 CA MET 46 9.723 13.768 4.744 1.00 0.00 ATOM 219 CB MET 46 10.418 15.015 4.211 1.00 0.00 ATOM 220 CG MET 46 10.514 16.154 5.206 1.00 0.00 ATOM 221 SD MET 46 11.275 17.666 4.497 1.00 0.00 ATOM 222 CE MET 46 10.463 17.640 3.018 1.00 0.00 ATOM 223 O MET 46 10.072 12.225 2.966 1.00 0.00 ATOM 224 C MET 46 9.256 12.900 3.586 1.00 0.00 ATOM 225 N HIS 47 7.958 12.909 3.310 1.00 0.00 ATOM 226 CA HIS 47 7.436 12.242 2.127 1.00 0.00 ATOM 227 CB HIS 47 5.904 12.303 2.134 1.00 0.00 ATOM 228 CG HIS 47 5.271 11.488 1.054 1.00 0.00 ATOM 229 CD2 HIS 47 4.715 11.842 -0.133 1.00 0.00 ATOM 230 ND1 HIS 47 5.161 10.113 1.134 1.00 0.00 ATOM 231 CE1 HIS 47 4.565 9.658 0.044 1.00 0.00 ATOM 232 NE2 HIS 47 4.289 10.686 -0.743 1.00 0.00 ATOM 233 O HIS 47 7.871 14.168 0.775 1.00 0.00 ATOM 234 C HIS 47 7.967 12.937 0.893 1.00 0.00 ATOM 235 N PRO 48 8.509 12.184 -0.078 1.00 0.00 ATOM 236 CA PRO 48 9.176 12.855 -1.208 1.00 0.00 ATOM 237 CB PRO 48 9.636 11.681 -2.099 1.00 0.00 ATOM 238 CG PRO 48 9.650 10.511 -1.211 1.00 0.00 ATOM 239 CD PRO 48 8.562 10.712 -0.208 1.00 0.00 ATOM 240 O PRO 48 8.834 14.824 -2.571 1.00 0.00 ATOM 241 C PRO 48 8.298 13.837 -2.038 1.00 0.00 ATOM 242 N THR 49 7.003 13.548 -2.152 1.00 0.00 ATOM 243 CA THR 49 6.082 14.350 -2.968 1.00 0.00 ATOM 244 CB THR 49 5.335 13.477 -3.992 1.00 0.00 ATOM 245 CG2 THR 49 6.314 12.865 -5.003 1.00 0.00 ATOM 246 OG1 THR 49 4.645 12.448 -3.272 1.00 0.00 ATOM 247 O THR 49 4.130 15.700 -2.717 1.00 0.00 ATOM 248 C THR 49 5.055 15.115 -2.158 1.00 0.00 ATOM 249 N GLY 50 5.232 15.150 -0.841 1.00 0.00 ATOM 250 CA GLY 50 4.297 15.847 0.024 1.00 0.00 ATOM 251 O GLY 50 5.323 17.940 -0.640 1.00 0.00 ATOM 252 C GLY 50 4.403 17.366 -0.033 1.00 0.00 ATOM 253 N VAL 51 3.537 18.010 0.754 1.00 0.00 ATOM 254 CA VAL 51 3.471 19.491 0.797 1.00 0.00 ATOM 255 CB VAL 51 2.271 19.945 1.657 1.00 0.00 ATOM 256 CG1 VAL 51 2.368 21.400 1.963 1.00 0.00 ATOM 257 CG2 VAL 51 0.967 19.661 0.919 1.00 0.00 ATOM 258 O VAL 51 5.261 21.095 0.754 1.00 0.00 ATOM 259 C VAL 51 4.761 20.111 1.306 1.00 0.00 ATOM 260 N ALA 52 5.362 19.506 2.329 1.00 0.00 ATOM 261 CA ALA 52 6.642 20.000 2.889 1.00 0.00 ATOM 262 CB ALA 52 7.033 19.197 4.160 1.00 0.00 ATOM 263 O ALA 52 8.508 20.904 1.695 1.00 0.00 ATOM 264 C ALA 52 7.738 19.961 1.846 1.00 0.00 ATOM 265 N ALA 53 7.800 18.851 1.100 1.00 0.00 ATOM 266 CA ALA 53 8.774 18.702 0.048 1.00 0.00 ATOM 267 CB ALA 53 8.754 17.295 -0.583 1.00 0.00 ATOM 268 O ALA 53 9.530 20.333 -1.528 1.00 0.00 ATOM 269 C ALA 53 8.578 19.766 -1.021 1.00 0.00 ATOM 270 N GLN 54 7.325 20.022 -1.348 1.00 0.00 ATOM 271 CA GLN 54 7.034 20.997 -2.383 1.00 0.00 ATOM 272 CB GLN 54 5.563 20.954 -2.725 1.00 0.00 ATOM 273 CG GLN 54 5.129 19.668 -3.435 1.00 0.00 ATOM 274 CD GLN 54 3.657 19.558 -3.496 1.00 0.00 ATOM 275 OE1 GLN 54 2.984 20.555 -3.731 1.00 0.00 ATOM 276 NE2 GLN 54 3.114 18.367 -3.251 1.00 0.00 ATOM 277 O GLN 54 7.725 23.186 -2.919 1.00 0.00 ATOM 278 C GLN 54 7.452 22.390 -2.024 1.00 0.00 ATOM 279 N THR 55 7.537 22.708 -0.724 1.00 0.00 ATOM 280 CA THR 55 8.011 24.075 -0.335 1.00 0.00 ATOM 281 CB THR 55 7.913 24.319 1.174 1.00 0.00 ATOM 282 CG2 THR 55 6.534 24.015 1.722 1.00 0.00 ATOM 283 OG1 THR 55 8.937 23.570 1.855 1.00 0.00 ATOM 284 O THR 55 9.804 25.506 -1.041 1.00 0.00 ATOM 285 C THR 55 9.444 24.363 -0.775 1.00 0.00 ATOM 286 N GLN 56 10.268 23.320 -0.858 1.00 0.00 ATOM 287 CA GLN 56 11.701 23.431 -1.115 1.00 0.00 ATOM 288 CB GLN 56 11.955 23.827 -2.604 1.00 0.00 ATOM 289 CG GLN 56 11.464 22.747 -3.582 1.00 0.00 ATOM 290 CD GLN 56 12.370 21.563 -3.642 1.00 0.00 ATOM 291 OE1 GLN 56 13.450 21.619 -4.233 1.00 0.00 ATOM 292 NE2 GLN 56 11.934 20.465 -3.051 1.00 0.00 ATOM 293 O GLN 56 13.505 24.859 -0.371 1.00 0.00 ATOM 294 C GLN 56 12.421 24.308 -0.110 1.00 0.00 ATOM 295 N LYS 57 11.847 24.397 1.082 1.00 0.00 ATOM 296 CA LYS 57 12.395 25.212 2.177 1.00 0.00 ATOM 297 CB LYS 57 11.523 26.440 2.464 1.00 0.00 ATOM 298 CG LYS 57 11.185 27.311 1.261 1.00 0.00 ATOM 299 O LYS 57 12.943 25.033 4.443 1.00 0.00 ATOM 300 C LYS 57 12.516 24.451 3.478 1.00 0.00 ATOM 301 N LEU 58 12.087 23.182 3.524 1.00 0.00 ATOM 302 CA LEU 58 12.253 22.355 4.732 1.00 0.00 ATOM 303 CB LEU 58 10.924 21.826 5.203 1.00 0.00 ATOM 304 CG LEU 58 9.888 22.842 5.617 1.00 0.00 ATOM 305 CD1 LEU 58 8.552 22.129 5.772 1.00 0.00 ATOM 306 CD2 LEU 58 10.350 23.478 6.921 1.00 0.00 ATOM 307 O LEU 58 13.172 20.744 3.267 1.00 0.00 ATOM 308 C LEU 58 13.176 21.213 4.397 1.00 0.00 ATOM 309 N ARG 59 13.969 20.788 5.374 1.00 0.00 ATOM 310 CA ARG 59 14.930 19.712 5.183 1.00 0.00 ATOM 311 CB ARG 59 16.346 20.265 5.196 1.00 0.00 ATOM 312 CG ARG 59 16.720 21.234 4.040 1.00 0.00 ATOM 313 O ARG 59 14.516 19.106 7.502 1.00 0.00 ATOM 314 C ARG 59 14.800 18.733 6.352 1.00 0.00 ATOM 315 N VAL 60 15.013 17.460 6.045 1.00 0.00 ATOM 316 CA VAL 60 15.185 16.507 7.113 1.00 0.00 ATOM 317 CB VAL 60 15.367 15.075 6.548 1.00 0.00 ATOM 318 CG1 VAL 60 15.786 14.148 7.606 1.00 0.00 ATOM 319 CG2 VAL 60 14.071 14.565 5.911 1.00 0.00 ATOM 320 O VAL 60 17.393 17.423 7.491 1.00 0.00 ATOM 321 C VAL 60 16.348 16.968 7.985 1.00 0.00 ATOM 322 N GLY 61 16.143 16.888 9.274 1.00 0.00 ATOM 323 CA GLY 61 17.071 17.384 10.285 1.00 0.00 ATOM 324 O GLY 61 17.402 19.215 11.788 1.00 0.00 ATOM 325 C GLY 61 16.777 18.771 10.810 1.00 0.00 ATOM 326 N ASP 62 15.866 19.496 10.156 1.00 0.00 ATOM 327 CA ASP 62 15.455 20.802 10.686 1.00 0.00 ATOM 328 CB ASP 62 14.432 21.465 9.758 1.00 0.00 ATOM 329 CG ASP 62 15.049 22.081 8.534 1.00 0.00 ATOM 330 OD1 ASP 62 16.289 22.159 8.447 1.00 0.00 ATOM 331 OD2 ASP 62 14.271 22.463 7.617 1.00 0.00 ATOM 332 O ASP 62 14.073 19.658 12.286 1.00 0.00 ATOM 333 C ASP 62 14.851 20.622 12.049 1.00 0.00 ATOM 334 N ARG 63 15.143 21.582 12.937 1.00 0.00 ATOM 335 CA ARG 63 14.512 21.642 14.270 1.00 0.00 ATOM 336 CB ARG 63 15.537 21.899 15.368 1.00 0.00 ATOM 337 CG ARG 63 16.065 20.601 15.994 1.00 0.00 ATOM 338 CD ARG 63 16.816 19.793 14.995 1.00 0.00 ATOM 339 NE ARG 63 17.365 18.636 15.705 1.00 0.00 ATOM 340 CZ ARG 63 18.305 17.860 15.183 1.00 0.00 ATOM 341 NH1 ARG 63 18.721 18.022 13.935 1.00 0.00 ATOM 342 NH2 ARG 63 18.784 16.875 15.921 1.00 0.00 ATOM 343 O ARG 63 13.641 23.777 13.616 1.00 0.00 ATOM 344 C ARG 63 13.431 22.714 14.214 1.00 0.00 ATOM 345 N ILE 64 12.270 22.396 14.793 1.00 0.00 ATOM 346 CA ILE 64 11.088 23.249 14.674 1.00 0.00 ATOM 347 CB ILE 64 9.812 22.433 14.467 1.00 0.00 ATOM 348 CG1 ILE 64 9.922 21.493 13.255 1.00 0.00 ATOM 349 CG2 ILE 64 8.595 23.424 14.407 1.00 0.00 ATOM 350 CD1 ILE 64 8.767 20.501 13.069 1.00 0.00 ATOM 351 O ILE 64 10.839 23.725 17.016 1.00 0.00 ATOM 352 C ILE 64 11.009 24.155 15.881 1.00 0.00 ATOM 353 N VAL 65 11.112 25.464 15.638 1.00 0.00 ATOM 354 CA VAL 65 11.154 26.477 16.663 1.00 0.00 ATOM 355 CB VAL 65 12.039 27.692 16.213 1.00 0.00 ATOM 356 CG1 VAL 65 12.037 28.761 17.300 1.00 0.00 ATOM 357 CG2 VAL 65 13.438 27.216 15.883 1.00 0.00 ATOM 358 O VAL 65 9.471 27.262 18.181 1.00 0.00 ATOM 359 C VAL 65 9.752 27.005 17.013 1.00 0.00 ATOM 360 N THR 66 8.918 27.150 15.987 1.00 0.00 ATOM 361 CA THR 66 7.521 27.508 16.151 1.00 0.00 ATOM 362 CB THR 66 7.257 29.045 15.903 1.00 0.00 ATOM 363 CG2 THR 66 8.177 29.932 16.813 1.00 0.00 ATOM 364 OG1 THR 66 7.403 29.349 14.521 1.00 0.00 ATOM 365 O THR 66 7.020 26.383 14.069 1.00 0.00 ATOM 366 C THR 66 6.621 26.730 15.198 1.00 0.00 ATOM 367 N ILE 67 5.396 26.482 15.669 1.00 0.00 ATOM 368 CA ILE 67 4.351 25.888 14.903 1.00 0.00 ATOM 369 CB ILE 67 4.031 24.466 15.354 1.00 0.00 ATOM 370 CG1 ILE 67 5.251 23.545 15.176 1.00 0.00 ATOM 371 CG2 ILE 67 2.802 23.922 14.574 1.00 0.00 ATOM 372 CD1 ILE 67 5.132 22.143 15.939 1.00 0.00 ATOM 373 O ILE 67 2.712 27.030 16.244 1.00 0.00 ATOM 374 C ILE 67 3.067 26.745 15.098 1.00 0.00 ATOM 375 N CYS 68 2.409 27.110 14.011 1.00 0.00 ATOM 376 CA CYS 68 1.150 27.886 14.083 1.00 0.00 ATOM 377 CB CYS 68 0.042 27.036 14.627 1.00 0.00 ATOM 378 SG CYS 68 -0.367 25.723 13.442 1.00 0.00 ATOM 379 O CYS 68 0.406 29.454 15.794 1.00 0.00 ATOM 380 C CYS 68 1.302 29.112 14.979 1.00 0.00 ATOM 381 N GLY 69 2.458 29.722 14.848 1.00 0.00 ATOM 382 CA GLY 69 2.796 30.959 15.534 1.00 0.00 ATOM 383 O GLY 69 3.128 31.925 17.675 1.00 0.00 ATOM 384 C GLY 69 3.087 30.878 17.025 1.00 0.00 ATOM 385 N THR 70 3.344 29.672 17.568 1.00 0.00 ATOM 386 CA THR 70 3.624 29.486 18.948 1.00 0.00 ATOM 387 CB THR 70 2.481 28.764 19.673 1.00 0.00 ATOM 388 CG2 THR 70 1.148 29.449 19.384 1.00 0.00 ATOM 389 OG1 THR 70 2.377 27.411 19.201 1.00 0.00 ATOM 390 O THR 70 5.207 27.825 18.274 1.00 0.00 ATOM 391 C THR 70 4.916 28.702 19.086 1.00 0.00 ATOM 392 N SER 71 5.633 28.984 20.162 1.00 0.00 ATOM 393 CA SER 71 6.894 28.330 20.435 1.00 0.00 ATOM 394 CB SER 71 7.576 28.989 21.622 1.00 0.00 ATOM 395 OG SER 71 8.831 28.398 21.838 1.00 0.00 ATOM 396 O SER 71 5.835 26.451 21.434 1.00 0.00 ATOM 397 C SER 71 6.752 26.833 20.721 1.00 0.00 ATOM 398 N THR 72 7.725 26.041 20.255 1.00 0.00 ATOM 399 CA THR 72 7.761 24.617 20.619 1.00 0.00 ATOM 400 CB THR 72 8.415 23.774 19.533 1.00 0.00 ATOM 401 CG2 THR 72 7.632 23.853 18.215 1.00 0.00 ATOM 402 OG1 THR 72 9.792 24.164 19.377 1.00 0.00 ATOM 403 O THR 72 8.541 23.190 22.391 1.00 0.00 ATOM 404 C THR 72 8.479 24.347 21.948 1.00 0.00 ATOM 405 N GLU 73 9.103 25.364 22.519 1.00 0.00 ATOM 406 CA GLU 73 9.668 25.298 23.885 1.00 0.00 ATOM 407 CB GLU 73 9.985 26.701 24.438 1.00 0.00 ATOM 408 CG GLU 73 11.399 27.129 24.213 1.00 0.00 ATOM 409 CD GLU 73 12.383 26.291 24.993 1.00 0.00 ATOM 410 OE1 GLU 73 12.246 26.212 26.243 1.00 0.00 ATOM 411 OE2 GLU 73 13.275 25.703 24.337 1.00 0.00 ATOM 412 O GLU 73 7.524 25.149 25.013 1.00 0.00 ATOM 413 C GLU 73 8.654 24.664 24.821 1.00 0.00 ATOM 414 N GLY 74 9.051 23.555 25.402 1.00 0.00 ATOM 415 CA GLY 74 8.195 22.943 26.388 1.00 0.00 ATOM 416 O GLY 74 6.485 21.318 26.651 1.00 0.00 ATOM 417 C GLY 74 7.161 21.994 25.846 1.00 0.00 ATOM 418 N MET 75 7.057 21.871 24.509 1.00 0.00 ATOM 419 CA MET 75 6.129 20.946 23.913 1.00 0.00 ATOM 420 CB MET 75 5.859 21.238 22.420 1.00 0.00 ATOM 421 CG MET 75 4.804 22.225 22.133 1.00 0.00 ATOM 422 SD MET 75 4.496 22.348 20.357 1.00 0.00 ATOM 423 CE MET 75 3.686 23.970 20.414 1.00 0.00 ATOM 424 O MET 75 7.777 19.243 23.629 1.00 0.00 ATOM 425 C MET 75 6.624 19.514 23.958 1.00 0.00 ATOM 426 N THR 76 5.712 18.604 24.292 1.00 0.00 ATOM 427 CA THR 76 5.971 17.189 24.116 1.00 0.00 ATOM 428 CB THR 76 5.048 16.341 24.997 1.00 0.00 ATOM 429 CG2 THR 76 5.194 16.743 26.455 1.00 0.00 ATOM 430 OG1 THR 76 3.694 16.425 24.507 1.00 0.00 ATOM 431 O THR 76 5.148 17.470 21.868 1.00 0.00 ATOM 432 C THR 76 5.732 16.739 22.675 1.00 0.00 ATOM 433 N HIS 77 6.147 15.522 22.336 1.00 0.00 ATOM 434 CA HIS 77 5.983 15.032 20.994 1.00 0.00 ATOM 435 CB HIS 77 6.635 13.661 20.892 1.00 0.00 ATOM 436 CG HIS 77 6.552 13.060 19.546 1.00 0.00 ATOM 437 CD2 HIS 77 7.040 13.453 18.357 1.00 0.00 ATOM 438 ND1 HIS 77 5.817 11.925 19.306 1.00 0.00 ATOM 439 CE1 HIS 77 5.899 11.614 18.032 1.00 0.00 ATOM 440 NE2 HIS 77 6.657 12.504 17.436 1.00 0.00 ATOM 441 O HIS 77 4.056 15.446 19.605 1.00 0.00 ATOM 442 C HIS 77 4.490 14.972 20.679 1.00 0.00 ATOM 443 N THR 78 3.687 14.444 21.638 1.00 0.00 ATOM 444 CA THR 78 2.194 14.308 21.468 1.00 0.00 ATOM 445 CB THR 78 1.560 13.594 22.631 1.00 0.00 ATOM 446 CG2 THR 78 0.052 13.497 22.485 1.00 0.00 ATOM 447 OG1 THR 78 2.092 12.273 22.659 1.00 0.00 ATOM 448 O THR 78 0.740 15.799 20.343 1.00 0.00 ATOM 449 C THR 78 1.549 15.664 21.240 1.00 0.00 ATOM 450 N GLN 79 1.926 16.652 22.009 1.00 0.00 ATOM 451 CA GLN 79 1.394 18.012 21.819 1.00 0.00 ATOM 452 CB GLN 79 1.967 18.936 22.885 1.00 0.00 ATOM 453 CG GLN 79 1.384 18.701 24.260 1.00 0.00 ATOM 454 CD GLN 79 2.069 19.450 25.405 1.00 0.00 ATOM 455 OE1 GLN 79 3.235 19.818 25.332 1.00 0.00 ATOM 456 NE2 GLN 79 1.350 19.612 26.504 1.00 0.00 ATOM 457 O GLN 79 0.757 19.179 19.775 1.00 0.00 ATOM 458 C GLN 79 1.660 18.567 20.404 1.00 0.00 ATOM 459 N ALA 80 2.914 18.454 19.949 1.00 0.00 ATOM 460 CA ALA 80 3.261 18.961 18.609 1.00 0.00 ATOM 461 CB ALA 80 4.778 18.829 18.381 1.00 0.00 ATOM 462 O ALA 80 2.042 18.792 16.536 1.00 0.00 ATOM 463 C ALA 80 2.521 18.213 17.512 1.00 0.00 ATOM 464 N VAL 81 2.445 16.888 17.631 1.00 0.00 ATOM 465 CA VAL 81 1.773 16.099 16.630 1.00 0.00 ATOM 466 CB VAL 81 1.925 14.594 16.926 1.00 0.00 ATOM 467 CG1 VAL 81 0.974 13.796 16.060 1.00 0.00 ATOM 468 CG2 VAL 81 3.435 14.183 16.745 1.00 0.00 ATOM 469 O VAL 81 -0.292 16.605 15.518 1.00 0.00 ATOM 470 C VAL 81 0.283 16.442 16.600 1.00 0.00 ATOM 471 N ASN 82 -0.332 16.556 17.757 1.00 0.00 ATOM 472 CA ASN 82 -1.781 16.858 17.817 1.00 0.00 ATOM 473 CB ASN 82 -2.348 16.816 19.233 1.00 0.00 ATOM 474 CG ASN 82 -2.509 15.398 19.771 1.00 0.00 ATOM 475 ND2 ASN 82 -2.676 15.284 21.093 1.00 0.00 ATOM 476 OD1 ASN 82 -2.483 14.429 19.013 1.00 0.00 ATOM 477 O ASN 82 -3.087 18.398 16.519 1.00 0.00 ATOM 478 C ASN 82 -2.066 18.230 17.193 1.00 0.00 ATOM 479 N LEU 83 -1.185 19.201 17.431 1.00 0.00 ATOM 480 CA LEU 83 -1.338 20.529 16.823 1.00 0.00 ATOM 481 CB LEU 83 -0.263 21.450 17.388 1.00 0.00 ATOM 482 CG LEU 83 -0.366 22.936 17.195 1.00 0.00 ATOM 483 CD1 LEU 83 -1.691 23.431 17.836 1.00 0.00 ATOM 484 CD2 LEU 83 0.906 23.561 17.875 1.00 0.00 ATOM 485 O LEU 83 -2.143 21.047 14.603 1.00 0.00 ATOM 486 C LEU 83 -1.280 20.496 15.289 1.00 0.00 ATOM 487 N LEU 84 -0.312 19.761 14.743 1.00 0.00 ATOM 488 CA LEU 84 -0.112 19.661 13.331 1.00 0.00 ATOM 489 CB LEU 84 1.271 19.097 12.999 1.00 0.00 ATOM 490 CG LEU 84 2.403 20.075 13.316 1.00 0.00 ATOM 491 CD1 LEU 84 3.766 19.364 13.236 1.00 0.00 ATOM 492 CD2 LEU 84 2.376 21.311 12.365 1.00 0.00 ATOM 493 O LEU 84 -1.632 19.171 11.582 1.00 0.00 ATOM 494 C LEU 84 -1.204 18.835 12.673 1.00 0.00 ATOM 495 N LYS 85 -1.661 17.771 13.339 1.00 0.00 ATOM 496 CA LYS 85 -2.741 16.962 12.754 1.00 0.00 ATOM 497 CB LYS 85 -2.923 15.683 13.549 1.00 0.00 ATOM 498 CG LYS 85 -1.806 14.691 13.225 1.00 0.00 ATOM 499 CD LYS 85 -2.111 13.332 13.794 1.00 0.00 ATOM 500 CE LYS 85 -1.132 12.281 13.239 1.00 0.00 ATOM 501 NZ LYS 85 -1.695 10.909 13.400 1.00 0.00 ATOM 502 O LYS 85 -4.829 17.566 11.783 1.00 0.00 ATOM 503 C LYS 85 -4.058 17.738 12.696 1.00 0.00 ATOM 504 N ASN 86 -4.295 18.546 13.713 1.00 0.00 ATOM 505 CA ASN 86 -5.565 19.262 13.857 1.00 0.00 ATOM 506 CB ASN 86 -5.768 19.621 15.331 1.00 0.00 ATOM 507 CG ASN 86 -7.135 20.255 15.626 1.00 0.00 ATOM 508 ND2 ASN 86 -7.119 21.537 15.981 1.00 0.00 ATOM 509 OD1 ASN 86 -8.174 19.593 15.585 1.00 0.00 ATOM 510 O ASN 86 -6.681 20.863 12.468 1.00 0.00 ATOM 511 C ASN 86 -5.611 20.478 12.918 1.00 0.00 ATOM 512 N ALA 87 -4.461 21.072 12.613 1.00 0.00 ATOM 513 CA ALA 87 -4.443 22.315 11.829 1.00 0.00 ATOM 514 CB ALA 87 -3.061 22.875 11.854 1.00 0.00 ATOM 515 O ALA 87 -4.808 21.106 9.782 1.00 0.00 ATOM 516 C ALA 87 -4.927 22.164 10.399 1.00 0.00 ATOM 517 N SER 88 -5.461 23.232 9.813 1.00 0.00 ATOM 518 CA SER 88 -5.698 23.247 8.352 1.00 0.00 ATOM 519 CB SER 88 -7.042 22.588 7.971 1.00 0.00 ATOM 520 OG SER 88 -8.045 23.546 7.723 1.00 0.00 ATOM 521 O SER 88 -5.092 25.503 8.620 1.00 0.00 ATOM 522 C SER 88 -5.564 24.687 7.873 1.00 0.00 ATOM 523 N GLY 89 -5.867 24.994 6.627 1.00 0.00 ATOM 524 CA GLY 89 -5.642 26.369 6.132 1.00 0.00 ATOM 525 O GLY 89 -3.411 25.617 5.689 1.00 0.00 ATOM 526 C GLY 89 -4.141 26.553 6.021 1.00 0.00 ATOM 527 N SER 90 -3.666 27.735 6.372 1.00 0.00 ATOM 528 CA SER 90 -2.216 28.010 6.370 1.00 0.00 ATOM 529 CB SER 90 -1.955 29.490 6.113 1.00 0.00 ATOM 530 OG SER 90 -2.701 29.945 4.996 1.00 0.00 ATOM 531 O SER 90 -1.928 28.126 8.752 1.00 0.00 ATOM 532 C SER 90 -1.557 27.634 7.689 1.00 0.00 ATOM 533 N ILE 91 -0.546 26.780 7.592 1.00 0.00 ATOM 534 CA ILE 91 0.200 26.262 8.717 1.00 0.00 ATOM 535 CB ILE 91 0.220 24.713 8.676 1.00 0.00 ATOM 536 CG1 ILE 91 -1.233 24.169 8.736 1.00 0.00 ATOM 537 CG2 ILE 91 1.076 24.145 9.803 1.00 0.00 ATOM 538 CD1 ILE 91 -1.356 22.671 8.599 1.00 0.00 ATOM 539 O ILE 91 2.370 26.503 7.732 1.00 0.00 ATOM 540 C ILE 91 1.618 26.853 8.629 1.00 0.00 ATOM 541 N GLU 92 1.922 27.767 9.540 1.00 0.00 ATOM 542 CA GLU 92 3.224 28.376 9.672 1.00 0.00 ATOM 543 CB GLU 92 3.122 29.754 10.362 1.00 0.00 ATOM 544 CG GLU 92 4.523 30.377 10.721 1.00 0.00 ATOM 545 CD GLU 92 4.853 30.547 12.256 1.00 0.00 ATOM 546 OE1 GLU 92 4.889 29.544 13.120 1.00 0.00 ATOM 547 OE2 GLU 92 5.136 31.757 12.538 1.00 0.00 ATOM 548 O GLU 92 3.707 26.960 11.531 1.00 0.00 ATOM 549 C GLU 92 4.135 27.514 10.528 1.00 0.00 ATOM 550 N MET 93 5.385 27.400 10.096 1.00 0.00 ATOM 551 CA MET 93 6.420 26.719 10.827 1.00 0.00 ATOM 552 CB MET 93 6.630 25.344 10.171 1.00 0.00 ATOM 553 CG MET 93 7.537 24.488 10.863 1.00 0.00 ATOM 554 SD MET 93 7.318 22.813 10.156 1.00 0.00 ATOM 555 CE MET 93 5.781 22.360 10.867 1.00 0.00 ATOM 556 O MET 93 7.899 28.115 9.609 1.00 0.00 ATOM 557 C MET 93 7.681 27.565 10.679 1.00 0.00 ATOM 558 N GLN 94 8.459 27.750 11.744 1.00 0.00 ATOM 559 CA GLN 94 9.800 28.300 11.634 1.00 0.00 ATOM 560 CB GLN 94 9.960 29.512 12.515 1.00 0.00 ATOM 561 CG GLN 94 8.953 30.584 12.042 1.00 0.00 ATOM 562 CD GLN 94 8.975 31.789 12.934 1.00 0.00 ATOM 563 OE1 GLN 94 8.509 31.755 14.073 1.00 0.00 ATOM 564 NE2 GLN 94 9.503 32.872 12.416 1.00 0.00 ATOM 565 O GLN 94 10.503 26.608 13.123 1.00 0.00 ATOM 566 C GLN 94 10.744 27.238 12.089 1.00 0.00 ATOM 567 N VAL 95 11.845 27.110 11.359 1.00 0.00 ATOM 568 CA VAL 95 12.843 26.093 11.651 1.00 0.00 ATOM 569 CB VAL 95 12.738 24.925 10.645 1.00 0.00 ATOM 570 CG1 VAL 95 11.334 24.328 10.652 1.00 0.00 ATOM 571 CG2 VAL 95 13.103 25.314 9.215 1.00 0.00 ATOM 572 O VAL 95 14.479 27.730 11.086 1.00 0.00 ATOM 573 C VAL 95 14.238 26.676 11.664 1.00 0.00 ATOM 574 N VAL 96 15.132 25.944 12.339 1.00 0.00 ATOM 575 CA VAL 96 16.589 26.118 12.239 1.00 0.00 ATOM 576 CB VAL 96 17.211 26.535 13.584 1.00 0.00 ATOM 577 CG1 VAL 96 16.717 27.974 13.933 1.00 0.00 ATOM 578 CG2 VAL 96 16.899 25.564 14.699 1.00 0.00 ATOM 579 O VAL 96 16.684 23.722 11.890 1.00 0.00 ATOM 580 C VAL 96 17.213 24.824 11.686 1.00 0.00 ATOM 581 N ALA 97 18.306 24.977 10.945 1.00 0.00 ATOM 582 CA ALA 97 19.060 23.799 10.430 1.00 0.00 ATOM 583 CB ALA 97 20.174 24.287 9.475 1.00 0.00 ATOM 584 O ALA 97 20.143 23.610 12.561 1.00 0.00 ATOM 585 C ALA 97 19.659 23.032 11.598 1.00 0.00 ATOM 586 N GLY 98 19.727 21.704 11.492 1.00 0.00 ATOM 587 CA GLY 98 20.368 20.920 12.493 1.00 0.00 ATOM 588 O GLY 98 22.528 20.865 13.566 1.00 0.00 ATOM 589 C GLY 98 21.897 21.084 12.521 1.00 0.00 ATOM 590 N GLY 99 22.477 21.382 11.366 1.00 0.00 ATOM 591 CA GLY 99 23.882 21.757 11.298 1.00 0.00 ATOM 592 O GLY 99 26.027 20.907 11.746 1.00 0.00 ATOM 593 C GLY 99 24.845 20.640 11.534 1.00 0.00 ATOM 594 N ASP 100 24.348 19.400 11.502 1.00 0.00 ATOM 595 CA ASP 100 25.187 18.206 11.786 1.00 0.00 ATOM 596 CB ASP 100 26.282 18.031 10.721 1.00 0.00 ATOM 597 CG ASP 100 25.948 16.990 9.634 1.00 0.00 ATOM 598 OD1 ASP 100 24.790 16.551 9.475 1.00 0.00 ATOM 599 OD2 ASP 100 26.888 16.620 8.898 1.00 0.00 ATOM 600 O ASP 100 26.927 17.835 13.446 1.00 0.00 ATOM 601 C ASP 100 25.814 18.325 13.186 1.00 0.00 ATOM 602 N VAL 101 25.096 18.963 14.103 1.00 0.00 ATOM 603 CA VAL 101 25.598 19.192 15.439 1.00 0.00 ATOM 604 CB VAL 101 24.877 20.370 16.157 1.00 0.00 ATOM 605 CG1 VAL 101 25.205 20.345 17.657 1.00 0.00 ATOM 606 CG2 VAL 101 25.259 21.725 15.548 1.00 0.00 ATOM 607 O VAL 101 26.419 17.332 16.773 1.00 0.00 ATOM 608 C VAL 101 25.437 17.882 16.257 1.00 0.00 ATOM 609 N SER 102 24.216 17.356 16.333 1.00 0.00 ATOM 610 CA SER 102 23.961 16.175 17.184 1.00 0.00 ATOM 611 CB SER 102 22.663 16.385 17.968 1.00 0.00 ATOM 612 OG SER 102 21.616 16.704 17.084 1.00 0.00 ATOM 613 O SER 102 23.591 13.798 16.999 1.00 0.00 ATOM 614 C SER 102 23.874 14.856 16.408 1.00 0.00 ATOM 615 N GLU 103 24.099 14.940 15.112 1.00 0.00 ATOM 616 CA GLU 103 24.156 13.778 14.205 1.00 0.00 ATOM 617 CB GLU 103 22.751 13.337 13.800 1.00 0.00 ATOM 618 CG GLU 103 21.978 14.369 12.982 1.00 0.00 ATOM 619 CD GLU 103 21.275 15.407 13.844 1.00 0.00 ATOM 620 OE1 GLU 103 20.804 15.069 14.967 1.00 0.00 ATOM 621 OE2 GLU 103 21.209 16.581 13.397 1.00 0.00 ATOM 622 O GLU 103 25.211 15.416 12.821 1.00 0.00 ATOM 623 C GLU 103 24.950 14.207 13.019 1.00 0.00 ATOM 624 N THR 104 25.319 13.223 12.209 1.00 0.00 ATOM 625 CA THR 104 26.122 13.466 11.012 1.00 0.00 ATOM 626 CB THR 104 27.544 12.920 11.149 1.00 0.00 ATOM 627 CG2 THR 104 28.306 13.190 9.886 1.00 0.00 ATOM 628 OG1 THR 104 28.169 13.481 12.300 1.00 0.00 ATOM 629 O THR 104 25.221 11.642 9.823 1.00 0.00 ATOM 630 C THR 104 25.518 12.815 9.805 1.00 0.00 ATOM 631 N SER 105 25.376 13.601 8.732 1.00 0.00 ATOM 632 CA SER 105 24.774 13.134 7.504 1.00 0.00 ATOM 633 CB SER 105 24.249 14.308 6.689 1.00 0.00 ATOM 634 OG SER 105 23.160 14.876 7.403 1.00 0.00 ATOM 635 O SER 105 26.889 12.802 6.470 1.00 0.00 ATOM 636 C SER 105 25.792 12.324 6.723 1.00 0.00 ATOM 637 N VAL 106 25.438 11.086 6.395 1.00 0.00 ATOM 638 CA VAL 106 26.274 10.240 5.553 1.00 0.00 ATOM 639 CB VAL 106 26.874 9.073 6.388 1.00 0.00 ATOM 640 CG1 VAL 106 27.679 9.627 7.513 1.00 0.00 ATOM 641 CG2 VAL 106 25.794 8.168 6.987 1.00 0.00 ATOM 642 O VAL 106 24.252 9.928 4.164 1.00 0.00 ATOM 643 C VAL 106 25.503 9.776 4.273 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 T0366.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0366)G19.C and (T0366)P20.C only 0 apart, marking (T0366)P20.C as missing WARNING: atoms too close: (T0366)P20.N and (T0366)T21.N only 0 apart, marking (T0366)P20.N as missing WARNING: atoms too close: (T0366)P20.CA and (T0366)T21.CA only 0 apart, marking (T0366)P20.CA as missing # WARNING: incomplete conformation T0366 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 = 0.935 # GDT_score = -83.424 # GDT_score(maxd=8.000,maxw=2.900)= -86.842 # GDT_score(maxd=8.000,maxw=3.200)= -84.450 # GDT_score(maxd=8.000,maxw=3.500)= -81.508 # GDT_score(maxd=10.000,maxw=3.800)= -82.742 # GDT_score(maxd=10.000,maxw=4.000)= -80.520 # GDT_score(maxd=10.000,maxw=4.200)= -78.188 # GDT_score(maxd=12.000,maxw=4.300)= -80.901 # GDT_score(maxd=12.000,maxw=4.500)= -78.669 # GDT_score(maxd=12.000,maxw=4.700)= -76.418 # GDT_score(maxd=14.000,maxw=5.200)= -74.239 # GDT_score(maxd=14.000,maxw=5.500)= -71.187 # command:# ReadConformPDB reading from PDB file T0366.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0366)G19.C and (T0366)P20.C only 0 apart, marking (T0366)P20.C as missing WARNING: atoms too close: (T0366)P20.N and (T0366)T21.N only 0 apart, marking (T0366)P20.N as missing WARNING: atoms too close: (T0366)P20.CA and (T0366)T21.CA only 0 apart, marking (T0366)P20.CA as missing # WARNING: incomplete conformation T0366 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 = 0.913 # GDT_score = -78.533 # GDT_score(maxd=8.000,maxw=2.900)= -82.352 # GDT_score(maxd=8.000,maxw=3.200)= -79.740 # GDT_score(maxd=8.000,maxw=3.500)= -76.984 # GDT_score(maxd=10.000,maxw=3.800)= -78.384 # GDT_score(maxd=10.000,maxw=4.000)= -76.542 # GDT_score(maxd=10.000,maxw=4.200)= -74.522 # GDT_score(maxd=12.000,maxw=4.300)= -77.109 # GDT_score(maxd=12.000,maxw=4.500)= -75.139 # GDT_score(maxd=12.000,maxw=4.700)= -73.103 # GDT_score(maxd=14.000,maxw=5.200)= -71.255 # GDT_score(maxd=14.000,maxw=5.500)= -68.445 # command:# ReadConformPDB reading from PDB file T0366.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0366)G19.C and (T0366)P20.C only 0 apart, marking (T0366)P20.C as missing WARNING: atoms too close: (T0366)P20.N and (T0366)T21.N only 0 apart, marking (T0366)P20.N as missing WARNING: atoms too close: (T0366)P20.CA and (T0366)T21.CA only 0 apart, marking (T0366)P20.CA as missing WARNING: atoms too close: (T0366)V32.C and (T0366)L36.C only 0 apart, marking (T0366)L36.C as missing WARNING: atoms too close: (T0366)G33.N and (T0366)G37.N only 0 apart, marking (T0366)G33.N as missing WARNING: atoms too close: (T0366)G33.CA and (T0366)G37.CA only 0 apart, marking (T0366)G33.CA as missing # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0366.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0366)G19.C and (T0366)P20.C only 0 apart, marking (T0366)P20.C as missing WARNING: atoms too close: (T0366)P20.N and (T0366)T21.N only 0 apart, marking (T0366)P20.N as missing WARNING: atoms too close: (T0366)P20.CA and (T0366)T21.CA only 0 apart, marking (T0366)P20.CA as missing WARNING: atoms too close: (T0366)V32.C and (T0366)L36.C only 0 apart, marking (T0366)L36.C as missing WARNING: atoms too close: (T0366)G33.N and (T0366)G37.N only 0 apart, marking (T0366)G33.N as missing WARNING: atoms too close: (T0366)G33.CA and (T0366)G37.CA only 0 apart, marking (T0366)G33.CA as missing WARNING: atoms too close: (T0366)Q56.C and (T0366)K57.C only 0 apart, marking (T0366)K57.C as missing WARNING: atoms too close: (T0366)K57.N and (T0366)L58.N only 0 apart, marking (T0366)K57.N as missing WARNING: atoms too close: (T0366)K57.CA and (T0366)L58.CA only 0 apart, marking (T0366)K57.CA as missing # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0366.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0366 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 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../refine.model1.ts-submitted looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model2.ts-submitted looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model3.ts-submitted looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model4.ts-submitted looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model5.ts-submitted looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try1-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0366.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0366.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try1-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 T0366.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 9 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 9 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try2-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0366.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0366.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 9 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 9 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try3-opt2-edit3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try3-opt2-edit4.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try3-opt2-edit5.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try3-opt2-edit6.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try3-opt2-edit7.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0366.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0366.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try4-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0366.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0366.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0366.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr366.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr366.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr366.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr366.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.bad-try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation dimer//bad-try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.bad-try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation dimer//bad-try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try1-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try1-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try1-opt2.unpack.gromacs0.repack-nonPC.unpack.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try2-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try2-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try2-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try2-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try3-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 11 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try3-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 11 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try3-opt2.unpack.gromacs0.repack-nonPC.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 11 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 9 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 9 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try6-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try7-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0366.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-tr366-1g9oA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-tr366-1g9oA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-tr366-1tp5A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-tr366-1tp5A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try3-1g9oA-take2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try3-1g9oA-take2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try3-1g9oA-take3.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try3-1g9oA-take3 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try3-1g9oA-take4.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try3-1g9oA-take4 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try3-1g9oA-take5.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try3-1g9oA-take5 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try3-1g9oA-take6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try3-1g9oA-take6 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try3-1g9oA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try3-1g9oA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try3-1tp5A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try3-1tp5A # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_280568782.pdb -s /var/tmp/to_scwrl_280568782.seq -o /var/tmp/from_scwrl_280568782.pdb > /var/tmp/scwrl_280568782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_280568782.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 T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_605808795.pdb -s /var/tmp/to_scwrl_605808795.seq -o /var/tmp/from_scwrl_605808795.pdb > /var/tmp/scwrl_605808795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_605808795.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 T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_891944837.pdb -s /var/tmp/to_scwrl_891944837.seq -o /var/tmp/from_scwrl_891944837.pdb > /var/tmp/scwrl_891944837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_891944837.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 T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1222678303.pdb -s /var/tmp/to_scwrl_1222678303.seq -o /var/tmp/from_scwrl_1222678303.pdb > /var/tmp/scwrl_1222678303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1222678303.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 T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_171588123.pdb -s /var/tmp/to_scwrl_171588123.seq -o /var/tmp/from_scwrl_171588123.pdb > /var/tmp/scwrl_171588123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171588123.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 T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_303848203.pdb -s /var/tmp/to_scwrl_303848203.seq -o /var/tmp/from_scwrl_303848203.pdb > /var/tmp/scwrl_303848203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_303848203.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_831809637.pdb -s /var/tmp/to_scwrl_831809637.seq -o /var/tmp/from_scwrl_831809637.pdb > /var/tmp/scwrl_831809637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_831809637.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_927675749.pdb -s /var/tmp/to_scwrl_927675749.seq -o /var/tmp/from_scwrl_927675749.pdb > /var/tmp/scwrl_927675749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927675749.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_315040705.pdb -s /var/tmp/to_scwrl_315040705.seq -o /var/tmp/from_scwrl_315040705.pdb > /var/tmp/scwrl_315040705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_315040705.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1630930200.pdb -s /var/tmp/to_scwrl_1630930200.seq -o /var/tmp/from_scwrl_1630930200.pdb > /var/tmp/scwrl_1630930200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1630930200.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1844313958.pdb -s /var/tmp/to_scwrl_1844313958.seq -o /var/tmp/from_scwrl_1844313958.pdb > /var/tmp/scwrl_1844313958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1844313958.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_754171792.pdb -s /var/tmp/to_scwrl_754171792.seq -o /var/tmp/from_scwrl_754171792.pdb > /var/tmp/scwrl_754171792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754171792.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_737147879.pdb -s /var/tmp/to_scwrl_737147879.seq -o /var/tmp/from_scwrl_737147879.pdb > /var/tmp/scwrl_737147879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737147879.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1497539998.pdb -s /var/tmp/to_scwrl_1497539998.seq -o /var/tmp/from_scwrl_1497539998.pdb > /var/tmp/scwrl_1497539998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1497539998.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1042921984.pdb -s /var/tmp/to_scwrl_1042921984.seq -o /var/tmp/from_scwrl_1042921984.pdb > /var/tmp/scwrl_1042921984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1042921984.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_996309860.pdb -s /var/tmp/to_scwrl_996309860.seq -o /var/tmp/from_scwrl_996309860.pdb > /var/tmp/scwrl_996309860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_996309860.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 71 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_710707221.pdb -s /var/tmp/to_scwrl_710707221.seq -o /var/tmp/from_scwrl_710707221.pdb > /var/tmp/scwrl_710707221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710707221.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 # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_754318009.pdb -s /var/tmp/to_scwrl_754318009.seq -o /var/tmp/from_scwrl_754318009.pdb > /var/tmp/scwrl_754318009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754318009.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_847931603.pdb -s /var/tmp/to_scwrl_847931603.seq -o /var/tmp/from_scwrl_847931603.pdb > /var/tmp/scwrl_847931603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847931603.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1889824254.pdb -s /var/tmp/to_scwrl_1889824254.seq -o /var/tmp/from_scwrl_1889824254.pdb > /var/tmp/scwrl_1889824254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1889824254.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 104 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1072473023.pdb -s /var/tmp/to_scwrl_1072473023.seq -o /var/tmp/from_scwrl_1072473023.pdb > /var/tmp/scwrl_1072473023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072473023.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 79 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_731140799.pdb -s /var/tmp/to_scwrl_731140799.seq -o /var/tmp/from_scwrl_731140799.pdb > /var/tmp/scwrl_731140799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_731140799.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 100 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_719330223.pdb -s /var/tmp/to_scwrl_719330223.seq -o /var/tmp/from_scwrl_719330223.pdb > /var/tmp/scwrl_719330223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_719330223.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 94 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_465852347.pdb -s /var/tmp/to_scwrl_465852347.seq -o /var/tmp/from_scwrl_465852347.pdb > /var/tmp/scwrl_465852347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465852347.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1687302384.pdb -s /var/tmp/to_scwrl_1687302384.seq -o /var/tmp/from_scwrl_1687302384.pdb > /var/tmp/scwrl_1687302384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687302384.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_249403391.pdb -s /var/tmp/to_scwrl_249403391.seq -o /var/tmp/from_scwrl_249403391.pdb > /var/tmp/scwrl_249403391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249403391.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_172317618.pdb -s /var/tmp/to_scwrl_172317618.seq -o /var/tmp/from_scwrl_172317618.pdb > /var/tmp/scwrl_172317618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_172317618.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1558374469.pdb -s /var/tmp/to_scwrl_1558374469.seq -o /var/tmp/from_scwrl_1558374469.pdb > /var/tmp/scwrl_1558374469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1558374469.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 20 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_225966101.pdb -s /var/tmp/to_scwrl_225966101.seq -o /var/tmp/from_scwrl_225966101.pdb > /var/tmp/scwrl_225966101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_225966101.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_120715137.pdb -s /var/tmp/to_scwrl_120715137.seq -o /var/tmp/from_scwrl_120715137.pdb > /var/tmp/scwrl_120715137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_120715137.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1817353240.pdb -s /var/tmp/to_scwrl_1817353240.seq -o /var/tmp/from_scwrl_1817353240.pdb > /var/tmp/scwrl_1817353240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1817353240.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_506534883.pdb -s /var/tmp/to_scwrl_506534883.seq -o /var/tmp/from_scwrl_506534883.pdb > /var/tmp/scwrl_506534883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_506534883.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_726523932.pdb -s /var/tmp/to_scwrl_726523932.seq -o /var/tmp/from_scwrl_726523932.pdb > /var/tmp/scwrl_726523932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_726523932.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_561814431.pdb -s /var/tmp/to_scwrl_561814431.seq -o /var/tmp/from_scwrl_561814431.pdb > /var/tmp/scwrl_561814431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_561814431.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 T0366 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1729213186.pdb -s /var/tmp/to_scwrl_1729213186.seq -o /var/tmp/from_scwrl_1729213186.pdb > /var/tmp/scwrl_1729213186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729213186.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 99 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_898112055.pdb -s /var/tmp/to_scwrl_898112055.seq -o /var/tmp/from_scwrl_898112055.pdb > /var/tmp/scwrl_898112055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898112055.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_865662634.pdb -s /var/tmp/to_scwrl_865662634.seq -o /var/tmp/from_scwrl_865662634.pdb > /var/tmp/scwrl_865662634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865662634.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_413539176.pdb -s /var/tmp/to_scwrl_413539176.seq -o /var/tmp/from_scwrl_413539176.pdb > /var/tmp/scwrl_413539176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_413539176.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1825787803.pdb -s /var/tmp/to_scwrl_1825787803.seq -o /var/tmp/from_scwrl_1825787803.pdb > /var/tmp/scwrl_1825787803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1825787803.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 T0366 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1180703339.pdb -s /var/tmp/to_scwrl_1180703339.seq -o /var/tmp/from_scwrl_1180703339.pdb > /var/tmp/scwrl_1180703339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180703339.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2044469376.pdb -s /var/tmp/to_scwrl_2044469376.seq -o /var/tmp/from_scwrl_2044469376.pdb > /var/tmp/scwrl_2044469376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2044469376.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 T0366 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1522618114.pdb -s /var/tmp/to_scwrl_1522618114.seq -o /var/tmp/from_scwrl_1522618114.pdb > /var/tmp/scwrl_1522618114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1522618114.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 T0366 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1934875131.pdb -s /var/tmp/to_scwrl_1934875131.seq -o /var/tmp/from_scwrl_1934875131.pdb > /var/tmp/scwrl_1934875131.log Error: Couldn't open file /var/tmp/from_scwrl_1934875131.pdb or /var/tmp/from_scwrl_1934875131.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1934875131_b.pdb or decoys//var/tmp/from_scwrl_1934875131_b.pdb.gz for input Trying /var/tmp/from_scwrl_1934875131_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1934875131_b.pdb or /var/tmp/from_scwrl_1934875131_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1934875131_a.pdb or decoys//var/tmp/from_scwrl_1934875131_a.pdb.gz for input Trying /var/tmp/from_scwrl_1934875131_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1934875131_a.pdb or /var/tmp/from_scwrl_1934875131_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1934875131.pdb or /var/tmp/from_scwrl_1934875131_b.pdb or /var/tmp/from_scwrl_1934875131_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 T0366 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_634133608.pdb -s /var/tmp/to_scwrl_634133608.seq -o /var/tmp/from_scwrl_634133608.pdb > /var/tmp/scwrl_634133608.log Error: Couldn't open file /var/tmp/from_scwrl_634133608.pdb or /var/tmp/from_scwrl_634133608.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_634133608_b.pdb or decoys//var/tmp/from_scwrl_634133608_b.pdb.gz for input Trying /var/tmp/from_scwrl_634133608_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_634133608_b.pdb or /var/tmp/from_scwrl_634133608_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_634133608_a.pdb or decoys//var/tmp/from_scwrl_634133608_a.pdb.gz for input Trying /var/tmp/from_scwrl_634133608_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_634133608_a.pdb or /var/tmp/from_scwrl_634133608_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_634133608.pdb or /var/tmp/from_scwrl_634133608_b.pdb or /var/tmp/from_scwrl_634133608_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 T0366 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_872674466.pdb -s /var/tmp/to_scwrl_872674466.seq -o /var/tmp/from_scwrl_872674466.pdb > /var/tmp/scwrl_872674466.log Error: Couldn't open file /var/tmp/from_scwrl_872674466.pdb or /var/tmp/from_scwrl_872674466.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_872674466_b.pdb or decoys//var/tmp/from_scwrl_872674466_b.pdb.gz for input Trying /var/tmp/from_scwrl_872674466_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_872674466_b.pdb or /var/tmp/from_scwrl_872674466_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_872674466_a.pdb or decoys//var/tmp/from_scwrl_872674466_a.pdb.gz for input Trying /var/tmp/from_scwrl_872674466_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_872674466_a.pdb or /var/tmp/from_scwrl_872674466_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_872674466.pdb or /var/tmp/from_scwrl_872674466_b.pdb or /var/tmp/from_scwrl_872674466_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 T0366 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_830313468.pdb -s /var/tmp/to_scwrl_830313468.seq -o /var/tmp/from_scwrl_830313468.pdb > /var/tmp/scwrl_830313468.log Error: Couldn't open file /var/tmp/from_scwrl_830313468.pdb or /var/tmp/from_scwrl_830313468.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_830313468_b.pdb or decoys//var/tmp/from_scwrl_830313468_b.pdb.gz for input Trying /var/tmp/from_scwrl_830313468_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_830313468_b.pdb or /var/tmp/from_scwrl_830313468_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_830313468_a.pdb or decoys//var/tmp/from_scwrl_830313468_a.pdb.gz for input Trying /var/tmp/from_scwrl_830313468_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_830313468_a.pdb or /var/tmp/from_scwrl_830313468_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_830313468.pdb or /var/tmp/from_scwrl_830313468_b.pdb or /var/tmp/from_scwrl_830313468_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 T0366 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1630443467.pdb -s /var/tmp/to_scwrl_1630443467.seq -o /var/tmp/from_scwrl_1630443467.pdb > /var/tmp/scwrl_1630443467.log Error: Couldn't open file /var/tmp/from_scwrl_1630443467.pdb or /var/tmp/from_scwrl_1630443467.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1630443467_b.pdb or decoys//var/tmp/from_scwrl_1630443467_b.pdb.gz for input Trying /var/tmp/from_scwrl_1630443467_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1630443467_b.pdb or /var/tmp/from_scwrl_1630443467_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1630443467_a.pdb or decoys//var/tmp/from_scwrl_1630443467_a.pdb.gz for input Trying /var/tmp/from_scwrl_1630443467_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1630443467_a.pdb or /var/tmp/from_scwrl_1630443467_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1630443467.pdb or /var/tmp/from_scwrl_1630443467_b.pdb or /var/tmp/from_scwrl_1630443467_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 98 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1583381686.pdb -s /var/tmp/to_scwrl_1583381686.seq -o /var/tmp/from_scwrl_1583381686.pdb > /var/tmp/scwrl_1583381686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1583381686.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 T0366 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1584631476.pdb -s /var/tmp/to_scwrl_1584631476.seq -o /var/tmp/from_scwrl_1584631476.pdb > /var/tmp/scwrl_1584631476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1584631476.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_330891423.pdb -s /var/tmp/to_scwrl_330891423.seq -o /var/tmp/from_scwrl_330891423.pdb > /var/tmp/scwrl_330891423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_330891423.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1325722293.pdb -s /var/tmp/to_scwrl_1325722293.seq -o /var/tmp/from_scwrl_1325722293.pdb > /var/tmp/scwrl_1325722293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325722293.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 T0366 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_509620852.pdb -s /var/tmp/to_scwrl_509620852.seq -o /var/tmp/from_scwrl_509620852.pdb > /var/tmp/scwrl_509620852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509620852.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 98 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1062032222.pdb -s /var/tmp/to_scwrl_1062032222.seq -o /var/tmp/from_scwrl_1062032222.pdb > /var/tmp/scwrl_1062032222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1062032222.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2045052516.pdb -s /var/tmp/to_scwrl_2045052516.seq -o /var/tmp/from_scwrl_2045052516.pdb > /var/tmp/scwrl_2045052516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2045052516.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_975473199.pdb -s /var/tmp/to_scwrl_975473199.seq -o /var/tmp/from_scwrl_975473199.pdb > /var/tmp/scwrl_975473199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975473199.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_601850960.pdb -s /var/tmp/to_scwrl_601850960.seq -o /var/tmp/from_scwrl_601850960.pdb > /var/tmp/scwrl_601850960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_601850960.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 102 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_146972260.pdb -s /var/tmp/to_scwrl_146972260.seq -o /var/tmp/from_scwrl_146972260.pdb > /var/tmp/scwrl_146972260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_146972260.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1147790816.pdb -s /var/tmp/to_scwrl_1147790816.seq -o /var/tmp/from_scwrl_1147790816.pdb > /var/tmp/scwrl_1147790816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1147790816.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_12741782.pdb -s /var/tmp/to_scwrl_12741782.seq -o /var/tmp/from_scwrl_12741782.pdb > /var/tmp/scwrl_12741782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_12741782.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_372938361.pdb -s /var/tmp/to_scwrl_372938361.seq -o /var/tmp/from_scwrl_372938361.pdb > /var/tmp/scwrl_372938361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_372938361.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1268505954.pdb -s /var/tmp/to_scwrl_1268505954.seq -o /var/tmp/from_scwrl_1268505954.pdb > /var/tmp/scwrl_1268505954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1268505954.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1830095022.pdb -s /var/tmp/to_scwrl_1830095022.seq -o /var/tmp/from_scwrl_1830095022.pdb > /var/tmp/scwrl_1830095022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830095022.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_879473244.pdb -s /var/tmp/to_scwrl_879473244.seq -o /var/tmp/from_scwrl_879473244.pdb > /var/tmp/scwrl_879473244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_879473244.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1995029886.pdb -s /var/tmp/to_scwrl_1995029886.seq -o /var/tmp/from_scwrl_1995029886.pdb > /var/tmp/scwrl_1995029886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1995029886.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_244425806.pdb -s /var/tmp/to_scwrl_244425806.seq -o /var/tmp/from_scwrl_244425806.pdb > /var/tmp/scwrl_244425806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_244425806.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_461202783.pdb -s /var/tmp/to_scwrl_461202783.seq -o /var/tmp/from_scwrl_461202783.pdb > /var/tmp/scwrl_461202783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461202783.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_745658295.pdb -s /var/tmp/to_scwrl_745658295.seq -o /var/tmp/from_scwrl_745658295.pdb > /var/tmp/scwrl_745658295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745658295.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1110088440.pdb -s /var/tmp/to_scwrl_1110088440.seq -o /var/tmp/from_scwrl_1110088440.pdb > /var/tmp/scwrl_1110088440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1110088440.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_874741960.pdb -s /var/tmp/to_scwrl_874741960.seq -o /var/tmp/from_scwrl_874741960.pdb > /var/tmp/scwrl_874741960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_874741960.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_423962451.pdb -s /var/tmp/to_scwrl_423962451.seq -o /var/tmp/from_scwrl_423962451.pdb > /var/tmp/scwrl_423962451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423962451.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_143308133.pdb -s /var/tmp/to_scwrl_143308133.seq -o /var/tmp/from_scwrl_143308133.pdb > /var/tmp/scwrl_143308133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_143308133.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_771727689.pdb -s /var/tmp/to_scwrl_771727689.seq -o /var/tmp/from_scwrl_771727689.pdb > /var/tmp/scwrl_771727689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771727689.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 62 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1946580566.pdb -s /var/tmp/to_scwrl_1946580566.seq -o /var/tmp/from_scwrl_1946580566.pdb > /var/tmp/scwrl_1946580566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1946580566.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2078183264.pdb -s /var/tmp/to_scwrl_2078183264.seq -o /var/tmp/from_scwrl_2078183264.pdb > /var/tmp/scwrl_2078183264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2078183264.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1405861297.pdb -s /var/tmp/to_scwrl_1405861297.seq -o /var/tmp/from_scwrl_1405861297.pdb > /var/tmp/scwrl_1405861297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1405861297.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_671771385.pdb -s /var/tmp/to_scwrl_671771385.seq -o /var/tmp/from_scwrl_671771385.pdb > /var/tmp/scwrl_671771385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671771385.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 33 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_761013085.pdb -s /var/tmp/to_scwrl_761013085.seq -o /var/tmp/from_scwrl_761013085.pdb > /var/tmp/scwrl_761013085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761013085.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_888821118.pdb -s /var/tmp/to_scwrl_888821118.seq -o /var/tmp/from_scwrl_888821118.pdb > /var/tmp/scwrl_888821118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888821118.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_107669425.pdb -s /var/tmp/to_scwrl_107669425.seq -o /var/tmp/from_scwrl_107669425.pdb > /var/tmp/scwrl_107669425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_107669425.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 T0366 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_198160914.pdb -s /var/tmp/to_scwrl_198160914.seq -o /var/tmp/from_scwrl_198160914.pdb > /var/tmp/scwrl_198160914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_198160914.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1219712541.pdb -s /var/tmp/to_scwrl_1219712541.seq -o /var/tmp/from_scwrl_1219712541.pdb > /var/tmp/scwrl_1219712541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219712541.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 T0366 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1433391718.pdb -s /var/tmp/to_scwrl_1433391718.seq -o /var/tmp/from_scwrl_1433391718.pdb > /var/tmp/scwrl_1433391718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1433391718.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 T0366 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_707781766.pdb -s /var/tmp/to_scwrl_707781766.seq -o /var/tmp/from_scwrl_707781766.pdb > /var/tmp/scwrl_707781766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707781766.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 T0366 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_134261116.pdb -s /var/tmp/to_scwrl_134261116.seq -o /var/tmp/from_scwrl_134261116.pdb > /var/tmp/scwrl_134261116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134261116.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 Skipped atom 211, because occupancy 1 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1330960588.pdb -s /var/tmp/to_scwrl_1330960588.seq -o /var/tmp/from_scwrl_1330960588.pdb > /var/tmp/scwrl_1330960588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1330960588.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1683254964.pdb -s /var/tmp/to_scwrl_1683254964.seq -o /var/tmp/from_scwrl_1683254964.pdb > /var/tmp/scwrl_1683254964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683254964.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 T0366 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_736112076.pdb -s /var/tmp/to_scwrl_736112076.seq -o /var/tmp/from_scwrl_736112076.pdb > /var/tmp/scwrl_736112076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736112076.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 102 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1477932848.pdb -s /var/tmp/to_scwrl_1477932848.seq -o /var/tmp/from_scwrl_1477932848.pdb > /var/tmp/scwrl_1477932848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1477932848.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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_683562135.pdb -s /var/tmp/to_scwrl_683562135.seq -o /var/tmp/from_scwrl_683562135.pdb > /var/tmp/scwrl_683562135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_683562135.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 105 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_748853858.pdb -s /var/tmp/to_scwrl_748853858.seq -o /var/tmp/from_scwrl_748853858.pdb > /var/tmp/scwrl_748853858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_748853858.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 105 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1850871210.pdb -s /var/tmp/to_scwrl_1850871210.seq -o /var/tmp/from_scwrl_1850871210.pdb > /var/tmp/scwrl_1850871210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1850871210.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 96 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1952068089.pdb -s /var/tmp/to_scwrl_1952068089.seq -o /var/tmp/from_scwrl_1952068089.pdb > /var/tmp/scwrl_1952068089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1952068089.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_431465234.pdb -s /var/tmp/to_scwrl_431465234.seq -o /var/tmp/from_scwrl_431465234.pdb > /var/tmp/scwrl_431465234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431465234.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_582860807.pdb -s /var/tmp/to_scwrl_582860807.seq -o /var/tmp/from_scwrl_582860807.pdb > /var/tmp/scwrl_582860807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_582860807.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 12 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1799614328.pdb -s /var/tmp/to_scwrl_1799614328.seq -o /var/tmp/from_scwrl_1799614328.pdb > /var/tmp/scwrl_1799614328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1799614328.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_675891040.pdb -s /var/tmp/to_scwrl_675891040.seq -o /var/tmp/from_scwrl_675891040.pdb > /var/tmp/scwrl_675891040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_675891040.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1044063591.pdb -s /var/tmp/to_scwrl_1044063591.seq -o /var/tmp/from_scwrl_1044063591.pdb > /var/tmp/scwrl_1044063591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1044063591.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_397788976.pdb -s /var/tmp/to_scwrl_397788976.seq -o /var/tmp/from_scwrl_397788976.pdb > /var/tmp/scwrl_397788976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_397788976.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1785979480.pdb -s /var/tmp/to_scwrl_1785979480.seq -o /var/tmp/from_scwrl_1785979480.pdb > /var/tmp/scwrl_1785979480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1785979480.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1918805550.pdb -s /var/tmp/to_scwrl_1918805550.seq -o /var/tmp/from_scwrl_1918805550.pdb > /var/tmp/scwrl_1918805550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1918805550.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 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_821751428.pdb -s /var/tmp/to_scwrl_821751428.seq -o /var/tmp/from_scwrl_821751428.pdb > /var/tmp/scwrl_821751428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_821751428.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1929287613.pdb -s /var/tmp/to_scwrl_1929287613.seq -o /var/tmp/from_scwrl_1929287613.pdb > /var/tmp/scwrl_1929287613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1929287613.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 72 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_543049592.pdb -s /var/tmp/to_scwrl_543049592.seq -o /var/tmp/from_scwrl_543049592.pdb > /var/tmp/scwrl_543049592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_543049592.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_620848347.pdb -s /var/tmp/to_scwrl_620848347.seq -o /var/tmp/from_scwrl_620848347.pdb > /var/tmp/scwrl_620848347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_620848347.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 T0366 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1859987230.pdb -s /var/tmp/to_scwrl_1859987230.seq -o /var/tmp/from_scwrl_1859987230.pdb > /var/tmp/scwrl_1859987230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1859987230.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1948910889.pdb -s /var/tmp/to_scwrl_1948910889.seq -o /var/tmp/from_scwrl_1948910889.pdb > /var/tmp/scwrl_1948910889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1948910889.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 T0366 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1292619731.pdb -s /var/tmp/to_scwrl_1292619731.seq -o /var/tmp/from_scwrl_1292619731.pdb > /var/tmp/scwrl_1292619731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292619731.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 T0366 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_473516668.pdb -s /var/tmp/to_scwrl_473516668.seq -o /var/tmp/from_scwrl_473516668.pdb > /var/tmp/scwrl_473516668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_473516668.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 T0366 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_690248361.pdb -s /var/tmp/to_scwrl_690248361.seq -o /var/tmp/from_scwrl_690248361.pdb > /var/tmp/scwrl_690248361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_690248361.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 T0366 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1400289156.pdb -s /var/tmp/to_scwrl_1400289156.seq -o /var/tmp/from_scwrl_1400289156.pdb > /var/tmp/scwrl_1400289156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400289156.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 T0366 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_671677582.pdb -s /var/tmp/to_scwrl_671677582.seq -o /var/tmp/from_scwrl_671677582.pdb > /var/tmp/scwrl_671677582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671677582.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 T0366 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1909960902.pdb -s /var/tmp/to_scwrl_1909960902.seq -o /var/tmp/from_scwrl_1909960902.pdb > /var/tmp/scwrl_1909960902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1909960902.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 T0366 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_686197229.pdb -s /var/tmp/to_scwrl_686197229.seq -o /var/tmp/from_scwrl_686197229.pdb > /var/tmp/scwrl_686197229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_686197229.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 T0366 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1379459347.pdb -s /var/tmp/to_scwrl_1379459347.seq -o /var/tmp/from_scwrl_1379459347.pdb > /var/tmp/scwrl_1379459347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379459347.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 T0366 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2044222018.pdb -s /var/tmp/to_scwrl_2044222018.seq -o /var/tmp/from_scwrl_2044222018.pdb > /var/tmp/scwrl_2044222018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2044222018.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 9 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2017157817.pdb -s /var/tmp/to_scwrl_2017157817.seq -o /var/tmp/from_scwrl_2017157817.pdb > /var/tmp/scwrl_2017157817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017157817.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_915230666.pdb -s /var/tmp/to_scwrl_915230666.seq -o /var/tmp/from_scwrl_915230666.pdb > /var/tmp/scwrl_915230666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915230666.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_632850448.pdb -s /var/tmp/to_scwrl_632850448.seq -o /var/tmp/from_scwrl_632850448.pdb > /var/tmp/scwrl_632850448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_632850448.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1347607018.pdb -s /var/tmp/to_scwrl_1347607018.seq -o /var/tmp/from_scwrl_1347607018.pdb > /var/tmp/scwrl_1347607018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347607018.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1598792800.pdb -s /var/tmp/to_scwrl_1598792800.seq -o /var/tmp/from_scwrl_1598792800.pdb > /var/tmp/scwrl_1598792800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598792800.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 9 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1381704305.pdb -s /var/tmp/to_scwrl_1381704305.seq -o /var/tmp/from_scwrl_1381704305.pdb > /var/tmp/scwrl_1381704305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1381704305.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1050994582.pdb -s /var/tmp/to_scwrl_1050994582.seq -o /var/tmp/from_scwrl_1050994582.pdb > /var/tmp/scwrl_1050994582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050994582.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1403377242.pdb -s /var/tmp/to_scwrl_1403377242.seq -o /var/tmp/from_scwrl_1403377242.pdb > /var/tmp/scwrl_1403377242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403377242.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1813169539.pdb -s /var/tmp/to_scwrl_1813169539.seq -o /var/tmp/from_scwrl_1813169539.pdb > /var/tmp/scwrl_1813169539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1813169539.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1633855389.pdb -s /var/tmp/to_scwrl_1633855389.seq -o /var/tmp/from_scwrl_1633855389.pdb > /var/tmp/scwrl_1633855389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633855389.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 105 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1055507924.pdb -s /var/tmp/to_scwrl_1055507924.seq -o /var/tmp/from_scwrl_1055507924.pdb > /var/tmp/scwrl_1055507924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1055507924.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 105 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_341576933.pdb -s /var/tmp/to_scwrl_341576933.seq -o /var/tmp/from_scwrl_341576933.pdb > /var/tmp/scwrl_341576933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_341576933.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 105 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_530435333.pdb -s /var/tmp/to_scwrl_530435333.seq -o /var/tmp/from_scwrl_530435333.pdb > /var/tmp/scwrl_530435333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530435333.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 102 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1453296900.pdb -s /var/tmp/to_scwrl_1453296900.seq -o /var/tmp/from_scwrl_1453296900.pdb > /var/tmp/scwrl_1453296900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1453296900.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 105 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2127556413.pdb -s /var/tmp/to_scwrl_2127556413.seq -o /var/tmp/from_scwrl_2127556413.pdb > /var/tmp/scwrl_2127556413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2127556413.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_301757236.pdb -s /var/tmp/to_scwrl_301757236.seq -o /var/tmp/from_scwrl_301757236.pdb > /var/tmp/scwrl_301757236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_301757236.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_127564681.pdb -s /var/tmp/to_scwrl_127564681.seq -o /var/tmp/from_scwrl_127564681.pdb > /var/tmp/scwrl_127564681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127564681.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1909360380.pdb -s /var/tmp/to_scwrl_1909360380.seq -o /var/tmp/from_scwrl_1909360380.pdb > /var/tmp/scwrl_1909360380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1909360380.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 96 ; scwrl3 -i /var/tmp/to_scwrl_844806828.pdb -s /var/tmp/to_scwrl_844806828.seq -o /var/tmp/from_scwrl_844806828.pdb > /var/tmp/scwrl_844806828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844806828.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_748413028.pdb -s /var/tmp/to_scwrl_748413028.seq -o /var/tmp/from_scwrl_748413028.pdb > /var/tmp/scwrl_748413028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_748413028.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1621863963.pdb -s /var/tmp/to_scwrl_1621863963.seq -o /var/tmp/from_scwrl_1621863963.pdb > /var/tmp/scwrl_1621863963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621863963.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_646234071.pdb -s /var/tmp/to_scwrl_646234071.seq -o /var/tmp/from_scwrl_646234071.pdb > /var/tmp/scwrl_646234071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_646234071.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 96 ; scwrl3 -i /var/tmp/to_scwrl_2041032759.pdb -s /var/tmp/to_scwrl_2041032759.seq -o /var/tmp/from_scwrl_2041032759.pdb > /var/tmp/scwrl_2041032759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2041032759.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2095380632.pdb -s /var/tmp/to_scwrl_2095380632.seq -o /var/tmp/from_scwrl_2095380632.pdb > /var/tmp/scwrl_2095380632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095380632.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1336482431.pdb -s /var/tmp/to_scwrl_1336482431.seq -o /var/tmp/from_scwrl_1336482431.pdb > /var/tmp/scwrl_1336482431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1336482431.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1293838269.pdb -s /var/tmp/to_scwrl_1293838269.seq -o /var/tmp/from_scwrl_1293838269.pdb > /var/tmp/scwrl_1293838269.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1293838269.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_619574567.pdb -s /var/tmp/to_scwrl_619574567.seq -o /var/tmp/from_scwrl_619574567.pdb > /var/tmp/scwrl_619574567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_619574567.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1098959686.pdb -s /var/tmp/to_scwrl_1098959686.seq -o /var/tmp/from_scwrl_1098959686.pdb > /var/tmp/scwrl_1098959686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1098959686.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 T0366 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1980035498.pdb -s /var/tmp/to_scwrl_1980035498.seq -o /var/tmp/from_scwrl_1980035498.pdb > /var/tmp/scwrl_1980035498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1980035498.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1999033915.pdb -s /var/tmp/to_scwrl_1999033915.seq -o /var/tmp/from_scwrl_1999033915.pdb > /var/tmp/scwrl_1999033915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1999033915.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_995698058.pdb -s /var/tmp/to_scwrl_995698058.seq -o /var/tmp/from_scwrl_995698058.pdb > /var/tmp/scwrl_995698058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995698058.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 T0366 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1849709668.pdb -s /var/tmp/to_scwrl_1849709668.seq -o /var/tmp/from_scwrl_1849709668.pdb > /var/tmp/scwrl_1849709668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849709668.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 T0366 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 96 ; scwrl3 -i /var/tmp/to_scwrl_766780934.pdb -s /var/tmp/to_scwrl_766780934.seq -o /var/tmp/from_scwrl_766780934.pdb > /var/tmp/scwrl_766780934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_766780934.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 T0366 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 96 ; scwrl3 -i /var/tmp/to_scwrl_1628548505.pdb -s /var/tmp/to_scwrl_1628548505.seq -o /var/tmp/from_scwrl_1628548505.pdb > /var/tmp/scwrl_1628548505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628548505.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1049833040.pdb -s /var/tmp/to_scwrl_1049833040.seq -o /var/tmp/from_scwrl_1049833040.pdb > /var/tmp/scwrl_1049833040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049833040.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 T0366 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 96 ; scwrl3 -i /var/tmp/to_scwrl_218090087.pdb -s /var/tmp/to_scwrl_218090087.seq -o /var/tmp/from_scwrl_218090087.pdb > /var/tmp/scwrl_218090087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_218090087.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_862769165.pdb -s /var/tmp/to_scwrl_862769165.seq -o /var/tmp/from_scwrl_862769165.pdb > /var/tmp/scwrl_862769165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862769165.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2100827622.pdb -s /var/tmp/to_scwrl_2100827622.seq -o /var/tmp/from_scwrl_2100827622.pdb > /var/tmp/scwrl_2100827622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100827622.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 T0366 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1621467329.pdb -s /var/tmp/to_scwrl_1621467329.seq -o /var/tmp/from_scwrl_1621467329.pdb > /var/tmp/scwrl_1621467329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621467329.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_528455057.pdb -s /var/tmp/to_scwrl_528455057.seq -o /var/tmp/from_scwrl_528455057.pdb > /var/tmp/scwrl_528455057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528455057.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1587199364.pdb -s /var/tmp/to_scwrl_1587199364.seq -o /var/tmp/from_scwrl_1587199364.pdb > /var/tmp/scwrl_1587199364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1587199364.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 T0366 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_529491606.pdb -s /var/tmp/to_scwrl_529491606.seq -o /var/tmp/from_scwrl_529491606.pdb > /var/tmp/scwrl_529491606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_529491606.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_870031990.pdb -s /var/tmp/to_scwrl_870031990.seq -o /var/tmp/from_scwrl_870031990.pdb > /var/tmp/scwrl_870031990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_870031990.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 96 ; scwrl3 -i /var/tmp/to_scwrl_2117634697.pdb -s /var/tmp/to_scwrl_2117634697.seq -o /var/tmp/from_scwrl_2117634697.pdb > /var/tmp/scwrl_2117634697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2117634697.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1982788506.pdb -s /var/tmp/to_scwrl_1982788506.seq -o /var/tmp/from_scwrl_1982788506.pdb > /var/tmp/scwrl_1982788506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1982788506.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 96 ; scwrl3 -i /var/tmp/to_scwrl_850104757.pdb -s /var/tmp/to_scwrl_850104757.seq -o /var/tmp/from_scwrl_850104757.pdb > /var/tmp/scwrl_850104757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_850104757.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 96 ; scwrl3 -i /var/tmp/to_scwrl_271908286.pdb -s /var/tmp/to_scwrl_271908286.seq -o /var/tmp/from_scwrl_271908286.pdb > /var/tmp/scwrl_271908286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271908286.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2110353187.pdb -s /var/tmp/to_scwrl_2110353187.seq -o /var/tmp/from_scwrl_2110353187.pdb > /var/tmp/scwrl_2110353187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110353187.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 103 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_611981490.pdb -s /var/tmp/to_scwrl_611981490.seq -o /var/tmp/from_scwrl_611981490.pdb > /var/tmp/scwrl_611981490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611981490.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1116715113.pdb -s /var/tmp/to_scwrl_1116715113.seq -o /var/tmp/from_scwrl_1116715113.pdb > /var/tmp/scwrl_1116715113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1116715113.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_711282568.pdb -s /var/tmp/to_scwrl_711282568.seq -o /var/tmp/from_scwrl_711282568.pdb > /var/tmp/scwrl_711282568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711282568.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 34 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_86361806.pdb -s /var/tmp/to_scwrl_86361806.seq -o /var/tmp/from_scwrl_86361806.pdb > /var/tmp/scwrl_86361806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86361806.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 # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1762949184.pdb -s /var/tmp/to_scwrl_1762949184.seq -o /var/tmp/from_scwrl_1762949184.pdb > /var/tmp/scwrl_1762949184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1762949184.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 96 ; scwrl3 -i /var/tmp/to_scwrl_604831681.pdb -s /var/tmp/to_scwrl_604831681.seq -o /var/tmp/from_scwrl_604831681.pdb > /var/tmp/scwrl_604831681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_604831681.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 96 ; scwrl3 -i /var/tmp/to_scwrl_34258791.pdb -s /var/tmp/to_scwrl_34258791.seq -o /var/tmp/from_scwrl_34258791.pdb > /var/tmp/scwrl_34258791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34258791.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_951947969.pdb -s /var/tmp/to_scwrl_951947969.seq -o /var/tmp/from_scwrl_951947969.pdb > /var/tmp/scwrl_951947969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951947969.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1898669950.pdb -s /var/tmp/to_scwrl_1898669950.seq -o /var/tmp/from_scwrl_1898669950.pdb > /var/tmp/scwrl_1898669950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1898669950.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 96 ; scwrl3 -i /var/tmp/to_scwrl_653833359.pdb -s /var/tmp/to_scwrl_653833359.seq -o /var/tmp/from_scwrl_653833359.pdb > /var/tmp/scwrl_653833359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653833359.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 96 ; scwrl3 -i /var/tmp/to_scwrl_2050907655.pdb -s /var/tmp/to_scwrl_2050907655.seq -o /var/tmp/from_scwrl_2050907655.pdb > /var/tmp/scwrl_2050907655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050907655.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1731221801.pdb -s /var/tmp/to_scwrl_1731221801.seq -o /var/tmp/from_scwrl_1731221801.pdb > /var/tmp/scwrl_1731221801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1731221801.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_505383627.pdb -s /var/tmp/to_scwrl_505383627.seq -o /var/tmp/from_scwrl_505383627.pdb > /var/tmp/scwrl_505383627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_505383627.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 96 ; scwrl3 -i /var/tmp/to_scwrl_899122067.pdb -s /var/tmp/to_scwrl_899122067.seq -o /var/tmp/from_scwrl_899122067.pdb > /var/tmp/scwrl_899122067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_899122067.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1433447822.pdb -s /var/tmp/to_scwrl_1433447822.seq -o /var/tmp/from_scwrl_1433447822.pdb > /var/tmp/scwrl_1433447822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1433447822.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1272164560.pdb -s /var/tmp/to_scwrl_1272164560.seq -o /var/tmp/from_scwrl_1272164560.pdb > /var/tmp/scwrl_1272164560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1272164560.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_380186925.pdb -s /var/tmp/to_scwrl_380186925.seq -o /var/tmp/from_scwrl_380186925.pdb > /var/tmp/scwrl_380186925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_380186925.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_335797215.pdb -s /var/tmp/to_scwrl_335797215.seq -o /var/tmp/from_scwrl_335797215.pdb > /var/tmp/scwrl_335797215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_335797215.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1490254647.pdb -s /var/tmp/to_scwrl_1490254647.seq -o /var/tmp/from_scwrl_1490254647.pdb > /var/tmp/scwrl_1490254647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490254647.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 T0366 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1242956089.pdb -s /var/tmp/to_scwrl_1242956089.seq -o /var/tmp/from_scwrl_1242956089.pdb > /var/tmp/scwrl_1242956089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1242956089.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 T0366 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_289141190.pdb -s /var/tmp/to_scwrl_289141190.seq -o /var/tmp/from_scwrl_289141190.pdb > /var/tmp/scwrl_289141190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289141190.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 T0366 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_964238330.pdb -s /var/tmp/to_scwrl_964238330.seq -o /var/tmp/from_scwrl_964238330.pdb > /var/tmp/scwrl_964238330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_964238330.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 Skipped atom 15, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 322, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 324, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 326, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 328, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1771411147.pdb -s /var/tmp/to_scwrl_1771411147.seq -o /var/tmp/from_scwrl_1771411147.pdb > /var/tmp/scwrl_1771411147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771411147.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 T0366 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1876340554.pdb -s /var/tmp/to_scwrl_1876340554.seq -o /var/tmp/from_scwrl_1876340554.pdb > /var/tmp/scwrl_1876340554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876340554.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 Skipped atom 31, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 344, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1493729935.pdb -s /var/tmp/to_scwrl_1493729935.seq -o /var/tmp/from_scwrl_1493729935.pdb > /var/tmp/scwrl_1493729935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493729935.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 T0366 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_493959490.pdb -s /var/tmp/to_scwrl_493959490.seq -o /var/tmp/from_scwrl_493959490.pdb > /var/tmp/scwrl_493959490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493959490.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1846491604.pdb -s /var/tmp/to_scwrl_1846491604.seq -o /var/tmp/from_scwrl_1846491604.pdb > /var/tmp/scwrl_1846491604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1846491604.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1329034795.pdb -s /var/tmp/to_scwrl_1329034795.seq -o /var/tmp/from_scwrl_1329034795.pdb > /var/tmp/scwrl_1329034795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329034795.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 T0366 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1344064246.pdb -s /var/tmp/to_scwrl_1344064246.seq -o /var/tmp/from_scwrl_1344064246.pdb > /var/tmp/scwrl_1344064246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344064246.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 T0366 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2118399890.pdb -s /var/tmp/to_scwrl_2118399890.seq -o /var/tmp/from_scwrl_2118399890.pdb > /var/tmp/scwrl_2118399890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118399890.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 T0366 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1291904335.pdb -s /var/tmp/to_scwrl_1291904335.seq -o /var/tmp/from_scwrl_1291904335.pdb > /var/tmp/scwrl_1291904335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1291904335.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 T0366 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1956045736.pdb -s /var/tmp/to_scwrl_1956045736.seq -o /var/tmp/from_scwrl_1956045736.pdb > /var/tmp/scwrl_1956045736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956045736.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1087631357.pdb -s /var/tmp/to_scwrl_1087631357.seq -o /var/tmp/from_scwrl_1087631357.pdb > /var/tmp/scwrl_1087631357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1087631357.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 56 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2003186904.pdb -s /var/tmp/to_scwrl_2003186904.seq -o /var/tmp/from_scwrl_2003186904.pdb > /var/tmp/scwrl_2003186904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2003186904.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 96 ; scwrl3 -i /var/tmp/to_scwrl_2042407543.pdb -s /var/tmp/to_scwrl_2042407543.seq -o /var/tmp/from_scwrl_2042407543.pdb > /var/tmp/scwrl_2042407543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042407543.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 96 ; scwrl3 -i /var/tmp/to_scwrl_703096895.pdb -s /var/tmp/to_scwrl_703096895.seq -o /var/tmp/from_scwrl_703096895.pdb > /var/tmp/scwrl_703096895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_703096895.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_460534938.pdb -s /var/tmp/to_scwrl_460534938.seq -o /var/tmp/from_scwrl_460534938.pdb > /var/tmp/scwrl_460534938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_460534938.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2076666334.pdb -s /var/tmp/to_scwrl_2076666334.seq -o /var/tmp/from_scwrl_2076666334.pdb > /var/tmp/scwrl_2076666334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076666334.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1655044864.pdb -s /var/tmp/to_scwrl_1655044864.seq -o /var/tmp/from_scwrl_1655044864.pdb > /var/tmp/scwrl_1655044864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1655044864.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 96 ; scwrl3 -i /var/tmp/to_scwrl_211721241.pdb -s /var/tmp/to_scwrl_211721241.seq -o /var/tmp/from_scwrl_211721241.pdb > /var/tmp/scwrl_211721241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211721241.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_583016046.pdb -s /var/tmp/to_scwrl_583016046.seq -o /var/tmp/from_scwrl_583016046.pdb > /var/tmp/scwrl_583016046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_583016046.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 # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1558468872.pdb -s /var/tmp/to_scwrl_1558468872.seq -o /var/tmp/from_scwrl_1558468872.pdb > /var/tmp/scwrl_1558468872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1558468872.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1942943042.pdb -s /var/tmp/to_scwrl_1942943042.seq -o /var/tmp/from_scwrl_1942943042.pdb > /var/tmp/scwrl_1942943042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1942943042.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1088399672.pdb -s /var/tmp/to_scwrl_1088399672.seq -o /var/tmp/from_scwrl_1088399672.pdb > /var/tmp/scwrl_1088399672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1088399672.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_310107292.pdb -s /var/tmp/to_scwrl_310107292.seq -o /var/tmp/from_scwrl_310107292.pdb > /var/tmp/scwrl_310107292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310107292.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1228907217.pdb -s /var/tmp/to_scwrl_1228907217.seq -o /var/tmp/from_scwrl_1228907217.pdb > /var/tmp/scwrl_1228907217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228907217.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_213080586.pdb -s /var/tmp/to_scwrl_213080586.seq -o /var/tmp/from_scwrl_213080586.pdb > /var/tmp/scwrl_213080586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213080586.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 T0366 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_690294218.pdb -s /var/tmp/to_scwrl_690294218.seq -o /var/tmp/from_scwrl_690294218.pdb > /var/tmp/scwrl_690294218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_690294218.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 T0366 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1564704432.pdb -s /var/tmp/to_scwrl_1564704432.seq -o /var/tmp/from_scwrl_1564704432.pdb > /var/tmp/scwrl_1564704432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1564704432.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1703335233.pdb -s /var/tmp/to_scwrl_1703335233.seq -o /var/tmp/from_scwrl_1703335233.pdb > /var/tmp/scwrl_1703335233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1703335233.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 T0366 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1933250307.pdb -s /var/tmp/to_scwrl_1933250307.seq -o /var/tmp/from_scwrl_1933250307.pdb > /var/tmp/scwrl_1933250307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933250307.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 T0366 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1853845623.pdb -s /var/tmp/to_scwrl_1853845623.seq -o /var/tmp/from_scwrl_1853845623.pdb > /var/tmp/scwrl_1853845623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853845623.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 T0366 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_520089916.pdb -s /var/tmp/to_scwrl_520089916.seq -o /var/tmp/from_scwrl_520089916.pdb > /var/tmp/scwrl_520089916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520089916.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1557177807.pdb -s /var/tmp/to_scwrl_1557177807.seq -o /var/tmp/from_scwrl_1557177807.pdb > /var/tmp/scwrl_1557177807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557177807.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 T0366 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1582702530.pdb -s /var/tmp/to_scwrl_1582702530.seq -o /var/tmp/from_scwrl_1582702530.pdb > /var/tmp/scwrl_1582702530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1582702530.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 T0366 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2013819852.pdb -s /var/tmp/to_scwrl_2013819852.seq -o /var/tmp/from_scwrl_2013819852.pdb > /var/tmp/scwrl_2013819852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013819852.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 T0366 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2051137298.pdb -s /var/tmp/to_scwrl_2051137298.seq -o /var/tmp/from_scwrl_2051137298.pdb > /var/tmp/scwrl_2051137298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051137298.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 T0366 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1281710488.pdb -s /var/tmp/to_scwrl_1281710488.seq -o /var/tmp/from_scwrl_1281710488.pdb > /var/tmp/scwrl_1281710488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281710488.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 99 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1195371000.pdb -s /var/tmp/to_scwrl_1195371000.seq -o /var/tmp/from_scwrl_1195371000.pdb > /var/tmp/scwrl_1195371000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195371000.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 99 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1247717897.pdb -s /var/tmp/to_scwrl_1247717897.seq -o /var/tmp/from_scwrl_1247717897.pdb > /var/tmp/scwrl_1247717897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1247717897.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1252626731.pdb -s /var/tmp/to_scwrl_1252626731.seq -o /var/tmp/from_scwrl_1252626731.pdb > /var/tmp/scwrl_1252626731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1252626731.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 99 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_339791689.pdb -s /var/tmp/to_scwrl_339791689.seq -o /var/tmp/from_scwrl_339791689.pdb > /var/tmp/scwrl_339791689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_339791689.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 # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1056279988.pdb -s /var/tmp/to_scwrl_1056279988.seq -o /var/tmp/from_scwrl_1056279988.pdb > /var/tmp/scwrl_1056279988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1056279988.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 105 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_192774442.pdb -s /var/tmp/to_scwrl_192774442.seq -o /var/tmp/from_scwrl_192774442.pdb > /var/tmp/scwrl_192774442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192774442.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 T0366 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_195494946.pdb -s /var/tmp/to_scwrl_195494946.seq -o /var/tmp/from_scwrl_195494946.pdb > /var/tmp/scwrl_195494946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195494946.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 T0366 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_951203884.pdb -s /var/tmp/to_scwrl_951203884.seq -o /var/tmp/from_scwrl_951203884.pdb > /var/tmp/scwrl_951203884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951203884.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_895871338.pdb -s /var/tmp/to_scwrl_895871338.seq -o /var/tmp/from_scwrl_895871338.pdb > /var/tmp/scwrl_895871338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_895871338.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 T0366 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 96 ; scwrl3 -i /var/tmp/to_scwrl_656029884.pdb -s /var/tmp/to_scwrl_656029884.seq -o /var/tmp/from_scwrl_656029884.pdb > /var/tmp/scwrl_656029884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_656029884.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 T0366 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_880386571.pdb -s /var/tmp/to_scwrl_880386571.seq -o /var/tmp/from_scwrl_880386571.pdb > /var/tmp/scwrl_880386571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_880386571.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_403432555.pdb -s /var/tmp/to_scwrl_403432555.seq -o /var/tmp/from_scwrl_403432555.pdb > /var/tmp/scwrl_403432555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403432555.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 23 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_867751125.pdb -s /var/tmp/to_scwrl_867751125.seq -o /var/tmp/from_scwrl_867751125.pdb > /var/tmp/scwrl_867751125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_867751125.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 96 ; scwrl3 -i /var/tmp/to_scwrl_1463402617.pdb -s /var/tmp/to_scwrl_1463402617.seq -o /var/tmp/from_scwrl_1463402617.pdb > /var/tmp/scwrl_1463402617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1463402617.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1961901427.pdb -s /var/tmp/to_scwrl_1961901427.seq -o /var/tmp/from_scwrl_1961901427.pdb > /var/tmp/scwrl_1961901427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961901427.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 55 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_663210520.pdb -s /var/tmp/to_scwrl_663210520.seq -o /var/tmp/from_scwrl_663210520.pdb > /var/tmp/scwrl_663210520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663210520.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_404318643.pdb -s /var/tmp/to_scwrl_404318643.seq -o /var/tmp/from_scwrl_404318643.pdb > /var/tmp/scwrl_404318643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404318643.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_124525073.pdb -s /var/tmp/to_scwrl_124525073.seq -o /var/tmp/from_scwrl_124525073.pdb > /var/tmp/scwrl_124525073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_124525073.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 T0366 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1892117737.pdb -s /var/tmp/to_scwrl_1892117737.seq -o /var/tmp/from_scwrl_1892117737.pdb > /var/tmp/scwrl_1892117737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1892117737.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 T0366 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_617399230.pdb -s /var/tmp/to_scwrl_617399230.seq -o /var/tmp/from_scwrl_617399230.pdb > /var/tmp/scwrl_617399230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_617399230.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 T0366 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_814819291.pdb -s /var/tmp/to_scwrl_814819291.seq -o /var/tmp/from_scwrl_814819291.pdb > /var/tmp/scwrl_814819291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814819291.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1309338523.pdb -s /var/tmp/to_scwrl_1309338523.seq -o /var/tmp/from_scwrl_1309338523.pdb > /var/tmp/scwrl_1309338523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1309338523.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 93 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_173250816.pdb -s /var/tmp/to_scwrl_173250816.seq -o /var/tmp/from_scwrl_173250816.pdb > /var/tmp/scwrl_173250816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_173250816.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 96 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_600585951.pdb -s /var/tmp/to_scwrl_600585951.seq -o /var/tmp/from_scwrl_600585951.pdb > /var/tmp/scwrl_600585951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_600585951.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1015700500.pdb -s /var/tmp/to_scwrl_1015700500.seq -o /var/tmp/from_scwrl_1015700500.pdb > /var/tmp/scwrl_1015700500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015700500.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 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_693340733.pdb -s /var/tmp/to_scwrl_693340733.seq -o /var/tmp/from_scwrl_693340733.pdb > /var/tmp/scwrl_693340733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_693340733.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_10280112.pdb -s /var/tmp/to_scwrl_10280112.seq -o /var/tmp/from_scwrl_10280112.pdb > /var/tmp/scwrl_10280112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10280112.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 T0366 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_450919383.pdb -s /var/tmp/to_scwrl_450919383.seq -o /var/tmp/from_scwrl_450919383.pdb > /var/tmp/scwrl_450919383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_450919383.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_559676938.pdb -s /var/tmp/to_scwrl_559676938.seq -o /var/tmp/from_scwrl_559676938.pdb > /var/tmp/scwrl_559676938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559676938.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 T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2061417410.pdb -s /var/tmp/to_scwrl_2061417410.seq -o /var/tmp/from_scwrl_2061417410.pdb > /var/tmp/scwrl_2061417410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2061417410.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 T0366 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1732629871.pdb -s /var/tmp/to_scwrl_1732629871.seq -o /var/tmp/from_scwrl_1732629871.pdb > /var/tmp/scwrl_1732629871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1732629871.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 T0366 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1755047938.pdb -s /var/tmp/to_scwrl_1755047938.seq -o /var/tmp/from_scwrl_1755047938.pdb > /var/tmp/scwrl_1755047938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755047938.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 T0366 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_1161651660.pdb -s /var/tmp/to_scwrl_1161651660.seq -o /var/tmp/from_scwrl_1161651660.pdb > /var/tmp/scwrl_1161651660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1161651660.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 T0366 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_837772957.pdb -s /var/tmp/to_scwrl_837772957.seq -o /var/tmp/from_scwrl_837772957.pdb > /var/tmp/scwrl_837772957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_837772957.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0366)M9.N and (T0366)P20.N only 0.000 apart, marking (T0366)P20.N as missing WARNING: atoms too close: (T0366)M9.CA and (T0366)P20.CA only 0.000 apart, marking (T0366)P20.CA as missing WARNING: atoms too close: (T0366)M9.CB and (T0366)P20.CB only 0.000 apart, marking (T0366)P20.CB as missing WARNING: atoms too close: (T0366)M9.O and (T0366)P20.O only 0.000 apart, marking (T0366)P20.O as missing WARNING: atoms too close: (T0366)M9.C and (T0366)P20.C only 0.000 apart, marking (T0366)P20.C as missing # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_2094839627.pdb -s /var/tmp/to_scwrl_2094839627.seq -o /var/tmp/from_scwrl_2094839627.pdb > /var/tmp/scwrl_2094839627.log Error: Couldn't open file /var/tmp/from_scwrl_2094839627.pdb or /var/tmp/from_scwrl_2094839627.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2094839627_b.pdb or decoys//var/tmp/from_scwrl_2094839627_b.pdb.gz for input Trying /var/tmp/from_scwrl_2094839627_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2094839627_b.pdb or /var/tmp/from_scwrl_2094839627_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2094839627_a.pdb or decoys//var/tmp/from_scwrl_2094839627_a.pdb.gz for input Trying /var/tmp/from_scwrl_2094839627_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2094839627_a.pdb or /var/tmp/from_scwrl_2094839627_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2094839627.pdb or /var/tmp/from_scwrl_2094839627_b.pdb or /var/tmp/from_scwrl_2094839627_a.pdb Error: no new SCWRL conformation added # naming current conformation panther3_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0366 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 96 ; scwrl3 -i /var/tmp/to_scwrl_70448001.pdb -s /var/tmp/to_scwrl_70448001.seq -o /var/tmp/from_scwrl_70448001.pdb > /var/tmp/scwrl_70448001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_70448001.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 42.950 sec, elapsed time= 391.095 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 65.112 real_cost = -163.239 shub_TS1 costs 65.112 real_cost = -163.281 panther3_TS1-scwrl costs 78.854 real_cost = -136.799 panther2_TS1-scwrl costs 94.446 real_cost = -38.146 panther2_TS1 costs 94.434 real_cost = -14.128 nFOLD_TS5-scwrl costs 73.015 real_cost = -196.932 nFOLD_TS5 costs 73.188 real_cost = -167.609 nFOLD_TS4-scwrl costs 74.645 real_cost = -30.024 nFOLD_TS4 costs 74.727 real_cost = 1.375 nFOLD_TS3-scwrl costs 82.992 real_cost = 50.185 nFOLD_TS3 costs 83.083 real_cost = 68.848 nFOLD_TS2-scwrl costs 64.776 real_cost = -106.723 nFOLD_TS2 costs 64.776 real_cost = -69.171 nFOLD_TS1-scwrl costs 74.599 real_cost = -35.968 nFOLD_TS1 costs 74.599 real_cost = -42.721 mGen-3D_TS1-scwrl costs 67.750 real_cost = -111.746 mGen-3D_TS1 costs 67.789 real_cost = -71.409 keasar-server_TS5-scwrl costs 71.180 real_cost = -110.771 keasar-server_TS5 costs 71.180 real_cost = -106.443 keasar-server_TS4-scwrl costs 71.180 real_cost = -110.771 keasar-server_TS4 costs 71.180 real_cost = -106.443 keasar-server_TS3-scwrl costs 75.158 real_cost = -79.904 keasar-server_TS3 costs 75.158 real_cost = -66.617 keasar-server_TS2-scwrl costs 65.337 real_cost = -131.955 keasar-server_TS2 costs 65.337 real_cost = -122.002 keasar-server_TS1-scwrl costs 64.977 real_cost = -117.352 keasar-server_TS1 costs 64.977 real_cost = -100.390 karypis.srv_TS5-scwrl costs 67.712 real_cost = -125.231 karypis.srv_TS5 costs 67.712 real_cost = -125.227 karypis.srv_TS4-scwrl costs 63.287 real_cost = -93.806 karypis.srv_TS4 costs 63.165 real_cost = -96.828 karypis.srv_TS3-scwrl costs 67.565 real_cost = -196.835 karypis.srv_TS3 costs 67.588 real_cost = -197.494 karypis.srv_TS2-scwrl costs 62.659 real_cost = -107.562 karypis.srv_TS2 costs 62.630 real_cost = -100.661 karypis.srv_TS1-scwrl costs 74.598 real_cost = -3.032 karypis.srv_TS1 costs 74.584 real_cost = -5.474 karypis.srv.2_TS5-scwrl costs 58.359 real_cost = -84.907 karypis.srv.2_TS5 costs 58.359 real_cost = -84.907 karypis.srv.2_TS4-scwrl costs 61.486 real_cost = -134.786 karypis.srv.2_TS4 costs 61.486 real_cost = -134.786 karypis.srv.2_TS3-scwrl costs 55.008 real_cost = -96.158 karypis.srv.2_TS3 costs 55.008 real_cost = -96.158 karypis.srv.2_TS2-scwrl costs 58.027 real_cost = -150.049 karypis.srv.2_TS2 costs 58.027 real_cost = -150.049 karypis.srv.2_TS1-scwrl costs 69.322 real_cost = 26.674 karypis.srv.2_TS1 costs 69.322 real_cost = 26.674 forecast-s_AL5-scwrl costs 67.119 real_cost = -59.644 forecast-s_AL5 costs 67.119 real_cost = -73.282 forecast-s_AL4-scwrl costs 77.684 real_cost = -78.546 forecast-s_AL4 costs 77.645 real_cost = -49.271 forecast-s_AL3-scwrl costs 95.154 real_cost = 49.564 forecast-s_AL3 costs 95.154 real_cost = 104.730 forecast-s_AL2-scwrl costs 73.109 real_cost = -92.653 forecast-s_AL2 costs 73.109 real_cost = -38.389 forecast-s_AL1-scwrl costs 62.215 real_cost = -128.684 forecast-s_AL1 costs 62.180 real_cost = -77.631 beautshotbase_TS1-scwrl costs 71.386 real_cost = -184.941 beautshotbase_TS1 costs 71.430 real_cost = -188.514 beautshot_TS1-scwrl costs 67.663 real_cost = -165.902 beautshot_TS1 costs 67.663 real_cost = -158.892 Zhang-Server_TS5-scwrl costs 63.820 real_cost = -164.448 Zhang-Server_TS5 costs 63.820 real_cost = -153.850 Zhang-Server_TS4-scwrl costs 65.443 real_cost = -218.362 Zhang-Server_TS4 costs 65.443 real_cost = -212.820 Zhang-Server_TS3-scwrl costs 52.038 real_cost = -209.558 Zhang-Server_TS3 costs 52.038 real_cost = -199.906 Zhang-Server_TS2-scwrl costs 59.468 real_cost = -233.571 Zhang-Server_TS2 costs 59.468 real_cost = -219.297 Zhang-Server_TS1-scwrl costs 58.493 real_cost = -209.419 Zhang-Server_TS1 costs 58.493 real_cost = -195.140 UNI-EID_sfst_AL5-scwrl costs 61.031 real_cost = -192.306 UNI-EID_sfst_AL5 costs 61.204 real_cost = -135.773 UNI-EID_sfst_AL4-scwrl costs 69.788 real_cost = -130.844 UNI-EID_sfst_AL4 costs 69.863 real_cost = -100.714 UNI-EID_sfst_AL3-scwrl costs 76.374 real_cost = -50.338 UNI-EID_sfst_AL3 costs 76.484 real_cost = -0.045 UNI-EID_sfst_AL2-scwrl costs 71.962 real_cost = -87.397 UNI-EID_sfst_AL2 costs 71.971 real_cost = -27.122 UNI-EID_sfst_AL1-scwrl costs 54.676 real_cost = -220.235 UNI-EID_sfst_AL1 costs 54.829 real_cost = -159.833 UNI-EID_expm_TS1-scwrl costs 97.504 real_cost = -157.275 UNI-EID_expm_TS1 costs 97.504 real_cost = -123.111 UNI-EID_bnmx_TS5-scwrl costs 61.675 real_cost = -188.395 UNI-EID_bnmx_TS5 costs 61.847 real_cost = -132.852 UNI-EID_bnmx_TS4-scwrl costs 73.833 real_cost = -148.459 UNI-EID_bnmx_TS4 costs 74.033 real_cost = -109.332 UNI-EID_bnmx_TS3-scwrl costs 78.724 real_cost = -84.522 UNI-EID_bnmx_TS3 costs 78.724 real_cost = -30.495 UNI-EID_bnmx_TS2-scwrl costs 72.168 real_cost = -86.634 UNI-EID_bnmx_TS2 costs 72.241 real_cost = -27.122 UNI-EID_bnmx_TS1-scwrl costs 53.427 real_cost = -215.762 UNI-EID_bnmx_TS1 costs 53.485 real_cost = -157.620 SPARKS2_TS5-scwrl costs 61.056 real_cost = -24.360 SPARKS2_TS5 costs 61.056 real_cost = -28.142 SPARKS2_TS4-scwrl costs 60.616 real_cost = -102.854 SPARKS2_TS4 costs 60.616 real_cost = -93.887 SPARKS2_TS3-scwrl costs 53.971 real_cost = -123.761 SPARKS2_TS3 costs 53.971 real_cost = -106.665 SPARKS2_TS2-scwrl costs 66.634 real_cost = -101.678 SPARKS2_TS2 costs 66.634 real_cost = -104.702 SPARKS2_TS1-scwrl costs 49.313 real_cost = -229.960 SPARKS2_TS1 costs 49.313 real_cost = -229.183 SP4_TS5-scwrl costs 61.725 real_cost = -106.389 SP4_TS5 costs 61.725 real_cost = -103.456 SP4_TS4-scwrl costs 51.209 real_cost = -95.008 SP4_TS4 costs 51.209 real_cost = -86.927 SP4_TS3-scwrl costs 48.346 real_cost = -221.098 SP4_TS3 costs 48.346 real_cost = -217.668 SP4_TS2-scwrl costs 62.669 real_cost = -100.043 SP4_TS2 costs 62.669 real_cost = -87.110 SP4_TS1-scwrl costs 63.104 real_cost = -80.045 SP4_TS1 costs 63.104 real_cost = -83.939 SP3_TS5-scwrl costs 60.205 real_cost = -113.080 SP3_TS5 costs 60.205 real_cost = -105.740 SP3_TS4-scwrl costs 58.793 real_cost = -104.932 SP3_TS4 costs 58.793 real_cost = -106.817 SP3_TS3-scwrl costs 62.669 real_cost = -100.043 SP3_TS3 costs 62.669 real_cost = -87.110 SP3_TS2-scwrl costs 66.634 real_cost = -101.678 SP3_TS2 costs 66.634 real_cost = -104.702 SP3_TS1-scwrl costs 48.346 real_cost = -221.098 SP3_TS1 costs 48.346 real_cost = -217.668 SAM_T06_server_TS5-scwrl costs 77.250 real_cost = -60.531 SAM_T06_server_TS5 costs 77.244 real_cost = -75.784 SAM_T06_server_TS4-scwrl costs 78.229 real_cost = -149.002 SAM_T06_server_TS4 costs 78.228 real_cost = -173.874 SAM_T06_server_TS3-scwrl costs 62.372 real_cost = -94.576 SAM_T06_server_TS3 costs 62.375 real_cost = -110.952 SAM_T06_server_TS2-scwrl costs 74.780 real_cost = -169.803 SAM_T06_server_TS2 costs 74.882 real_cost = -176.482 SAM_T06_server_TS1-scwrl costs 70.865 real_cost = -137.076 SAM_T06_server_TS1 costs 70.865 real_cost = -133.898 SAM-T99_AL3-scwrl costs 90.693 real_cost = -93.116 SAM-T99_AL3 costs 90.818 real_cost = -54.155 SAM-T99_AL2-scwrl costs 58.748 real_cost = -235.792 SAM-T99_AL2 costs 58.754 real_cost = -184.479 SAM-T99_AL1-scwrl costs 61.569 real_cost = -240.701 SAM-T99_AL1 costs 61.576 real_cost = -185.715 SAM-T02_AL5-scwrl costs 70.758 real_cost = -108.110 SAM-T02_AL5 costs 70.710 real_cost = -71.822 SAM-T02_AL4-scwrl costs 67.764 real_cost = -85.968 SAM-T02_AL4 costs 67.800 real_cost = -46.842 SAM-T02_AL3-scwrl costs 61.032 real_cost = -212.255 SAM-T02_AL3 costs 61.038 real_cost = -169.823 SAM-T02_AL2-scwrl costs 64.470 real_cost = -63.243 SAM-T02_AL2 costs 64.633 real_cost = -24.199 SAM-T02_AL1-scwrl costs 72.231 real_cost = -100.164 SAM-T02_AL1 costs 72.123 real_cost = -71.372 ROKKY_TS5-scwrl costs 66.727 real_cost = -31.035 ROKKY_TS5 costs 66.727 real_cost = -26.164 ROKKY_TS4-scwrl costs 67.272 real_cost = -86.342 ROKKY_TS4 costs 67.272 real_cost = -85.732 ROKKY_TS3-scwrl costs 64.634 real_cost = -48.019 ROKKY_TS3 costs 64.634 real_cost = -51.539 ROKKY_TS2-scwrl costs 56.020 real_cost = -194.638 ROKKY_TS2 costs 56.020 real_cost = -203.274 ROKKY_TS1-scwrl costs 49.345 real_cost = -206.591 ROKKY_TS1 costs 49.345 real_cost = -214.350 ROBETTA_TS5-scwrl costs 51.558 real_cost = -147.299 ROBETTA_TS5 costs 51.558 real_cost = -144.424 ROBETTA_TS4-scwrl costs 49.441 real_cost = -196.031 ROBETTA_TS4 costs 49.441 real_cost = -192.931 ROBETTA_TS3-scwrl costs 48.503 real_cost = -221.590 ROBETTA_TS3 costs 48.503 real_cost = -215.065 ROBETTA_TS2-scwrl costs 46.729 real_cost = -206.725 ROBETTA_TS2 costs 46.729 real_cost = -204.473 ROBETTA_TS1-scwrl costs 47.826 real_cost = -200.208 ROBETTA_TS1 costs 47.826 real_cost = -193.835 RAPTOR_TS5-scwrl costs 55.769 real_cost = -142.296 RAPTOR_TS5 costs 55.769 real_cost = -133.042 RAPTOR_TS4-scwrl costs 55.769 real_cost = -142.296 RAPTOR_TS4 costs 55.769 real_cost = -133.042 RAPTOR_TS3-scwrl costs 62.740 real_cost = -170.077 RAPTOR_TS3 costs 62.740 real_cost = -164.079 RAPTOR_TS2-scwrl costs 62.740 real_cost = -170.077 RAPTOR_TS2 costs 62.740 real_cost = -164.079 RAPTOR_TS1-scwrl costs 62.740 real_cost = -170.077 RAPTOR_TS1 costs 62.740 real_cost = -164.079 RAPTORESS_TS5-scwrl costs 75.156 real_cost = -126.220 RAPTORESS_TS5 costs 75.156 real_cost = -115.890 RAPTORESS_TS4-scwrl costs 75.156 real_cost = -126.220 RAPTORESS_TS4 costs 75.156 real_cost = -115.890 RAPTORESS_TS3-scwrl costs 70.643 real_cost = -157.212 RAPTORESS_TS3 costs 70.643 real_cost = -140.780 RAPTORESS_TS2-scwrl costs 70.643 real_cost = -157.212 RAPTORESS_TS2 costs 70.643 real_cost = -140.780 RAPTORESS_TS1-scwrl costs 70.643 real_cost = -157.212 RAPTORESS_TS1 costs 70.643 real_cost = -140.780 RAPTOR-ACE_TS5-scwrl costs 47.969 real_cost = -150.918 RAPTOR-ACE_TS5 costs 47.969 real_cost = -147.108 RAPTOR-ACE_TS4-scwrl costs 54.739 real_cost = -197.159 RAPTOR-ACE_TS4 costs 54.739 real_cost = -201.317 RAPTOR-ACE_TS3-scwrl costs 63.909 real_cost = -155.563 RAPTOR-ACE_TS3 costs 63.909 real_cost = -151.667 RAPTOR-ACE_TS2-scwrl costs 48.346 real_cost = -221.098 RAPTOR-ACE_TS2 costs 48.346 real_cost = -217.668 RAPTOR-ACE_TS1-scwrl costs 50.737 real_cost = -162.597 RAPTOR-ACE_TS1 costs 50.737 real_cost = -168.987 Pmodeller6_TS5-scwrl costs 55.329 real_cost = -215.381 Pmodeller6_TS5 costs 55.418 real_cost = -207.285 Pmodeller6_TS4-scwrl costs 76.065 real_cost = -65.236 Pmodeller6_TS4 costs 76.042 real_cost = -69.995 Pmodeller6_TS3-scwrl costs 47.826 real_cost = -200.208 Pmodeller6_TS3 costs 47.826 real_cost = -193.835 Pmodeller6_TS2-scwrl costs 60.658 real_cost = -197.111 Pmodeller6_TS2 costs 60.702 real_cost = -198.096 Pmodeller6_TS1-scwrl costs 48.503 real_cost = -221.590 Pmodeller6_TS1 costs 48.503 real_cost = -215.065 Phyre-2_TS5-scwrl costs 65.484 real_cost = -193.860 Phyre-2_TS5 costs 65.484 real_cost = -189.552 Phyre-2_TS4-scwrl costs 68.165 real_cost = -200.432 Phyre-2_TS4 costs 68.165 real_cost = -188.892 Phyre-2_TS3-scwrl costs 65.964 real_cost = -198.407 Phyre-2_TS3 costs 65.964 real_cost = -188.842 Phyre-2_TS2-scwrl costs 67.950 real_cost = -200.444 Phyre-2_TS2 costs 67.950 real_cost = -189.003 Phyre-2_TS1-scwrl costs 67.002 real_cost = -199.283 Phyre-2_TS1 costs 67.002 real_cost = -187.870 Phyre-1_TS1-scwrl costs 81.763 real_cost = -42.425 Phyre-1_TS1 costs 81.834 real_cost = -48.641 Pcons6_TS5-scwrl costs 65.594 real_cost = -83.585 Pcons6_TS5 costs 65.673 real_cost = -86.115 Pcons6_TS4-scwrl costs 73.437 real_cost = -112.018 Pcons6_TS4 costs 73.437 real_cost = -112.014 Pcons6_TS3-scwrl costs 57.398 real_cost = -193.275 Pcons6_TS3 costs 57.404 real_cost = -187.499 Pcons6_TS2-scwrl costs 64.732 real_cost = -203.073 Pcons6_TS2 costs 64.601 real_cost = -197.171 Pcons6_TS1-scwrl costs 55.329 real_cost = -215.381 Pcons6_TS1 costs 55.418 real_cost = -207.285 PROTINFO_TS5-scwrl costs 66.465 real_cost = -109.685 PROTINFO_TS5 costs 66.465 real_cost = -104.160 PROTINFO_TS4-scwrl costs 63.644 real_cost = -183.457 PROTINFO_TS4 costs 63.644 real_cost = -177.382 PROTINFO_TS3-scwrl costs 59.792 real_cost = -187.866 PROTINFO_TS3 costs 59.792 real_cost = -183.644 PROTINFO_TS2-scwrl costs 50.500 real_cost = -160.198 PROTINFO_TS2 costs 50.500 real_cost = -160.248 PROTINFO_TS1-scwrl costs 51.858 real_cost = -209.720 PROTINFO_TS1 costs 51.858 real_cost = -203.642 PROTINFO-AB_TS5-scwrl costs 68.629 real_cost = -172.280 PROTINFO-AB_TS5 costs 68.629 real_cost = -170.076 PROTINFO-AB_TS4-scwrl costs 69.471 real_cost = -188.639 PROTINFO-AB_TS4 costs 69.471 real_cost = -179.282 PROTINFO-AB_TS3-scwrl costs 69.730 real_cost = -182.622 PROTINFO-AB_TS3 costs 69.730 real_cost = -172.662 PROTINFO-AB_TS2-scwrl costs 67.730 real_cost = -194.181 PROTINFO-AB_TS2 costs 67.730 real_cost = -181.205 PROTINFO-AB_TS1-scwrl costs 69.366 real_cost = -198.605 PROTINFO-AB_TS1 costs 69.366 real_cost = -177.573 NN_PUT_lab_TS1-scwrl costs 74.599 real_cost = -35.968 NN_PUT_lab_TS1 costs 74.599 real_cost = -42.721 MetaTasser_TS5-scwrl costs 76.645 real_cost = -169.831 MetaTasser_TS5 costs 76.645 real_cost = -173.473 MetaTasser_TS4-scwrl costs 79.649 real_cost = -185.747 MetaTasser_TS4 costs 79.649 real_cost = -178.818 MetaTasser_TS3-scwrl costs 80.712 real_cost = -180.410 MetaTasser_TS3 costs 80.712 real_cost = -177.326 MetaTasser_TS2-scwrl costs 92.410 real_cost = -166.353 MetaTasser_TS2 costs 92.410 real_cost = -157.847 MetaTasser_TS1-scwrl costs 77.355 real_cost = -192.388 MetaTasser_TS1 costs 77.355 real_cost = -182.712 Ma-OPUS-server_TS5-scwrl costs 55.995 real_cost = -203.709 Ma-OPUS-server_TS5 costs 55.995 real_cost = -202.736 Ma-OPUS-server_TS4-scwrl costs 62.442 real_cost = -161.745 Ma-OPUS-server_TS4 costs 62.442 real_cost = -157.215 Ma-OPUS-server_TS3-scwrl costs 50.249 real_cost = -199.412 Ma-OPUS-server_TS3 costs 50.249 real_cost = -200.212 Ma-OPUS-server_TS2-scwrl costs 62.408 real_cost = -152.691 Ma-OPUS-server_TS2 costs 62.408 real_cost = -145.101 Ma-OPUS-server_TS1-scwrl costs 50.268 real_cost = -206.960 Ma-OPUS-server_TS1 costs 50.268 real_cost = -201.884 Ma-OPUS-server2_TS5-scwrl costs 55.995 real_cost = -203.709 Ma-OPUS-server2_TS5 costs 55.995 real_cost = -202.736 Ma-OPUS-server2_TS4-scwrl costs 50.699 real_cost = -219.644 Ma-OPUS-server2_TS4 costs 50.699 real_cost = -215.814 Ma-OPUS-server2_TS3-scwrl costs 62.408 real_cost = -152.691 Ma-OPUS-server2_TS3 costs 62.408 real_cost = -145.101 Ma-OPUS-server2_TS2-scwrl costs 59.184 real_cost = -169.109 Ma-OPUS-server2_TS2 costs 59.184 real_cost = -164.216 Ma-OPUS-server2_TS1-scwrl costs 50.268 real_cost = -206.960 Ma-OPUS-server2_TS1 costs 50.268 real_cost = -201.884 MIG_FROST_AL1-scwrl costs 67.711 real_cost = -118.169 MIG_FROST_AL1 costs 67.750 real_cost = -59.897 LOOPP_TS5-scwrl costs 60.898 real_cost = -10.568 LOOPP_TS5 costs 60.907 real_cost = -3.387 LOOPP_TS4-scwrl costs 79.588 real_cost = -91.043 LOOPP_TS4 costs 79.523 real_cost = -69.895 LOOPP_TS3-scwrl costs 69.198 real_cost = -178.857 LOOPP_TS3 costs 69.242 real_cost = -176.471 LOOPP_TS2-scwrl costs 65.943 real_cost = -150.365 LOOPP_TS2 costs 65.963 real_cost = -141.444 LOOPP_TS1-scwrl costs 65.297 real_cost = -185.673 LOOPP_TS1 costs 65.307 real_cost = -184.899 Huber-Torda-Server_TS5-scwrl costs 77.810 real_cost = -38.883 Huber-Torda-Server_TS5 costs 77.592 real_cost = -8.742 Huber-Torda-Server_TS4-scwrl costs 60.997 real_cost = -114.192 Huber-Torda-Server_TS4 costs 60.760 real_cost = -78.462 Huber-Torda-Server_TS3-scwrl costs 67.607 real_cost = -115.968 Huber-Torda-Server_TS3 costs 67.621 real_cost = -92.103 Huber-Torda-Server_TS2-scwrl costs 78.125 real_cost = -132.637 Huber-Torda-Server_TS2 costs 78.125 real_cost = -101.486 Huber-Torda-Server_TS1-scwrl costs 55.795 real_cost = -221.130 Huber-Torda-Server_TS1 costs 55.907 real_cost = -181.167 HHpred3_TS1-scwrl costs 53.100 real_cost = -186.786 HHpred3_TS1 costs 53.100 real_cost = -190.437 HHpred2_TS1-scwrl costs 53.100 real_cost = -186.786 HHpred2_TS1 costs 53.100 real_cost = -190.437 HHpred1_TS1-scwrl costs 72.471 real_cost = -76.349 HHpred1_TS1 costs 72.471 real_cost = -67.440 GeneSilicoMetaServer_TS4-scwrl costs 59.834 real_cost = -122.243 GeneSilicoMetaServer_TS4 costs 59.834 real_cost = -128.356 GeneSilicoMetaServer_TS3-scwrl costs 59.825 real_cost = -118.244 GeneSilicoMetaServer_TS3 costs 59.820 real_cost = -114.697 GeneSilicoMetaServer_TS2-scwrl costs 50.626 real_cost = -204.154 GeneSilicoMetaServer_TS2 costs 50.666 real_cost = -202.597 GeneSilicoMetaServer_TS1-scwrl costs 56.544 real_cost = -134.857 GeneSilicoMetaServer_TS1 costs 56.532 real_cost = -130.867 Frankenstein_TS5-scwrl costs 67.051 real_cost = -123.876 Frankenstein_TS5 costs 67.051 real_cost = -110.514 Frankenstein_TS4-scwrl costs 55.658 real_cost = -100.097 Frankenstein_TS4 costs 55.658 real_cost = -98.132 Frankenstein_TS3-scwrl costs 50.188 real_cost = -129.922 Frankenstein_TS3 costs 50.188 real_cost = -127.167 Frankenstein_TS2-scwrl costs 57.948 real_cost = -127.276 Frankenstein_TS2 costs 57.948 real_cost = -122.506 Frankenstein_TS1-scwrl costs 52.229 real_cost = -193.010 Frankenstein_TS1 costs 52.229 real_cost = -178.196 FUNCTION_TS5-scwrl costs 65.460 real_cost = -160.736 FUNCTION_TS5 costs 65.460 real_cost = -155.953 FUNCTION_TS4-scwrl costs 60.208 real_cost = -201.140 FUNCTION_TS4 costs 60.208 real_cost = -181.223 FUNCTION_TS3-scwrl costs 61.327 real_cost = -171.463 FUNCTION_TS3 costs 61.327 real_cost = -153.493 FUNCTION_TS2-scwrl costs 70.564 real_cost = -160.407 FUNCTION_TS2 costs 70.564 real_cost = -147.475 FUNCTION_TS1-scwrl costs 59.657 real_cost = -191.091 FUNCTION_TS1 costs 59.657 real_cost = -164.844 FUGUE_AL5-scwrl costs 68.555 real_cost = -104.888 FUGUE_AL5 costs 68.620 real_cost = -61.921 FUGUE_AL4-scwrl costs 81.430 real_cost = 134.266 FUGUE_AL4 costs 81.430 real_cost = 196.237 FUGUE_AL3-scwrl costs 70.154 real_cost = -130.611 FUGUE_AL3 costs 70.495 real_cost = -104.003 FUGUE_AL2-scwrl costs 60.259 real_cost = -214.827 FUGUE_AL2 costs 60.318 real_cost = -162.968 FUGUE_AL1-scwrl costs 62.528 real_cost = -121.913 FUGUE_AL1 costs 62.629 real_cost = -66.981 FUGMOD_TS5-scwrl costs 64.221 real_cost = -119.189 FUGMOD_TS5 costs 64.189 real_cost = -104.588 FUGMOD_TS4-scwrl costs 65.720 real_cost = 101.229 FUGMOD_TS4 costs 65.720 real_cost = 94.122 FUGMOD_TS3-scwrl costs 67.885 real_cost = -135.914 FUGMOD_TS3 costs 67.841 real_cost = -119.698 FUGMOD_TS2-scwrl costs 56.209 real_cost = -178.144 FUGMOD_TS2 costs 56.209 real_cost = -176.885 FUGMOD_TS1-scwrl costs 65.363 real_cost = -131.901 FUGMOD_TS1 costs 65.407 real_cost = -131.136 FPSOLVER-SERVER_TS5-scwrl costs 151.873 real_cost = 317.921 FPSOLVER-SERVER_TS5 costs 151.873 real_cost = 317.535 FPSOLVER-SERVER_TS4-scwrl costs 147.262 real_cost = 315.743 FPSOLVER-SERVER_TS4 costs 147.262 real_cost = 315.533 FPSOLVER-SERVER_TS3-scwrl costs 140.284 real_cost = 303.814 FPSOLVER-SERVER_TS3 costs 140.284 real_cost = 309.366 FPSOLVER-SERVER_TS2-scwrl costs 159.849 real_cost = 323.322 FPSOLVER-SERVER_TS2 costs 159.849 real_cost = 323.344 FPSOLVER-SERVER_TS1-scwrl costs 151.357 real_cost = 331.685 FPSOLVER-SERVER_TS1 costs 151.357 real_cost = 325.218 FORTE2_AL5-scwrl costs 72.470 real_cost = -41.196 FORTE2_AL5 costs 72.470 real_cost = 15.414 FORTE2_AL4-scwrl costs 83.004 real_cost = 63.464 FORTE2_AL4 costs 83.004 real_cost = 132.618 FORTE2_AL3-scwrl costs 83.113 real_cost = 38.624 FORTE2_AL3 costs 83.113 real_cost = 42.085 FORTE2_AL2-scwrl costs 79.934 real_cost = 76.875 FORTE2_AL2 costs 79.934 real_cost = 54.867 FORTE2_AL1-scwrl costs 76.634 real_cost = -79.904 FORTE2_AL1 costs 76.634 real_cost = -24.282 FORTE1_AL5-scwrl costs 83.004 real_cost = 63.464 FORTE1_AL5 costs 83.004 real_cost = 132.618 FORTE1_AL4-scwrl costs 72.470 real_cost = -41.196 FORTE1_AL4 costs 72.470 real_cost = 15.414 FORTE1_AL3-scwrl costs 76.634 real_cost = -79.904 FORTE1_AL3 costs 76.634 real_cost = -24.282 FORTE1_AL2-scwrl costs 68.078 real_cost = -58.677 FORTE1_AL2 costs 68.078 real_cost = -72.314 FORTE1_AL1-scwrl costs 79.441 real_cost = 77.124 FORTE1_AL1 costs 79.441 real_cost = 55.116 FOLDpro_TS5-scwrl costs 51.498 real_cost = -139.997 FOLDpro_TS5 costs 51.498 real_cost = -150.951 FOLDpro_TS4-scwrl costs 48.231 real_cost = -216.013 FOLDpro_TS4 costs 48.231 real_cost = -208.509 FOLDpro_TS3-scwrl costs 47.701 real_cost = -212.537 FOLDpro_TS3 costs 47.701 real_cost = -211.697 FOLDpro_TS2-scwrl costs 53.184 real_cost = -151.608 FOLDpro_TS2 costs 53.184 real_cost = -139.557 FOLDpro_TS1-scwrl costs 47.833 real_cost = -202.799 FOLDpro_TS1 costs 47.833 real_cost = -197.788 FAMS_TS5-scwrl costs 59.657 real_cost = -191.091 FAMS_TS5 costs 59.657 real_cost = -164.844 FAMS_TS4-scwrl costs 74.969 real_cost = -107.388 FAMS_TS4 costs 74.969 real_cost = -94.271 FAMS_TS3-scwrl costs 65.460 real_cost = -160.736 FAMS_TS3 costs 65.460 real_cost = -155.953 FAMS_TS2-scwrl costs 70.564 real_cost = -160.407 FAMS_TS2 costs 70.564 real_cost = -147.475 FAMS_TS1-scwrl costs 64.564 real_cost = -164.793 FAMS_TS1 costs 64.564 real_cost = -145.019 FAMSD_TS5-scwrl costs 70.286 real_cost = -98.906 FAMSD_TS5 costs 70.313 real_cost = -94.815 FAMSD_TS4-scwrl costs 92.964 real_cost = 47.332 FAMSD_TS4 costs 92.964 real_cost = 38.517 FAMSD_TS3-scwrl costs 71.258 real_cost = -149.532 FAMSD_TS3 costs 71.258 real_cost = -135.409 FAMSD_TS2-scwrl costs 56.185 real_cost = -210.510 FAMSD_TS2 costs 56.132 real_cost = -208.022 FAMSD_TS1-scwrl costs 55.646 real_cost = -191.912 FAMSD_TS1 costs 55.646 real_cost = -172.623 Distill_TS5-scwrl costs 224.379 real_cost = 178.824 Distill_TS4-scwrl costs 225.455 real_cost = 172.269 Distill_TS3-scwrl costs 227.182 real_cost = 175.076 Distill_TS2-scwrl costs 225.253 real_cost = 164.320 Distill_TS1-scwrl costs 227.358 real_cost = 169.683 CaspIta-FOX_TS5-scwrl costs 75.971 real_cost = -16.362 CaspIta-FOX_TS5 costs 75.997 real_cost = -10.695 CaspIta-FOX_TS4-scwrl costs 67.212 real_cost = -78.212 CaspIta-FOX_TS4 costs 67.212 real_cost = -66.751 CaspIta-FOX_TS3-scwrl costs 76.616 real_cost = -157.423 CaspIta-FOX_TS3 costs 76.748 real_cost = -161.656 CaspIta-FOX_TS2-scwrl costs 72.808 real_cost = -4.716 CaspIta-FOX_TS2 costs 72.795 real_cost = 8.780 CaspIta-FOX_TS1-scwrl costs 68.244 real_cost = -206.057 CaspIta-FOX_TS1 costs 68.307 real_cost = -207.363 CPHmodels_TS1-scwrl costs 60.182 real_cost = -213.601 CPHmodels_TS1 costs 60.193 real_cost = -213.827 CIRCLE_TS5-scwrl costs 71.062 real_cost = -94.684 CIRCLE_TS5 costs 71.062 real_cost = -111.093 CIRCLE_TS4-scwrl costs 65.135 real_cost = -184.255 CIRCLE_TS4 costs 65.082 real_cost = -162.300 CIRCLE_TS3-scwrl costs 74.969 real_cost = -107.388 CIRCLE_TS3 costs 74.969 real_cost = -94.271 CIRCLE_TS2-scwrl costs 75.615 real_cost = -59.327 CIRCLE_TS2 costs 75.615 real_cost = -47.857 CIRCLE_TS1-scwrl costs 61.360 real_cost = -142.385 CIRCLE_TS1 costs 61.360 real_cost = -129.373 Bilab-ENABLE_TS5-scwrl costs 58.626 real_cost = -102.699 Bilab-ENABLE_TS5 costs 58.626 real_cost = -102.699 Bilab-ENABLE_TS4-scwrl costs 62.076 real_cost = -99.983 Bilab-ENABLE_TS4 costs 62.076 real_cost = -99.983 Bilab-ENABLE_TS3-scwrl costs 54.552 real_cost = -106.700 Bilab-ENABLE_TS3 costs 54.552 real_cost = -106.700 Bilab-ENABLE_TS2-scwrl costs 50.933 real_cost = -207.114 Bilab-ENABLE_TS2 costs 50.933 real_cost = -207.114 Bilab-ENABLE_TS1-scwrl costs 49.145 real_cost = -195.473 Bilab-ENABLE_TS1 costs 49.145 real_cost = -195.473 BayesHH_TS1-scwrl costs 55.782 real_cost = -195.803 BayesHH_TS1 costs 55.782 real_cost = -201.091 ABIpro_TS5-scwrl costs 97.734 real_cost = 212.369 ABIpro_TS5 costs 97.734 real_cost = 212.369 ABIpro_TS4-scwrl costs 106.342 real_cost = 237.983 ABIpro_TS4 costs 106.342 real_cost = 237.983 ABIpro_TS3-scwrl costs 96.757 real_cost = 252.667 ABIpro_TS3 costs 96.757 real_cost = 252.667 ABIpro_TS2-scwrl costs 116.673 real_cost = 267.122 ABIpro_TS2 costs 116.673 real_cost = 267.122 ABIpro_TS1-scwrl costs 107.010 real_cost = 253.333 ABIpro_TS1 costs 107.010 real_cost = 253.333 3Dpro_TS5-scwrl costs 51.642 real_cost = -158.694 3Dpro_TS5 costs 51.642 real_cost = -160.509 3Dpro_TS4-scwrl costs 46.871 real_cost = -210.981 3Dpro_TS4 costs 46.871 real_cost = -204.348 3Dpro_TS3-scwrl costs 48.231 real_cost = -216.013 3Dpro_TS3 costs 48.231 real_cost = -208.509 3Dpro_TS2-scwrl costs 47.701 real_cost = -212.537 3Dpro_TS2 costs 47.701 real_cost = -211.697 3Dpro_TS1-scwrl costs 47.833 real_cost = -202.799 3Dpro_TS1 costs 47.833 real_cost = -197.788 3D-JIGSAW_TS5-scwrl costs 63.941 real_cost = -136.904 3D-JIGSAW_TS5 costs 63.985 real_cost = -131.286 3D-JIGSAW_TS4-scwrl costs 55.276 real_cost = -194.349 3D-JIGSAW_TS4 costs 55.277 real_cost = -176.002 3D-JIGSAW_TS3-scwrl costs 61.378 real_cost = -168.693 3D-JIGSAW_TS3 costs 61.392 real_cost = -152.993 3D-JIGSAW_TS2-scwrl costs 62.824 real_cost = -208.772 3D-JIGSAW_TS2 costs 62.926 real_cost = -189.433 3D-JIGSAW_TS1-scwrl costs 58.529 real_cost = -203.315 3D-JIGSAW_TS1 costs 58.476 real_cost = -181.500 3D-JIGSAW_RECOM_TS5-scwrl costs 57.484 real_cost = -208.680 3D-JIGSAW_RECOM_TS5 costs 57.515 real_cost = -208.283 3D-JIGSAW_RECOM_TS4-scwrl costs 66.668 real_cost = -191.136 3D-JIGSAW_RECOM_TS4 costs 66.677 real_cost = -200.064 3D-JIGSAW_RECOM_TS3-scwrl costs 66.668 real_cost = -191.136 3D-JIGSAW_RECOM_TS3 costs 66.677 real_cost = -200.064 3D-JIGSAW_RECOM_TS2-scwrl costs 66.204 real_cost = -191.201 3D-JIGSAW_RECOM_TS2 costs 66.213 real_cost = -209.881 3D-JIGSAW_RECOM_TS1-scwrl costs 65.289 real_cost = -183.283 3D-JIGSAW_RECOM_TS1 costs 65.308 real_cost = -194.307 3D-JIGSAW_POPULUS_TS5-scwrl costs 56.842 real_cost = -196.368 3D-JIGSAW_POPULUS_TS5 costs 56.776 real_cost = -192.951 3D-JIGSAW_POPULUS_TS4-scwrl costs 50.512 real_cost = -222.531 3D-JIGSAW_POPULUS_TS4 costs 50.513 real_cost = -226.579 3D-JIGSAW_POPULUS_TS3-scwrl costs 50.208 real_cost = -229.477 3D-JIGSAW_POPULUS_TS3 costs 50.209 real_cost = -230.606 3D-JIGSAW_POPULUS_TS2-scwrl costs 50.994 real_cost = -228.588 3D-JIGSAW_POPULUS_TS2 costs 50.995 real_cost = -231.504 3D-JIGSAW_POPULUS_TS1-scwrl costs 54.082 real_cost = -180.067 3D-JIGSAW_POPULUS_TS1 costs 54.069 real_cost = -176.122 dimer//dimer-try3-1tp5A costs 61.675 real_cost = -206.881 dimer//dimer-try3-1g9oA costs 61.675 real_cost = -206.852 dimer//dimer-try3-1g9oA-take6 costs 68.934 real_cost = -169.744 dimer//dimer-try3-1g9oA-take5 costs 70.227 real_cost = -169.744 dimer//dimer-try3-1g9oA-take4 costs 67.710 real_cost = -169.705 dimer//dimer-try3-1g9oA-take3 costs 67.732 real_cost = -169.140 dimer//dimer-try3-1g9oA-take2 costs 62.453 real_cost = -169.126 dimer//dimer-tr366-1tp5A costs 52.100 real_cost = -217.313 dimer//dimer-tr366-1g9oA costs 52.100 real_cost = -217.344 dimer//try9-opt2.unpack costs 48.883 real_cost = -217.401 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 51.699 real_cost = -222.496 dimer//try9-opt2.unpack.gromacs0 costs 51.699 real_cost = -218.996 dimer//try9-opt2.repack-nonPC costs 48.883 real_cost = -222.064 dimer//try9-opt2 costs 48.883 real_cost = -217.401 dimer//try9-opt1 costs 48.833 real_cost = -219.611 dimer//try9-opt1-scwrl costs 48.833 real_cost = -214.652 dimer//try8-opt2.unpack costs 51.814 real_cost = -227.346 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 51.639 real_cost = -226.834 dimer//try8-opt2.unpack.gromacs0 costs 51.639 real_cost = -221.611 dimer//try8-opt2.repack-nonPC costs 51.814 real_cost = -234.675 dimer//try8-opt2 costs 51.814 real_cost = -227.346 dimer//try8-opt1 costs 52.640 real_cost = -231.530 dimer//try8-opt1-scwrl costs 52.640 real_cost = -227.078 dimer//try7-opt2.unpack costs 52.191 real_cost = -222.557 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 49.734 real_cost = -232.401 dimer//try7-opt2.unpack.gromacs0 costs 49.734 real_cost = -225.081 dimer//try7-opt2.repack-nonPC costs 52.191 real_cost = -225.120 dimer//try7-opt2 costs 52.191 real_cost = -222.557 dimer//try7-opt1 costs 52.322 real_cost = -216.240 dimer//try7-opt1-scwrl costs 52.322 real_cost = -228.509 dimer//try6-opt2.unpack costs 58.998 real_cost = -223.694 dimer//try6-opt2.unpack.gromacs0.repack-nonPC costs 48.906 real_cost = -229.282 dimer//try6-opt2.unpack.gromacs0 costs 48.906 real_cost = -220.646 dimer//try6-opt2.repack-nonPC costs 58.998 real_cost = -229.682 dimer//try6-opt2 costs 58.998 real_cost = -223.694 dimer//try6-opt1 costs 59.356 real_cost = -224.758 dimer//try6-opt1-scwrl costs 59.356 real_cost = -229.426 dimer//try5-opt2.unpack costs 57.258 real_cost = -192.221 dimer//try5-opt2.unpack.gromacs0.repack-nonPC costs 52.521 real_cost = -189.934 dimer//try5-opt2.unpack.gromacs0 costs 52.521 real_cost = -196.386 dimer//try5-opt2.repack-nonPC costs 57.258 real_cost = -182.395 dimer//try5-opt2 costs 57.258 real_cost = -192.221 dimer//try5-opt1 costs 56.197 real_cost = -193.623 dimer//try5-opt1-scwrl costs 56.197 real_cost = -193.501 dimer//try4-opt2.unpack costs 65.533 real_cost = -173.335 dimer//try4-opt2.unpack.gromacs0.repack-nonPC costs 55.149 real_cost = -168.429 dimer//try4-opt2.unpack.gromacs0 costs 55.149 real_cost = -179.084 dimer//try4-opt2.repack-nonPC costs 65.533 real_cost = -172.062 dimer//try4-opt2 costs 65.533 real_cost = -173.335 dimer//try4-opt1 costs 62.584 real_cost = -175.031 dimer//try4-opt1-scwrl costs 62.584 real_cost = -183.868 dimer//try3-opt2.unpack costs 57.705 real_cost = -193.218 dimer//try3-opt2.unpack.gromacs0.repack-nonPC.unpack costs 52.472 real_cost = -187.816 dimer//try3-opt2.unpack.gromacs0.repack-nonPC costs 52.472 real_cost = -187.816 dimer//try3-opt2.unpack.gromacs0 costs 52.472 real_cost = -198.627 dimer//try3-opt2.repack-nonPC costs 57.705 real_cost = -186.791 dimer//try3-opt2 costs 57.705 real_cost = -193.218 dimer//try3-opt1 costs 57.389 real_cost = -193.056 dimer//try3-opt1-scwrl costs 57.389 real_cost = -191.597 dimer//try2-opt2.unpack costs 68.167 real_cost = -210.591 dimer//try2-opt2.unpack.gromacs0.repack-nonPC costs 54.117 real_cost = -214.188 dimer//try2-opt2.unpack.gromacs0 costs 54.117 real_cost = -214.057 dimer//try2-opt2.repack-nonPC costs 68.167 real_cost = -204.086 dimer//try2-opt2 costs 68.167 real_cost = -210.591 dimer//try2-opt1 costs 67.259 real_cost = -206.729 dimer//try2-opt1-scwrl costs 67.259 real_cost = -212.662 dimer//try12-opt2.unpack costs 49.784 real_cost = -219.235 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 50.814 real_cost = -216.051 dimer//try12-opt2.unpack.gromacs0 costs 50.814 real_cost = -221.077 dimer//try12-opt2.repack-nonPC costs 49.784 real_cost = -220.509 dimer//try12-opt2 costs 49.784 real_cost = -219.235 dimer//try12-opt1 costs 49.632 real_cost = -220.020 dimer//try12-opt1-scwrl costs 49.632 real_cost = -220.066 dimer//try11-opt2.unpack costs 50.263 real_cost = -220.530 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 52.976 real_cost = -218.881 dimer//try11-opt2.unpack.gromacs0 costs 52.976 real_cost = -221.419 dimer//try11-opt2.repack-nonPC costs 50.263 real_cost = -219.516 dimer//try11-opt2 costs 50.263 real_cost = -220.530 dimer//try11-opt1 costs 49.972 real_cost = -219.142 dimer//try11-opt1-scwrl costs 49.972 real_cost = -221.429 dimer//try10-opt2.unpack costs 51.659 real_cost = -215.166 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 52.713 real_cost = -221.201 dimer//try10-opt2.unpack.gromacs0 costs 52.713 real_cost = -218.337 dimer//try10-opt2.repack-nonPC costs 51.659 real_cost = -222.488 dimer//try10-opt2 costs 51.659 real_cost = -215.166 dimer//try10-opt1 costs 51.421 real_cost = -218.001 dimer//try10-opt1-scwrl costs 51.421 real_cost = -218.254 dimer//try1-opt2.unpack costs 68.327 real_cost = -206.778 dimer//try1-opt2.unpack.gromacs0.repack-nonPC.unpack costs 54.758 real_cost = -213.115 dimer//try1-opt2.unpack.gromacs0.repack-nonPC costs 54.758 real_cost = -213.115 dimer//try1-opt2.unpack.gromacs0 costs 54.758 real_cost = -211.407 dimer//try1-opt2.repack-nonPC costs 68.327 real_cost = -206.261 dimer//try1-opt2 costs 68.327 real_cost = -206.778 dimer//try1-opt1 costs 60.396 real_cost = -204.620 dimer//try1-opt1-scwrl costs 60.396 real_cost = -214.841 dimer//bad-try4-opt1 costs 61.006 real_cost = -212.598 dimer//bad-try4-opt1-scwrl costs 61.006 real_cost = -216.603 tr366.repack-nonPC.pdb.gz costs 52.038 real_cost = -210.981 tr366.pdb.gz costs 52.038 real_cost = -199.906 tr366.gromacs0.repack-nonPC.pdb.gz costs 52.100 real_cost = -217.321 tr366.gromacs0.pdb.gz costs 52.100 real_cost = -201.378 T0366.try4-opt2.repack-nonPC.pdb.gz costs 54.629 real_cost = -214.344 T0366.try4-opt2.pdb.gz costs 54.629 real_cost = -219.151 T0366.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.680 real_cost = -217.833 T0366.try4-opt2.gromacs0.pdb.gz costs 53.680 real_cost = -221.501 T0366.try4-opt1.pdb.gz costs 54.629 real_cost = -216.327 T0366.try4-opt1-scwrl.pdb.gz costs 54.629 real_cost = -214.411 T0366.try3-opt2.repack-nonPC.pdb.gz costs 61.675 real_cost = -206.133 T0366.try3-opt2.pdb.gz costs 61.675 real_cost = -206.636 T0366.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.296 real_cost = -201.235 T0366.try3-opt2.gromacs0.pdb.gz costs 54.296 real_cost = -206.257 T0366.try3-opt2-edit7.pdb.gz costs 64.522 real_cost = -169.720 T0366.try3-opt2-edit6.pdb.gz costs 65.815 real_cost = -169.720 T0366.try3-opt2-edit5.pdb.gz costs 68.662 real_cost = -169.706 T0366.try3-opt2-edit4.pdb.gz costs 67.732 real_cost = -169.713 T0366.try3-opt2-edit3.pdb.gz costs 62.453 real_cost = -169.096 T0366.try3-opt1.pdb.gz costs 66.087 real_cost = -209.599 T0366.try3-opt1-scwrl.pdb.gz costs 66.087 real_cost = -214.119 T0366.try2-opt2.repack-nonPC.pdb.gz costs 54.177 real_cost = -218.716 T0366.try2-opt2.pdb.gz costs 54.177 real_cost = -211.915 T0366.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.222 real_cost = -218.167 T0366.try2-opt2.gromacs0.pdb.gz costs 52.222 real_cost = -212.094 T0366.try2-opt1.pdb.gz costs 54.418 real_cost = -211.940 T0366.try2-opt1-scwrl.pdb.gz costs 54.418 real_cost = -219.484 T0366.try1-opt2.repack-nonPC.pdb.gz costs 66.752 real_cost = -202.924 T0366.try1-opt2.pdb.gz costs 66.752 real_cost = -210.261 T0366.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.875 real_cost = -208.754 T0366.try1-opt2.gromacs0.pdb.gz costs 54.875 real_cost = -214.742 T0366.try1-opt1.pdb.gz costs 62.260 real_cost = -203.784 T0366.try1-opt1-scwrl.pdb.gz costs 62.260 real_cost = -207.707 ../refine.model5.ts-submitted costs 51.659 real_cost = -215.112 ../refine.model4.ts-submitted costs 51.699 real_cost = -222.230 ../refine.model3.ts-submitted costs 49.784 real_cost = -219.246 ../refine.model2.ts-submitted costs 49.734 real_cost = -232.424 ../refine.model1.ts-submitted costs 52.441 real_cost = -227.335 ../model5.ts-submitted costs 70.427 real_cost = -203.140 ../model4.ts-submitted costs 68.167 real_cost = -210.639 ../model3.ts-submitted costs 57.258 real_cost = -192.237 ../model2.ts-submitted costs 53.680 real_cost = -218.612 ../model1.ts-submitted costs 61.675 real_cost = -206.958 align5 costs 79.057 real_cost = -129.567 align4 costs 63.614 real_cost = -158.418 align3 costs 73.682 real_cost = -193.338 align2 costs 78.178 real_cost = -155.535 align1 costs 61.524 real_cost = -205.012 T0366.try1-opt2.pdb costs 66.752 real_cost = -210.261 model5-scwrl costs 70.417 real_cost = -197.690 model5.ts-submitted costs 70.427 real_cost = -203.140 model4-scwrl costs 68.167 real_cost = -214.034 model4.ts-submitted costs 68.167 real_cost = -210.639 model3-scwrl costs 57.258 real_cost = -193.745 model3.ts-submitted costs 57.258 real_cost = -192.237 model2-scwrl costs 53.680 real_cost = -216.307 model2.ts-submitted costs 53.680 real_cost = -218.612 model1-scwrl costs 60.722 real_cost = -212.706 model1.ts-submitted costs 61.675 real_cost = -206.619 2iwoA costs 47.077 real_cost = -871.200 # command:CPU_time= 369.855 sec, elapsed time= 1053.872 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/T0366'