make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0335' 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/T0335.} ;\ 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.predburial.rdb sed -e s/XXX0000/T0335/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hepA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1173855216 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 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 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.13507 sec, elapsed time= 12.3844 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 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 6.5 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 6.5 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 6.5 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 9.65 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 8.9 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 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 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 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 6.22405 sec, elapsed time= 12.5702 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0335 numbered 1 through 85 Created new target T0335 from T0335.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0335 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 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file predburial.costfcn # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-near-backbone-2spot.hist # created burial cost function nb11 with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 5 alphabets from two-spot-burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_nb11_2k # created predicted BurialPredCostFcn pred_nb11_2k_simple # created predicted BurialPredCostFcn pred_nb11_04 # created predicted BurialPredCostFcn pred_nb11_04_simple # created predicted BurialPredCostFcn pred_nb11_06 # created predicted BurialPredCostFcn pred_nb11_06_simple # reading predictions from T0335.t2k.alpha.rdb # created predicted alpha cost function pred_alpha2k with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # reading predictions from T0335.t04.alpha.rdb # created predicted alpha cost function pred_alpha04 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # reading predictions from T0335.t06.alpha.rdb # created predicted alpha cost function pred_alpha06 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-monomeric-50pc-CB14.hist # created burial cost function cb14 with radius 14 with spots at CB counting only CB # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 28 alphabets from burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_cb14_2k # created predicted BurialPredCostFcn pred_cb14_2k_simple # created predicted BurialPredCostFcn pred_cb14_04 # created predicted BurialPredCostFcn pred_cb14_04_simple # created predicted BurialPredCostFcn pred_cb14_06 # created predicted BurialPredCostFcn pred_cb14_06_simple Unrecognized cost function c_beta for SetCost Unrecognized cost function 5 for SetCost # SetCost created cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 5 * nb11(9.65) + 5 * pred_nb11_2k_simple(9.65) + 5 * pred_nb11_2k(9.65) + 5 * pred_nb11_04_simple(9.65) + 5 * pred_nb11_04(9.65) + 5 * pred_nb11_06_simple(9.65) + 5 * pred_nb11_06(9.65) + 5 * cb14(14) + 5 * pred_cb14_2k_simple(14) + 5 * pred_cb14_2k(14) + 5 * pred_cb14_04_simple(14) + 5 * pred_cb14_04(14) + 5 * pred_cb14_06_simple(14) + 5 * pred_cb14_06(14) + 2 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms ) # command:CPU_time= 8.83866 sec, elapsed time= 18.3975 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -76.1905 # GDT_score(maxd=8,maxw=2.9)= -80.3792 # GDT_score(maxd=8,maxw=3.2)= -76.3311 # GDT_score(maxd=8,maxw=3.5)= -72.5528 # GDT_score(maxd=10,maxw=3.8)= -75.1319 # GDT_score(maxd=10,maxw=4)= -72.8039 # GDT_score(maxd=10,maxw=4.2)= -70.6201 # GDT_score(maxd=12,maxw=4.3)= -74.0872 # GDT_score(maxd=12,maxw=4.5)= -71.9529 # GDT_score(maxd=12,maxw=4.7)= -69.8087 # GDT_score(maxd=14,maxw=5.2)= -68.4014 # GDT_score(maxd=14,maxw=5.5)= -65.5795 # command:# Prefix for output files set to # command:EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 5.228 -8.489 -16.969 1.00 0.00 ATOM 2 CA MET A 1 4.589 -7.444 -16.119 1.00 0.00 ATOM 3 CB MET A 1 3.355 -6.897 -16.805 1.00 0.00 ATOM 4 CG MET A 1 3.683 -6.078 -18.030 1.00 0.00 ATOM 5 SD MET A 1 2.127 -5.199 -18.388 1.00 0.00 ATOM 6 CE MET A 1 2.720 -4.533 -19.992 1.00 0.00 ATOM 7 O MET A 1 4.422 -9.327 -14.645 1.00 0.00 ATOM 8 C MET A 1 4.292 -8.077 -14.790 1.00 0.00 ATOM 9 N ILE A 2 4.081 -7.168 -13.820 1.00 0.00 ATOM 10 CA ILE A 2 3.761 -7.604 -12.437 1.00 0.00 ATOM 11 CB ILE A 2 3.671 -6.362 -11.563 1.00 0.00 ATOM 12 CG1 ILE A 2 3.706 -6.704 -10.061 1.00 0.00 ATOM 13 CG2 ILE A 2 2.332 -5.646 -11.763 1.00 0.00 ATOM 14 CD1 ILE A 2 4.034 -5.399 -9.321 1.00 0.00 ATOM 15 O ILE A 2 1.542 -8.275 -13.194 1.00 0.00 ATOM 16 C ILE A 2 2.473 -8.401 -12.410 1.00 0.00 ATOM 17 N SER A 3 2.476 -9.434 -11.576 1.00 0.00 ATOM 18 CA SER A 3 1.386 -10.392 -11.461 1.00 0.00 ATOM 19 CB SER A 3 1.806 -11.583 -10.599 1.00 0.00 ATOM 20 OG SER A 3 2.001 -11.193 -9.250 1.00 0.00 ATOM 21 O SER A 3 0.278 -8.727 -10.140 1.00 0.00 ATOM 22 C SER A 3 0.167 -9.747 -10.819 1.00 0.00 ATOM 23 N ASN A 4 -1.003 -10.340 -11.058 1.00 0.00 ATOM 24 CA ASN A 4 -2.223 -9.821 -10.489 1.00 0.00 ATOM 25 CB ASN A 4 -3.492 -10.511 -11.046 1.00 0.00 ATOM 26 CG ASN A 4 -3.754 -10.288 -12.511 1.00 0.00 ATOM 27 ND2 ASN A 4 -4.487 -11.190 -13.150 1.00 0.00 ATOM 28 OD1 ASN A 4 -3.292 -9.308 -13.086 1.00 0.00 ATOM 29 O ASN A 4 -2.743 -8.983 -8.323 1.00 0.00 ATOM 30 C ASN A 4 -2.176 -9.870 -8.985 1.00 0.00 ATOM 31 N ALA A 5 -1.564 -10.892 -8.393 1.00 0.00 ATOM 32 CA ALA A 5 -1.524 -10.961 -6.945 1.00 0.00 ATOM 33 CB ALA A 5 -0.905 -12.143 -6.387 1.00 0.00 ATOM 34 O ALA A 5 -1.179 -9.181 -5.368 1.00 0.00 ATOM 35 C ALA A 5 -0.734 -9.801 -6.340 1.00 0.00 ATOM 36 N LYS A 6 0.404 -9.468 -6.915 1.00 0.00 ATOM 37 CA LYS A 6 1.207 -8.365 -6.408 1.00 0.00 ATOM 38 CB LYS A 6 2.559 -8.260 -7.117 1.00 0.00 ATOM 39 CG LYS A 6 3.524 -9.385 -6.781 1.00 0.00 ATOM 40 CD LYS A 6 4.846 -9.215 -7.513 1.00 0.00 ATOM 41 CE LYS A 6 5.798 -10.359 -7.203 1.00 0.00 ATOM 42 NZ LYS A 6 7.089 -10.218 -7.931 1.00 0.00 ATOM 43 O LYS A 6 0.417 -6.232 -5.664 1.00 0.00 ATOM 44 C LYS A 6 0.433 -7.066 -6.568 1.00 0.00 ATOM 45 N ILE A 7 -0.243 -6.893 -7.717 1.00 0.00 ATOM 46 CA ILE A 7 -1.021 -5.686 -7.959 1.00 0.00 ATOM 47 CB ILE A 7 -1.605 -5.686 -9.380 1.00 0.00 ATOM 48 CG1 ILE A 7 -0.455 -5.617 -10.390 1.00 0.00 ATOM 49 CG2 ILE A 7 -2.557 -4.510 -9.558 1.00 0.00 ATOM 50 CD1 ILE A 7 -0.890 -5.624 -11.830 1.00 0.00 ATOM 51 O ILE A 7 -2.506 -4.495 -6.498 1.00 0.00 ATOM 52 C ILE A 7 -2.176 -5.586 -6.967 1.00 0.00 ATOM 53 N ALA A 8 -2.822 -6.710 -6.694 1.00 0.00 ATOM 54 CA ALA A 8 -3.937 -6.708 -5.751 1.00 0.00 ATOM 55 CB ALA A 8 -4.548 -8.093 -5.610 1.00 0.00 ATOM 56 O ALA A 8 -4.204 -5.576 -3.659 1.00 0.00 ATOM 57 C ALA A 8 -3.446 -6.236 -4.388 1.00 0.00 ATOM 58 N ARG A 9 -2.251 -6.633 -3.966 1.00 0.00 ATOM 59 CA ARG A 9 -1.765 -6.173 -2.668 1.00 0.00 ATOM 60 CB ARG A 9 -0.447 -6.880 -2.301 1.00 0.00 ATOM 61 CG ARG A 9 -0.604 -8.273 -1.720 1.00 0.00 ATOM 62 CD ARG A 9 0.460 -8.521 -0.657 1.00 0.00 ATOM 63 NE ARG A 9 1.811 -8.244 -1.142 1.00 0.00 ATOM 64 CZ ARG A 9 2.461 -8.998 -2.022 1.00 0.00 ATOM 65 NH1 ARG A 9 1.886 -10.082 -2.519 1.00 0.00 ATOM 66 NH2 ARG A 9 3.688 -8.670 -2.405 1.00 0.00 ATOM 67 O ARG A 9 -1.896 -3.968 -1.699 1.00 0.00 ATOM 68 C ARG A 9 -1.592 -4.643 -2.685 1.00 0.00 ATOM 69 N ILE A 10 -1.119 -4.102 -3.798 1.00 0.00 ATOM 70 CA ILE A 10 -0.958 -2.648 -3.927 1.00 0.00 ATOM 71 CB ILE A 10 -0.275 -2.271 -5.256 1.00 0.00 ATOM 72 CG1 ILE A 10 1.157 -2.807 -5.292 1.00 0.00 ATOM 73 CG2 ILE A 10 -0.229 -0.760 -5.419 1.00 0.00 ATOM 74 CD1 ILE A 10 2.047 -2.247 -4.204 1.00 0.00 ATOM 75 O ILE A 10 -2.490 -0.938 -3.204 1.00 0.00 ATOM 76 C ILE A 10 -2.336 -1.983 -3.860 1.00 0.00 ATOM 77 N ASN A 11 -3.321 -2.532 -4.576 1.00 0.00 ATOM 78 CA ASN A 11 -4.681 -1.998 -4.537 1.00 0.00 ATOM 79 CB ASN A 11 -5.591 -2.783 -5.483 1.00 0.00 ATOM 80 CG ASN A 11 -6.968 -2.159 -5.617 1.00 0.00 ATOM 81 ND2 ASN A 11 -7.993 -2.896 -5.198 1.00 0.00 ATOM 82 OD1 ASN A 11 -7.106 -1.031 -6.088 1.00 0.00 ATOM 83 O ASN A 11 -5.945 -1.147 -2.673 1.00 0.00 ATOM 84 C ASN A 11 -5.280 -2.084 -3.125 1.00 0.00 ATOM 85 N GLU A 12 -5.043 -3.178 -2.412 1.00 0.00 ATOM 86 CA GLU A 12 -5.524 -3.295 -1.025 1.00 0.00 ATOM 87 CB GLU A 12 -5.191 -4.694 -0.466 1.00 0.00 ATOM 88 CG GLU A 12 -6.091 -5.818 -0.963 1.00 0.00 ATOM 89 CD GLU A 12 -5.637 -7.212 -0.567 1.00 0.00 ATOM 90 OE1 GLU A 12 -4.453 -7.432 -0.256 1.00 0.00 ATOM 91 OE2 GLU A 12 -6.505 -8.116 -0.595 1.00 0.00 ATOM 92 O GLU A 12 -5.568 -1.568 0.633 1.00 0.00 ATOM 93 C GLU A 12 -4.872 -2.212 -0.154 1.00 0.00 ATOM 94 N LEU A 13 -3.570 -2.008 -0.332 1.00 0.00 ATOM 95 CA LEU A 13 -2.866 -0.978 0.431 1.00 0.00 ATOM 96 CB LEU A 13 -1.396 -0.962 0.149 1.00 0.00 ATOM 97 CG LEU A 13 -0.673 -2.280 0.462 1.00 0.00 ATOM 98 CD1 LEU A 13 0.819 -2.171 0.158 1.00 0.00 ATOM 99 CD2 LEU A 13 -0.887 -2.627 1.933 1.00 0.00 ATOM 100 O LEU A 13 -3.798 1.182 0.935 1.00 0.00 ATOM 101 C LEU A 13 -3.423 0.401 0.063 1.00 0.00 ATOM 102 N ALA A 14 -3.556 0.641 -1.237 1.00 0.00 ATOM 103 CA ALA A 14 -4.090 1.908 -1.715 1.00 0.00 ATOM 104 CB ALA A 14 -4.003 2.018 -3.240 1.00 0.00 ATOM 105 O ALA A 14 -5.915 3.196 -0.818 1.00 0.00 ATOM 106 C ALA A 14 -5.517 2.100 -1.262 1.00 0.00 ATOM 107 N ALA A 15 -6.287 1.021 -1.316 1.00 0.00 ATOM 108 CA ALA A 15 -7.661 1.032 -0.874 1.00 0.00 ATOM 109 CB ALA A 15 -8.268 -0.353 -1.021 1.00 0.00 ATOM 110 O ALA A 15 -8.493 2.335 0.958 1.00 0.00 ATOM 111 C ALA A 15 -7.743 1.402 0.590 1.00 0.00 ATOM 112 N LYS A 16 -6.821 0.913 1.410 1.00 0.00 ATOM 113 CA LYS A 16 -6.912 1.247 2.859 1.00 0.00 ATOM 114 CB LYS A 16 -6.167 0.161 3.687 1.00 0.00 ATOM 115 CG LYS A 16 -6.876 -1.169 3.779 1.00 0.00 ATOM 116 CD LYS A 16 -6.061 -2.169 4.600 1.00 0.00 ATOM 117 CE LYS A 16 -7.024 -3.282 5.023 1.00 0.00 ATOM 118 NZ LYS A 16 -6.405 -4.170 6.057 1.00 0.00 ATOM 119 O LYS A 16 -7.079 3.308 4.025 1.00 0.00 ATOM 120 C LYS A 16 -6.449 2.654 3.208 1.00 0.00 ATOM 121 N ALA A 17 -5.368 3.077 2.630 1.00 0.00 ATOM 122 CA ALA A 17 -4.880 4.427 2.852 1.00 0.00 ATOM 123 CB ALA A 17 -3.576 4.637 2.064 1.00 0.00 ATOM 124 O ALA A 17 -6.160 6.434 3.151 1.00 0.00 ATOM 125 C ALA A 17 -5.930 5.457 2.439 1.00 0.00 ATOM 126 N LYS A 18 -6.645 5.141 1.351 1.00 0.00 ATOM 127 CA LYS A 18 -7.705 6.004 0.829 1.00 0.00 ATOM 128 CB LYS A 18 -8.321 5.425 -0.445 1.00 0.00 ATOM 129 CG LYS A 18 -9.405 6.294 -1.062 1.00 0.00 ATOM 130 CD LYS A 18 -9.906 5.707 -2.371 1.00 0.00 ATOM 131 CE LYS A 18 -11.006 6.562 -2.977 1.00 0.00 ATOM 132 NZ LYS A 18 -11.522 5.988 -4.249 1.00 0.00 ATOM 133 O LYS A 18 -9.301 7.321 2.033 1.00 0.00 ATOM 134 C LYS A 18 -8.832 6.201 1.833 1.00 0.00 ATOM 135 N ALA A 19 -9.314 5.119 2.427 1.00 0.00 ATOM 136 CA ALA A 19 -10.410 5.174 3.354 1.00 0.00 ATOM 137 CB ALA A 19 -11.062 3.851 3.486 1.00 0.00 ATOM 138 O ALA A 19 -10.784 5.993 5.590 1.00 0.00 ATOM 139 C ALA A 19 -9.960 5.732 4.701 1.00 0.00 ATOM 140 N GLY A 20 -8.649 5.848 4.864 1.00 0.00 ATOM 141 CA GLY A 20 -8.137 6.344 6.131 1.00 0.00 ATOM 142 O GLY A 20 -8.167 5.720 8.446 1.00 0.00 ATOM 143 C GLY A 20 -8.166 5.329 7.267 1.00 0.00 ATOM 144 N VAL A 21 -8.209 4.043 6.957 1.00 0.00 ATOM 145 CA VAL A 21 -8.247 3.062 8.023 1.00 0.00 ATOM 146 CB VAL A 21 -9.154 1.866 7.676 1.00 0.00 ATOM 147 CG1 VAL A 21 -10.581 2.334 7.425 1.00 0.00 ATOM 148 CG2 VAL A 21 -8.652 1.162 6.426 1.00 0.00 ATOM 149 O VAL A 21 -6.783 1.861 9.516 1.00 0.00 ATOM 150 C VAL A 21 -6.892 2.461 8.418 1.00 0.00 ATOM 151 N ILE A 22 -5.853 2.692 7.617 1.00 0.00 ATOM 152 CA ILE A 22 -4.527 2.177 7.943 1.00 0.00 ATOM 153 CB ILE A 22 -3.599 2.250 6.732 1.00 0.00 ATOM 154 CG1 ILE A 22 -3.509 3.690 6.214 1.00 0.00 ATOM 155 CG2 ILE A 22 -4.117 1.320 5.640 1.00 0.00 ATOM 156 CD1 ILE A 22 -2.449 3.908 5.137 1.00 0.00 ATOM 157 O ILE A 22 -4.261 4.135 9.334 1.00 0.00 ATOM 158 C ILE A 22 -3.925 2.968 9.083 1.00 0.00 ATOM 159 N THR A 23 -2.935 2.374 9.753 1.00 0.00 ATOM 160 CA THR A 23 -2.227 2.991 10.855 1.00 0.00 ATOM 161 CB THR A 23 -1.593 1.968 11.859 1.00 0.00 ATOM 162 CG2 THR A 23 -2.605 1.035 12.365 1.00 0.00 ATOM 163 OG1 THR A 23 -0.548 1.256 11.200 1.00 0.00 ATOM 164 O THR A 23 -0.974 4.024 9.078 1.00 0.00 ATOM 165 C THR A 23 -1.147 3.905 10.301 1.00 0.00 ATOM 166 N GLU A 24 -0.494 4.630 11.197 1.00 0.00 ATOM 167 CA GLU A 24 0.545 5.565 10.807 1.00 0.00 ATOM 168 CB GLU A 24 1.075 6.313 12.032 1.00 0.00 ATOM 169 CG GLU A 24 0.079 7.280 12.650 1.00 0.00 ATOM 170 CD GLU A 24 0.583 7.895 13.940 1.00 0.00 ATOM 171 OE1 GLU A 24 1.686 7.512 14.387 1.00 0.00 ATOM 172 OE2 GLU A 24 -0.120 8.759 14.501 1.00 0.00 ATOM 173 O GLU A 24 2.084 5.292 9.021 1.00 0.00 ATOM 174 C GLU A 24 1.726 4.887 10.126 1.00 0.00 ATOM 175 N GLU A 25 1.993 3.804 10.783 1.00 0.00 ATOM 176 CA GLU A 25 3.001 2.880 10.278 1.00 0.00 ATOM 177 CB GLU A 25 3.330 1.828 11.326 1.00 0.00 ATOM 178 CG GLU A 25 3.880 2.416 12.623 1.00 0.00 ATOM 179 CD GLU A 25 5.225 3.104 12.444 1.00 0.00 ATOM 180 OE1 GLU A 25 5.682 3.775 13.396 1.00 0.00 ATOM 181 OE2 GLU A 25 5.830 2.972 11.357 1.00 0.00 ATOM 182 O GLU A 25 3.302 2.069 8.054 1.00 0.00 ATOM 183 C GLU A 25 2.535 2.206 8.993 1.00 0.00 ATOM 184 N GLU A 26 1.262 1.890 8.944 1.00 0.00 ATOM 185 CA GLU A 26 0.730 1.199 7.774 1.00 0.00 ATOM 186 CB GLU A 26 -0.651 0.583 8.131 1.00 0.00 ATOM 187 CG GLU A 26 -1.264 -0.312 7.076 1.00 0.00 ATOM 188 CD GLU A 26 -2.576 -0.929 7.525 1.00 0.00 ATOM 189 OE1 GLU A 26 -2.924 -0.811 8.718 1.00 0.00 ATOM 190 OE2 GLU A 26 -3.259 -1.531 6.671 1.00 0.00 ATOM 191 O GLU A 26 0.990 1.673 5.430 1.00 0.00 ATOM 192 C GLU A 26 0.749 2.120 6.556 1.00 0.00 ATOM 193 N LYS A 27 0.480 3.405 6.781 1.00 0.00 ATOM 194 CA LYS A 27 0.478 4.384 5.698 1.00 0.00 ATOM 195 CB LYS A 27 0.169 5.761 6.146 1.00 0.00 ATOM 196 CG LYS A 27 -1.096 5.896 6.962 1.00 0.00 ATOM 197 CD LYS A 27 -1.581 7.343 7.093 1.00 0.00 ATOM 198 CE LYS A 27 -3.097 7.480 7.105 1.00 0.00 ATOM 199 NZ LYS A 27 -3.621 8.111 8.329 1.00 0.00 ATOM 200 O LYS A 27 2.040 4.527 3.867 1.00 0.00 ATOM 201 C LYS A 27 1.881 4.485 5.099 1.00 0.00 ATOM 202 N ALA A 28 2.887 4.452 5.967 1.00 0.00 ATOM 203 CA ALA A 28 4.291 4.505 5.518 1.00 0.00 ATOM 204 CB ALA A 28 5.211 4.613 6.726 1.00 0.00 ATOM 205 O ALA A 28 5.248 3.358 3.647 1.00 0.00 ATOM 206 C ALA A 28 4.628 3.260 4.704 1.00 0.00 ATOM 207 N GLU A 29 4.238 2.091 5.206 1.00 0.00 ATOM 208 CA GLU A 29 4.503 0.833 4.519 1.00 0.00 ATOM 209 CB GLU A 29 4.118 -0.360 5.302 1.00 0.00 ATOM 210 CG GLU A 29 4.956 -0.504 6.572 1.00 0.00 ATOM 211 CD GLU A 29 6.445 -0.472 6.257 1.00 0.00 ATOM 212 OE1 GLU A 29 6.814 -1.320 5.410 1.00 0.00 ATOM 213 OE2 GLU A 29 7.174 0.382 6.790 1.00 0.00 ATOM 214 O GLU A 29 4.363 0.419 2.164 1.00 0.00 ATOM 215 C GLU A 29 3.785 0.799 3.179 1.00 0.00 ATOM 216 N GLN A 30 2.538 1.262 3.168 1.00 0.00 ATOM 217 CA GLN A 30 1.761 1.289 1.942 1.00 0.00 ATOM 218 CB GLN A 30 0.289 1.582 2.252 1.00 0.00 ATOM 219 CG GLN A 30 -0.357 0.473 3.093 1.00 0.00 ATOM 220 CD GLN A 30 -1.861 0.625 3.248 1.00 0.00 ATOM 221 OE1 GLN A 30 -2.412 1.718 3.086 1.00 0.00 ATOM 222 NE2 GLN A 30 -2.533 -0.472 3.582 1.00 0.00 ATOM 223 O GLN A 30 2.337 2.071 -0.276 1.00 0.00 ATOM 224 C GLN A 30 2.325 2.307 0.946 1.00 0.00 ATOM 225 N GLN A 31 2.815 3.448 1.447 1.00 0.00 ATOM 226 CA GLN A 31 3.395 4.468 0.579 1.00 0.00 ATOM 227 CB GLN A 31 3.870 5.674 1.392 1.00 0.00 ATOM 228 CG GLN A 31 4.491 6.782 0.555 1.00 0.00 ATOM 229 CD GLN A 31 4.914 7.976 1.387 1.00 0.00 ATOM 230 OE1 GLN A 31 4.718 7.996 2.603 1.00 0.00 ATOM 231 NE2 GLN A 31 5.497 8.974 0.736 1.00 0.00 ATOM 232 O GLN A 31 4.838 4.113 -1.330 1.00 0.00 ATOM 233 C GLN A 31 4.645 3.905 -0.125 1.00 0.00 ATOM 234 N LYS A 32 5.510 3.310 0.662 1.00 0.00 ATOM 235 CA LYS A 32 6.725 2.712 0.113 1.00 0.00 ATOM 236 CB LYS A 32 7.604 2.167 1.220 1.00 0.00 ATOM 237 CG LYS A 32 8.097 3.224 2.180 1.00 0.00 ATOM 238 CD LYS A 32 8.902 2.585 3.290 1.00 0.00 ATOM 239 CE LYS A 32 9.226 3.583 4.385 1.00 0.00 ATOM 240 NZ LYS A 32 10.032 2.951 5.466 1.00 0.00 ATOM 241 O LYS A 32 6.973 1.507 -1.970 1.00 0.00 ATOM 242 C LYS A 32 6.350 1.626 -0.914 1.00 0.00 ATOM 243 N LEU A 33 5.273 0.865 -0.612 1.00 0.00 ATOM 244 CA LEU A 33 4.810 -0.133 -1.548 1.00 0.00 ATOM 245 CB LEU A 33 3.712 -1.029 -0.931 1.00 0.00 ATOM 246 CG LEU A 33 4.259 -1.999 0.130 1.00 0.00 ATOM 247 CD1 LEU A 33 3.126 -2.478 0.991 1.00 0.00 ATOM 248 CD2 LEU A 33 5.061 -3.197 -0.476 1.00 0.00 ATOM 249 O LEU A 33 4.689 0.069 -3.936 1.00 0.00 ATOM 250 C LEU A 33 4.331 0.513 -2.845 1.00 0.00 ATOM 251 N ARG A 34 3.637 1.636 -2.731 1.00 0.00 ATOM 252 CA ARG A 34 3.137 2.321 -3.914 1.00 0.00 ATOM 253 CB ARG A 34 2.266 3.513 -3.515 1.00 0.00 ATOM 254 CG ARG A 34 0.919 3.130 -2.924 1.00 0.00 ATOM 255 CD ARG A 34 0.140 4.358 -2.485 1.00 0.00 ATOM 256 NE ARG A 34 -1.147 4.007 -1.888 1.00 0.00 ATOM 257 CZ ARG A 34 -1.989 4.885 -1.356 1.00 0.00 ATOM 258 NH1 ARG A 34 -3.136 4.472 -0.837 1.00 0.00 ATOM 259 NH2 ARG A 34 -1.681 6.175 -1.346 1.00 0.00 ATOM 260 O ARG A 34 4.181 2.814 -6.014 1.00 0.00 ATOM 261 C ARG A 34 4.261 2.869 -4.792 1.00 0.00 ATOM 262 N GLN A 35 5.278 3.451 -4.169 1.00 0.00 ATOM 263 CA GLN A 35 6.391 4.017 -4.921 1.00 0.00 ATOM 264 CB GLN A 35 7.403 4.664 -3.974 1.00 0.00 ATOM 265 CG GLN A 35 6.918 5.951 -3.327 1.00 0.00 ATOM 266 CD GLN A 35 7.901 6.501 -2.312 1.00 0.00 ATOM 267 OE1 GLN A 35 8.918 5.872 -2.017 1.00 0.00 ATOM 268 NE2 GLN A 35 7.600 7.677 -1.776 1.00 0.00 ATOM 269 O GLN A 35 7.331 3.118 -6.940 1.00 0.00 ATOM 270 C GLN A 35 7.095 2.942 -5.745 1.00 0.00 ATOM 271 N GLU A 36 7.434 1.822 -5.118 1.00 0.00 ATOM 272 CA GLU A 36 8.116 0.756 -5.845 1.00 0.00 ATOM 273 CB GLU A 36 8.495 -0.377 -4.890 1.00 0.00 ATOM 274 CG GLU A 36 9.577 -0.008 -3.886 1.00 0.00 ATOM 275 CD GLU A 36 9.841 -1.110 -2.883 1.00 0.00 ATOM 276 OE1 GLU A 36 9.130 -2.137 -2.926 1.00 0.00 ATOM 277 OE2 GLU A 36 10.760 -0.950 -2.051 1.00 0.00 ATOM 278 O GLU A 36 7.707 -0.102 -8.029 1.00 0.00 ATOM 279 C GLU A 36 7.230 0.195 -6.941 1.00 0.00 ATOM 280 N TYR A 37 5.960 0.022 -6.635 1.00 0.00 ATOM 281 CA TYR A 37 4.997 -0.491 -7.612 1.00 0.00 ATOM 282 CB TYR A 37 3.612 -0.574 -7.015 1.00 0.00 ATOM 283 CG TYR A 37 2.555 -1.008 -8.000 1.00 0.00 ATOM 284 CD1 TYR A 37 2.547 -2.302 -8.517 1.00 0.00 ATOM 285 CD2 TYR A 37 1.576 -0.118 -8.437 1.00 0.00 ATOM 286 CE1 TYR A 37 1.590 -2.700 -9.448 1.00 0.00 ATOM 287 CE2 TYR A 37 0.615 -0.504 -9.366 1.00 0.00 ATOM 288 CZ TYR A 37 0.629 -1.796 -9.869 1.00 0.00 ATOM 289 OH TYR A 37 -0.312 -2.182 -10.798 1.00 0.00 ATOM 290 O TYR A 37 4.889 -0.021 -9.972 1.00 0.00 ATOM 291 C TYR A 37 4.899 0.426 -8.825 1.00 0.00 ATOM 292 N LEU A 38 4.868 1.739 -8.584 1.00 0.00 ATOM 293 CA LEU A 38 4.795 2.706 -9.677 1.00 0.00 ATOM 294 CB LEU A 38 4.701 4.132 -9.131 1.00 0.00 ATOM 295 CG LEU A 38 4.647 5.255 -10.167 1.00 0.00 ATOM 296 CD1 LEU A 38 3.412 5.115 -11.048 1.00 0.00 ATOM 297 CD2 LEU A 38 4.593 6.614 -9.490 1.00 0.00 ATOM 298 O LEU A 38 5.922 2.399 -11.781 1.00 0.00 ATOM 299 C LEU A 38 6.045 2.589 -10.562 1.00 0.00 ATOM 300 N LYS A 39 7.192 2.619 -9.941 1.00 0.00 ATOM 301 CA LYS A 39 8.450 2.482 -10.710 1.00 0.00 ATOM 302 CB LYS A 39 9.664 2.474 -9.820 1.00 0.00 ATOM 303 CG LYS A 39 11.012 2.442 -10.585 1.00 0.00 ATOM 304 CD LYS A 39 12.136 2.884 -9.637 1.00 0.00 ATOM 305 CE LYS A 39 13.482 2.994 -10.316 1.00 0.00 ATOM 306 NZ LYS A 39 14.579 2.871 -9.310 1.00 0.00 ATOM 307 O LYS A 39 8.840 1.097 -12.634 1.00 0.00 ATOM 308 C LYS A 39 8.546 1.144 -11.442 1.00 0.00 ATOM 309 N GLY A 40 8.221 0.061 -10.740 1.00 0.00 ATOM 310 CA GLY A 40 8.287 -1.257 -11.334 1.00 0.00 ATOM 311 O GLY A 40 7.547 -2.140 -13.463 1.00 0.00 ATOM 312 C GLY A 40 7.311 -1.475 -12.443 1.00 0.00 ATOM 313 N PHE A 41 6.085 -0.892 -12.299 1.00 0.00 ATOM 314 CA PHE A 41 5.058 -1.000 -13.310 1.00 0.00 ATOM 315 CB PHE A 41 3.776 -0.308 -12.844 1.00 0.00 ATOM 316 CG PHE A 41 2.659 -0.361 -13.850 1.00 0.00 ATOM 317 CD1 PHE A 41 1.893 -1.503 -13.994 1.00 0.00 ATOM 318 CD2 PHE A 41 2.378 0.733 -14.650 1.00 0.00 ATOM 319 CE1 PHE A 41 0.868 -1.552 -14.920 1.00 0.00 ATOM 320 CE2 PHE A 41 1.353 0.684 -15.574 1.00 0.00 ATOM 321 CZ PHE A 41 0.600 -0.451 -15.713 1.00 0.00 ATOM 322 O PHE A 41 5.389 -0.908 -15.690 1.00 0.00 ATOM 323 C PHE A 41 5.512 -0.334 -14.606 1.00 0.00 ATOM 324 N ARG A 42 6.017 0.877 -14.471 1.00 0.00 ATOM 325 CA ARG A 42 6.503 1.625 -15.624 1.00 0.00 ATOM 326 CB ARG A 42 7.099 2.937 -15.236 1.00 0.00 ATOM 327 CG ARG A 42 7.319 3.895 -16.353 1.00 0.00 ATOM 328 CD ARG A 42 7.792 5.218 -15.778 1.00 0.00 ATOM 329 NE ARG A 42 6.872 5.761 -14.762 1.00 0.00 ATOM 330 CZ ARG A 42 5.819 6.490 -15.067 1.00 0.00 ATOM 331 NH1 ARG A 42 5.577 6.755 -16.333 1.00 0.00 ATOM 332 NH2 ARG A 42 4.969 6.910 -14.109 1.00 0.00 ATOM 333 O ARG A 42 7.619 0.706 -17.558 1.00 0.00 ATOM 334 C ARG A 42 7.605 0.834 -16.333 1.00 0.00 ATOM 335 N SER A 43 8.518 0.304 -15.536 1.00 0.00 ATOM 336 CA SER A 43 9.647 -0.473 -16.015 1.00 0.00 ATOM 337 CB SER A 43 10.516 -0.937 -14.846 1.00 0.00 ATOM 338 OG SER A 43 11.153 0.162 -14.218 1.00 0.00 ATOM 339 O SER A 43 9.630 -1.928 -17.918 1.00 0.00 ATOM 340 C SER A 43 9.231 -1.736 -16.763 1.00 0.00 ATOM 341 N SER A 44 8.324 -2.512 -16.185 1.00 0.00 ATOM 342 CA SER A 44 7.888 -3.751 -16.820 1.00 0.00 ATOM 343 CB SER A 44 7.132 -4.624 -15.769 1.00 0.00 ATOM 344 OG SER A 44 5.925 -4.056 -15.384 1.00 0.00 ATOM 345 O SER A 44 7.053 -4.316 -19.020 1.00 0.00 ATOM 346 C SER A 44 7.024 -3.523 -18.072 1.00 0.00 ATOM 347 N MET A 45 6.302 -2.440 -18.061 1.00 0.00 ATOM 348 CA MET A 45 5.469 -2.099 -19.212 1.00 0.00 ATOM 349 CB MET A 45 4.568 -0.893 -18.939 1.00 0.00 ATOM 350 CG MET A 45 3.918 -0.326 -20.229 1.00 0.00 ATOM 351 SD MET A 45 2.966 1.169 -19.914 1.00 0.00 ATOM 352 CE MET A 45 1.526 0.480 -19.145 1.00 0.00 ATOM 353 O MET A 45 6.179 -2.335 -21.482 1.00 0.00 ATOM 354 C MET A 45 6.392 -1.812 -20.394 1.00 0.00 ATOM 355 N LYS A 46 7.403 -0.970 -20.186 1.00 0.00 ATOM 356 CA LYS A 46 8.351 -0.620 -21.247 1.00 0.00 ATOM 357 CB LYS A 46 9.368 0.407 -20.745 1.00 0.00 ATOM 358 CG LYS A 46 8.791 1.795 -20.526 1.00 0.00 ATOM 359 CD LYS A 46 9.854 2.762 -20.027 1.00 0.00 ATOM 360 CE LYS A 46 9.271 4.144 -19.786 1.00 0.00 ATOM 361 NZ LYS A 46 10.295 5.095 -19.266 1.00 0.00 ATOM 362 O LYS A 46 9.299 -2.113 -22.881 1.00 0.00 ATOM 363 C LYS A 46 9.107 -1.885 -21.687 1.00 0.00 ATOM 364 N ASN A 47 9.438 -2.751 -20.734 1.00 0.00 ATOM 365 CA ASN A 47 10.153 -3.991 -21.059 1.00 0.00 ATOM 366 CB ASN A 47 10.506 -4.753 -19.780 1.00 0.00 ATOM 367 CG ASN A 47 11.627 -4.096 -19.000 1.00 0.00 ATOM 368 ND2 ASN A 47 11.732 -4.436 -17.720 1.00 0.00 ATOM 369 OD1 ASN A 47 12.386 -3.292 -19.542 1.00 0.00 ATOM 370 O ASN A 47 9.886 -5.508 -22.905 1.00 0.00 ATOM 371 C ASN A 47 9.359 -4.968 -21.928 1.00 0.00 ATOM 372 N THR A 48 8.110 -5.228 -21.542 1.00 0.00 ATOM 373 CA THR A 48 7.251 -6.157 -22.275 1.00 0.00 ATOM 374 CB THR A 48 6.343 -6.951 -21.285 1.00 0.00 ATOM 375 CG2 THR A 48 7.175 -7.774 -20.295 1.00 0.00 ATOM 376 OG1 THR A 48 5.543 -6.011 -20.558 1.00 0.00 ATOM 377 O THR A 48 5.562 -6.138 -23.983 1.00 0.00 ATOM 378 C THR A 48 6.420 -5.489 -23.336 1.00 0.00 ATOM 379 N LEU A 49 6.646 -4.177 -23.582 1.00 0.00 ATOM 380 CA LEU A 49 5.821 -3.503 -24.615 1.00 0.00 ATOM 381 CB LEU A 49 6.223 -2.121 -24.959 1.00 0.00 ATOM 382 CG LEU A 49 5.823 -1.068 -23.914 1.00 0.00 ATOM 383 CD1 LEU A 49 6.621 0.210 -24.124 1.00 0.00 ATOM 384 CD2 LEU A 49 4.344 -0.738 -23.989 1.00 0.00 ATOM 385 O LEU A 49 4.777 -4.478 -26.547 1.00 0.00 ATOM 386 C LEU A 49 5.833 -4.222 -25.963 1.00 0.00 ATOM 387 N LYS A 50 7.030 -4.515 -26.470 1.00 0.00 ATOM 388 CA LYS A 50 7.151 -5.194 -27.749 1.00 0.00 ATOM 389 CB LYS A 50 8.598 -5.410 -28.128 1.00 0.00 ATOM 390 CG LYS A 50 9.309 -4.120 -28.480 1.00 0.00 ATOM 391 CD LYS A 50 10.759 -4.364 -28.858 1.00 0.00 ATOM 392 CE LYS A 50 11.464 -3.062 -29.181 1.00 0.00 ATOM 393 NZ LYS A 50 12.891 -3.291 -29.529 1.00 0.00 ATOM 394 O LYS A 50 5.816 -6.976 -28.629 1.00 0.00 ATOM 395 C LYS A 50 6.545 -6.579 -27.714 1.00 0.00 ATOM 396 N SER A 51 6.925 -7.343 -26.702 1.00 0.00 ATOM 397 CA SER A 51 6.435 -8.695 -26.503 1.00 0.00 ATOM 398 CB SER A 51 7.448 -9.703 -27.078 1.00 0.00 ATOM 399 OG SER A 51 7.088 -11.014 -26.712 1.00 0.00 ATOM 400 O SER A 51 6.966 -8.811 -24.166 1.00 0.00 ATOM 401 C SER A 51 6.086 -8.711 -25.020 1.00 0.00 ATOM 402 N VAL A 52 4.757 -8.530 -24.627 1.00 0.00 ATOM 403 CA VAL A 52 4.340 -8.446 -23.234 1.00 0.00 ATOM 404 CB VAL A 52 3.259 -7.360 -23.004 1.00 0.00 ATOM 405 CG1 VAL A 52 2.899 -7.279 -21.516 1.00 0.00 ATOM 406 CG2 VAL A 52 3.761 -6.008 -23.486 1.00 0.00 ATOM 407 O VAL A 52 2.551 -10.002 -22.957 1.00 0.00 ATOM 408 C VAL A 52 3.717 -9.716 -22.654 1.00 0.00 ATOM 409 N LYS A 53 4.398 -10.210 -21.688 1.00 0.00 ATOM 410 CA LYS A 53 3.891 -11.381 -20.993 1.00 0.00 ATOM 411 CB LYS A 53 4.954 -12.548 -21.069 1.00 0.00 ATOM 412 CG LYS A 53 4.387 -13.878 -20.591 1.00 0.00 ATOM 413 CD LYS A 53 5.128 -15.055 -21.095 1.00 0.00 ATOM 414 CE LYS A 53 6.404 -15.109 -20.390 1.00 0.00 ATOM 415 NZ LYS A 53 6.888 -16.628 -20.156 1.00 0.00 ATOM 416 O LYS A 53 4.446 -10.572 -18.837 1.00 0.00 ATOM 417 C LYS A 53 3.567 -11.018 -19.566 1.00 0.00 ATOM 418 N ILE A 54 2.290 -11.105 -19.206 1.00 0.00 ATOM 419 CA ILE A 54 1.866 -10.776 -17.856 1.00 0.00 ATOM 420 CB ILE A 54 0.778 -9.708 -17.873 1.00 0.00 ATOM 421 CG1 ILE A 54 1.279 -8.492 -18.671 1.00 0.00 ATOM 422 CG2 ILE A 54 0.413 -9.329 -16.436 1.00 0.00 ATOM 423 CD1 ILE A 54 0.202 -7.491 -19.001 1.00 0.00 ATOM 424 O ILE A 54 0.166 -12.436 -17.508 1.00 0.00 ATOM 425 C ILE A 54 1.281 -12.026 -17.200 1.00 0.00 ATOM 426 N ILE A 55 1.865 -12.499 -16.211 1.00 0.00 ATOM 427 CA ILE A 55 1.402 -13.740 -15.592 1.00 0.00 ATOM 428 CB ILE A 55 2.458 -14.884 -15.738 1.00 0.00 ATOM 429 CG1 ILE A 55 2.975 -14.962 -17.201 1.00 0.00 ATOM 430 CG2 ILE A 55 1.882 -16.208 -15.261 1.00 0.00 ATOM 431 CD1 ILE A 55 4.110 -16.003 -17.372 1.00 0.00 ATOM 432 O ILE A 55 1.936 -12.804 -13.460 1.00 0.00 ATOM 433 C ILE A 55 1.103 -13.403 -14.141 1.00 0.00 ATOM 434 N ASP A 56 -0.140 -13.584 -13.724 1.00 0.00 ATOM 435 CA ASP A 56 -0.534 -13.303 -12.352 1.00 0.00 ATOM 436 CB ASP A 56 -2.048 -13.019 -12.254 1.00 0.00 ATOM 437 CG ASP A 56 -2.911 -14.177 -12.723 1.00 0.00 ATOM 438 OD1 ASP A 56 -2.458 -15.328 -12.666 1.00 0.00 ATOM 439 OD2 ASP A 56 -4.063 -13.924 -13.132 1.00 0.00 ATOM 440 O ASP A 56 0.305 -15.509 -11.930 1.00 0.00 ATOM 441 C ASP A 56 -0.139 -14.467 -11.447 1.00 0.00 ATOM 442 N PRO A 57 -0.201 -14.407 -10.157 1.00 0.00 ATOM 443 CA PRO A 57 0.156 -15.514 -9.265 1.00 0.00 ATOM 444 CB PRO A 57 -0.158 -15.016 -7.894 1.00 0.00 ATOM 445 CG PRO A 57 -1.338 -14.187 -8.105 1.00 0.00 ATOM 446 CD PRO A 57 -1.069 -13.439 -9.429 1.00 0.00 ATOM 447 O PRO A 57 -0.348 -17.848 -9.064 1.00 0.00 ATOM 448 C PRO A 57 -0.717 -16.745 -9.467 1.00 0.00 ATOM 449 N GLU A 58 -1.950 -16.590 -10.109 1.00 0.00 ATOM 450 CA GLU A 58 -2.869 -17.696 -10.362 1.00 0.00 ATOM 451 CB GLU A 58 -4.217 -17.159 -10.826 1.00 0.00 ATOM 452 CG GLU A 58 -5.059 -16.542 -9.702 1.00 0.00 ATOM 453 CD GLU A 58 -5.336 -17.481 -8.568 1.00 0.00 ATOM 454 OE1 GLU A 58 -5.685 -18.640 -8.850 1.00 0.00 ATOM 455 OE2 GLU A 58 -5.223 -17.014 -7.381 1.00 0.00 ATOM 456 O GLU A 58 -3.023 -19.473 -11.992 1.00 0.00 ATOM 457 C GLU A 58 -2.427 -18.458 -11.603 1.00 0.00 ATOM 458 N GLY A 59 -1.304 -18.021 -12.186 1.00 0.00 ATOM 459 CA GLY A 59 -0.808 -18.774 -13.306 1.00 0.00 ATOM 460 O GLY A 59 -1.194 -18.737 -15.642 1.00 0.00 ATOM 461 C GLY A 59 -1.446 -18.223 -14.560 1.00 0.00 ATOM 462 N ASN A 60 -2.411 -17.174 -14.438 1.00 0.00 ATOM 463 CA ASN A 60 -3.147 -16.658 -15.576 1.00 0.00 ATOM 464 CB ASN A 60 -4.522 -16.160 -15.108 1.00 0.00 ATOM 465 CG ASN A 60 -5.357 -17.265 -14.468 1.00 0.00 ATOM 466 ND2 ASN A 60 -5.892 -16.997 -13.283 1.00 0.00 ATOM 467 OD1 ASN A 60 -5.514 -18.346 -15.038 1.00 0.00 ATOM 468 O ASN A 60 -1.655 -14.797 -15.836 1.00 0.00 ATOM 469 C ASN A 60 -2.393 -15.612 -16.393 1.00 0.00 ATOM 470 N ASP A 61 -2.561 -15.654 -17.713 1.00 0.00 ATOM 471 CA ASP A 61 -1.889 -14.717 -18.609 1.00 0.00 ATOM 472 CB ASP A 61 -1.440 -15.418 -19.890 1.00 0.00 ATOM 473 CG ASP A 61 -0.289 -16.377 -19.656 1.00 0.00 ATOM 474 OD1 ASP A 61 0.326 -16.317 -18.569 1.00 0.00 ATOM 475 OD2 ASP A 61 -0.001 -17.192 -20.557 1.00 0.00 ATOM 476 O ASP A 61 -3.929 -13.833 -19.511 1.00 0.00 ATOM 477 C ASP A 61 -2.815 -13.587 -19.044 1.00 0.00 ATOM 478 N VAL A 62 -2.369 -12.350 -18.850 1.00 0.00 ATOM 479 CA VAL A 62 -3.161 -11.181 -19.223 1.00 0.00 ATOM 480 CB VAL A 62 -3.678 -10.459 -17.978 1.00 0.00 ATOM 481 CG1 VAL A 62 -4.437 -11.423 -17.056 1.00 0.00 ATOM 482 CG2 VAL A 62 -2.495 -9.841 -17.247 1.00 0.00 ATOM 483 O VAL A 62 -1.118 -10.317 -20.102 1.00 0.00 ATOM 484 C VAL A 62 -2.344 -10.351 -20.204 1.00 0.00 ATOM 485 N THR A 63 -3.045 -9.704 -21.146 1.00 0.00 ATOM 486 CA THR A 63 -2.335 -8.885 -22.127 1.00 0.00 ATOM 487 CB THR A 63 -3.209 -8.649 -23.381 1.00 0.00 ATOM 488 CG2 THR A 63 -3.736 -9.931 -23.984 1.00 0.00 ATOM 489 OG1 THR A 63 -4.346 -7.823 -23.006 1.00 0.00 ATOM 490 O THR A 63 -2.624 -7.164 -20.467 1.00 0.00 ATOM 491 C THR A 63 -2.053 -7.526 -21.502 1.00 0.00 ATOM 492 N PRO A 64 -1.029 -6.862 -22.037 1.00 0.00 ATOM 493 CA PRO A 64 -0.615 -5.550 -21.571 1.00 0.00 ATOM 494 CB PRO A 64 0.462 -5.125 -22.574 1.00 0.00 ATOM 495 CG PRO A 64 0.207 -5.975 -23.776 1.00 0.00 ATOM 496 CD PRO A 64 -0.306 -7.288 -23.256 1.00 0.00 ATOM 497 O PRO A 64 -2.079 -3.866 -20.664 1.00 0.00 ATOM 498 C PRO A 64 -1.823 -4.605 -21.611 1.00 0.00 ATOM 499 N GLU A 65 -2.672 -4.781 -22.612 1.00 0.00 ATOM 500 CA GLU A 65 -3.858 -3.961 -22.769 1.00 0.00 ATOM 501 CB GLU A 65 -4.547 -4.202 -24.079 1.00 0.00 ATOM 502 CG GLU A 65 -3.777 -3.631 -25.254 1.00 0.00 ATOM 503 CD GLU A 65 -3.453 -2.163 -25.063 1.00 0.00 ATOM 504 OE1 GLU A 65 -4.399 -1.364 -24.879 1.00 0.00 ATOM 505 OE2 GLU A 65 -2.258 -1.806 -25.095 1.00 0.00 ATOM 506 O GLU A 65 -5.428 -3.279 -21.093 1.00 0.00 ATOM 507 C GLU A 65 -4.911 -4.217 -21.697 1.00 0.00 ATOM 508 N LYS A 66 -5.228 -5.475 -21.486 1.00 0.00 ATOM 509 CA LYS A 66 -6.231 -5.834 -20.494 1.00 0.00 ATOM 510 CB LYS A 66 -6.585 -7.330 -20.618 1.00 0.00 ATOM 511 CG LYS A 66 -7.393 -7.663 -21.860 1.00 0.00 ATOM 512 CD LYS A 66 -7.385 -9.144 -22.184 1.00 0.00 ATOM 513 CE LYS A 66 -8.240 -9.968 -21.239 1.00 0.00 ATOM 514 NZ LYS A 66 -7.998 -11.430 -21.421 1.00 0.00 ATOM 515 O LYS A 66 -6.602 -4.978 -18.281 1.00 0.00 ATOM 516 C LYS A 66 -5.794 -5.432 -19.091 1.00 0.00 ATOM 517 N LEU A 67 -4.505 -5.588 -18.800 1.00 0.00 ATOM 518 CA LEU A 67 -3.955 -5.225 -17.502 1.00 0.00 ATOM 519 CB LEU A 67 -2.509 -5.790 -17.380 1.00 0.00 ATOM 520 CG LEU A 67 -1.820 -5.439 -16.054 1.00 0.00 ATOM 521 CD1 LEU A 67 -2.543 -6.157 -14.917 1.00 0.00 ATOM 522 CD2 LEU A 67 -0.353 -5.846 -16.087 1.00 0.00 ATOM 523 O LEU A 67 -4.326 -3.229 -16.214 1.00 0.00 ATOM 524 C LEU A 67 -4.086 -3.713 -17.321 1.00 0.00 ATOM 525 N LYS A 68 -3.914 -2.977 -18.415 1.00 0.00 ATOM 526 CA LYS A 68 -4.023 -1.524 -18.353 1.00 0.00 ATOM 527 CB LYS A 68 -3.739 -0.902 -19.723 1.00 0.00 ATOM 528 CG LYS A 68 -3.772 0.618 -19.737 1.00 0.00 ATOM 529 CD LYS A 68 -3.405 1.166 -21.103 1.00 0.00 ATOM 530 CE LYS A 68 -3.468 2.685 -21.122 1.00 0.00 ATOM 531 NZ LYS A 68 -3.126 3.237 -22.463 1.00 0.00 ATOM 532 O LYS A 68 -5.588 -0.136 -17.109 1.00 0.00 ATOM 533 C LYS A 68 -5.425 -1.049 -17.940 1.00 0.00 ATOM 534 N ARG A 69 -6.450 -1.684 -18.507 1.00 0.00 ATOM 535 CA ARG A 69 -7.828 -1.357 -18.187 1.00 0.00 ATOM 536 CB ARG A 69 -8.832 -2.224 -18.815 1.00 0.00 ATOM 537 CG ARG A 69 -9.094 -1.800 -20.267 1.00 0.00 ATOM 538 CD ARG A 69 -10.358 -2.441 -20.843 1.00 0.00 ATOM 539 NE ARG A 69 -10.206 -3.865 -21.134 1.00 0.00 ATOM 540 CZ ARG A 69 -9.488 -4.352 -22.142 1.00 0.00 ATOM 541 NH1 ARG A 69 -8.851 -3.533 -22.966 1.00 0.00 ATOM 542 NH2 ARG A 69 -9.413 -5.664 -22.331 1.00 0.00 ATOM 543 O ARG A 69 -8.655 -0.721 -16.020 1.00 0.00 ATOM 544 C ARG A 69 -8.118 -1.594 -16.705 1.00 0.00 ATOM 545 N GLU A 70 -7.706 -2.753 -16.199 1.00 0.00 ATOM 546 CA GLU A 70 -7.933 -3.086 -14.795 1.00 0.00 ATOM 547 CB GLU A 70 -7.555 -4.543 -14.526 1.00 0.00 ATOM 548 CG GLU A 70 -8.480 -5.558 -15.177 1.00 0.00 ATOM 549 CD GLU A 70 -8.002 -6.985 -14.992 1.00 0.00 ATOM 550 OE1 GLU A 70 -6.911 -7.175 -14.415 1.00 0.00 ATOM 551 OE2 GLU A 70 -8.721 -7.912 -15.422 1.00 0.00 ATOM 552 O GLU A 70 -7.580 -1.835 -12.775 1.00 0.00 ATOM 553 C GLU A 70 -7.112 -2.208 -13.853 1.00 0.00 ATOM 554 N GLN A 71 -5.905 -1.840 -14.275 1.00 0.00 ATOM 555 CA GLN A 71 -5.064 -0.972 -13.451 1.00 0.00 ATOM 556 CB GLN A 71 -3.689 -0.756 -14.074 1.00 0.00 ATOM 557 CG GLN A 71 -2.732 -0.095 -13.133 1.00 0.00 ATOM 558 CD GLN A 71 -1.840 0.901 -13.778 1.00 0.00 ATOM 559 OE1 GLN A 71 -2.227 1.550 -14.762 1.00 0.00 ATOM 560 NE2 GLN A 71 -0.655 1.084 -13.216 1.00 0.00 ATOM 561 O GLN A 71 -5.786 0.919 -12.159 1.00 0.00 ATOM 562 C GLN A 71 -5.768 0.366 -13.257 1.00 0.00 ATOM 563 N ARG A 72 -6.332 0.892 -14.336 1.00 0.00 ATOM 564 CA ARG A 72 -7.039 2.161 -14.263 1.00 0.00 ATOM 565 CB ARG A 72 -7.401 2.629 -15.675 1.00 0.00 ATOM 566 CG ARG A 72 -6.146 3.240 -16.308 1.00 0.00 ATOM 567 CD ARG A 72 -6.205 3.541 -17.813 1.00 0.00 ATOM 568 NE ARG A 72 -7.184 4.593 -18.050 1.00 0.00 ATOM 569 CZ ARG A 72 -6.981 5.901 -17.828 1.00 0.00 ATOM 570 NH1 ARG A 72 -5.818 6.365 -17.350 1.00 0.00 ATOM 571 NH2 ARG A 72 -7.973 6.755 -18.071 1.00 0.00 ATOM 572 O ARG A 72 -8.422 2.936 -12.459 1.00 0.00 ATOM 573 C ARG A 72 -8.221 2.067 -13.304 1.00 0.00 ATOM 574 N ASN A 73 -8.983 1.031 -13.440 1.00 0.00 ATOM 575 CA ASN A 73 -10.155 0.848 -12.595 1.00 0.00 ATOM 576 CB ASN A 73 -10.983 -0.352 -13.015 1.00 0.00 ATOM 577 CG ASN A 73 -11.711 -0.114 -14.320 1.00 0.00 ATOM 578 ND2 ASN A 73 -11.903 -1.176 -15.092 1.00 0.00 ATOM 579 OD1 ASN A 73 -12.112 1.008 -14.626 1.00 0.00 ATOM 580 O ASN A 73 -10.616 0.964 -10.244 1.00 0.00 ATOM 581 C ASN A 73 -9.789 0.706 -11.121 1.00 0.00 ATOM 582 N ASN A 74 -8.606 0.165 -10.858 1.00 0.00 ATOM 583 CA ASN A 74 -8.130 -0.030 -9.490 1.00 0.00 ATOM 584 CB ASN A 74 -7.242 -1.272 -9.396 1.00 0.00 ATOM 585 CG ASN A 74 -8.024 -2.561 -9.550 1.00 0.00 ATOM 586 ND2 ASN A 74 -7.356 -3.604 -10.034 1.00 0.00 ATOM 587 OD1 ASN A 74 -9.214 -2.618 -9.240 1.00 0.00 ATOM 588 O ASN A 74 -6.769 1.132 -7.895 1.00 0.00 ATOM 589 C ASN A 74 -7.330 1.172 -8.990 1.00 0.00 ATOM 590 N LYS A 75 -7.181 2.188 -9.837 1.00 0.00 ATOM 591 CA LYS A 75 -6.485 3.431 -9.494 1.00 0.00 ATOM 592 CB LYS A 75 -7.699 4.345 -8.759 1.00 0.00 ATOM 593 CG LYS A 75 -9.133 4.223 -9.200 1.00 0.00 ATOM 594 CD LYS A 75 -9.982 5.020 -8.232 1.00 0.00 ATOM 595 CE LYS A 75 -11.391 5.228 -8.713 1.00 0.00 ATOM 596 NZ LYS A 75 -12.145 6.068 -7.744 1.00 0.00 ATOM 597 O LYS A 75 -4.461 3.672 -8.176 1.00 0.00 ATOM 598 C LYS A 75 -5.029 3.117 -9.125 1.00 0.00 ATOM 599 N LEU A 76 -4.439 2.135 -9.937 1.00 0.00 ATOM 600 CA LEU A 76 -3.077 1.720 -9.669 1.00 0.00 ATOM 601 CB LEU A 76 -2.681 0.479 -9.579 1.00 0.00 ATOM 602 CG LEU A 76 -2.815 0.118 -8.097 1.00 0.00 ATOM 603 CD1 LEU A 76 -2.442 -1.330 -7.873 1.00 0.00 ATOM 604 CD2 LEU A 76 -1.963 1.039 -7.225 1.00 0.00 ATOM 605 O LEU A 76 -2.278 2.909 -11.582 1.00 0.00 ATOM 606 C LEU A 76 -2.069 2.586 -10.409 1.00 0.00 ATOM 607 N HIS A 77 -1.157 3.190 -9.648 1.00 0.00 ATOM 608 CA HIS A 77 -0.129 4.017 -10.260 1.00 0.00 ATOM 609 CB HIS A 77 0.724 4.702 -9.201 1.00 0.00 ATOM 610 CG HIS A 77 0.007 5.829 -8.455 1.00 0.00 ATOM 611 CD2 HIS A 77 -1.305 5.983 -8.168 1.00 0.00 ATOM 612 ND1 HIS A 77 0.665 6.922 -7.950 1.00 0.00 ATOM 613 CE1 HIS A 77 -0.198 7.738 -7.367 1.00 0.00 ATOM 614 NE2 HIS A 77 -1.406 7.184 -7.484 1.00 0.00 ATOM 615 O HIS A 77 1.414 2.098 -10.343 1.00 0.00 ATOM 616 C HIS A 77 0.897 3.070 -10.884 1.00 0.00 ATOM 617 N LEU A 78 -0.012 4.676 -11.293 1.00 0.00 ATOM 618 CA LEU A 78 0.476 5.762 -12.129 1.00 0.00 ATOM 619 CB LEU A 78 -0.068 5.634 -13.556 1.00 0.00 ATOM 620 CG LEU A 78 0.246 4.359 -14.330 1.00 0.00 ATOM 621 CD1 LEU A 78 -0.501 4.443 -15.686 1.00 0.00 ATOM 622 CD2 LEU A 78 1.756 4.193 -14.524 1.00 0.00 ATOM 623 O LEU A 78 -1.045 7.372 -11.199 1.00 0.00 ATOM 624 C LEU A 78 0.112 7.128 -11.563 1.00 0.00 ATOM 625 N GLU A 79 1.117 7.986 -11.421 1.00 0.00 ATOM 626 CA GLU A 79 0.909 9.331 -10.888 1.00 0.00 ATOM 627 CB GLU A 79 2.271 10.003 -10.658 1.00 0.00 ATOM 628 CG GLU A 79 2.207 11.382 -10.012 1.00 0.00 ATOM 629 CD GLU A 79 1.388 11.392 -8.736 1.00 0.00 ATOM 630 OE1 GLU A 79 1.462 10.410 -7.968 1.00 0.00 ATOM 631 OE2 GLU A 79 0.675 12.391 -8.498 1.00 0.00 ATOM 632 O GLU A 79 -0.854 10.873 -11.415 1.00 0.00 ATOM 633 C GLU A 79 0.021 10.123 -11.844 1.00 0.00 ATOM 634 N HIS A 80 0.286 9.992 -13.137 1.00 0.00 ATOM 635 CA HIS A 80 -0.512 10.671 -14.152 1.00 0.00 ATOM 636 CB HIS A 80 0.003 10.369 -15.557 1.00 0.00 ATOM 637 CG HIS A 80 1.361 10.934 -15.825 1.00 0.00 ATOM 638 CD2 HIS A 80 2.195 11.642 -15.033 1.00 0.00 ATOM 639 ND1 HIS A 80 2.024 10.748 -17.022 1.00 0.00 ATOM 640 CE1 HIS A 80 3.199 11.366 -16.970 1.00 0.00 ATOM 641 NE2 HIS A 80 3.320 11.927 -15.773 1.00 0.00 ATOM 642 O HIS A 80 -2.892 11.006 -14.095 1.00 0.00 ATOM 643 C HIS A 80 -1.962 10.207 -14.041 1.00 0.00 ATOM 644 N HIS A 81 -2.123 8.911 -13.798 1.00 0.00 ATOM 645 CA HIS A 81 -3.426 8.272 -13.657 1.00 0.00 ATOM 646 CB HIS A 81 -3.326 6.756 -13.538 1.00 0.00 ATOM 647 CG HIS A 81 -4.661 6.091 -13.426 1.00 0.00 ATOM 648 CD2 HIS A 81 -5.196 5.327 -12.448 1.00 0.00 ATOM 649 ND1 HIS A 81 -5.623 6.183 -14.420 1.00 0.00 ATOM 650 CE1 HIS A 81 -6.690 5.502 -14.049 1.00 0.00 ATOM 651 NE2 HIS A 81 -6.453 4.974 -12.854 1.00 0.00 ATOM 652 O HIS A 81 -5.379 8.946 -12.428 1.00 0.00 ATOM 653 C HIS A 81 -4.158 8.745 -12.414 1.00 0.00 ATOM 654 N HIS A 82 -3.411 8.954 -11.351 1.00 0.00 ATOM 655 CA HIS A 82 -4.028 9.445 -10.120 1.00 0.00 ATOM 656 CB HIS A 82 -2.978 9.596 -9.002 1.00 0.00 ATOM 657 CG HIS A 82 -3.448 10.414 -7.840 1.00 0.00 ATOM 658 CD2 HIS A 82 -4.114 10.068 -6.711 1.00 0.00 ATOM 659 ND1 HIS A 82 -3.242 11.781 -7.757 1.00 0.00 ATOM 660 CE1 HIS A 82 -3.779 12.239 -6.639 1.00 0.00 ATOM 661 NE2 HIS A 82 -4.318 11.221 -5.986 1.00 0.00 ATOM 662 O HIS A 82 -5.822 11.025 -9.860 1.00 0.00 ATOM 663 C HIS A 82 -4.700 10.787 -10.337 1.00 0.00 ATOM 664 N HIS A 83 -3.975 11.697 -10.999 1.00 0.00 ATOM 665 CA HIS A 83 -4.424 13.061 -11.285 1.00 0.00 ATOM 666 CB HIS A 83 -3.319 13.838 -12.055 1.00 0.00 ATOM 667 CG HIS A 83 -3.815 15.033 -12.822 1.00 0.00 ATOM 668 CD2 HIS A 83 -4.058 15.212 -14.143 1.00 0.00 ATOM 669 ND1 HIS A 83 -4.049 16.258 -12.222 1.00 0.00 ATOM 670 CE1 HIS A 83 -4.487 17.111 -13.135 1.00 0.00 ATOM 671 NE2 HIS A 83 -4.479 16.511 -14.308 1.00 0.00 ATOM 672 O HIS A 83 -6.695 13.755 -11.791 1.00 0.00 ATOM 673 C HIS A 83 -5.729 13.046 -12.113 1.00 0.00 ATOM 674 N HIS A 84 -5.755 12.219 -13.147 1.00 0.00 ATOM 675 CA HIS A 84 -6.940 12.097 -13.990 1.00 0.00 ATOM 676 CB HIS A 84 -6.650 11.270 -15.190 1.00 0.00 ATOM 677 CG HIS A 84 -5.924 12.025 -16.258 1.00 0.00 ATOM 678 CD2 HIS A 84 -4.698 11.859 -16.801 1.00 0.00 ATOM 679 ND1 HIS A 84 -6.465 13.139 -16.866 1.00 0.00 ATOM 680 CE1 HIS A 84 -5.626 13.592 -17.780 1.00 0.00 ATOM 681 NE2 HIS A 84 -4.542 12.836 -17.762 1.00 0.00 ATOM 682 O HIS A 84 -9.274 11.950 -13.309 1.00 0.00 ATOM 683 C HIS A 84 -8.149 11.473 -13.226 1.00 0.00 ATOM 684 N HIS A 85 -7.877 10.494 -12.369 1.00 0.00 ATOM 685 CA HIS A 85 -8.908 9.855 -11.573 1.00 0.00 ATOM 686 CB HIS A 85 -9.120 8.436 -12.074 1.00 0.00 ATOM 687 CG HIS A 85 -9.408 8.373 -13.535 1.00 0.00 ATOM 688 CD2 HIS A 85 -8.596 8.166 -14.599 1.00 0.00 ATOM 689 ND1 HIS A 85 -10.664 8.617 -14.053 1.00 0.00 ATOM 690 CE1 HIS A 85 -10.609 8.562 -15.372 1.00 0.00 ATOM 691 NE2 HIS A 85 -9.368 8.291 -15.729 1.00 0.00 ATOM 692 O HIS A 85 -9.574 9.661 -9.303 1.00 0.00 ATOM 693 C HIS A 85 -8.608 9.853 -10.080 1.00 0.00 ENDMDL EXPDTA 2hepA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hepA ATOM 1 N MET 1 3.740 -3.280 -15.260 1.00 0.00 ATOM 2 CA MET 1 3.354 -4.585 -15.872 1.00 0.00 ATOM 3 CB MET 1 4.536 -5.151 -16.672 1.00 0.00 ATOM 4 CG MET 1 5.857 -4.798 -15.980 1.00 0.00 ATOM 5 SD MET 1 7.163 -5.901 -16.577 1.00 0.00 ATOM 6 CE MET 1 7.196 -5.323 -18.294 1.00 0.00 ATOM 7 O MET 1 2.367 -6.614 -15.052 1.00 0.00 ATOM 8 C MET 1 2.951 -5.565 -14.774 1.00 0.00 ATOM 9 N ILE 2 3.266 -5.218 -13.528 1.00 0.00 ATOM 10 CA ILE 2 2.933 -6.076 -12.395 1.00 0.00 ATOM 11 CB ILE 2 3.714 -5.633 -11.153 1.00 0.00 ATOM 12 CG1 ILE 2 5.222 -5.681 -11.441 1.00 0.00 ATOM 13 CG2 ILE 2 3.391 -6.566 -9.983 1.00 0.00 ATOM 14 CD1 ILE 2 5.632 -7.091 -11.881 1.00 0.00 ATOM 15 O ILE 2 0.780 -5.008 -12.342 1.00 0.00 ATOM 16 C ILE 2 1.435 -6.025 -12.105 1.00 0.00 ATOM 17 N SER 3 0.904 -7.131 -11.590 1.00 0.00 ATOM 18 CA SER 3 -0.519 -7.214 -11.267 1.00 0.00 ATOM 19 CB SER 3 -1.348 -7.202 -12.555 1.00 0.00 ATOM 20 OG SER 3 -1.069 -8.375 -13.310 1.00 0.00 ATOM 21 O SER 3 -1.966 -8.934 -10.419 1.00 0.00 ATOM 22 C SER 3 -0.819 -8.487 -10.476 1.00 0.00 ATOM 23 N ASN 4 0.215 -9.066 -9.869 1.00 0.00 ATOM 24 CA ASN 4 0.044 -10.289 -9.088 1.00 0.00 ATOM 25 CB ASN 4 1.392 -11.008 -8.932 1.00 0.00 ATOM 26 CG ASN 4 2.423 -10.084 -8.288 1.00 0.00 ATOM 27 ND2 ASN 4 2.545 -10.058 -6.990 1.00 0.00 ATOM 28 OD1 ASN 4 3.140 -9.371 -8.988 1.00 0.00 ATOM 29 O ASN 4 -1.220 -8.956 -7.536 1.00 0.00 ATOM 30 C ASN 4 -0.556 -9.979 -7.715 1.00 0.00 ATOM 31 N ALA 5 -0.327 -10.874 -6.753 1.00 0.00 ATOM 32 CA ALA 5 -0.854 -10.700 -5.400 1.00 0.00 ATOM 33 CB ALA 5 -0.386 -11.855 -4.511 1.00 0.00 ATOM 34 O ALA 5 -0.907 -8.960 -3.747 1.00 0.00 ATOM 35 C ALA 5 -0.403 -9.373 -4.791 1.00 0.00 ATOM 36 N LYS 6 0.545 -8.708 -5.448 1.00 0.00 ATOM 37 CA LYS 6 1.047 -7.430 -4.956 1.00 0.00 ATOM 38 CB LYS 6 2.278 -7.006 -5.764 1.00 0.00 ATOM 39 CG LYS 6 2.745 -5.619 -5.306 1.00 0.00 ATOM 40 CD LYS 6 4.120 -5.312 -5.907 1.00 0.00 ATOM 41 CE LYS 6 5.201 -6.098 -5.160 1.00 0.00 ATOM 42 NZ LYS 6 6.460 -5.300 -5.125 1.00 0.00 ATOM 43 O LYS 6 -0.430 -5.761 -4.066 1.00 0.00 ATOM 44 C LYS 6 -0.036 -6.361 -5.066 1.00 0.00 ATOM 45 N ILE 7 -0.516 -6.135 -6.287 1.00 0.00 ATOM 46 CA ILE 7 -1.560 -5.142 -6.521 1.00 0.00 ATOM 47 CB ILE 7 -1.959 -5.144 -8.006 1.00 0.00 ATOM 48 CG1 ILE 7 -0.968 -4.282 -8.803 1.00 0.00 ATOM 49 CG2 ILE 7 -3.373 -4.573 -8.175 1.00 0.00 ATOM 50 CD1 ILE 7 0.429 -4.910 -8.757 1.00 0.00 ATOM 51 O ILE 7 -3.331 -4.550 -5.007 1.00 0.00 ATOM 52 C ILE 7 -2.776 -5.443 -5.649 1.00 0.00 ATOM 53 N ALA 8 -3.179 -6.711 -5.632 1.00 0.00 ATOM 54 CA ALA 8 -4.327 -7.135 -4.839 1.00 0.00 ATOM 55 CB ALA 8 -4.557 -8.637 -5.021 1.00 0.00 ATOM 56 O ALA 8 -4.991 -6.280 -2.694 1.00 0.00 ATOM 57 C ALA 8 -4.111 -6.829 -3.357 1.00 0.00 ATOM 58 N ARG 9 -2.936 -7.191 -2.848 1.00 0.00 ATOM 59 CA ARG 9 -2.610 -6.957 -1.443 1.00 0.00 ATOM 60 CB ARG 9 -1.213 -7.511 -1.136 1.00 0.00 ATOM 61 CG ARG 9 -0.848 -7.242 0.329 1.00 0.00 ATOM 62 CD ARG 9 -1.827 -7.973 1.250 1.00 0.00 ATOM 63 NE ARG 9 -1.212 -8.214 2.552 1.00 0.00 ATOM 64 CZ ARG 9 -1.716 -9.105 3.401 1.00 0.00 ATOM 65 NH1 ARG 9 -2.781 -9.790 3.080 1.00 0.00 ATOM 66 NH2 ARG 9 -1.146 -9.293 4.559 1.00 0.00 ATOM 67 O ARG 9 -3.288 -5.057 -0.139 1.00 0.00 ATOM 68 C ARG 9 -2.657 -5.467 -1.114 1.00 0.00 ATOM 69 N ILE 10 -1.978 -4.667 -1.931 1.00 0.00 ATOM 70 CA ILE 10 -1.935 -3.222 -1.722 1.00 0.00 ATOM 71 CB ILE 10 -1.213 -2.546 -2.894 1.00 0.00 ATOM 72 CG1 ILE 10 0.280 -2.893 -2.840 1.00 0.00 ATOM 73 CG2 ILE 10 -1.382 -1.026 -2.801 1.00 0.00 ATOM 74 CD1 ILE 10 0.936 -2.560 -4.182 1.00 0.00 ATOM 75 O ILE 10 -3.643 -1.966 -0.596 1.00 0.00 ATOM 76 C ILE 10 -3.344 -2.646 -1.577 1.00 0.00 ATOM 77 N ASN 11 -4.201 -2.917 -2.560 1.00 0.00 ATOM 78 CA ASN 11 -5.570 -2.410 -2.529 1.00 0.00 ATOM 79 CB ASN 11 -6.314 -2.823 -3.811 1.00 0.00 ATOM 80 CG ASN 11 -7.230 -4.024 -3.567 1.00 0.00 ATOM 81 ND2 ASN 11 -6.990 -5.145 -4.186 1.00 0.00 ATOM 82 OD1 ASN 11 -8.194 -3.934 -2.806 1.00 0.00 ATOM 83 O ASN 11 -7.062 -2.178 -0.662 1.00 0.00 ATOM 84 C ASN 11 -6.305 -2.918 -1.291 1.00 0.00 ATOM 85 N GLU 12 -6.078 -4.183 -0.950 1.00 0.00 ATOM 86 CA GLU 12 -6.726 -4.779 0.213 1.00 0.00 ATOM 87 CB GLU 12 -6.326 -6.253 0.343 1.00 0.00 ATOM 88 CG GLU 12 -7.236 -7.118 -0.536 1.00 0.00 ATOM 89 CD GLU 12 -8.685 -7.013 -0.064 1.00 0.00 ATOM 90 OE1 GLU 12 -8.963 -7.450 1.041 1.00 0.00 ATOM 91 OE2 GLU 12 -9.496 -6.496 -0.815 1.00 0.00 ATOM 92 O GLU 12 -7.206 -3.495 2.182 1.00 0.00 ATOM 93 C GLU 12 -6.344 -4.031 1.486 1.00 0.00 ATOM 94 N LEU 13 -5.048 -4.002 1.786 1.00 0.00 ATOM 95 CA LEU 13 -4.558 -3.324 2.984 1.00 0.00 ATOM 96 CB LEU 13 -3.034 -3.457 3.070 1.00 0.00 ATOM 97 CG LEU 13 -2.607 -3.619 4.534 1.00 0.00 ATOM 98 CD1 LEU 13 -1.130 -4.016 4.593 1.00 0.00 ATOM 99 CD2 LEU 13 -2.803 -2.294 5.280 1.00 0.00 ATOM 100 O LEU 13 -5.428 -1.312 3.965 1.00 0.00 ATOM 101 C LEU 13 -4.941 -1.845 2.968 1.00 0.00 ATOM 102 N ALA 14 -4.711 -1.191 1.833 1.00 0.00 ATOM 103 CA ALA 14 -5.027 0.228 1.696 1.00 0.00 ATOM 104 CB ALA 14 -4.743 0.690 0.265 1.00 0.00 ATOM 105 O ALA 14 -6.790 1.312 2.909 1.00 0.00 ATOM 106 C ALA 14 -6.489 0.499 2.036 1.00 0.00 ATOM 107 N ALA 15 -7.392 -0.182 1.335 1.00 0.00 ATOM 108 CA ALA 15 -8.825 -0.002 1.559 1.00 0.00 ATOM 109 CB ALA 15 -9.615 -0.875 0.582 1.00 0.00 ATOM 110 O ALA 15 -10.055 0.293 3.601 1.00 0.00 ATOM 111 C ALA 15 -9.211 -0.366 2.992 1.00 0.00 ATOM 112 N LYS 16 -8.588 -1.413 3.525 1.00 0.00 ATOM 113 CA LYS 16 -8.871 -1.853 4.888 1.00 0.00 ATOM 114 CB LYS 16 -8.105 -3.142 5.203 1.00 0.00 ATOM 115 CG LYS 16 -9.059 -4.340 5.126 1.00 0.00 ATOM 116 CD LYS 16 -9.439 -4.615 3.664 1.00 0.00 ATOM 117 CE LYS 16 -10.820 -5.275 3.604 1.00 0.00 ATOM 118 NZ LYS 16 -10.778 -6.589 4.307 1.00 0.00 ATOM 119 O LYS 16 -9.336 -0.217 6.579 1.00 0.00 ATOM 120 C LYS 16 -8.485 -0.765 5.878 1.00 0.00 ATOM 121 N ALA 17 -7.192 -0.454 5.920 1.00 0.00 ATOM 122 CA ALA 17 -6.689 0.577 6.816 1.00 0.00 ATOM 123 CB ALA 17 -5.180 0.744 6.623 1.00 0.00 ATOM 124 O ALA 17 -7.495 2.753 7.421 1.00 0.00 ATOM 125 C ALA 17 -7.388 1.903 6.539 1.00 0.00 ATOM 126 N LYS 18 -7.866 2.070 5.306 1.00 0.00 ATOM 127 CA LYS 18 -8.556 3.302 4.930 1.00 0.00 ATOM 128 CB LYS 18 -8.659 3.411 3.404 1.00 0.00 ATOM 129 CG LYS 18 -9.584 4.576 3.031 1.00 0.00 ATOM 130 CD LYS 18 -9.264 5.054 1.612 1.00 0.00 ATOM 131 CE LYS 18 -10.204 6.202 1.233 1.00 0.00 ATOM 132 NZ LYS 18 -11.587 5.674 1.065 1.00 0.00 ATOM 133 O LYS 18 -10.289 4.267 6.282 1.00 0.00 ATOM 134 C LYS 18 -9.953 3.341 5.543 1.00 0.00 ATOM 135 N ALA 19 -10.761 2.330 5.230 1.00 0.00 ATOM 136 CA ALA 19 -12.122 2.256 5.752 1.00 0.00 ATOM 137 CB ALA 19 -12.927 1.219 4.962 1.00 0.00 ATOM 138 O ALA 19 -13.175 1.786 7.859 1.00 0.00 ATOM 139 C ALA 19 -12.118 1.878 7.232 1.00 0.00 ATOM 140 N GLY 20 -10.924 1.664 7.786 1.00 0.00 ATOM 141 CA GLY 20 -10.797 1.298 9.193 1.00 0.00 ATOM 142 O GLY 20 -11.257 3.084 10.725 1.00 0.00 ATOM 143 C GLY 20 -10.413 2.507 10.040 1.00 0.00 ATOM 144 N VAL 21 -9.137 2.889 9.980 1.00 0.00 ATOM 145 CA VAL 21 -8.644 4.037 10.742 1.00 0.00 ATOM 146 CB VAL 21 -8.322 3.630 12.189 1.00 0.00 ATOM 147 CG1 VAL 21 -9.619 3.380 12.968 1.00 0.00 ATOM 148 CG2 VAL 21 -7.473 2.354 12.193 1.00 0.00 ATOM 149 O VAL 21 -7.198 5.825 10.048 1.00 0.00 ATOM 150 C VAL 21 -7.388 4.609 10.090 1.00 0.00 ATOM 151 N ILE 22 -6.535 3.715 9.590 1.00 0.00 ATOM 152 CA ILE 22 -5.284 4.109 8.942 1.00 0.00 ATOM 153 CB ILE 22 -5.554 5.135 7.818 1.00 0.00 ATOM 154 CG1 ILE 22 -4.997 4.598 6.488 1.00 0.00 ATOM 155 CG2 ILE 22 -4.897 6.487 8.137 1.00 0.00 ATOM 156 CD1 ILE 22 -3.515 4.234 6.638 1.00 0.00 ATOM 157 O ILE 22 -4.669 5.506 10.802 1.00 0.00 ATOM 158 C ILE 22 -4.305 4.669 9.974 1.00 0.00 ATOM 159 N THR 23 -3.065 4.191 9.920 1.00 0.00 ATOM 160 CA THR 23 -2.035 4.638 10.854 1.00 0.00 ATOM 161 CB THR 23 -1.736 3.533 11.876 1.00 0.00 ATOM 162 CG2 THR 23 -3.042 3.047 12.509 1.00 0.00 ATOM 163 OG1 THR 23 -1.090 2.447 11.226 1.00 0.00 ATOM 164 O THR 23 -0.469 4.444 9.046 1.00 0.00 ATOM 165 C THR 23 -0.756 4.999 10.107 1.00 0.00 ATOM 166 N GLU 24 0.009 5.929 10.674 1.00 0.00 ATOM 167 CA GLU 24 1.264 6.359 10.063 1.00 0.00 ATOM 168 CB GLU 24 2.036 7.249 11.043 1.00 0.00 ATOM 169 CG GLU 24 3.274 7.834 10.353 1.00 0.00 ATOM 170 CD GLU 24 4.266 8.347 11.396 1.00 0.00 ATOM 171 OE1 GLU 24 3.823 8.929 12.374 1.00 0.00 ATOM 172 OE2 GLU 24 5.455 8.153 11.200 1.00 0.00 ATOM 173 O GLU 24 2.709 5.106 8.609 1.00 0.00 ATOM 174 C GLU 24 2.118 5.150 9.688 1.00 0.00 ATOM 175 N GLU 25 2.172 4.171 10.589 1.00 0.00 ATOM 176 CA GLU 25 2.952 2.959 10.353 1.00 0.00 ATOM 177 CB GLU 25 2.843 2.018 11.559 1.00 0.00 ATOM 178 CG GLU 25 3.050 2.806 12.859 1.00 0.00 ATOM 179 CD GLU 25 4.290 3.692 12.752 1.00 0.00 ATOM 180 OE1 GLU 25 4.128 4.892 12.594 1.00 0.00 ATOM 181 OE2 GLU 25 5.384 3.157 12.827 1.00 0.00 ATOM 182 O GLU 25 3.245 1.943 8.197 1.00 0.00 ATOM 183 C GLU 25 2.461 2.242 9.099 1.00 0.00 ATOM 184 N GLU 26 1.158 1.974 9.048 1.00 0.00 ATOM 185 CA GLU 26 0.569 1.294 7.898 1.00 0.00 ATOM 186 CB GLU 26 -0.924 1.049 8.139 1.00 0.00 ATOM 187 CG GLU 26 -1.109 -0.037 9.202 1.00 0.00 ATOM 188 CD GLU 26 -2.595 -0.221 9.499 1.00 0.00 ATOM 189 OE1 GLU 26 -3.238 -0.961 8.772 1.00 0.00 ATOM 190 OE2 GLU 26 -3.070 0.385 10.446 1.00 0.00 ATOM 191 O GLU 26 1.247 1.652 5.626 1.00 0.00 ATOM 192 C GLU 26 0.745 2.136 6.640 1.00 0.00 ATOM 193 N LYS 27 0.330 3.398 6.720 1.00 0.00 ATOM 194 CA LYS 27 0.440 4.314 5.588 1.00 0.00 ATOM 195 CB LYS 27 0.023 5.722 6.023 1.00 0.00 ATOM 196 CG LYS 27 -0.150 6.619 4.794 1.00 0.00 ATOM 197 CD LYS 27 -0.496 8.041 5.247 1.00 0.00 ATOM 198 CE LYS 27 -0.860 8.898 4.032 1.00 0.00 ATOM 199 NZ LYS 27 0.347 9.097 3.180 1.00 0.00 ATOM 200 O LYS 27 2.079 4.396 3.832 1.00 0.00 ATOM 201 C LYS 27 1.870 4.340 5.045 1.00 0.00 ATOM 202 N ALA 28 2.849 4.298 5.949 1.00 0.00 ATOM 203 CA ALA 28 4.254 4.317 5.545 1.00 0.00 ATOM 204 CB ALA 28 5.155 4.331 6.783 1.00 0.00 ATOM 205 O ALA 28 5.273 3.215 3.670 1.00 0.00 ATOM 206 C ALA 28 4.585 3.100 4.684 1.00 0.00 ATOM 207 N GLU 29 4.088 1.936 5.095 1.00 0.00 ATOM 208 CA GLU 29 4.334 0.704 4.350 1.00 0.00 ATOM 209 CB GLU 29 3.645 -0.476 5.044 1.00 0.00 ATOM 210 CG GLU 29 4.642 -1.185 5.967 1.00 0.00 ATOM 211 CD GLU 29 4.918 -0.330 7.202 1.00 0.00 ATOM 212 OE1 GLU 29 5.710 0.593 7.097 1.00 0.00 ATOM 213 OE2 GLU 29 4.333 -0.610 8.236 1.00 0.00 ATOM 214 O GLU 29 4.589 0.709 1.963 1.00 0.00 ATOM 215 C GLU 29 3.822 0.834 2.917 1.00 0.00 ATOM 216 N GLN 30 2.522 1.087 2.775 1.00 0.00 ATOM 217 CA GLN 30 1.914 1.236 1.452 1.00 0.00 ATOM 218 CB GLN 30 0.461 1.717 1.578 1.00 0.00 ATOM 219 CG GLN 30 -0.146 1.217 2.892 1.00 0.00 ATOM 220 CD GLN 30 -1.665 1.362 2.864 1.00 0.00 ATOM 221 OE1 GLN 30 -2.231 1.824 1.872 1.00 0.00 ATOM 222 NE2 GLN 30 -2.363 0.997 3.904 1.00 0.00 ATOM 223 O GLN 30 2.727 2.127 -0.626 1.00 0.00 ATOM 224 C GLN 30 2.702 2.230 0.601 1.00 0.00 ATOM 225 N GLN 31 3.337 3.196 1.263 1.00 0.00 ATOM 226 CA GLN 31 4.118 4.212 0.564 1.00 0.00 ATOM 227 CB GLN 31 4.760 5.166 1.576 1.00 0.00 ATOM 228 CG GLN 31 5.015 6.524 0.915 1.00 0.00 ATOM 229 CD GLN 31 5.987 7.345 1.758 1.00 0.00 ATOM 230 OE1 GLN 31 6.105 7.128 2.965 1.00 0.00 ATOM 231 NE2 GLN 31 6.695 8.283 1.191 1.00 0.00 ATOM 232 O GLN 31 5.225 3.758 -1.513 1.00 0.00 ATOM 233 C GLN 31 5.205 3.575 -0.297 1.00 0.00 ATOM 234 N LYS 32 6.113 2.836 0.338 1.00 0.00 ATOM 235 CA LYS 32 7.203 2.190 -0.388 1.00 0.00 ATOM 236 CB LYS 32 8.117 1.436 0.591 1.00 0.00 ATOM 237 CG LYS 32 7.596 0.011 0.821 1.00 0.00 ATOM 238 CD LYS 32 8.393 -0.655 1.946 1.00 0.00 ATOM 239 CE LYS 32 7.901 -2.093 2.140 1.00 0.00 ATOM 240 NZ LYS 32 6.752 -2.104 3.089 1.00 0.00 ATOM 241 O LYS 32 7.192 1.163 -2.558 1.00 0.00 ATOM 242 C LYS 32 6.661 1.235 -1.451 1.00 0.00 ATOM 243 N LEU 33 5.603 0.506 -1.105 1.00 0.00 ATOM 244 CA LEU 33 4.999 -0.442 -2.036 1.00 0.00 ATOM 245 CB LEU 33 3.789 -1.121 -1.384 1.00 0.00 ATOM 246 CG LEU 33 4.267 -2.158 -0.361 1.00 0.00 ATOM 247 CD1 LEU 33 3.074 -2.651 0.461 1.00 0.00 ATOM 248 CD2 LEU 33 4.908 -3.345 -1.089 1.00 0.00 ATOM 249 O LEU 33 5.005 -0.097 -4.414 1.00 0.00 ATOM 250 C LEU 33 4.563 0.260 -3.321 1.00 0.00 ATOM 251 N ARG 34 3.690 1.256 -3.180 1.00 0.00 ATOM 252 CA ARG 34 3.192 2.001 -4.335 1.00 0.00 ATOM 253 CB ARG 34 2.066 2.946 -3.902 1.00 0.00 ATOM 254 CG ARG 34 0.768 2.151 -3.724 1.00 0.00 ATOM 255 CD ARG 34 0.222 1.735 -5.094 1.00 0.00 ATOM 256 NE ARG 34 -1.223 1.531 -5.024 1.00 0.00 ATOM 257 CZ ARG 34 -2.072 2.556 -5.044 1.00 0.00 ATOM 258 NH1 ARG 34 -1.624 3.780 -5.121 1.00 0.00 ATOM 259 NH2 ARG 34 -3.358 2.338 -4.987 1.00 0.00 ATOM 260 O ARG 34 4.407 2.856 -6.218 1.00 0.00 ATOM 261 C ARG 34 4.311 2.803 -4.992 1.00 0.00 ATOM 262 N GLN 35 5.154 3.424 -4.172 1.00 0.00 ATOM 263 CA GLN 35 6.263 4.220 -4.689 1.00 0.00 ATOM 264 CB GLN 35 7.031 4.858 -3.526 1.00 0.00 ATOM 265 CG GLN 35 8.288 5.566 -4.049 1.00 0.00 ATOM 266 CD GLN 35 7.915 6.612 -5.097 1.00 0.00 ATOM 267 OE1 GLN 35 6.932 7.338 -4.933 1.00 0.00 ATOM 268 NE2 GLN 35 8.647 6.736 -6.171 1.00 0.00 ATOM 269 O GLN 35 7.708 3.782 -6.556 1.00 0.00 ATOM 270 C GLN 35 7.205 3.351 -5.517 1.00 0.00 ATOM 271 N GLU 36 7.433 2.125 -5.053 1.00 0.00 ATOM 272 CA GLU 36 8.312 1.201 -5.761 1.00 0.00 ATOM 273 CB GLU 36 8.508 -0.072 -4.933 1.00 0.00 ATOM 274 CG GLU 36 9.324 -1.094 -5.735 1.00 0.00 ATOM 275 CD GLU 36 9.692 -2.286 -4.853 1.00 0.00 ATOM 276 OE1 GLU 36 10.800 -2.778 -4.989 1.00 0.00 ATOM 277 OE2 GLU 36 8.859 -2.693 -4.058 1.00 0.00 ATOM 278 O GLU 36 8.377 1.001 -8.151 1.00 0.00 ATOM 279 C GLU 36 7.720 0.847 -7.121 1.00 0.00 ATOM 280 N TYR 37 6.475 0.372 -7.116 1.00 0.00 ATOM 281 CA TYR 37 5.803 -0.000 -8.357 1.00 0.00 ATOM 282 CB TYR 37 4.350 -0.396 -8.078 1.00 0.00 ATOM 283 CG TYR 37 3.621 -0.591 -9.390 1.00 0.00 ATOM 284 CD1 TYR 37 2.604 0.296 -9.766 1.00 0.00 ATOM 285 CD2 TYR 37 3.971 -1.652 -10.236 1.00 0.00 ATOM 286 CE1 TYR 37 1.937 0.122 -10.985 1.00 0.00 ATOM 287 CE2 TYR 37 3.303 -1.826 -11.454 1.00 0.00 ATOM 288 CZ TYR 37 2.287 -0.939 -11.829 1.00 0.00 ATOM 289 OH TYR 37 1.632 -1.109 -13.031 1.00 0.00 ATOM 290 O TYR 37 6.140 0.964 -10.524 1.00 0.00 ATOM 291 C TYR 37 5.836 1.157 -9.351 1.00 0.00 ATOM 292 N LEU 38 5.520 2.356 -8.869 1.00 0.00 ATOM 293 CA LEU 38 5.517 3.541 -9.723 1.00 0.00 ATOM 294 CB LEU 38 5.118 4.775 -8.900 1.00 0.00 ATOM 295 CG LEU 38 3.657 5.154 -9.177 1.00 0.00 ATOM 296 CD1 LEU 38 3.506 5.618 -10.630 1.00 0.00 ATOM 297 CD2 LEU 38 2.751 3.942 -8.928 1.00 0.00 ATOM 298 O LEU 38 7.013 4.180 -11.492 1.00 0.00 ATOM 299 C LEU 38 6.897 3.766 -10.339 1.00 0.00 ATOM 300 N LYS 39 7.938 3.497 -9.554 1.00 0.00 ATOM 301 CA LYS 39 9.312 3.681 -10.015 1.00 0.00 ATOM 302 CB LYS 39 10.279 3.464 -8.847 1.00 0.00 ATOM 303 CG LYS 39 11.611 4.161 -9.141 1.00 0.00 ATOM 304 CD LYS 39 12.568 3.958 -7.961 1.00 0.00 ATOM 305 CE LYS 39 13.296 2.619 -8.111 1.00 0.00 ATOM 306 NZ LYS 39 13.805 2.177 -6.782 1.00 0.00 ATOM 307 O LYS 39 10.470 3.038 -12.018 1.00 0.00 ATOM 308 C LYS 39 9.657 2.716 -11.151 1.00 0.00 ATOM 309 N GLY 40 9.046 1.533 -11.137 1.00 0.00 ATOM 310 CA GLY 40 9.314 0.534 -12.171 1.00 0.00 ATOM 311 O GLY 40 8.475 0.186 -14.389 1.00 0.00 ATOM 312 C GLY 40 8.216 0.518 -13.232 1.00 0.00 ATOM 313 N PHE 41 6.999 0.880 -12.819 1.00 0.00 ATOM 314 CA PHE 41 5.834 0.915 -13.712 1.00 0.00 ATOM 315 CB PHE 41 5.527 2.370 -14.096 1.00 0.00 ATOM 316 CG PHE 41 4.206 2.440 -14.829 1.00 0.00 ATOM 317 CD1 PHE 41 4.160 2.899 -16.152 1.00 0.00 ATOM 318 CD2 PHE 41 3.025 2.051 -14.182 1.00 0.00 ATOM 319 CE1 PHE 41 2.936 2.967 -16.827 1.00 0.00 ATOM 320 CE2 PHE 41 1.802 2.119 -14.859 1.00 0.00 ATOM 321 CZ PHE 41 1.757 2.577 -16.181 1.00 0.00 ATOM 322 O PHE 41 6.029 -1.174 -14.887 1.00 0.00 ATOM 323 C PHE 41 6.051 0.055 -14.966 1.00 0.00 ATOM 324 N ARG 42 6.264 0.701 -16.115 1.00 0.00 ATOM 325 CA ARG 42 6.486 -0.024 -17.365 1.00 0.00 ATOM 326 CB ARG 42 5.980 0.807 -18.552 1.00 0.00 ATOM 327 CG ARG 42 6.867 2.043 -18.745 1.00 0.00 ATOM 328 CD ARG 42 6.177 3.028 -19.691 1.00 0.00 ATOM 329 NE ARG 42 7.053 4.162 -19.962 1.00 0.00 ATOM 330 CZ ARG 42 6.659 5.174 -20.730 1.00 0.00 ATOM 331 NH1 ARG 42 5.464 5.174 -21.257 1.00 0.00 ATOM 332 NH2 ARG 42 7.469 6.171 -20.955 1.00 0.00 ATOM 333 O ARG 42 8.338 -1.400 -18.038 1.00 0.00 ATOM 334 C ARG 42 7.971 -0.331 -17.548 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_99266512.pdb -s /var/tmp/to_scwrl_99266512.seq -o /var/tmp/from_scwrl_99266512.pdb > /var/tmp/scwrl_99266512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_99266512.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -79.762 # GDT_score(maxd=8.000,maxw=2.900)= -85.215 # GDT_score(maxd=8.000,maxw=3.200)= -80.981 # GDT_score(maxd=8.000,maxw=3.500)= -76.849 # GDT_score(maxd=10.000,maxw=3.800)= -79.089 # GDT_score(maxd=10.000,maxw=4.000)= -76.563 # GDT_score(maxd=10.000,maxw=4.200)= -74.278 # GDT_score(maxd=12.000,maxw=4.300)= -77.584 # GDT_score(maxd=12.000,maxw=4.500)= -75.394 # GDT_score(maxd=12.000,maxw=4.700)= -73.300 # GDT_score(maxd=14.000,maxw=5.200)= -71.871 # GDT_score(maxd=14.000,maxw=5.500)= -68.992 # command:# request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1500059679.pdb -s /var/tmp/to_scwrl_1500059679.seq -o /var/tmp/from_scwrl_1500059679.pdb > /var/tmp/scwrl_1500059679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500059679.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 81 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -70.238 # GDT_score(maxd=8.000,maxw=2.900)= -73.505 # GDT_score(maxd=8.000,maxw=3.200)= -69.292 # GDT_score(maxd=8.000,maxw=3.500)= -65.620 # GDT_score(maxd=10.000,maxw=3.800)= -68.760 # GDT_score(maxd=10.000,maxw=4.000)= -66.579 # GDT_score(maxd=10.000,maxw=4.200)= -64.471 # GDT_score(maxd=12.000,maxw=4.300)= -68.255 # GDT_score(maxd=12.000,maxw=4.500)= -66.194 # GDT_score(maxd=12.000,maxw=4.700)= -64.268 # GDT_score(maxd=14.000,maxw=5.200)= -63.382 # GDT_score(maxd=14.000,maxw=5.500)= -60.964 # command:# request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_439736254.pdb -s /var/tmp/to_scwrl_439736254.seq -o /var/tmp/from_scwrl_439736254.pdb > /var/tmp/scwrl_439736254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_439736254.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 68 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -65.476 # GDT_score(maxd=8.000,maxw=2.900)= -63.740 # GDT_score(maxd=8.000,maxw=3.200)= -61.336 # GDT_score(maxd=8.000,maxw=3.500)= -59.344 # GDT_score(maxd=10.000,maxw=3.800)= -62.910 # GDT_score(maxd=10.000,maxw=4.000)= -61.535 # GDT_score(maxd=10.000,maxw=4.200)= -60.176 # GDT_score(maxd=12.000,maxw=4.300)= -63.646 # GDT_score(maxd=12.000,maxw=4.500)= -62.264 # GDT_score(maxd=12.000,maxw=4.700)= -60.931 # GDT_score(maxd=14.000,maxw=5.200)= -60.857 # GDT_score(maxd=14.000,maxw=5.500)= -58.817 # command:# request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1353213325.pdb -s /var/tmp/to_scwrl_1353213325.seq -o /var/tmp/from_scwrl_1353213325.pdb > /var/tmp/scwrl_1353213325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1353213325.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 # command:# fraction of real conformation used = 1.000 # GDT_score = -75.000 # GDT_score(maxd=8.000,maxw=2.900)= -75.534 # GDT_score(maxd=8.000,maxw=3.200)= -72.328 # GDT_score(maxd=8.000,maxw=3.500)= -69.478 # GDT_score(maxd=10.000,maxw=3.800)= -72.245 # GDT_score(maxd=10.000,maxw=4.000)= -70.537 # GDT_score(maxd=10.000,maxw=4.200)= -68.762 # GDT_score(maxd=12.000,maxw=4.300)= -72.050 # GDT_score(maxd=12.000,maxw=4.500)= -70.272 # GDT_score(maxd=12.000,maxw=4.700)= -68.497 # GDT_score(maxd=14.000,maxw=5.200)= -67.682 # GDT_score(maxd=14.000,maxw=5.500)= -65.305 # command:# request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_319118701.pdb -s /var/tmp/to_scwrl_319118701.seq -o /var/tmp/from_scwrl_319118701.pdb > /var/tmp/scwrl_319118701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_319118701.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 T0335.try1-opt2.pdb looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -76.190 # GDT_score(maxd=8.000,maxw=2.900)= -79.024 # GDT_score(maxd=8.000,maxw=3.200)= -75.095 # GDT_score(maxd=8.000,maxw=3.500)= -71.335 # GDT_score(maxd=10.000,maxw=3.800)= -74.010 # GDT_score(maxd=10.000,maxw=4.000)= -71.710 # GDT_score(maxd=10.000,maxw=4.200)= -69.384 # GDT_score(maxd=12.000,maxw=4.300)= -73.035 # GDT_score(maxd=12.000,maxw=4.500)= -70.779 # GDT_score(maxd=12.000,maxw=4.700)= -68.578 # GDT_score(maxd=14.000,maxw=5.200)= -67.194 # GDT_score(maxd=14.000,maxw=5.500)= -64.308 # command:# Prefix for output files set to # command:EXPDTA T0335.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0335.try1-opt2.pdb ATOM 1 N MET A 1 5.377 -7.776 -14.804 1.00 0.00 ATOM 2 CA MET A 1 6.478 -8.268 -13.917 1.00 0.00 ATOM 3 CB MET A 1 7.352 -6.938 -13.509 1.00 0.00 ATOM 4 CG MET A 1 8.734 -6.629 -14.021 1.00 0.00 ATOM 5 SD MET A 1 9.694 -8.127 -14.217 1.00 0.00 ATOM 6 CE MET A 1 10.925 -7.551 -15.513 1.00 0.00 ATOM 7 O MET A 1 6.474 -9.362 -11.773 1.00 0.00 ATOM 8 C MET A 1 6.041 -8.419 -12.454 1.00 0.00 ATOM 9 N ILE A 2 5.212 -7.492 -11.962 1.00 0.00 ATOM 10 CA ILE A 2 4.650 -7.601 -10.616 1.00 0.00 ATOM 11 CB ILE A 2 4.125 -6.239 -10.122 1.00 0.00 ATOM 12 CG1 ILE A 2 5.241 -5.193 -10.160 1.00 0.00 ATOM 13 CG2 ILE A 2 3.618 -6.350 -8.693 1.00 0.00 ATOM 14 CD1 ILE A 2 6.430 -5.535 -9.289 1.00 0.00 ATOM 15 O ILE A 2 2.576 -8.530 -11.384 1.00 0.00 ATOM 16 C ILE A 2 3.502 -8.614 -10.586 1.00 0.00 ATOM 17 N SER A 3 3.576 -9.607 -9.687 1.00 0.00 ATOM 18 CA SER A 3 2.528 -10.630 -9.575 1.00 0.00 ATOM 19 CB SER A 3 2.886 -11.650 -8.492 1.00 0.00 ATOM 20 OG SER A 3 2.891 -11.051 -7.209 1.00 0.00 ATOM 21 O SER A 3 1.131 -8.960 -8.556 1.00 0.00 ATOM 22 C SER A 3 1.180 -10.009 -9.200 1.00 0.00 ATOM 23 N ASN A 4 0.053 -10.702 -9.636 1.00 0.00 ATOM 24 CA ASN A 4 -1.278 -10.198 -9.313 1.00 0.00 ATOM 25 CB ASN A 4 -2.282 -11.475 -9.483 1.00 0.00 ATOM 26 CG ASN A 4 -3.754 -11.180 -9.797 1.00 0.00 ATOM 27 ND2 ASN A 4 -4.568 -11.116 -8.727 1.00 0.00 ATOM 28 OD1 ASN A 4 -4.161 -11.073 -10.980 1.00 0.00 ATOM 29 O ASN A 4 -2.179 -9.181 -7.331 1.00 0.00 ATOM 30 C ASN A 4 -1.487 -10.081 -7.805 1.00 0.00 ATOM 31 N ALA A 5 -0.888 -11.020 -7.063 1.00 0.00 ATOM 32 CA ALA A 5 -1.022 -10.992 -5.609 1.00 0.00 ATOM 33 CB ALA A 5 -0.338 -12.202 -4.990 1.00 0.00 ATOM 34 O ALA A 5 -1.000 -9.056 -4.187 1.00 0.00 ATOM 35 C ALA A 5 -0.398 -9.720 -5.038 1.00 0.00 ATOM 36 N LYS A 6 0.782 -9.357 -5.505 1.00 0.00 ATOM 37 CA LYS A 6 1.445 -8.161 -5.007 1.00 0.00 ATOM 38 CB LYS A 6 2.890 -8.057 -5.500 1.00 0.00 ATOM 39 CG LYS A 6 3.774 -9.176 -4.989 1.00 0.00 ATOM 40 CD LYS A 6 5.219 -8.965 -5.434 1.00 0.00 ATOM 41 CE LYS A 6 6.150 -10.138 -5.148 1.00 0.00 ATOM 42 NZ LYS A 6 7.503 -9.915 -5.767 1.00 0.00 ATOM 43 O LYS A 6 0.516 -5.994 -4.509 1.00 0.00 ATOM 44 C LYS A 6 0.671 -6.896 -5.355 1.00 0.00 ATOM 45 N ILE A 7 0.160 -6.841 -6.570 1.00 0.00 ATOM 46 CA ILE A 7 -0.580 -5.705 -6.994 1.00 0.00 ATOM 47 CB ILE A 7 -0.958 -5.872 -8.527 1.00 0.00 ATOM 48 CG1 ILE A 7 0.292 -5.679 -9.386 1.00 0.00 ATOM 49 CG2 ILE A 7 -2.066 -4.873 -8.932 1.00 0.00 ATOM 50 CD1 ILE A 7 0.061 -6.019 -10.867 1.00 0.00 ATOM 51 O ILE A 7 -2.225 -4.461 -5.749 1.00 0.00 ATOM 52 C ILE A 7 -1.851 -5.572 -6.148 1.00 0.00 ATOM 53 N ALA A 8 -2.526 -6.690 -5.860 1.00 0.00 ATOM 54 CA ALA A 8 -3.732 -6.651 -5.032 1.00 0.00 ATOM 55 CB ALA A 8 -4.371 -8.038 -4.968 1.00 0.00 ATOM 56 O ALA A 8 -4.196 -5.447 -3.009 1.00 0.00 ATOM 57 C ALA A 8 -3.393 -6.177 -3.614 1.00 0.00 ATOM 58 N ARG A 9 -2.195 -6.534 -3.127 1.00 0.00 ATOM 59 CA ARG A 9 -1.790 -6.117 -1.759 1.00 0.00 ATOM 60 CB ARG A 9 -0.506 -6.783 -1.302 1.00 0.00 ATOM 61 CG ARG A 9 -0.616 -8.281 -1.062 1.00 0.00 ATOM 62 CD ARG A 9 0.742 -8.948 -0.874 1.00 0.00 ATOM 63 NE ARG A 9 1.433 -8.462 0.325 1.00 0.00 ATOM 64 CZ ARG A 9 2.715 -8.156 0.380 1.00 0.00 ATOM 65 NH1 ARG A 9 3.492 -8.245 -0.698 1.00 0.00 ATOM 66 NH2 ARG A 9 3.235 -7.755 1.539 1.00 0.00 ATOM 67 O ARG A 9 -2.086 -3.973 -0.723 1.00 0.00 ATOM 68 C ARG A 9 -1.657 -4.606 -1.700 1.00 0.00 ATOM 69 N ILE A 10 -1.032 -4.018 -2.724 1.00 0.00 ATOM 70 CA ILE A 10 -0.916 -2.564 -2.802 1.00 0.00 ATOM 71 CB ILE A 10 -0.095 -2.152 -4.043 1.00 0.00 ATOM 72 CG1 ILE A 10 1.375 -2.544 -3.824 1.00 0.00 ATOM 73 CG2 ILE A 10 -0.252 -0.663 -4.332 1.00 0.00 ATOM 74 CD1 ILE A 10 2.223 -2.482 -5.091 1.00 0.00 ATOM 75 O ILE A 10 -2.552 -0.942 -2.127 1.00 0.00 ATOM 76 C ILE A 10 -2.288 -1.904 -2.847 1.00 0.00 ATOM 77 N ASN A 11 -3.160 -2.437 -3.708 1.00 0.00 ATOM 78 CA ASN A 11 -4.510 -1.903 -3.857 1.00 0.00 ATOM 79 CB ASN A 11 -5.301 -2.713 -4.884 1.00 0.00 ATOM 80 CG ASN A 11 -4.869 -2.428 -6.309 1.00 0.00 ATOM 81 ND2 ASN A 11 -5.194 -3.338 -7.219 1.00 0.00 ATOM 82 OD1 ASN A 11 -4.251 -1.401 -6.587 1.00 0.00 ATOM 83 O ASN A 11 -5.914 -0.988 -2.129 1.00 0.00 ATOM 84 C ASN A 11 -5.285 -1.967 -2.528 1.00 0.00 ATOM 85 N GLU A 12 -5.209 -3.097 -1.843 1.00 0.00 ATOM 86 CA GLU A 12 -5.923 -3.260 -0.562 1.00 0.00 ATOM 87 CB GLU A 12 -5.653 -4.644 0.030 1.00 0.00 ATOM 88 CG GLU A 12 -6.386 -4.916 1.335 1.00 0.00 ATOM 89 CD GLU A 12 -6.122 -6.308 1.872 1.00 0.00 ATOM 90 OE1 GLU A 12 -5.376 -7.066 1.217 1.00 0.00 ATOM 91 OE2 GLU A 12 -6.662 -6.641 2.948 1.00 0.00 ATOM 92 O GLU A 12 -6.321 -1.588 1.114 1.00 0.00 ATOM 93 C GLU A 12 -5.483 -2.219 0.467 1.00 0.00 ATOM 94 N LEU A 13 -4.180 -2.047 0.603 1.00 0.00 ATOM 95 CA LEU A 13 -3.645 -1.073 1.552 1.00 0.00 ATOM 96 CB LEU A 13 -2.092 -1.232 1.650 1.00 0.00 ATOM 97 CG LEU A 13 -1.618 -2.623 2.147 1.00 0.00 ATOM 98 CD1 LEU A 13 -0.090 -2.616 2.205 1.00 0.00 ATOM 99 CD2 LEU A 13 -2.146 -2.999 3.547 1.00 0.00 ATOM 100 O LEU A 13 -4.284 1.172 2.068 1.00 0.00 ATOM 101 C LEU A 13 -4.033 0.357 1.197 1.00 0.00 ATOM 102 N ALA A 14 -4.014 0.659 -0.084 1.00 0.00 ATOM 103 CA ALA A 14 -4.488 1.921 -0.575 1.00 0.00 ATOM 104 CB ALA A 14 -4.369 1.979 -2.092 1.00 0.00 ATOM 105 O ALA A 14 -6.327 3.304 0.151 1.00 0.00 ATOM 106 C ALA A 14 -5.965 2.166 -0.201 1.00 0.00 ATOM 107 N ALA A 15 -6.816 1.150 -0.286 1.00 0.00 ATOM 108 CA ALA A 15 -8.230 1.363 0.118 1.00 0.00 ATOM 109 CB ALA A 15 -9.039 0.092 -0.091 1.00 0.00 ATOM 110 O ALA A 15 -9.010 2.657 1.979 1.00 0.00 ATOM 111 C ALA A 15 -8.283 1.741 1.595 1.00 0.00 ATOM 112 N LYS A 16 -7.489 1.072 2.447 1.00 0.00 ATOM 113 CA LYS A 16 -7.433 1.402 3.868 1.00 0.00 ATOM 114 CB LYS A 16 -6.515 0.414 4.590 1.00 0.00 ATOM 115 CG LYS A 16 -7.091 -0.987 4.721 1.00 0.00 ATOM 116 CD LYS A 16 -6.131 -1.915 5.448 1.00 0.00 ATOM 117 CE LYS A 16 -6.696 -3.320 5.558 1.00 0.00 ATOM 118 NZ LYS A 16 -5.751 -4.247 6.238 1.00 0.00 ATOM 119 O LYS A 16 -7.367 3.536 4.989 1.00 0.00 ATOM 120 C LYS A 16 -6.875 2.808 4.117 1.00 0.00 ATOM 121 N ALA A 17 -5.809 3.124 3.353 1.00 0.00 ATOM 122 CA ALA A 17 -5.256 4.479 3.430 1.00 0.00 ATOM 123 CB ALA A 17 -4.042 4.608 2.525 1.00 0.00 ATOM 124 O ALA A 17 -6.453 6.508 3.662 1.00 0.00 ATOM 125 C ALA A 17 -6.318 5.487 2.990 1.00 0.00 ATOM 126 N LYS A 18 -7.139 5.263 1.959 1.00 0.00 ATOM 127 CA LYS A 18 -8.185 6.219 1.596 1.00 0.00 ATOM 128 CB LYS A 18 -8.793 5.857 0.240 1.00 0.00 ATOM 129 CG LYS A 18 -7.859 6.082 -0.938 1.00 0.00 ATOM 130 CD LYS A 18 -8.527 5.707 -2.252 1.00 0.00 ATOM 131 CE LYS A 18 -7.582 5.900 -3.427 1.00 0.00 ATOM 132 NZ LYS A 18 -8.216 5.513 -4.718 1.00 0.00 ATOM 133 O LYS A 18 -9.880 7.293 2.881 1.00 0.00 ATOM 134 C LYS A 18 -9.300 6.229 2.629 1.00 0.00 ATOM 135 N ALA A 19 -9.689 5.108 3.244 1.00 0.00 ATOM 136 CA ALA A 19 -10.702 5.066 4.263 1.00 0.00 ATOM 137 CB ALA A 19 -11.110 3.628 4.545 1.00 0.00 ATOM 138 O ALA A 19 -11.155 5.902 6.484 1.00 0.00 ATOM 139 C ALA A 19 -10.301 5.708 5.600 1.00 0.00 ATOM 140 N GLY A 20 -8.996 5.876 5.863 1.00 0.00 ATOM 141 CA GLY A 20 -8.632 6.391 7.162 1.00 0.00 ATOM 142 O GLY A 20 -8.605 5.504 9.394 1.00 0.00 ATOM 143 C GLY A 20 -8.501 5.266 8.187 1.00 0.00 ATOM 144 N VAL A 21 -8.239 3.972 7.738 1.00 0.00 ATOM 145 CA VAL A 21 -8.217 2.785 8.595 1.00 0.00 ATOM 146 CB VAL A 21 -9.227 1.707 8.162 1.00 0.00 ATOM 147 CG1 VAL A 21 -10.651 2.227 8.289 1.00 0.00 ATOM 148 CG2 VAL A 21 -8.990 1.307 6.713 1.00 0.00 ATOM 149 O VAL A 21 -6.736 0.855 8.700 1.00 0.00 ATOM 150 C VAL A 21 -6.843 2.096 8.638 1.00 0.00 ATOM 151 N ILE A 22 -5.758 2.852 8.579 1.00 0.00 ATOM 152 CA ILE A 22 -4.455 2.269 8.682 1.00 0.00 ATOM 153 CB ILE A 22 -3.650 2.467 7.383 1.00 0.00 ATOM 154 CG1 ILE A 22 -3.479 3.959 7.086 1.00 0.00 ATOM 155 CG2 ILE A 22 -4.365 1.819 6.209 1.00 0.00 ATOM 156 CD1 ILE A 22 -2.531 4.247 5.941 1.00 0.00 ATOM 157 O ILE A 22 -4.061 4.065 10.136 1.00 0.00 ATOM 158 C ILE A 22 -3.773 2.923 9.822 1.00 0.00 ATOM 159 N THR A 23 -2.845 2.192 10.423 1.00 0.00 ATOM 160 CA THR A 23 -1.945 2.734 11.420 1.00 0.00 ATOM 161 CB THR A 23 -1.251 1.617 12.221 1.00 0.00 ATOM 162 CG2 THR A 23 -2.283 0.728 12.899 1.00 0.00 ATOM 163 OG1 THR A 23 -0.456 0.815 11.340 1.00 0.00 ATOM 164 O THR A 23 -0.765 3.628 9.516 1.00 0.00 ATOM 165 C THR A 23 -0.852 3.556 10.751 1.00 0.00 ATOM 166 N GLU A 24 -0.002 4.151 11.573 1.00 0.00 ATOM 167 CA GLU A 24 1.074 4.990 11.076 1.00 0.00 ATOM 168 CB GLU A 24 1.811 5.658 12.239 1.00 0.00 ATOM 169 CG GLU A 24 0.997 6.718 12.961 1.00 0.00 ATOM 170 CD GLU A 24 1.701 7.257 14.190 1.00 0.00 ATOM 171 OE1 GLU A 24 2.796 6.751 14.517 1.00 0.00 ATOM 172 OE2 GLU A 24 1.160 8.185 14.828 1.00 0.00 ATOM 173 O GLU A 24 2.482 4.625 9.185 1.00 0.00 ATOM 174 C GLU A 24 2.095 4.197 10.271 1.00 0.00 ATOM 175 N GLU A 25 2.520 3.043 10.792 1.00 0.00 ATOM 176 CA GLU A 25 3.463 2.198 10.069 1.00 0.00 ATOM 177 CB GLU A 25 3.801 0.950 10.887 1.00 0.00 ATOM 178 CG GLU A 25 4.652 1.226 12.117 1.00 0.00 ATOM 179 CD GLU A 25 4.862 -0.012 12.967 1.00 0.00 ATOM 180 OE1 GLU A 25 4.283 -1.067 12.635 1.00 0.00 ATOM 181 OE2 GLU A 25 5.608 0.075 13.967 1.00 0.00 ATOM 182 O GLU A 25 3.558 1.660 7.721 1.00 0.00 ATOM 183 C GLU A 25 2.861 1.715 8.744 1.00 0.00 ATOM 184 N GLU A 26 1.597 1.349 8.770 1.00 0.00 ATOM 185 CA GLU A 26 0.949 0.894 7.574 1.00 0.00 ATOM 186 CB GLU A 26 -0.460 0.388 7.893 1.00 0.00 ATOM 187 CG GLU A 26 -0.490 -0.884 8.726 1.00 0.00 ATOM 188 CD GLU A 26 -1.898 -1.304 9.099 1.00 0.00 ATOM 189 OE1 GLU A 26 -2.847 -0.565 8.759 1.00 0.00 ATOM 190 OE2 GLU A 26 -2.052 -2.370 9.730 1.00 0.00 ATOM 191 O GLU A 26 0.970 1.700 5.323 1.00 0.00 ATOM 192 C GLU A 26 0.842 1.979 6.510 1.00 0.00 ATOM 193 N LYS A 27 0.626 3.218 6.938 1.00 0.00 ATOM 194 CA LYS A 27 0.553 4.339 6.001 1.00 0.00 ATOM 195 CB LYS A 27 0.241 5.640 6.744 1.00 0.00 ATOM 196 CG LYS A 27 0.092 6.853 5.838 1.00 0.00 ATOM 197 CD LYS A 27 -0.294 8.090 6.632 1.00 0.00 ATOM 198 CE LYS A 27 -0.412 9.309 5.731 1.00 0.00 ATOM 199 NZ LYS A 27 -0.777 10.532 6.497 1.00 0.00 ATOM 200 O LYS A 27 1.927 4.593 4.048 1.00 0.00 ATOM 201 C LYS A 27 1.894 4.482 5.271 1.00 0.00 ATOM 202 N ALA A 28 2.987 4.418 6.045 1.00 0.00 ATOM 203 CA ALA A 28 4.326 4.481 5.481 1.00 0.00 ATOM 204 CB ALA A 28 5.366 4.548 6.590 1.00 0.00 ATOM 205 O ALA A 28 5.201 3.401 3.533 1.00 0.00 ATOM 206 C ALA A 28 4.617 3.257 4.616 1.00 0.00 ATOM 207 N GLU A 29 4.221 2.074 5.073 1.00 0.00 ATOM 208 CA GLU A 29 4.408 0.871 4.267 1.00 0.00 ATOM 209 CB GLU A 29 3.974 -0.370 5.049 1.00 0.00 ATOM 210 CG GLU A 29 4.885 -0.721 6.212 1.00 0.00 ATOM 211 CD GLU A 29 4.360 -1.879 7.037 1.00 0.00 ATOM 212 OE1 GLU A 29 3.246 -2.362 6.741 1.00 0.00 ATOM 213 OE2 GLU A 29 5.060 -2.305 7.979 1.00 0.00 ATOM 214 O GLU A 29 4.065 0.505 1.945 1.00 0.00 ATOM 215 C GLU A 29 3.589 0.943 2.970 1.00 0.00 ATOM 216 N GLN A 30 2.377 1.484 3.042 1.00 0.00 ATOM 217 CA GLN A 30 1.540 1.630 1.841 1.00 0.00 ATOM 218 CB GLN A 30 0.181 2.195 2.207 1.00 0.00 ATOM 219 CG GLN A 30 -0.642 1.251 3.076 1.00 0.00 ATOM 220 CD GLN A 30 -2.014 1.800 3.424 1.00 0.00 ATOM 221 OE1 GLN A 30 -2.352 2.924 3.052 1.00 0.00 ATOM 222 NE2 GLN A 30 -2.810 1.009 4.137 1.00 0.00 ATOM 223 O GLN A 30 2.168 2.304 -0.369 1.00 0.00 ATOM 224 C GLN A 30 2.202 2.562 0.832 1.00 0.00 ATOM 225 N GLN A 31 2.821 3.636 1.323 1.00 0.00 ATOM 226 CA GLN A 31 3.528 4.589 0.465 1.00 0.00 ATOM 227 CB GLN A 31 3.978 5.801 1.288 1.00 0.00 ATOM 228 CG GLN A 31 2.851 6.646 1.772 1.00 0.00 ATOM 229 CD GLN A 31 3.332 7.941 2.371 1.00 0.00 ATOM 230 OE1 GLN A 31 4.491 8.326 2.202 1.00 0.00 ATOM 231 NE2 GLN A 31 2.445 8.625 3.088 1.00 0.00 ATOM 232 O GLN A 31 4.923 4.048 -1.407 1.00 0.00 ATOM 233 C GLN A 31 4.721 3.910 -0.203 1.00 0.00 ATOM 234 N LYS A 32 5.505 3.172 0.580 1.00 0.00 ATOM 235 CA LYS A 32 6.598 2.389 0.019 1.00 0.00 ATOM 236 CB LYS A 32 7.333 1.625 1.122 1.00 0.00 ATOM 237 CG LYS A 32 8.533 0.828 0.630 1.00 0.00 ATOM 238 CD LYS A 32 9.257 0.155 1.784 1.00 0.00 ATOM 239 CE LYS A 32 10.425 -0.682 1.288 1.00 0.00 ATOM 240 NZ LYS A 32 11.130 -1.368 2.407 1.00 0.00 ATOM 241 O LYS A 32 6.638 1.228 -2.071 1.00 0.00 ATOM 242 C LYS A 32 6.082 1.396 -0.998 1.00 0.00 ATOM 243 N LEU A 33 4.967 0.753 -0.684 1.00 0.00 ATOM 244 CA LEU A 33 4.375 -0.205 -1.575 1.00 0.00 ATOM 245 CB LEU A 33 3.333 -1.052 -0.741 1.00 0.00 ATOM 246 CG LEU A 33 3.865 -2.017 0.322 1.00 0.00 ATOM 247 CD1 LEU A 33 2.707 -2.728 0.990 1.00 0.00 ATOM 248 CD2 LEU A 33 4.845 -3.031 -0.240 1.00 0.00 ATOM 249 O LEU A 33 3.848 -0.177 -3.912 1.00 0.00 ATOM 250 C LEU A 33 3.810 0.430 -2.841 1.00 0.00 ATOM 251 N ARG A 34 3.304 1.654 -2.708 1.00 0.00 ATOM 252 CA ARG A 34 2.729 2.349 -3.873 1.00 0.00 ATOM 253 CB ARG A 34 1.990 3.631 -3.383 1.00 0.00 ATOM 254 CG ARG A 34 0.739 3.368 -2.548 1.00 0.00 ATOM 255 CD ARG A 34 0.092 4.673 -2.085 1.00 0.00 ATOM 256 NE ARG A 34 -0.306 5.513 -3.214 1.00 0.00 ATOM 257 CZ ARG A 34 -1.561 5.730 -3.596 1.00 0.00 ATOM 258 NH1 ARG A 34 -2.571 5.175 -2.941 1.00 0.00 ATOM 259 NH2 ARG A 34 -1.807 6.506 -4.647 1.00 0.00 ATOM 260 O ARG A 34 3.636 2.528 -6.098 1.00 0.00 ATOM 261 C ARG A 34 3.824 2.694 -4.882 1.00 0.00 ATOM 262 N GLN A 35 4.975 3.145 -4.387 1.00 0.00 ATOM 263 CA GLN A 35 6.081 3.502 -5.281 1.00 0.00 ATOM 264 CB GLN A 35 7.205 4.176 -4.491 1.00 0.00 ATOM 265 CG GLN A 35 6.849 5.554 -3.956 1.00 0.00 ATOM 266 CD GLN A 35 7.943 6.142 -3.088 1.00 0.00 ATOM 267 OE1 GLN A 35 8.940 5.482 -2.796 1.00 0.00 ATOM 268 NE2 GLN A 35 7.760 7.390 -2.674 1.00 0.00 ATOM 269 O GLN A 35 6.911 2.358 -7.195 1.00 0.00 ATOM 270 C GLN A 35 6.658 2.301 -5.999 1.00 0.00 ATOM 271 N GLU A 36 6.865 1.201 -5.277 1.00 0.00 ATOM 272 CA GLU A 36 7.338 -0.028 -5.909 1.00 0.00 ATOM 273 CB GLU A 36 7.525 -1.130 -4.865 1.00 0.00 ATOM 274 CG GLU A 36 8.694 -0.899 -3.921 1.00 0.00 ATOM 275 CD GLU A 36 8.774 -1.945 -2.827 1.00 0.00 ATOM 276 OE1 GLU A 36 7.874 -2.808 -2.762 1.00 0.00 ATOM 277 OE2 GLU A 36 9.739 -1.902 -2.034 1.00 0.00 ATOM 278 O GLU A 36 6.803 -1.070 -7.970 1.00 0.00 ATOM 279 C GLU A 36 6.379 -0.545 -6.952 1.00 0.00 ATOM 280 N TYR A 37 5.077 -0.420 -6.702 1.00 0.00 ATOM 281 CA TYR A 37 4.100 -0.818 -7.707 1.00 0.00 ATOM 282 CB TYR A 37 2.677 -0.653 -7.167 1.00 0.00 ATOM 283 CG TYR A 37 1.598 -1.019 -8.161 1.00 0.00 ATOM 284 CD1 TYR A 37 1.280 -2.348 -8.409 1.00 0.00 ATOM 285 CD2 TYR A 37 0.901 -0.034 -8.848 1.00 0.00 ATOM 286 CE1 TYR A 37 0.295 -2.692 -9.315 1.00 0.00 ATOM 287 CE2 TYR A 37 -0.086 -0.358 -9.759 1.00 0.00 ATOM 288 CZ TYR A 37 -0.386 -1.700 -9.988 1.00 0.00 ATOM 289 OH TYR A 37 -1.367 -2.040 -10.892 1.00 0.00 ATOM 290 O TYR A 37 3.957 -0.534 -10.062 1.00 0.00 ATOM 291 C TYR A 37 4.166 0.003 -8.982 1.00 0.00 ATOM 292 N LEU A 38 4.404 1.307 -8.875 1.00 0.00 ATOM 293 CA LEU A 38 4.496 2.106 -10.093 1.00 0.00 ATOM 294 CB LEU A 38 4.831 3.560 -9.753 1.00 0.00 ATOM 295 CG LEU A 38 3.723 4.373 -9.083 1.00 0.00 ATOM 296 CD1 LEU A 38 4.246 5.726 -8.631 1.00 0.00 ATOM 297 CD2 LEU A 38 2.570 4.607 -10.048 1.00 0.00 ATOM 298 O LEU A 38 5.390 1.292 -12.179 1.00 0.00 ATOM 299 C LEU A 38 5.597 1.532 -10.979 1.00 0.00 ATOM 300 N LYS A 39 6.795 1.365 -10.412 1.00 0.00 ATOM 301 CA LYS A 39 7.947 0.889 -11.174 1.00 0.00 ATOM 302 CB LYS A 39 9.201 0.879 -10.297 1.00 0.00 ATOM 303 CG LYS A 39 10.462 0.444 -11.023 1.00 0.00 ATOM 304 CD LYS A 39 11.678 0.526 -10.114 1.00 0.00 ATOM 305 CE LYS A 39 12.933 0.044 -10.825 1.00 0.00 ATOM 306 NZ LYS A 39 14.129 0.095 -9.940 1.00 0.00 ATOM 307 O LYS A 39 7.936 -0.818 -12.862 1.00 0.00 ATOM 308 C LYS A 39 7.711 -0.527 -11.701 1.00 0.00 ATOM 309 N GLY A 40 7.227 -1.408 -10.842 1.00 0.00 ATOM 310 CA GLY A 40 6.973 -2.773 -11.217 1.00 0.00 ATOM 311 O GLY A 40 5.994 -3.727 -13.195 1.00 0.00 ATOM 312 C GLY A 40 5.878 -2.920 -12.237 1.00 0.00 ATOM 313 N PHE A 41 4.872 -2.083 -12.116 1.00 0.00 ATOM 314 CA PHE A 41 3.720 -2.127 -13.035 1.00 0.00 ATOM 315 CB PHE A 41 2.616 -1.222 -12.613 1.00 0.00 ATOM 316 CG PHE A 41 1.411 -1.371 -13.463 1.00 0.00 ATOM 317 CD1 PHE A 41 0.549 -2.442 -13.270 1.00 0.00 ATOM 318 CD2 PHE A 41 1.162 -0.487 -14.491 1.00 0.00 ATOM 319 CE1 PHE A 41 -0.574 -2.608 -14.086 1.00 0.00 ATOM 320 CE2 PHE A 41 0.052 -0.640 -15.305 1.00 0.00 ATOM 321 CZ PHE A 41 -0.815 -1.724 -15.097 1.00 0.00 ATOM 322 O PHE A 41 3.701 -2.456 -15.413 1.00 0.00 ATOM 323 C PHE A 41 4.105 -1.781 -14.471 1.00 0.00 ATOM 324 N ARG A 42 4.849 -0.700 -14.607 1.00 0.00 ATOM 325 CA ARG A 42 5.260 -0.247 -15.932 1.00 0.00 ATOM 326 CB ARG A 42 5.991 1.093 -15.844 1.00 0.00 ATOM 327 CG ARG A 42 6.378 1.680 -17.193 1.00 0.00 ATOM 328 CD ARG A 42 6.988 3.063 -17.040 1.00 0.00 ATOM 329 NE ARG A 42 7.365 3.641 -18.327 1.00 0.00 ATOM 330 CZ ARG A 42 7.976 4.813 -18.470 1.00 0.00 ATOM 331 NH1 ARG A 42 8.280 5.258 -19.681 1.00 0.00 ATOM 332 NH2 ARG A 42 8.281 5.535 -17.402 1.00 0.00 ATOM 333 O ARG A 42 5.987 -1.585 -17.783 1.00 0.00 ATOM 334 C ARG A 42 6.157 -1.278 -16.602 1.00 0.00 ATOM 335 N SER A 43 7.087 -1.858 -15.857 1.00 0.00 ATOM 336 CA SER A 43 7.955 -2.893 -16.382 1.00 0.00 ATOM 337 CB SER A 43 9.071 -3.223 -15.402 1.00 0.00 ATOM 338 OG SER A 43 8.557 -3.603 -14.139 1.00 0.00 ATOM 339 O SER A 43 7.377 -4.822 -17.675 1.00 0.00 ATOM 340 C SER A 43 7.127 -4.141 -16.683 1.00 0.00 ATOM 341 N SER A 44 6.088 -4.399 -15.867 1.00 0.00 ATOM 342 CA SER A 44 5.274 -5.584 -16.121 1.00 0.00 ATOM 343 CB SER A 44 4.263 -5.928 -15.025 1.00 0.00 ATOM 344 OG SER A 44 3.421 -4.808 -14.801 1.00 0.00 ATOM 345 O SER A 44 4.327 -6.410 -18.171 1.00 0.00 ATOM 346 C SER A 44 4.479 -5.422 -17.418 1.00 0.00 ATOM 347 N MET A 45 3.990 -4.216 -17.700 1.00 0.00 ATOM 348 CA MET A 45 3.243 -3.984 -18.940 1.00 0.00 ATOM 349 CB MET A 45 2.674 -2.564 -18.965 1.00 0.00 ATOM 350 CG MET A 45 1.823 -2.258 -20.186 1.00 0.00 ATOM 351 SD MET A 45 1.175 -0.575 -20.178 1.00 0.00 ATOM 352 CE MET A 45 2.663 0.362 -20.524 1.00 0.00 ATOM 353 O MET A 45 3.712 -4.663 -21.198 1.00 0.00 ATOM 354 C MET A 45 4.151 -4.183 -20.162 1.00 0.00 ATOM 355 N LYS A 46 5.408 -3.745 -20.049 1.00 0.00 ATOM 356 CA LYS A 46 6.414 -3.990 -21.095 1.00 0.00 ATOM 357 CB LYS A 46 7.784 -3.465 -20.659 1.00 0.00 ATOM 358 CG LYS A 46 7.878 -1.949 -20.598 1.00 0.00 ATOM 359 CD LYS A 46 9.262 -1.498 -20.159 1.00 0.00 ATOM 360 CE LYS A 46 9.348 0.017 -20.075 1.00 0.00 ATOM 361 NZ LYS A 46 10.689 0.473 -19.616 1.00 0.00 ATOM 362 O LYS A 46 6.571 -5.916 -22.522 1.00 0.00 ATOM 363 C LYS A 46 6.532 -5.493 -21.362 1.00 0.00 ATOM 364 N ASN A 47 6.546 -6.294 -20.294 1.00 0.00 ATOM 365 CA ASN A 47 6.602 -7.763 -20.438 1.00 0.00 ATOM 366 CB ASN A 47 6.708 -8.432 -19.065 1.00 0.00 ATOM 367 CG ASN A 47 8.081 -8.269 -18.443 1.00 0.00 ATOM 368 ND2 ASN A 47 8.157 -8.443 -17.128 1.00 0.00 ATOM 369 OD1 ASN A 47 9.059 -7.992 -19.137 1.00 0.00 ATOM 370 O ASN A 47 5.474 -9.130 -22.052 1.00 0.00 ATOM 371 C ASN A 47 5.367 -8.299 -21.152 1.00 0.00 ATOM 372 N THR A 48 4.178 -7.793 -20.785 1.00 0.00 ATOM 373 CA THR A 48 2.934 -8.212 -21.415 1.00 0.00 ATOM 374 CB THR A 48 1.715 -7.652 -20.636 1.00 0.00 ATOM 375 CG2 THR A 48 0.384 -8.053 -21.256 1.00 0.00 ATOM 376 OG1 THR A 48 1.750 -8.213 -19.316 1.00 0.00 ATOM 377 O THR A 48 2.484 -8.610 -23.739 1.00 0.00 ATOM 378 C THR A 48 2.922 -7.834 -22.895 1.00 0.00 ATOM 379 N LEU A 49 3.487 -6.645 -23.235 1.00 0.00 ATOM 380 CA LEU A 49 3.520 -6.169 -24.616 1.00 0.00 ATOM 381 CB LEU A 49 4.068 -4.756 -24.714 1.00 0.00 ATOM 382 CG LEU A 49 3.991 -4.160 -26.115 1.00 0.00 ATOM 383 CD1 LEU A 49 2.557 -4.079 -26.639 1.00 0.00 ATOM 384 CD2 LEU A 49 4.621 -2.784 -26.130 1.00 0.00 ATOM 385 O LEU A 49 4.046 -7.419 -26.563 1.00 0.00 ATOM 386 C LEU A 49 4.436 -7.038 -25.476 1.00 0.00 ATOM 387 N LYS A 50 5.635 -7.362 -24.979 1.00 0.00 ATOM 388 CA LYS A 50 6.574 -8.267 -25.702 1.00 0.00 ATOM 389 CB LYS A 50 7.872 -8.435 -24.910 1.00 0.00 ATOM 390 CG LYS A 50 8.746 -7.191 -24.879 1.00 0.00 ATOM 391 CD LYS A 50 10.017 -7.428 -24.080 1.00 0.00 ATOM 392 CE LYS A 50 10.878 -6.178 -24.028 1.00 0.00 ATOM 393 NZ LYS A 50 12.112 -6.386 -23.221 1.00 0.00 ATOM 394 O LYS A 50 6.124 -10.250 -26.961 1.00 0.00 ATOM 395 C LYS A 50 5.975 -9.634 -25.905 1.00 0.00 ATOM 396 N SER A 51 5.320 -10.123 -24.864 1.00 0.00 ATOM 397 CA SER A 51 4.642 -11.408 -24.912 1.00 0.00 ATOM 398 CB SER A 51 3.958 -11.704 -23.575 1.00 0.00 ATOM 399 OG SER A 51 4.912 -11.876 -22.541 1.00 0.00 ATOM 400 O SER A 51 3.493 -12.411 -26.802 1.00 0.00 ATOM 401 C SER A 51 3.560 -11.450 -26.025 1.00 0.00 ATOM 402 N VAL A 52 2.754 -10.393 -26.113 1.00 0.00 ATOM 403 CA VAL A 52 1.802 -10.202 -27.209 1.00 0.00 ATOM 404 CB VAL A 52 1.031 -8.876 -27.064 1.00 0.00 ATOM 405 CG1 VAL A 52 0.191 -8.610 -28.305 1.00 0.00 ATOM 406 CG2 VAL A 52 0.104 -8.929 -25.859 1.00 0.00 ATOM 407 O VAL A 52 2.036 -10.784 -29.520 1.00 0.00 ATOM 408 C VAL A 52 2.503 -10.160 -28.545 1.00 0.00 ATOM 409 N LYS A 53 3.680 -9.384 -28.715 1.00 0.00 ATOM 410 CA LYS A 53 4.416 -9.323 -29.975 1.00 0.00 ATOM 411 CB LYS A 53 5.742 -8.591 -29.759 1.00 0.00 ATOM 412 CG LYS A 53 6.598 -8.476 -31.011 1.00 0.00 ATOM 413 CD LYS A 53 7.867 -7.685 -30.740 1.00 0.00 ATOM 414 CE LYS A 53 8.745 -7.612 -31.979 1.00 0.00 ATOM 415 NZ LYS A 53 9.984 -6.822 -31.735 1.00 0.00 ATOM 416 O LYS A 53 4.455 -11.054 -31.631 1.00 0.00 ATOM 417 C LYS A 53 4.720 -10.742 -30.467 1.00 0.00 ATOM 418 N ILE A 54 5.277 -11.585 -29.593 1.00 0.00 ATOM 419 CA ILE A 54 5.668 -12.920 -30.017 1.00 0.00 ATOM 420 CB ILE A 54 6.474 -13.610 -28.915 1.00 0.00 ATOM 421 CG1 ILE A 54 7.809 -12.893 -28.742 1.00 0.00 ATOM 422 CG2 ILE A 54 6.659 -15.092 -29.203 1.00 0.00 ATOM 423 CD1 ILE A 54 8.567 -13.268 -27.500 1.00 0.00 ATOM 424 O ILE A 54 4.384 -14.451 -31.354 1.00 0.00 ATOM 425 C ILE A 54 4.413 -13.727 -30.340 1.00 0.00 ATOM 426 N ILE A 55 3.298 -13.709 -29.493 1.00 0.00 ATOM 427 CA ILE A 55 2.104 -14.488 -29.809 1.00 0.00 ATOM 428 CB ILE A 55 1.103 -14.302 -28.577 1.00 0.00 ATOM 429 CG1 ILE A 55 1.705 -14.864 -27.289 1.00 0.00 ATOM 430 CG2 ILE A 55 -0.232 -14.994 -28.851 1.00 0.00 ATOM 431 CD1 ILE A 55 1.937 -16.350 -27.319 1.00 0.00 ATOM 432 O ILE A 55 0.928 -14.887 -31.863 1.00 0.00 ATOM 433 C ILE A 55 1.484 -14.064 -31.140 1.00 0.00 ATOM 434 N ASP A 56 1.572 -12.760 -31.468 1.00 0.00 ATOM 435 CA ASP A 56 1.015 -12.244 -32.716 1.00 0.00 ATOM 436 CB ASP A 56 1.263 -10.746 -32.928 1.00 0.00 ATOM 437 CG ASP A 56 0.510 -10.213 -34.156 1.00 0.00 ATOM 438 OD1 ASP A 56 -0.714 -10.442 -34.264 1.00 0.00 ATOM 439 OD2 ASP A 56 1.119 -9.565 -35.021 1.00 0.00 ATOM 440 O ASP A 56 0.968 -13.255 -34.849 1.00 0.00 ATOM 441 C ASP A 56 1.653 -12.999 -33.911 1.00 0.00 ATOM 442 N PRO A 57 2.955 -13.308 -33.842 1.00 0.00 ATOM 443 CA PRO A 57 3.557 -14.132 -34.934 1.00 0.00 ATOM 444 CB PRO A 57 5.036 -14.255 -34.613 1.00 0.00 ATOM 445 CG PRO A 57 5.307 -13.011 -33.797 1.00 0.00 ATOM 446 CD PRO A 57 4.045 -12.885 -32.959 1.00 0.00 ATOM 447 O PRO A 57 2.621 -15.712 -36.473 1.00 0.00 ATOM 448 C PRO A 57 2.810 -15.424 -35.279 1.00 0.00 ATOM 449 N GLU A 58 2.193 -16.036 -34.266 1.00 0.00 ATOM 450 CA GLU A 58 1.369 -17.226 -34.430 1.00 0.00 ATOM 451 CB GLU A 58 1.453 -18.106 -33.152 1.00 0.00 ATOM 452 CG GLU A 58 0.820 -19.514 -33.257 1.00 0.00 ATOM 453 CD GLU A 58 1.379 -20.384 -34.386 1.00 0.00 ATOM 454 OE1 GLU A 58 0.590 -21.072 -35.063 1.00 0.00 ATOM 455 OE2 GLU A 58 2.603 -20.402 -34.584 1.00 0.00 ATOM 456 O GLU A 58 -0.897 -16.438 -34.316 1.00 0.00 ATOM 457 C GLU A 58 -0.021 -16.960 -35.005 1.00 0.00 ATOM 458 N GLY A 59 -0.139 -17.213 -36.375 1.00 0.00 ATOM 459 CA GLY A 59 -1.391 -16.972 -37.071 1.00 0.00 ATOM 460 O GLY A 59 -3.732 -17.398 -36.954 1.00 0.00 ATOM 461 C GLY A 59 -2.588 -17.711 -36.531 1.00 0.00 ATOM 462 N ASN A 60 -2.394 -18.646 -35.542 1.00 0.00 ATOM 463 CA ASN A 60 -3.564 -19.265 -34.863 1.00 0.00 ATOM 464 CB ASN A 60 -3.272 -20.723 -34.500 1.00 0.00 ATOM 465 CG ASN A 60 -3.203 -21.624 -35.716 1.00 0.00 ATOM 466 ND2 ASN A 60 -2.444 -22.708 -35.606 1.00 0.00 ATOM 467 OD1 ASN A 60 -3.826 -21.348 -36.742 1.00 0.00 ATOM 468 O ASN A 60 -4.918 -18.928 -32.897 1.00 0.00 ATOM 469 C ASN A 60 -3.974 -18.515 -33.579 1.00 0.00 ATOM 470 N ASP A 61 -3.317 -17.388 -33.291 1.00 0.00 ATOM 471 CA ASP A 61 -3.681 -16.566 -32.138 1.00 0.00 ATOM 472 CB ASP A 61 -2.440 -16.328 -31.254 1.00 0.00 ATOM 473 CG ASP A 61 -1.915 -17.579 -30.519 1.00 0.00 ATOM 474 OD1 ASP A 61 -2.685 -18.532 -30.241 1.00 0.00 ATOM 475 OD2 ASP A 61 -0.707 -17.654 -30.167 1.00 0.00 ATOM 476 O ASP A 61 -3.765 -14.468 -33.338 1.00 0.00 ATOM 477 C ASP A 61 -4.281 -15.202 -32.488 1.00 0.00 ATOM 478 N VAL A 62 -5.351 -14.854 -31.782 1.00 0.00 ATOM 479 CA VAL A 62 -5.859 -13.492 -31.795 1.00 0.00 ATOM 480 CB VAL A 62 -7.426 -13.462 -32.026 1.00 0.00 ATOM 481 CG1 VAL A 62 -7.803 -14.346 -33.165 1.00 0.00 ATOM 482 CG2 VAL A 62 -8.061 -14.197 -30.868 1.00 0.00 ATOM 483 O VAL A 62 -5.790 -13.269 -29.404 1.00 0.00 ATOM 484 C VAL A 62 -5.428 -12.825 -30.488 1.00 0.00 ATOM 485 N THR A 63 -4.599 -11.797 -30.595 1.00 0.00 ATOM 486 CA THR A 63 -4.082 -11.119 -29.410 1.00 0.00 ATOM 487 CB THR A 63 -2.615 -10.690 -29.599 1.00 0.00 ATOM 488 CG2 THR A 63 -1.734 -11.902 -29.855 1.00 0.00 ATOM 489 OG1 THR A 63 -2.516 -9.798 -30.717 1.00 0.00 ATOM 490 O THR A 63 -4.475 -9.098 -28.202 1.00 0.00 ATOM 491 C THR A 63 -4.895 -9.854 -29.055 1.00 0.00 ATOM 492 N PRO A 64 -5.995 -9.587 -29.767 1.00 0.00 ATOM 493 CA PRO A 64 -6.749 -8.343 -29.547 1.00 0.00 ATOM 494 CB PRO A 64 -7.885 -8.378 -30.536 1.00 0.00 ATOM 495 CG PRO A 64 -7.289 -9.105 -31.695 1.00 0.00 ATOM 496 CD PRO A 64 -6.372 -10.155 -31.104 1.00 0.00 ATOM 497 O PRO A 64 -7.241 -7.171 -27.519 1.00 0.00 ATOM 498 C PRO A 64 -7.231 -8.272 -28.110 1.00 0.00 ATOM 499 N GLU A 65 -7.685 -9.349 -27.485 1.00 0.00 ATOM 500 CA GLU A 65 -8.141 -9.363 -26.095 1.00 0.00 ATOM 501 CB GLU A 65 -8.651 -10.708 -25.696 1.00 0.00 ATOM 502 CG GLU A 65 -9.983 -11.038 -26.356 1.00 0.00 ATOM 503 CD GLU A 65 -10.383 -12.489 -26.166 1.00 0.00 ATOM 504 OE1 GLU A 65 -9.677 -13.213 -25.429 1.00 0.00 ATOM 505 OE2 GLU A 65 -11.402 -12.909 -26.760 1.00 0.00 ATOM 506 O GLU A 65 -7.146 -8.133 -24.270 1.00 0.00 ATOM 507 C GLU A 65 -6.989 -8.969 -25.169 1.00 0.00 ATOM 508 N LYS A 66 -5.817 -9.554 -25.412 1.00 0.00 ATOM 509 CA LYS A 66 -4.622 -9.239 -24.614 1.00 0.00 ATOM 510 CB LYS A 66 -3.462 -10.159 -25.002 1.00 0.00 ATOM 511 CG LYS A 66 -3.645 -11.605 -24.569 1.00 0.00 ATOM 512 CD LYS A 66 -2.457 -12.460 -24.981 1.00 0.00 ATOM 513 CE LYS A 66 -2.656 -13.911 -24.579 1.00 0.00 ATOM 514 NZ LYS A 66 -1.510 -14.765 -24.997 1.00 0.00 ATOM 515 O LYS A 66 -3.809 -7.100 -23.884 1.00 0.00 ATOM 516 C LYS A 66 -4.201 -7.801 -24.805 1.00 0.00 ATOM 517 N LEU A 67 -4.254 -7.344 -26.067 1.00 0.00 ATOM 518 CA LEU A 67 -3.942 -5.949 -26.361 1.00 0.00 ATOM 519 CB LEU A 67 -4.109 -5.663 -27.854 1.00 0.00 ATOM 520 CG LEU A 67 -3.046 -6.258 -28.780 1.00 0.00 ATOM 521 CD1 LEU A 67 -3.429 -6.054 -30.238 1.00 0.00 ATOM 522 CD2 LEU A 67 -1.697 -5.595 -28.546 1.00 0.00 ATOM 523 O LEU A 67 -4.443 -3.994 -25.052 1.00 0.00 ATOM 524 C LEU A 67 -4.892 -4.990 -25.619 1.00 0.00 ATOM 525 N LYS A 68 -6.185 -5.312 -25.575 1.00 0.00 ATOM 526 CA LYS A 68 -7.134 -4.467 -24.796 1.00 0.00 ATOM 527 CB LYS A 68 -8.568 -4.966 -24.978 1.00 0.00 ATOM 528 CG LYS A 68 -9.141 -4.719 -26.364 1.00 0.00 ATOM 529 CD LYS A 68 -10.566 -5.236 -26.474 1.00 0.00 ATOM 530 CE LYS A 68 -11.130 -5.010 -27.868 1.00 0.00 ATOM 531 NZ LYS A 68 -12.514 -5.542 -27.999 1.00 0.00 ATOM 532 O LYS A 68 -6.861 -3.462 -22.637 1.00 0.00 ATOM 533 C LYS A 68 -6.806 -4.493 -23.309 1.00 0.00 ATOM 534 N ARG A 69 -6.437 -5.632 -22.734 1.00 0.00 ATOM 535 CA ARG A 69 -6.079 -5.703 -21.328 1.00 0.00 ATOM 536 CB ARG A 69 -5.796 -7.162 -20.932 1.00 0.00 ATOM 537 CG ARG A 69 -7.046 -8.041 -20.948 1.00 0.00 ATOM 538 CD ARG A 69 -6.706 -9.516 -20.789 1.00 0.00 ATOM 539 NE ARG A 69 -6.121 -9.820 -19.484 1.00 0.00 ATOM 540 CZ ARG A 69 -6.814 -9.971 -18.358 1.00 0.00 ATOM 541 NH1 ARG A 69 -8.137 -9.850 -18.350 1.00 0.00 ATOM 542 NH2 ARG A 69 -6.176 -10.247 -17.228 1.00 0.00 ATOM 543 O ARG A 69 -4.861 -4.129 -19.988 1.00 0.00 ATOM 544 C ARG A 69 -4.877 -4.826 -20.999 1.00 0.00 ATOM 545 N GLU A 70 -3.861 -4.865 -21.855 1.00 0.00 ATOM 546 CA GLU A 70 -2.655 -4.073 -21.653 1.00 0.00 ATOM 547 CB GLU A 70 -1.589 -4.451 -22.684 1.00 0.00 ATOM 548 CG GLU A 70 -0.266 -3.723 -22.505 1.00 0.00 ATOM 549 CD GLU A 70 0.782 -4.166 -23.506 1.00 0.00 ATOM 550 OE1 GLU A 70 0.478 -5.049 -24.334 1.00 0.00 ATOM 551 OE2 GLU A 70 1.909 -3.628 -23.461 1.00 0.00 ATOM 552 O GLU A 70 -2.387 -1.742 -21.096 1.00 0.00 ATOM 553 C GLU A 70 -2.964 -2.582 -21.796 1.00 0.00 ATOM 554 N GLN A 71 -3.799 -2.227 -22.767 1.00 0.00 ATOM 555 CA GLN A 71 -4.193 -0.833 -22.893 1.00 0.00 ATOM 556 CB GLN A 71 -5.166 -0.655 -24.061 1.00 0.00 ATOM 557 CG GLN A 71 -4.530 -0.828 -25.430 1.00 0.00 ATOM 558 CD GLN A 71 -5.543 -0.756 -26.556 1.00 0.00 ATOM 559 OE1 GLN A 71 -6.747 -0.667 -26.316 1.00 0.00 ATOM 560 NE2 GLN A 71 -5.056 -0.796 -27.791 1.00 0.00 ATOM 561 O GLN A 71 -4.618 0.745 -21.155 1.00 0.00 ATOM 562 C GLN A 71 -4.886 -0.333 -21.629 1.00 0.00 ATOM 563 N ARG A 72 -5.758 -1.174 -21.083 1.00 0.00 ATOM 564 CA ARG A 72 -6.472 -0.878 -19.834 1.00 0.00 ATOM 565 CB ARG A 72 -7.430 -2.008 -19.486 1.00 0.00 ATOM 566 CG ARG A 72 -8.411 -1.640 -18.368 1.00 0.00 ATOM 567 CD ARG A 72 -9.364 -2.796 -18.070 1.00 0.00 ATOM 568 NE ARG A 72 -8.622 -3.915 -17.466 1.00 0.00 ATOM 569 CZ ARG A 72 -8.323 -5.053 -18.084 1.00 0.00 ATOM 570 NH1 ARG A 72 -8.705 -5.293 -19.349 1.00 0.00 ATOM 571 NH2 ARG A 72 -7.577 -5.942 -17.440 1.00 0.00 ATOM 572 O ARG A 72 -5.686 0.248 -17.856 1.00 0.00 ATOM 573 C ARG A 72 -5.516 -0.670 -18.663 1.00 0.00 ATOM 574 N ASN A 73 -4.549 -1.541 -18.590 1.00 0.00 ATOM 575 CA ASN A 73 -3.566 -1.445 -17.523 1.00 0.00 ATOM 576 CB ASN A 73 -2.626 -2.634 -17.582 1.00 0.00 ATOM 577 CG ASN A 73 -3.292 -3.912 -17.124 1.00 0.00 ATOM 578 ND2 ASN A 73 -2.676 -5.048 -17.425 1.00 0.00 ATOM 579 OD1 ASN A 73 -4.363 -3.875 -16.510 1.00 0.00 ATOM 580 O ASN A 73 -2.460 0.504 -16.674 1.00 0.00 ATOM 581 C ASN A 73 -2.784 -0.143 -17.665 1.00 0.00 ATOM 582 N ASN A 74 -2.454 0.214 -18.913 1.00 0.00 ATOM 583 CA ASN A 74 -1.708 1.447 -19.142 1.00 0.00 ATOM 584 CB ASN A 74 -1.374 1.577 -20.630 1.00 0.00 ATOM 585 CG ASN A 74 -0.498 2.777 -20.927 1.00 0.00 ATOM 586 ND2 ASN A 74 -1.026 3.714 -21.707 1.00 0.00 ATOM 587 OD1 ASN A 74 0.639 2.859 -20.461 1.00 0.00 ATOM 588 O ASN A 74 -2.026 3.549 -18.020 1.00 0.00 ATOM 589 C ASN A 74 -2.546 2.630 -18.655 1.00 0.00 ATOM 590 N LYS A 75 -3.866 2.610 -18.944 1.00 0.00 ATOM 591 CA LYS A 75 -4.752 3.690 -18.525 1.00 0.00 ATOM 592 CB LYS A 75 -6.167 3.473 -19.063 1.00 0.00 ATOM 593 CG LYS A 75 -6.293 3.645 -20.569 1.00 0.00 ATOM 594 CD LYS A 75 -7.723 3.420 -21.034 1.00 0.00 ATOM 595 CE LYS A 75 -7.840 3.560 -22.542 1.00 0.00 ATOM 596 NZ LYS A 75 -9.232 3.319 -23.016 1.00 0.00 ATOM 597 O LYS A 75 -4.788 4.834 -16.417 1.00 0.00 ATOM 598 C LYS A 75 -4.809 3.753 -16.995 1.00 0.00 ATOM 599 N LEU A 76 -4.905 2.595 -16.343 1.00 0.00 ATOM 600 CA LEU A 76 -4.962 2.566 -14.880 1.00 0.00 ATOM 601 CB LEU A 76 -5.056 1.107 -14.424 1.00 0.00 ATOM 602 CG LEU A 76 -5.084 0.870 -12.913 1.00 0.00 ATOM 603 CD1 LEU A 76 -6.302 1.531 -12.285 1.00 0.00 ATOM 604 CD2 LEU A 76 -5.137 -0.618 -12.603 1.00 0.00 ATOM 605 O LEU A 76 -3.739 3.895 -13.314 1.00 0.00 ATOM 606 C LEU A 76 -3.689 3.152 -14.289 1.00 0.00 ATOM 607 N HIS A 77 -2.527 2.760 -14.833 1.00 0.00 ATOM 608 CA HIS A 77 -1.262 3.279 -14.341 1.00 0.00 ATOM 609 CB HIS A 77 -0.073 2.683 -15.050 1.00 0.00 ATOM 610 CG HIS A 77 1.237 3.252 -14.595 1.00 0.00 ATOM 611 CD2 HIS A 77 2.099 4.103 -15.200 1.00 0.00 ATOM 612 ND1 HIS A 77 1.769 2.992 -13.350 1.00 0.00 ATOM 613 CE1 HIS A 77 2.900 3.660 -13.206 1.00 0.00 ATOM 614 NE2 HIS A 77 3.123 4.342 -14.314 1.00 0.00 ATOM 615 O HIS A 77 -0.695 5.413 -13.487 1.00 0.00 ATOM 616 C HIS A 77 -1.193 4.777 -14.415 1.00 0.00 ATOM 617 N LEU A 78 -1.658 5.356 -15.547 1.00 0.00 ATOM 618 CA LEU A 78 -1.662 6.814 -15.732 1.00 0.00 ATOM 619 CB LEU A 78 -2.142 7.171 -17.140 1.00 0.00 ATOM 620 CG LEU A 78 -1.216 6.779 -18.292 1.00 0.00 ATOM 621 CD1 LEU A 78 -1.891 7.027 -19.634 1.00 0.00 ATOM 622 CD2 LEU A 78 0.069 7.591 -18.250 1.00 0.00 ATOM 623 O LEU A 78 -2.173 8.528 -14.128 1.00 0.00 ATOM 624 C LEU A 78 -2.554 7.510 -14.709 1.00 0.00 ATOM 625 N GLU A 79 -3.759 6.968 -14.467 1.00 0.00 ATOM 626 CA GLU A 79 -4.683 7.544 -13.493 1.00 0.00 ATOM 627 CB GLU A 79 -6.002 6.768 -13.488 1.00 0.00 ATOM 628 CG GLU A 79 -6.831 6.946 -14.750 1.00 0.00 ATOM 629 CD GLU A 79 -8.068 6.069 -14.764 1.00 0.00 ATOM 630 OE1 GLU A 79 -8.238 5.268 -13.819 1.00 0.00 ATOM 631 OE2 GLU A 79 -8.867 6.183 -15.717 1.00 0.00 ATOM 632 O GLU A 79 -4.116 8.465 -11.343 1.00 0.00 ATOM 633 C GLU A 79 -4.050 7.490 -12.100 1.00 0.00 ATOM 634 N HIS A 80 -3.432 6.363 -11.771 1.00 0.00 ATOM 635 CA HIS A 80 -2.826 6.181 -10.441 1.00 0.00 ATOM 636 CB HIS A 80 -2.311 4.749 -10.278 1.00 0.00 ATOM 637 CG HIS A 80 -1.708 4.472 -8.936 1.00 0.00 ATOM 638 CD2 HIS A 80 -0.366 4.216 -8.434 1.00 0.00 ATOM 639 ND1 HIS A 80 -2.458 4.407 -7.782 1.00 0.00 ATOM 640 CE1 HIS A 80 -1.643 4.147 -6.745 1.00 0.00 ATOM 641 NE2 HIS A 80 -0.387 4.031 -7.128 1.00 0.00 ATOM 642 O HIS A 80 -1.504 7.678 -9.088 1.00 0.00 ATOM 643 C HIS A 80 -1.634 7.124 -10.188 1.00 0.00 ATOM 644 N HIS A 81 -0.760 7.261 -11.178 1.00 0.00 ATOM 645 CA HIS A 81 0.437 8.103 -11.057 1.00 0.00 ATOM 646 CB HIS A 81 1.260 8.054 -12.346 1.00 0.00 ATOM 647 CG HIS A 81 2.503 8.886 -12.300 1.00 0.00 ATOM 648 CD2 HIS A 81 2.938 10.135 -12.909 1.00 0.00 ATOM 649 ND1 HIS A 81 3.606 8.538 -11.552 1.00 0.00 ATOM 650 CE1 HIS A 81 4.558 9.474 -11.712 1.00 0.00 ATOM 651 NE2 HIS A 81 4.164 10.436 -12.525 1.00 0.00 ATOM 652 O HIS A 81 0.667 10.214 -9.931 1.00 0.00 ATOM 653 C HIS A 81 0.065 9.552 -10.790 1.00 0.00 ATOM 654 N HIS A 82 -0.941 10.033 -11.512 1.00 0.00 ATOM 655 CA HIS A 82 -1.412 11.402 -11.325 1.00 0.00 ATOM 656 CB HIS A 82 -2.513 11.734 -12.334 1.00 0.00 ATOM 657 CG HIS A 82 -3.091 13.105 -12.170 1.00 0.00 ATOM 658 CD2 HIS A 82 -4.335 13.654 -11.652 1.00 0.00 ATOM 659 ND1 HIS A 82 -2.415 14.246 -12.549 1.00 0.00 ATOM 660 CE1 HIS A 82 -3.182 15.318 -12.280 1.00 0.00 ATOM 661 NE2 HIS A 82 -4.335 14.969 -11.741 1.00 0.00 ATOM 662 O HIS A 82 -1.703 12.644 -9.278 1.00 0.00 ATOM 663 C HIS A 82 -1.996 11.626 -9.913 1.00 0.00 ATOM 664 N HIS A 83 -2.831 10.659 -9.451 1.00 0.00 ATOM 665 CA HIS A 83 -3.331 10.762 -8.058 1.00 0.00 ATOM 666 CB HIS A 83 -4.169 9.533 -7.700 1.00 0.00 ATOM 667 CG HIS A 83 -4.640 9.517 -6.279 1.00 0.00 ATOM 668 CD2 HIS A 83 -4.254 8.814 -5.063 1.00 0.00 ATOM 669 ND1 HIS A 83 -5.687 10.295 -5.833 1.00 0.00 ATOM 670 CE1 HIS A 83 -5.876 10.065 -4.521 1.00 0.00 ATOM 671 NE2 HIS A 83 -5.019 9.177 -4.054 1.00 0.00 ATOM 672 O HIS A 83 -2.151 11.658 -6.134 1.00 0.00 ATOM 673 C HIS A 83 -2.171 10.807 -7.039 1.00 0.00 ATOM 674 N HIS A 84 -1.192 9.921 -7.236 1.00 0.00 ATOM 675 CA HIS A 84 -0.030 9.882 -6.354 1.00 0.00 ATOM 676 CB HIS A 84 0.906 8.756 -6.802 1.00 0.00 ATOM 677 CG HIS A 84 2.166 8.665 -6.000 1.00 0.00 ATOM 678 CD2 HIS A 84 3.565 9.003 -6.222 1.00 0.00 ATOM 679 ND1 HIS A 84 2.198 8.165 -4.716 1.00 0.00 ATOM 680 CE1 HIS A 84 3.462 8.210 -4.260 1.00 0.00 ATOM 681 NE2 HIS A 84 4.287 8.711 -5.158 1.00 0.00 ATOM 682 O HIS A 84 1.174 11.765 -5.407 1.00 0.00 ATOM 683 C HIS A 84 0.784 11.191 -6.438 1.00 0.00 ATOM 684 N HIS A 85 1.003 11.669 -7.652 1.00 0.00 ATOM 685 CA HIS A 85 1.739 12.911 -7.859 1.00 0.00 ATOM 686 CB HIS A 85 1.884 13.186 -9.357 1.00 0.00 ATOM 687 CG HIS A 85 2.641 14.438 -9.671 1.00 0.00 ATOM 688 CD2 HIS A 85 2.303 15.754 -10.193 1.00 0.00 ATOM 689 ND1 HIS A 85 4.002 14.551 -9.483 1.00 0.00 ATOM 690 CE1 HIS A 85 4.395 15.784 -9.851 1.00 0.00 ATOM 691 NE2 HIS A 85 3.380 16.511 -10.279 1.00 0.00 ATOM 692 O HIS A 85 1.708 15.058 -6.787 1.00 0.00 ATOM 693 C HIS A 85 1.039 14.135 -7.249 1.00 0.00 ENDMDL EXPDTA 2hepA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hepA ATOM 1 N MET 1 3.740 -3.280 -15.260 1.00 0.00 ATOM 2 CA MET 1 3.354 -4.585 -15.872 1.00 0.00 ATOM 3 CB MET 1 4.536 -5.151 -16.672 1.00 0.00 ATOM 4 CG MET 1 5.857 -4.798 -15.980 1.00 0.00 ATOM 5 SD MET 1 7.163 -5.901 -16.577 1.00 0.00 ATOM 6 CE MET 1 7.196 -5.323 -18.294 1.00 0.00 ATOM 7 O MET 1 2.367 -6.614 -15.052 1.00 0.00 ATOM 8 C MET 1 2.951 -5.565 -14.774 1.00 0.00 ATOM 9 N ILE 2 3.266 -5.218 -13.528 1.00 0.00 ATOM 10 CA ILE 2 2.933 -6.076 -12.395 1.00 0.00 ATOM 11 CB ILE 2 3.714 -5.633 -11.153 1.00 0.00 ATOM 12 CG1 ILE 2 5.222 -5.681 -11.441 1.00 0.00 ATOM 13 CG2 ILE 2 3.391 -6.566 -9.983 1.00 0.00 ATOM 14 CD1 ILE 2 5.632 -7.091 -11.881 1.00 0.00 ATOM 15 O ILE 2 0.780 -5.008 -12.342 1.00 0.00 ATOM 16 C ILE 2 1.435 -6.025 -12.105 1.00 0.00 ATOM 17 N SER 3 0.904 -7.131 -11.590 1.00 0.00 ATOM 18 CA SER 3 -0.519 -7.214 -11.267 1.00 0.00 ATOM 19 CB SER 3 -1.348 -7.202 -12.555 1.00 0.00 ATOM 20 OG SER 3 -1.069 -8.375 -13.310 1.00 0.00 ATOM 21 O SER 3 -1.966 -8.934 -10.419 1.00 0.00 ATOM 22 C SER 3 -0.819 -8.487 -10.476 1.00 0.00 ATOM 23 N ASN 4 0.215 -9.066 -9.869 1.00 0.00 ATOM 24 CA ASN 4 0.044 -10.289 -9.088 1.00 0.00 ATOM 25 CB ASN 4 1.392 -11.008 -8.932 1.00 0.00 ATOM 26 CG ASN 4 2.423 -10.084 -8.288 1.00 0.00 ATOM 27 ND2 ASN 4 2.545 -10.058 -6.990 1.00 0.00 ATOM 28 OD1 ASN 4 3.140 -9.371 -8.988 1.00 0.00 ATOM 29 O ASN 4 -1.220 -8.956 -7.536 1.00 0.00 ATOM 30 C ASN 4 -0.556 -9.979 -7.715 1.00 0.00 ATOM 31 N ALA 5 -0.327 -10.874 -6.753 1.00 0.00 ATOM 32 CA ALA 5 -0.854 -10.700 -5.400 1.00 0.00 ATOM 33 CB ALA 5 -0.386 -11.855 -4.511 1.00 0.00 ATOM 34 O ALA 5 -0.907 -8.960 -3.747 1.00 0.00 ATOM 35 C ALA 5 -0.403 -9.373 -4.791 1.00 0.00 ATOM 36 N LYS 6 0.545 -8.708 -5.448 1.00 0.00 ATOM 37 CA LYS 6 1.047 -7.430 -4.956 1.00 0.00 ATOM 38 CB LYS 6 2.278 -7.006 -5.764 1.00 0.00 ATOM 39 CG LYS 6 2.745 -5.619 -5.306 1.00 0.00 ATOM 40 CD LYS 6 4.120 -5.312 -5.907 1.00 0.00 ATOM 41 CE LYS 6 5.201 -6.098 -5.160 1.00 0.00 ATOM 42 NZ LYS 6 6.460 -5.300 -5.125 1.00 0.00 ATOM 43 O LYS 6 -0.430 -5.761 -4.066 1.00 0.00 ATOM 44 C LYS 6 -0.036 -6.361 -5.066 1.00 0.00 ATOM 45 N ILE 7 -0.516 -6.135 -6.287 1.00 0.00 ATOM 46 CA ILE 7 -1.560 -5.142 -6.521 1.00 0.00 ATOM 47 CB ILE 7 -1.959 -5.144 -8.006 1.00 0.00 ATOM 48 CG1 ILE 7 -0.968 -4.282 -8.803 1.00 0.00 ATOM 49 CG2 ILE 7 -3.373 -4.573 -8.175 1.00 0.00 ATOM 50 CD1 ILE 7 0.429 -4.910 -8.757 1.00 0.00 ATOM 51 O ILE 7 -3.331 -4.550 -5.007 1.00 0.00 ATOM 52 C ILE 7 -2.776 -5.443 -5.649 1.00 0.00 ATOM 53 N ALA 8 -3.179 -6.711 -5.632 1.00 0.00 ATOM 54 CA ALA 8 -4.327 -7.135 -4.839 1.00 0.00 ATOM 55 CB ALA 8 -4.557 -8.637 -5.021 1.00 0.00 ATOM 56 O ALA 8 -4.991 -6.280 -2.694 1.00 0.00 ATOM 57 C ALA 8 -4.111 -6.829 -3.357 1.00 0.00 ATOM 58 N ARG 9 -2.936 -7.191 -2.848 1.00 0.00 ATOM 59 CA ARG 9 -2.610 -6.957 -1.443 1.00 0.00 ATOM 60 CB ARG 9 -1.213 -7.511 -1.136 1.00 0.00 ATOM 61 CG ARG 9 -0.848 -7.242 0.329 1.00 0.00 ATOM 62 CD ARG 9 -1.827 -7.973 1.250 1.00 0.00 ATOM 63 NE ARG 9 -1.212 -8.214 2.552 1.00 0.00 ATOM 64 CZ ARG 9 -1.716 -9.105 3.401 1.00 0.00 ATOM 65 NH1 ARG 9 -2.781 -9.790 3.080 1.00 0.00 ATOM 66 NH2 ARG 9 -1.146 -9.293 4.559 1.00 0.00 ATOM 67 O ARG 9 -3.288 -5.057 -0.139 1.00 0.00 ATOM 68 C ARG 9 -2.657 -5.467 -1.114 1.00 0.00 ATOM 69 N ILE 10 -1.978 -4.667 -1.931 1.00 0.00 ATOM 70 CA ILE 10 -1.935 -3.222 -1.722 1.00 0.00 ATOM 71 CB ILE 10 -1.213 -2.546 -2.894 1.00 0.00 ATOM 72 CG1 ILE 10 0.280 -2.893 -2.840 1.00 0.00 ATOM 73 CG2 ILE 10 -1.382 -1.026 -2.801 1.00 0.00 ATOM 74 CD1 ILE 10 0.936 -2.560 -4.182 1.00 0.00 ATOM 75 O ILE 10 -3.643 -1.966 -0.596 1.00 0.00 ATOM 76 C ILE 10 -3.344 -2.646 -1.577 1.00 0.00 ATOM 77 N ASN 11 -4.201 -2.917 -2.560 1.00 0.00 ATOM 78 CA ASN 11 -5.570 -2.410 -2.529 1.00 0.00 ATOM 79 CB ASN 11 -6.314 -2.823 -3.811 1.00 0.00 ATOM 80 CG ASN 11 -7.230 -4.024 -3.567 1.00 0.00 ATOM 81 ND2 ASN 11 -6.990 -5.145 -4.186 1.00 0.00 ATOM 82 OD1 ASN 11 -8.194 -3.934 -2.806 1.00 0.00 ATOM 83 O ASN 11 -7.062 -2.178 -0.662 1.00 0.00 ATOM 84 C ASN 11 -6.305 -2.918 -1.291 1.00 0.00 ATOM 85 N GLU 12 -6.078 -4.183 -0.950 1.00 0.00 ATOM 86 CA GLU 12 -6.726 -4.779 0.213 1.00 0.00 ATOM 87 CB GLU 12 -6.326 -6.253 0.343 1.00 0.00 ATOM 88 CG GLU 12 -7.236 -7.118 -0.536 1.00 0.00 ATOM 89 CD GLU 12 -8.685 -7.013 -0.064 1.00 0.00 ATOM 90 OE1 GLU 12 -8.963 -7.450 1.041 1.00 0.00 ATOM 91 OE2 GLU 12 -9.496 -6.496 -0.815 1.00 0.00 ATOM 92 O GLU 12 -7.206 -3.495 2.182 1.00 0.00 ATOM 93 C GLU 12 -6.344 -4.031 1.486 1.00 0.00 ATOM 94 N LEU 13 -5.048 -4.002 1.786 1.00 0.00 ATOM 95 CA LEU 13 -4.558 -3.324 2.984 1.00 0.00 ATOM 96 CB LEU 13 -3.034 -3.457 3.070 1.00 0.00 ATOM 97 CG LEU 13 -2.607 -3.619 4.534 1.00 0.00 ATOM 98 CD1 LEU 13 -1.130 -4.016 4.593 1.00 0.00 ATOM 99 CD2 LEU 13 -2.803 -2.294 5.280 1.00 0.00 ATOM 100 O LEU 13 -5.428 -1.312 3.965 1.00 0.00 ATOM 101 C LEU 13 -4.941 -1.845 2.968 1.00 0.00 ATOM 102 N ALA 14 -4.711 -1.191 1.833 1.00 0.00 ATOM 103 CA ALA 14 -5.027 0.228 1.696 1.00 0.00 ATOM 104 CB ALA 14 -4.743 0.690 0.265 1.00 0.00 ATOM 105 O ALA 14 -6.790 1.312 2.909 1.00 0.00 ATOM 106 C ALA 14 -6.489 0.499 2.036 1.00 0.00 ATOM 107 N ALA 15 -7.392 -0.182 1.335 1.00 0.00 ATOM 108 CA ALA 15 -8.825 -0.002 1.559 1.00 0.00 ATOM 109 CB ALA 15 -9.615 -0.875 0.582 1.00 0.00 ATOM 110 O ALA 15 -10.055 0.293 3.601 1.00 0.00 ATOM 111 C ALA 15 -9.211 -0.366 2.992 1.00 0.00 ATOM 112 N LYS 16 -8.588 -1.413 3.525 1.00 0.00 ATOM 113 CA LYS 16 -8.871 -1.853 4.888 1.00 0.00 ATOM 114 CB LYS 16 -8.105 -3.142 5.203 1.00 0.00 ATOM 115 CG LYS 16 -9.059 -4.340 5.126 1.00 0.00 ATOM 116 CD LYS 16 -9.439 -4.615 3.664 1.00 0.00 ATOM 117 CE LYS 16 -10.820 -5.275 3.604 1.00 0.00 ATOM 118 NZ LYS 16 -10.778 -6.589 4.307 1.00 0.00 ATOM 119 O LYS 16 -9.336 -0.217 6.579 1.00 0.00 ATOM 120 C LYS 16 -8.485 -0.765 5.878 1.00 0.00 ATOM 121 N ALA 17 -7.192 -0.454 5.920 1.00 0.00 ATOM 122 CA ALA 17 -6.689 0.577 6.816 1.00 0.00 ATOM 123 CB ALA 17 -5.180 0.744 6.623 1.00 0.00 ATOM 124 O ALA 17 -7.495 2.753 7.421 1.00 0.00 ATOM 125 C ALA 17 -7.388 1.903 6.539 1.00 0.00 ATOM 126 N LYS 18 -7.866 2.070 5.306 1.00 0.00 ATOM 127 CA LYS 18 -8.556 3.302 4.930 1.00 0.00 ATOM 128 CB LYS 18 -8.659 3.411 3.404 1.00 0.00 ATOM 129 CG LYS 18 -9.584 4.576 3.031 1.00 0.00 ATOM 130 CD LYS 18 -9.264 5.054 1.612 1.00 0.00 ATOM 131 CE LYS 18 -10.204 6.202 1.233 1.00 0.00 ATOM 132 NZ LYS 18 -11.587 5.674 1.065 1.00 0.00 ATOM 133 O LYS 18 -10.289 4.267 6.282 1.00 0.00 ATOM 134 C LYS 18 -9.953 3.341 5.543 1.00 0.00 ATOM 135 N ALA 19 -10.761 2.330 5.230 1.00 0.00 ATOM 136 CA ALA 19 -12.122 2.256 5.752 1.00 0.00 ATOM 137 CB ALA 19 -12.927 1.219 4.962 1.00 0.00 ATOM 138 O ALA 19 -13.175 1.786 7.859 1.00 0.00 ATOM 139 C ALA 19 -12.118 1.878 7.232 1.00 0.00 ATOM 140 N GLY 20 -10.924 1.664 7.786 1.00 0.00 ATOM 141 CA GLY 20 -10.797 1.298 9.193 1.00 0.00 ATOM 142 O GLY 20 -11.257 3.084 10.725 1.00 0.00 ATOM 143 C GLY 20 -10.413 2.507 10.040 1.00 0.00 ATOM 144 N VAL 21 -9.137 2.889 9.980 1.00 0.00 ATOM 145 CA VAL 21 -8.644 4.037 10.742 1.00 0.00 ATOM 146 CB VAL 21 -8.322 3.630 12.189 1.00 0.00 ATOM 147 CG1 VAL 21 -9.619 3.380 12.968 1.00 0.00 ATOM 148 CG2 VAL 21 -7.473 2.354 12.193 1.00 0.00 ATOM 149 O VAL 21 -7.198 5.825 10.048 1.00 0.00 ATOM 150 C VAL 21 -7.388 4.609 10.090 1.00 0.00 ATOM 151 N ILE 22 -6.535 3.715 9.590 1.00 0.00 ATOM 152 CA ILE 22 -5.284 4.109 8.942 1.00 0.00 ATOM 153 CB ILE 22 -5.554 5.135 7.818 1.00 0.00 ATOM 154 CG1 ILE 22 -4.997 4.598 6.488 1.00 0.00 ATOM 155 CG2 ILE 22 -4.897 6.487 8.137 1.00 0.00 ATOM 156 CD1 ILE 22 -3.515 4.234 6.638 1.00 0.00 ATOM 157 O ILE 22 -4.669 5.506 10.802 1.00 0.00 ATOM 158 C ILE 22 -4.305 4.669 9.974 1.00 0.00 ATOM 159 N THR 23 -3.065 4.191 9.920 1.00 0.00 ATOM 160 CA THR 23 -2.035 4.638 10.854 1.00 0.00 ATOM 161 CB THR 23 -1.736 3.533 11.876 1.00 0.00 ATOM 162 CG2 THR 23 -3.042 3.047 12.509 1.00 0.00 ATOM 163 OG1 THR 23 -1.090 2.447 11.226 1.00 0.00 ATOM 164 O THR 23 -0.469 4.444 9.046 1.00 0.00 ATOM 165 C THR 23 -0.756 4.999 10.107 1.00 0.00 ATOM 166 N GLU 24 0.009 5.929 10.674 1.00 0.00 ATOM 167 CA GLU 24 1.264 6.359 10.063 1.00 0.00 ATOM 168 CB GLU 24 2.036 7.249 11.043 1.00 0.00 ATOM 169 CG GLU 24 3.274 7.834 10.353 1.00 0.00 ATOM 170 CD GLU 24 4.266 8.347 11.396 1.00 0.00 ATOM 171 OE1 GLU 24 3.823 8.929 12.374 1.00 0.00 ATOM 172 OE2 GLU 24 5.455 8.153 11.200 1.00 0.00 ATOM 173 O GLU 24 2.709 5.106 8.609 1.00 0.00 ATOM 174 C GLU 24 2.118 5.150 9.688 1.00 0.00 ATOM 175 N GLU 25 2.172 4.171 10.589 1.00 0.00 ATOM 176 CA GLU 25 2.952 2.959 10.353 1.00 0.00 ATOM 177 CB GLU 25 2.843 2.018 11.559 1.00 0.00 ATOM 178 CG GLU 25 3.050 2.806 12.859 1.00 0.00 ATOM 179 CD GLU 25 4.290 3.692 12.752 1.00 0.00 ATOM 180 OE1 GLU 25 4.128 4.892 12.594 1.00 0.00 ATOM 181 OE2 GLU 25 5.384 3.157 12.827 1.00 0.00 ATOM 182 O GLU 25 3.245 1.943 8.197 1.00 0.00 ATOM 183 C GLU 25 2.461 2.242 9.099 1.00 0.00 ATOM 184 N GLU 26 1.158 1.974 9.048 1.00 0.00 ATOM 185 CA GLU 26 0.569 1.294 7.898 1.00 0.00 ATOM 186 CB GLU 26 -0.924 1.049 8.139 1.00 0.00 ATOM 187 CG GLU 26 -1.109 -0.037 9.202 1.00 0.00 ATOM 188 CD GLU 26 -2.595 -0.221 9.499 1.00 0.00 ATOM 189 OE1 GLU 26 -3.238 -0.961 8.772 1.00 0.00 ATOM 190 OE2 GLU 26 -3.070 0.385 10.446 1.00 0.00 ATOM 191 O GLU 26 1.247 1.652 5.626 1.00 0.00 ATOM 192 C GLU 26 0.745 2.136 6.640 1.00 0.00 ATOM 193 N LYS 27 0.330 3.398 6.720 1.00 0.00 ATOM 194 CA LYS 27 0.440 4.314 5.588 1.00 0.00 ATOM 195 CB LYS 27 0.023 5.722 6.023 1.00 0.00 ATOM 196 CG LYS 27 -0.150 6.619 4.794 1.00 0.00 ATOM 197 CD LYS 27 -0.496 8.041 5.247 1.00 0.00 ATOM 198 CE LYS 27 -0.860 8.898 4.032 1.00 0.00 ATOM 199 NZ LYS 27 0.347 9.097 3.180 1.00 0.00 ATOM 200 O LYS 27 2.079 4.396 3.832 1.00 0.00 ATOM 201 C LYS 27 1.870 4.340 5.045 1.00 0.00 ATOM 202 N ALA 28 2.849 4.298 5.949 1.00 0.00 ATOM 203 CA ALA 28 4.254 4.317 5.545 1.00 0.00 ATOM 204 CB ALA 28 5.155 4.331 6.783 1.00 0.00 ATOM 205 O ALA 28 5.273 3.215 3.670 1.00 0.00 ATOM 206 C ALA 28 4.585 3.100 4.684 1.00 0.00 ATOM 207 N GLU 29 4.088 1.936 5.095 1.00 0.00 ATOM 208 CA GLU 29 4.334 0.704 4.350 1.00 0.00 ATOM 209 CB GLU 29 3.645 -0.476 5.044 1.00 0.00 ATOM 210 CG GLU 29 4.642 -1.185 5.967 1.00 0.00 ATOM 211 CD GLU 29 4.918 -0.330 7.202 1.00 0.00 ATOM 212 OE1 GLU 29 5.710 0.593 7.097 1.00 0.00 ATOM 213 OE2 GLU 29 4.333 -0.610 8.236 1.00 0.00 ATOM 214 O GLU 29 4.589 0.709 1.963 1.00 0.00 ATOM 215 C GLU 29 3.822 0.834 2.917 1.00 0.00 ATOM 216 N GLN 30 2.522 1.087 2.775 1.00 0.00 ATOM 217 CA GLN 30 1.914 1.236 1.452 1.00 0.00 ATOM 218 CB GLN 30 0.461 1.717 1.578 1.00 0.00 ATOM 219 CG GLN 30 -0.146 1.217 2.892 1.00 0.00 ATOM 220 CD GLN 30 -1.665 1.362 2.864 1.00 0.00 ATOM 221 OE1 GLN 30 -2.231 1.824 1.872 1.00 0.00 ATOM 222 NE2 GLN 30 -2.363 0.997 3.904 1.00 0.00 ATOM 223 O GLN 30 2.727 2.127 -0.626 1.00 0.00 ATOM 224 C GLN 30 2.702 2.230 0.601 1.00 0.00 ATOM 225 N GLN 31 3.337 3.196 1.263 1.00 0.00 ATOM 226 CA GLN 31 4.118 4.212 0.564 1.00 0.00 ATOM 227 CB GLN 31 4.760 5.166 1.576 1.00 0.00 ATOM 228 CG GLN 31 5.015 6.524 0.915 1.00 0.00 ATOM 229 CD GLN 31 5.987 7.345 1.758 1.00 0.00 ATOM 230 OE1 GLN 31 6.105 7.128 2.965 1.00 0.00 ATOM 231 NE2 GLN 31 6.695 8.283 1.191 1.00 0.00 ATOM 232 O GLN 31 5.225 3.758 -1.513 1.00 0.00 ATOM 233 C GLN 31 5.205 3.575 -0.297 1.00 0.00 ATOM 234 N LYS 32 6.113 2.836 0.338 1.00 0.00 ATOM 235 CA LYS 32 7.203 2.190 -0.388 1.00 0.00 ATOM 236 CB LYS 32 8.117 1.436 0.591 1.00 0.00 ATOM 237 CG LYS 32 7.596 0.011 0.821 1.00 0.00 ATOM 238 CD LYS 32 8.393 -0.655 1.946 1.00 0.00 ATOM 239 CE LYS 32 7.901 -2.093 2.140 1.00 0.00 ATOM 240 NZ LYS 32 6.752 -2.104 3.089 1.00 0.00 ATOM 241 O LYS 32 7.192 1.163 -2.558 1.00 0.00 ATOM 242 C LYS 32 6.661 1.235 -1.451 1.00 0.00 ATOM 243 N LEU 33 5.603 0.506 -1.105 1.00 0.00 ATOM 244 CA LEU 33 4.999 -0.442 -2.036 1.00 0.00 ATOM 245 CB LEU 33 3.789 -1.121 -1.384 1.00 0.00 ATOM 246 CG LEU 33 4.267 -2.158 -0.361 1.00 0.00 ATOM 247 CD1 LEU 33 3.074 -2.651 0.461 1.00 0.00 ATOM 248 CD2 LEU 33 4.908 -3.345 -1.089 1.00 0.00 ATOM 249 O LEU 33 5.005 -0.097 -4.414 1.00 0.00 ATOM 250 C LEU 33 4.563 0.260 -3.321 1.00 0.00 ATOM 251 N ARG 34 3.690 1.256 -3.180 1.00 0.00 ATOM 252 CA ARG 34 3.192 2.001 -4.335 1.00 0.00 ATOM 253 CB ARG 34 2.066 2.946 -3.902 1.00 0.00 ATOM 254 CG ARG 34 0.768 2.151 -3.724 1.00 0.00 ATOM 255 CD ARG 34 0.222 1.735 -5.094 1.00 0.00 ATOM 256 NE ARG 34 -1.223 1.531 -5.024 1.00 0.00 ATOM 257 CZ ARG 34 -2.072 2.556 -5.044 1.00 0.00 ATOM 258 NH1 ARG 34 -1.624 3.780 -5.121 1.00 0.00 ATOM 259 NH2 ARG 34 -3.358 2.338 -4.987 1.00 0.00 ATOM 260 O ARG 34 4.407 2.856 -6.218 1.00 0.00 ATOM 261 C ARG 34 4.311 2.803 -4.992 1.00 0.00 ATOM 262 N GLN 35 5.154 3.424 -4.172 1.00 0.00 ATOM 263 CA GLN 35 6.263 4.220 -4.689 1.00 0.00 ATOM 264 CB GLN 35 7.031 4.858 -3.526 1.00 0.00 ATOM 265 CG GLN 35 8.288 5.566 -4.049 1.00 0.00 ATOM 266 CD GLN 35 7.915 6.612 -5.097 1.00 0.00 ATOM 267 OE1 GLN 35 6.932 7.338 -4.933 1.00 0.00 ATOM 268 NE2 GLN 35 8.647 6.736 -6.171 1.00 0.00 ATOM 269 O GLN 35 7.708 3.782 -6.556 1.00 0.00 ATOM 270 C GLN 35 7.205 3.351 -5.517 1.00 0.00 ATOM 271 N GLU 36 7.433 2.125 -5.053 1.00 0.00 ATOM 272 CA GLU 36 8.312 1.201 -5.761 1.00 0.00 ATOM 273 CB GLU 36 8.508 -0.072 -4.933 1.00 0.00 ATOM 274 CG GLU 36 9.324 -1.094 -5.735 1.00 0.00 ATOM 275 CD GLU 36 9.692 -2.286 -4.853 1.00 0.00 ATOM 276 OE1 GLU 36 10.800 -2.778 -4.989 1.00 0.00 ATOM 277 OE2 GLU 36 8.859 -2.693 -4.058 1.00 0.00 ATOM 278 O GLU 36 8.377 1.001 -8.151 1.00 0.00 ATOM 279 C GLU 36 7.720 0.847 -7.121 1.00 0.00 ATOM 280 N TYR 37 6.475 0.372 -7.116 1.00 0.00 ATOM 281 CA TYR 37 5.803 -0.000 -8.357 1.00 0.00 ATOM 282 CB TYR 37 4.350 -0.396 -8.078 1.00 0.00 ATOM 283 CG TYR 37 3.621 -0.591 -9.390 1.00 0.00 ATOM 284 CD1 TYR 37 2.604 0.296 -9.766 1.00 0.00 ATOM 285 CD2 TYR 37 3.971 -1.652 -10.236 1.00 0.00 ATOM 286 CE1 TYR 37 1.937 0.122 -10.985 1.00 0.00 ATOM 287 CE2 TYR 37 3.303 -1.826 -11.454 1.00 0.00 ATOM 288 CZ TYR 37 2.287 -0.939 -11.829 1.00 0.00 ATOM 289 OH TYR 37 1.632 -1.109 -13.031 1.00 0.00 ATOM 290 O TYR 37 6.140 0.964 -10.524 1.00 0.00 ATOM 291 C TYR 37 5.836 1.157 -9.351 1.00 0.00 ATOM 292 N LEU 38 5.520 2.356 -8.869 1.00 0.00 ATOM 293 CA LEU 38 5.517 3.541 -9.723 1.00 0.00 ATOM 294 CB LEU 38 5.118 4.775 -8.900 1.00 0.00 ATOM 295 CG LEU 38 3.657 5.154 -9.177 1.00 0.00 ATOM 296 CD1 LEU 38 3.506 5.618 -10.630 1.00 0.00 ATOM 297 CD2 LEU 38 2.751 3.942 -8.928 1.00 0.00 ATOM 298 O LEU 38 7.013 4.180 -11.492 1.00 0.00 ATOM 299 C LEU 38 6.897 3.766 -10.339 1.00 0.00 ATOM 300 N LYS 39 7.938 3.497 -9.554 1.00 0.00 ATOM 301 CA LYS 39 9.312 3.681 -10.015 1.00 0.00 ATOM 302 CB LYS 39 10.279 3.464 -8.847 1.00 0.00 ATOM 303 CG LYS 39 11.611 4.161 -9.141 1.00 0.00 ATOM 304 CD LYS 39 12.568 3.958 -7.961 1.00 0.00 ATOM 305 CE LYS 39 13.296 2.619 -8.111 1.00 0.00 ATOM 306 NZ LYS 39 13.805 2.177 -6.782 1.00 0.00 ATOM 307 O LYS 39 10.470 3.038 -12.018 1.00 0.00 ATOM 308 C LYS 39 9.657 2.716 -11.151 1.00 0.00 ATOM 309 N GLY 40 9.046 1.533 -11.137 1.00 0.00 ATOM 310 CA GLY 40 9.314 0.534 -12.171 1.00 0.00 ATOM 311 O GLY 40 8.475 0.186 -14.389 1.00 0.00 ATOM 312 C GLY 40 8.216 0.518 -13.232 1.00 0.00 ATOM 313 N PHE 41 6.999 0.880 -12.819 1.00 0.00 ATOM 314 CA PHE 41 5.834 0.915 -13.712 1.00 0.00 ATOM 315 CB PHE 41 5.527 2.370 -14.096 1.00 0.00 ATOM 316 CG PHE 41 4.206 2.440 -14.829 1.00 0.00 ATOM 317 CD1 PHE 41 4.160 2.899 -16.152 1.00 0.00 ATOM 318 CD2 PHE 41 3.025 2.051 -14.182 1.00 0.00 ATOM 319 CE1 PHE 41 2.936 2.967 -16.827 1.00 0.00 ATOM 320 CE2 PHE 41 1.802 2.119 -14.859 1.00 0.00 ATOM 321 CZ PHE 41 1.757 2.577 -16.181 1.00 0.00 ATOM 322 O PHE 41 6.029 -1.174 -14.887 1.00 0.00 ATOM 323 C PHE 41 6.051 0.055 -14.966 1.00 0.00 ATOM 324 N ARG 42 6.264 0.701 -16.115 1.00 0.00 ATOM 325 CA ARG 42 6.486 -0.024 -17.365 1.00 0.00 ATOM 326 CB ARG 42 5.980 0.807 -18.552 1.00 0.00 ATOM 327 CG ARG 42 6.867 2.043 -18.745 1.00 0.00 ATOM 328 CD ARG 42 6.177 3.028 -19.691 1.00 0.00 ATOM 329 NE ARG 42 7.053 4.162 -19.962 1.00 0.00 ATOM 330 CZ ARG 42 6.659 5.174 -20.730 1.00 0.00 ATOM 331 NH1 ARG 42 5.464 5.174 -21.257 1.00 0.00 ATOM 332 NH2 ARG 42 7.469 6.171 -20.955 1.00 0.00 ATOM 333 O ARG 42 8.338 -1.400 -18.038 1.00 0.00 ATOM 334 C ARG 42 7.971 -0.331 -17.548 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 T0335.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.810 # GDT_score = -66.071 # GDT_score(maxd=8.000,maxw=2.900)= -70.630 # GDT_score(maxd=8.000,maxw=3.200)= -67.588 # GDT_score(maxd=8.000,maxw=3.500)= -64.574 # GDT_score(maxd=10.000,maxw=3.800)= -66.157 # GDT_score(maxd=10.000,maxw=4.000)= -64.275 # GDT_score(maxd=10.000,maxw=4.200)= -62.461 # GDT_score(maxd=12.000,maxw=4.300)= -64.967 # GDT_score(maxd=12.000,maxw=4.500)= -63.230 # GDT_score(maxd=12.000,maxw=4.700)= -61.512 # GDT_score(maxd=14.000,maxw=5.200)= -60.142 # GDT_score(maxd=14.000,maxw=5.500)= -57.770 # command:# ReadConformPDB reading from PDB file T0335.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.548 # GDT_score = -46.429 # GDT_score(maxd=8.000,maxw=2.900)= -47.001 # GDT_score(maxd=8.000,maxw=3.200)= -46.152 # GDT_score(maxd=8.000,maxw=3.500)= -44.987 # GDT_score(maxd=10.000,maxw=3.800)= -45.903 # GDT_score(maxd=10.000,maxw=4.000)= -45.043 # GDT_score(maxd=10.000,maxw=4.200)= -44.259 # GDT_score(maxd=12.000,maxw=4.300)= -45.496 # GDT_score(maxd=12.000,maxw=4.500)= -44.744 # GDT_score(maxd=12.000,maxw=4.700)= -44.017 # GDT_score(maxd=14.000,maxw=5.200)= -43.525 # GDT_score(maxd=14.000,maxw=5.500)= -42.473 # command:# ReadConformPDB reading from PDB file T0335.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0335.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0335.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0335 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 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # ReadConformPDB reading from PDB file T0335.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try1-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try15-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0335.try15-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0335.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try17-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 52 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 52 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt2-rotated-helix.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try28-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try29-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try29-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt1.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt2.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try31-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try31-opt1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try31-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try31-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try31-opt2.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try31-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try32-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try32-opt1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try32-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try32-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try32-opt2.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try32-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try33-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try33-opt1.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try33-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try33-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try33-opt2.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try33-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try5-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try6-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try8-opt2-four-helix-bundle.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try8-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-try8-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file extended-M1-H77-try2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file extended-M1-H77-try6.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file extended-M1-H77-try7.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_585900054.pdb -s /var/tmp/to_scwrl_585900054.seq -o /var/tmp/from_scwrl_585900054.pdb > /var/tmp/scwrl_585900054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585900054.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_581677722.pdb -s /var/tmp/to_scwrl_581677722.seq -o /var/tmp/from_scwrl_581677722.pdb > /var/tmp/scwrl_581677722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_581677722.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1388053132.pdb -s /var/tmp/to_scwrl_1388053132.seq -o /var/tmp/from_scwrl_1388053132.pdb > /var/tmp/scwrl_1388053132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1388053132.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2140829350.pdb -s /var/tmp/to_scwrl_2140829350.seq -o /var/tmp/from_scwrl_2140829350.pdb > /var/tmp/scwrl_2140829350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2140829350.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1332311623.pdb -s /var/tmp/to_scwrl_1332311623.seq -o /var/tmp/from_scwrl_1332311623.pdb > /var/tmp/scwrl_1332311623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332311623.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1575157579.pdb -s /var/tmp/to_scwrl_1575157579.seq -o /var/tmp/from_scwrl_1575157579.pdb > /var/tmp/scwrl_1575157579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1575157579.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1706181142.pdb -s /var/tmp/to_scwrl_1706181142.seq -o /var/tmp/from_scwrl_1706181142.pdb > /var/tmp/scwrl_1706181142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1706181142.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1184979363.pdb -s /var/tmp/to_scwrl_1184979363.seq -o /var/tmp/from_scwrl_1184979363.pdb > /var/tmp/scwrl_1184979363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1184979363.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_651366682.pdb -s /var/tmp/to_scwrl_651366682.seq -o /var/tmp/from_scwrl_651366682.pdb > /var/tmp/scwrl_651366682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_651366682.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1400288580.pdb -s /var/tmp/to_scwrl_1400288580.seq -o /var/tmp/from_scwrl_1400288580.pdb > /var/tmp/scwrl_1400288580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400288580.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2051275836.pdb -s /var/tmp/to_scwrl_2051275836.seq -o /var/tmp/from_scwrl_2051275836.pdb > /var/tmp/scwrl_2051275836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051275836.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_581965964.pdb -s /var/tmp/to_scwrl_581965964.seq -o /var/tmp/from_scwrl_581965964.pdb > /var/tmp/scwrl_581965964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_581965964.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_848158835.pdb -s /var/tmp/to_scwrl_848158835.seq -o /var/tmp/from_scwrl_848158835.pdb > /var/tmp/scwrl_848158835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848158835.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 50 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1669147050.pdb -s /var/tmp/to_scwrl_1669147050.seq -o /var/tmp/from_scwrl_1669147050.pdb > /var/tmp/scwrl_1669147050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669147050.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_240475231.pdb -s /var/tmp/to_scwrl_240475231.seq -o /var/tmp/from_scwrl_240475231.pdb > /var/tmp/scwrl_240475231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240475231.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 55 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1922062482.pdb -s /var/tmp/to_scwrl_1922062482.seq -o /var/tmp/from_scwrl_1922062482.pdb > /var/tmp/scwrl_1922062482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1922062482.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 80 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1241166560.pdb -s /var/tmp/to_scwrl_1241166560.seq -o /var/tmp/from_scwrl_1241166560.pdb > /var/tmp/scwrl_1241166560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1241166560.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 73 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_989484841.pdb -s /var/tmp/to_scwrl_989484841.seq -o /var/tmp/from_scwrl_989484841.pdb > /var/tmp/scwrl_989484841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_989484841.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 68 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_133032190.pdb -s /var/tmp/to_scwrl_133032190.seq -o /var/tmp/from_scwrl_133032190.pdb > /var/tmp/scwrl_133032190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_133032190.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 80 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1421158822.pdb -s /var/tmp/to_scwrl_1421158822.seq -o /var/tmp/from_scwrl_1421158822.pdb > /var/tmp/scwrl_1421158822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421158822.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 82 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_853241837.pdb -s /var/tmp/to_scwrl_853241837.seq -o /var/tmp/from_scwrl_853241837.pdb > /var/tmp/scwrl_853241837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853241837.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 64 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_435646896.pdb -s /var/tmp/to_scwrl_435646896.seq -o /var/tmp/from_scwrl_435646896.pdb > /var/tmp/scwrl_435646896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_435646896.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 77 ; scwrl -i /var/tmp/to_scwrl_1415163614.pdb -s /var/tmp/to_scwrl_1415163614.seq -o /var/tmp/from_scwrl_1415163614.pdb > /var/tmp/scwrl_1415163614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1415163614.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1253883143.pdb -s /var/tmp/to_scwrl_1253883143.seq -o /var/tmp/from_scwrl_1253883143.pdb > /var/tmp/scwrl_1253883143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1253883143.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_849949999.pdb -s /var/tmp/to_scwrl_849949999.seq -o /var/tmp/from_scwrl_849949999.pdb > /var/tmp/scwrl_849949999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_849949999.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 83 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_3414295.pdb -s /var/tmp/to_scwrl_3414295.seq -o /var/tmp/from_scwrl_3414295.pdb > /var/tmp/scwrl_3414295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3414295.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 82 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1353149655.pdb -s /var/tmp/to_scwrl_1353149655.seq -o /var/tmp/from_scwrl_1353149655.pdb > /var/tmp/scwrl_1353149655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1353149655.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_202526032.pdb -s /var/tmp/to_scwrl_202526032.seq -o /var/tmp/from_scwrl_202526032.pdb > /var/tmp/scwrl_202526032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_202526032.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_443150549.pdb -s /var/tmp/to_scwrl_443150549.seq -o /var/tmp/from_scwrl_443150549.pdb > /var/tmp/scwrl_443150549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_443150549.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_558879335.pdb -s /var/tmp/to_scwrl_558879335.seq -o /var/tmp/from_scwrl_558879335.pdb > /var/tmp/scwrl_558879335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558879335.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 T0335 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_521644733.pdb -s /var/tmp/to_scwrl_521644733.seq -o /var/tmp/from_scwrl_521644733.pdb > /var/tmp/scwrl_521644733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_521644733.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1029050603.pdb -s /var/tmp/to_scwrl_1029050603.seq -o /var/tmp/from_scwrl_1029050603.pdb > /var/tmp/scwrl_1029050603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029050603.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 T0335 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1140557056.pdb -s /var/tmp/to_scwrl_1140557056.seq -o /var/tmp/from_scwrl_1140557056.pdb > /var/tmp/scwrl_1140557056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140557056.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1909697865.pdb -s /var/tmp/to_scwrl_1909697865.seq -o /var/tmp/from_scwrl_1909697865.pdb > /var/tmp/scwrl_1909697865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1909697865.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 T0335 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1022396307.pdb -s /var/tmp/to_scwrl_1022396307.seq -o /var/tmp/from_scwrl_1022396307.pdb > /var/tmp/scwrl_1022396307.log Error: can't open any of /var/tmp/from_scwrl_1022396307.pdb or /var/tmp/from_scwrl_1022396307_b.pdb or /var/tmp/from_scwrl_1022396307_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 T0335 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_325385033.pdb -s /var/tmp/to_scwrl_325385033.seq -o /var/tmp/from_scwrl_325385033.pdb > /var/tmp/scwrl_325385033.log Error: can't open any of /var/tmp/from_scwrl_325385033.pdb or /var/tmp/from_scwrl_325385033_b.pdb or /var/tmp/from_scwrl_325385033_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 T0335 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1337371797.pdb -s /var/tmp/to_scwrl_1337371797.seq -o /var/tmp/from_scwrl_1337371797.pdb > /var/tmp/scwrl_1337371797.log Error: can't open any of /var/tmp/from_scwrl_1337371797.pdb or /var/tmp/from_scwrl_1337371797_b.pdb or /var/tmp/from_scwrl_1337371797_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 T0335 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_581093802.pdb -s /var/tmp/to_scwrl_581093802.seq -o /var/tmp/from_scwrl_581093802.pdb > /var/tmp/scwrl_581093802.log Error: can't open any of /var/tmp/from_scwrl_581093802.pdb or /var/tmp/from_scwrl_581093802_b.pdb or /var/tmp/from_scwrl_581093802_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 T0335 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1510364397.pdb -s /var/tmp/to_scwrl_1510364397.seq -o /var/tmp/from_scwrl_1510364397.pdb > /var/tmp/scwrl_1510364397.log Error: can't open any of /var/tmp/from_scwrl_1510364397.pdb or /var/tmp/from_scwrl_1510364397_b.pdb or /var/tmp/from_scwrl_1510364397_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 82 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1988738480.pdb -s /var/tmp/to_scwrl_1988738480.seq -o /var/tmp/from_scwrl_1988738480.pdb > /var/tmp/scwrl_1988738480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988738480.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 T0335 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1981382382.pdb -s /var/tmp/to_scwrl_1981382382.seq -o /var/tmp/from_scwrl_1981382382.pdb > /var/tmp/scwrl_1981382382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1981382382.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1414156586.pdb -s /var/tmp/to_scwrl_1414156586.seq -o /var/tmp/from_scwrl_1414156586.pdb > /var/tmp/scwrl_1414156586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414156586.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 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_423220797.pdb -s /var/tmp/to_scwrl_423220797.seq -o /var/tmp/from_scwrl_423220797.pdb > /var/tmp/scwrl_423220797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423220797.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 T0335 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_682057571.pdb -s /var/tmp/to_scwrl_682057571.seq -o /var/tmp/from_scwrl_682057571.pdb > /var/tmp/scwrl_682057571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682057571.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 84 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_935819990.pdb -s /var/tmp/to_scwrl_935819990.seq -o /var/tmp/from_scwrl_935819990.pdb > /var/tmp/scwrl_935819990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_935819990.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 84 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_663696028.pdb -s /var/tmp/to_scwrl_663696028.seq -o /var/tmp/from_scwrl_663696028.pdb > /var/tmp/scwrl_663696028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663696028.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 84 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_456636406.pdb -s /var/tmp/to_scwrl_456636406.seq -o /var/tmp/from_scwrl_456636406.pdb > /var/tmp/scwrl_456636406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_456636406.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 84 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_29502904.pdb -s /var/tmp/to_scwrl_29502904.seq -o /var/tmp/from_scwrl_29502904.pdb > /var/tmp/scwrl_29502904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29502904.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 83 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1653180868.pdb -s /var/tmp/to_scwrl_1653180868.seq -o /var/tmp/from_scwrl_1653180868.pdb > /var/tmp/scwrl_1653180868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1653180868.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_589668596.pdb -s /var/tmp/to_scwrl_589668596.seq -o /var/tmp/from_scwrl_589668596.pdb > /var/tmp/scwrl_589668596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_589668596.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 64 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1450661726.pdb -s /var/tmp/to_scwrl_1450661726.seq -o /var/tmp/from_scwrl_1450661726.pdb > /var/tmp/scwrl_1450661726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1450661726.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 65 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_358939058.pdb -s /var/tmp/to_scwrl_358939058.seq -o /var/tmp/from_scwrl_358939058.pdb > /var/tmp/scwrl_358939058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358939058.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 77 ; scwrl -i /var/tmp/to_scwrl_1025315492.pdb -s /var/tmp/to_scwrl_1025315492.seq -o /var/tmp/from_scwrl_1025315492.pdb > /var/tmp/scwrl_1025315492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1025315492.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 49 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_718341694.pdb -s /var/tmp/to_scwrl_718341694.seq -o /var/tmp/from_scwrl_718341694.pdb > /var/tmp/scwrl_718341694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_718341694.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 T0335 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1612822201.pdb -s /var/tmp/to_scwrl_1612822201.seq -o /var/tmp/from_scwrl_1612822201.pdb > /var/tmp/scwrl_1612822201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612822201.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1875265491.pdb -s /var/tmp/to_scwrl_1875265491.seq -o /var/tmp/from_scwrl_1875265491.pdb > /var/tmp/scwrl_1875265491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1875265491.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_721755989.pdb -s /var/tmp/to_scwrl_721755989.seq -o /var/tmp/from_scwrl_721755989.pdb > /var/tmp/scwrl_721755989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_721755989.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 T0335 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_818488210.pdb -s /var/tmp/to_scwrl_818488210.seq -o /var/tmp/from_scwrl_818488210.pdb > /var/tmp/scwrl_818488210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_818488210.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 T0335 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2077791523.pdb -s /var/tmp/to_scwrl_2077791523.seq -o /var/tmp/from_scwrl_2077791523.pdb > /var/tmp/scwrl_2077791523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2077791523.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 T0335 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1164906538.pdb -s /var/tmp/to_scwrl_1164906538.seq -o /var/tmp/from_scwrl_1164906538.pdb > /var/tmp/scwrl_1164906538.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1164906538.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1377367544.pdb -s /var/tmp/to_scwrl_1377367544.seq -o /var/tmp/from_scwrl_1377367544.pdb > /var/tmp/scwrl_1377367544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1377367544.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_451952609.pdb -s /var/tmp/to_scwrl_451952609.seq -o /var/tmp/from_scwrl_451952609.pdb > /var/tmp/scwrl_451952609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_451952609.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 T0335 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_46473494.pdb -s /var/tmp/to_scwrl_46473494.seq -o /var/tmp/from_scwrl_46473494.pdb > /var/tmp/scwrl_46473494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_46473494.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 T0335 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_370440955.pdb -s /var/tmp/to_scwrl_370440955.seq -o /var/tmp/from_scwrl_370440955.pdb > /var/tmp/scwrl_370440955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_370440955.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 69 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_214166827.pdb -s /var/tmp/to_scwrl_214166827.seq -o /var/tmp/from_scwrl_214166827.pdb > /var/tmp/scwrl_214166827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214166827.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 55 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1068869801.pdb -s /var/tmp/to_scwrl_1068869801.seq -o /var/tmp/from_scwrl_1068869801.pdb > /var/tmp/scwrl_1068869801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1068869801.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 82 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_695825988.pdb -s /var/tmp/to_scwrl_695825988.seq -o /var/tmp/from_scwrl_695825988.pdb > /var/tmp/scwrl_695825988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695825988.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1551538624.pdb -s /var/tmp/to_scwrl_1551538624.seq -o /var/tmp/from_scwrl_1551538624.pdb > /var/tmp/scwrl_1551538624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1551538624.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 82 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1649963603.pdb -s /var/tmp/to_scwrl_1649963603.seq -o /var/tmp/from_scwrl_1649963603.pdb > /var/tmp/scwrl_1649963603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1649963603.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 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_58706738.pdb -s /var/tmp/to_scwrl_58706738.seq -o /var/tmp/from_scwrl_58706738.pdb > /var/tmp/scwrl_58706738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_58706738.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 # Found a chain break before 35 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1392793457.pdb -s /var/tmp/to_scwrl_1392793457.seq -o /var/tmp/from_scwrl_1392793457.pdb > /var/tmp/scwrl_1392793457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392793457.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1483862338.pdb -s /var/tmp/to_scwrl_1483862338.seq -o /var/tmp/from_scwrl_1483862338.pdb > /var/tmp/scwrl_1483862338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1483862338.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 # Found a chain break before 28 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1472863324.pdb -s /var/tmp/to_scwrl_1472863324.seq -o /var/tmp/from_scwrl_1472863324.pdb > /var/tmp/scwrl_1472863324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1472863324.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1816014254.pdb -s /var/tmp/to_scwrl_1816014254.seq -o /var/tmp/from_scwrl_1816014254.pdb > /var/tmp/scwrl_1816014254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1816014254.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_18436262.pdb -s /var/tmp/to_scwrl_18436262.seq -o /var/tmp/from_scwrl_18436262.pdb > /var/tmp/scwrl_18436262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_18436262.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_261199668.pdb -s /var/tmp/to_scwrl_261199668.seq -o /var/tmp/from_scwrl_261199668.pdb > /var/tmp/scwrl_261199668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261199668.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_332226635.pdb -s /var/tmp/to_scwrl_332226635.seq -o /var/tmp/from_scwrl_332226635.pdb > /var/tmp/scwrl_332226635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_332226635.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_475072668.pdb -s /var/tmp/to_scwrl_475072668.seq -o /var/tmp/from_scwrl_475072668.pdb > /var/tmp/scwrl_475072668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_475072668.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_290702572.pdb -s /var/tmp/to_scwrl_290702572.seq -o /var/tmp/from_scwrl_290702572.pdb > /var/tmp/scwrl_290702572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_290702572.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 83 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1985407503.pdb -s /var/tmp/to_scwrl_1985407503.seq -o /var/tmp/from_scwrl_1985407503.pdb > /var/tmp/scwrl_1985407503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1985407503.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 84 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1064741264.pdb -s /var/tmp/to_scwrl_1064741264.seq -o /var/tmp/from_scwrl_1064741264.pdb > /var/tmp/scwrl_1064741264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1064741264.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 84 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1741364298.pdb -s /var/tmp/to_scwrl_1741364298.seq -o /var/tmp/from_scwrl_1741364298.pdb > /var/tmp/scwrl_1741364298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741364298.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 81 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_196862914.pdb -s /var/tmp/to_scwrl_196862914.seq -o /var/tmp/from_scwrl_196862914.pdb > /var/tmp/scwrl_196862914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196862914.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 77 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2090056756.pdb -s /var/tmp/to_scwrl_2090056756.seq -o /var/tmp/from_scwrl_2090056756.pdb > /var/tmp/scwrl_2090056756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2090056756.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_312222345.pdb -s /var/tmp/to_scwrl_312222345.seq -o /var/tmp/from_scwrl_312222345.pdb > /var/tmp/scwrl_312222345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_312222345.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1809685115.pdb -s /var/tmp/to_scwrl_1809685115.seq -o /var/tmp/from_scwrl_1809685115.pdb > /var/tmp/scwrl_1809685115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809685115.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 71 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1817838600.pdb -s /var/tmp/to_scwrl_1817838600.seq -o /var/tmp/from_scwrl_1817838600.pdb > /var/tmp/scwrl_1817838600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1817838600.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 30 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1033978335.pdb -s /var/tmp/to_scwrl_1033978335.seq -o /var/tmp/from_scwrl_1033978335.pdb > /var/tmp/scwrl_1033978335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1033978335.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_480689679.pdb -s /var/tmp/to_scwrl_480689679.seq -o /var/tmp/from_scwrl_480689679.pdb > /var/tmp/scwrl_480689679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_480689679.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1748146476.pdb -s /var/tmp/to_scwrl_1748146476.seq -o /var/tmp/from_scwrl_1748146476.pdb > /var/tmp/scwrl_1748146476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1748146476.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_51401226.pdb -s /var/tmp/to_scwrl_51401226.seq -o /var/tmp/from_scwrl_51401226.pdb > /var/tmp/scwrl_51401226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_51401226.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1858057223.pdb -s /var/tmp/to_scwrl_1858057223.seq -o /var/tmp/from_scwrl_1858057223.pdb > /var/tmp/scwrl_1858057223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858057223.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_52615438.pdb -s /var/tmp/to_scwrl_52615438.seq -o /var/tmp/from_scwrl_52615438.pdb > /var/tmp/scwrl_52615438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_52615438.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_97874720.pdb -s /var/tmp/to_scwrl_97874720.seq -o /var/tmp/from_scwrl_97874720.pdb > /var/tmp/scwrl_97874720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_97874720.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_81014531.pdb -s /var/tmp/to_scwrl_81014531.seq -o /var/tmp/from_scwrl_81014531.pdb > /var/tmp/scwrl_81014531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_81014531.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_266782265.pdb -s /var/tmp/to_scwrl_266782265.seq -o /var/tmp/from_scwrl_266782265.pdb > /var/tmp/scwrl_266782265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266782265.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 T0335 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1166744521.pdb -s /var/tmp/to_scwrl_1166744521.seq -o /var/tmp/from_scwrl_1166744521.pdb > /var/tmp/scwrl_1166744521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1166744521.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 T0335 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_776840520.pdb -s /var/tmp/to_scwrl_776840520.seq -o /var/tmp/from_scwrl_776840520.pdb > /var/tmp/scwrl_776840520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776840520.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 T0335 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1818320889.pdb -s /var/tmp/to_scwrl_1818320889.seq -o /var/tmp/from_scwrl_1818320889.pdb > /var/tmp/scwrl_1818320889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1818320889.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 T0335 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_669224478.pdb -s /var/tmp/to_scwrl_669224478.seq -o /var/tmp/from_scwrl_669224478.pdb > /var/tmp/scwrl_669224478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669224478.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 T0335 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_835547258.pdb -s /var/tmp/to_scwrl_835547258.seq -o /var/tmp/from_scwrl_835547258.pdb > /var/tmp/scwrl_835547258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_835547258.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 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1063630701.pdb -s /var/tmp/to_scwrl_1063630701.seq -o /var/tmp/from_scwrl_1063630701.pdb > /var/tmp/scwrl_1063630701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1063630701.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_5603169.pdb -s /var/tmp/to_scwrl_5603169.seq -o /var/tmp/from_scwrl_5603169.pdb > /var/tmp/scwrl_5603169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_5603169.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 T0335 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_160926936.pdb -s /var/tmp/to_scwrl_160926936.seq -o /var/tmp/from_scwrl_160926936.pdb > /var/tmp/scwrl_160926936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_160926936.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 T0335 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_732161308.pdb -s /var/tmp/to_scwrl_732161308.seq -o /var/tmp/from_scwrl_732161308.pdb > /var/tmp/scwrl_732161308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732161308.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 T0335 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_24039432.pdb -s /var/tmp/to_scwrl_24039432.seq -o /var/tmp/from_scwrl_24039432.pdb > /var/tmp/scwrl_24039432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24039432.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 19 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_422126604.pdb -s /var/tmp/to_scwrl_422126604.seq -o /var/tmp/from_scwrl_422126604.pdb > /var/tmp/scwrl_422126604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422126604.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 52 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1064387944.pdb -s /var/tmp/to_scwrl_1064387944.seq -o /var/tmp/from_scwrl_1064387944.pdb > /var/tmp/scwrl_1064387944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1064387944.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 9 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_499112100.pdb -s /var/tmp/to_scwrl_499112100.seq -o /var/tmp/from_scwrl_499112100.pdb > /var/tmp/scwrl_499112100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499112100.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_712829176.pdb -s /var/tmp/to_scwrl_712829176.seq -o /var/tmp/from_scwrl_712829176.pdb > /var/tmp/scwrl_712829176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712829176.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 79 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_902311800.pdb -s /var/tmp/to_scwrl_902311800.seq -o /var/tmp/from_scwrl_902311800.pdb > /var/tmp/scwrl_902311800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902311800.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 34 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1563853364.pdb -s /var/tmp/to_scwrl_1563853364.seq -o /var/tmp/from_scwrl_1563853364.pdb > /var/tmp/scwrl_1563853364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563853364.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_306709827.pdb -s /var/tmp/to_scwrl_306709827.seq -o /var/tmp/from_scwrl_306709827.pdb > /var/tmp/scwrl_306709827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_306709827.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 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1099174714.pdb -s /var/tmp/to_scwrl_1099174714.seq -o /var/tmp/from_scwrl_1099174714.pdb > /var/tmp/scwrl_1099174714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1099174714.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 54 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1506426473.pdb -s /var/tmp/to_scwrl_1506426473.seq -o /var/tmp/from_scwrl_1506426473.pdb > /var/tmp/scwrl_1506426473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1506426473.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 73 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_618932172.pdb -s /var/tmp/to_scwrl_618932172.seq -o /var/tmp/from_scwrl_618932172.pdb > /var/tmp/scwrl_618932172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618932172.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 84 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_761376183.pdb -s /var/tmp/to_scwrl_761376183.seq -o /var/tmp/from_scwrl_761376183.pdb > /var/tmp/scwrl_761376183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761376183.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 80 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1176781426.pdb -s /var/tmp/to_scwrl_1176781426.seq -o /var/tmp/from_scwrl_1176781426.pdb > /var/tmp/scwrl_1176781426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176781426.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 76 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1652910506.pdb -s /var/tmp/to_scwrl_1652910506.seq -o /var/tmp/from_scwrl_1652910506.pdb > /var/tmp/scwrl_1652910506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1652910506.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 84 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1242065861.pdb -s /var/tmp/to_scwrl_1242065861.seq -o /var/tmp/from_scwrl_1242065861.pdb > /var/tmp/scwrl_1242065861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1242065861.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 84 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_777444256.pdb -s /var/tmp/to_scwrl_777444256.seq -o /var/tmp/from_scwrl_777444256.pdb > /var/tmp/scwrl_777444256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_777444256.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 T0335 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 77 ; scwrl -i /var/tmp/to_scwrl_1704311732.pdb -s /var/tmp/to_scwrl_1704311732.seq -o /var/tmp/from_scwrl_1704311732.pdb > /var/tmp/scwrl_1704311732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704311732.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_952639439.pdb -s /var/tmp/to_scwrl_952639439.seq -o /var/tmp/from_scwrl_952639439.pdb > /var/tmp/scwrl_952639439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_952639439.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_830059694.pdb -s /var/tmp/to_scwrl_830059694.seq -o /var/tmp/from_scwrl_830059694.pdb > /var/tmp/scwrl_830059694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830059694.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1802186453.pdb -s /var/tmp/to_scwrl_1802186453.seq -o /var/tmp/from_scwrl_1802186453.pdb > /var/tmp/scwrl_1802186453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1802186453.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1033653970.pdb -s /var/tmp/to_scwrl_1033653970.seq -o /var/tmp/from_scwrl_1033653970.pdb > /var/tmp/scwrl_1033653970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1033653970.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1096841958.pdb -s /var/tmp/to_scwrl_1096841958.seq -o /var/tmp/from_scwrl_1096841958.pdb > /var/tmp/scwrl_1096841958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1096841958.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_821447328.pdb -s /var/tmp/to_scwrl_821447328.seq -o /var/tmp/from_scwrl_821447328.pdb > /var/tmp/scwrl_821447328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_821447328.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 77 ; scwrl -i /var/tmp/to_scwrl_1810494489.pdb -s /var/tmp/to_scwrl_1810494489.seq -o /var/tmp/from_scwrl_1810494489.pdb > /var/tmp/scwrl_1810494489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1810494489.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 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_767679201.pdb -s /var/tmp/to_scwrl_767679201.seq -o /var/tmp/from_scwrl_767679201.pdb > /var/tmp/scwrl_767679201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_767679201.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1490671805.pdb -s /var/tmp/to_scwrl_1490671805.seq -o /var/tmp/from_scwrl_1490671805.pdb > /var/tmp/scwrl_1490671805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490671805.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_498558101.pdb -s /var/tmp/to_scwrl_498558101.seq -o /var/tmp/from_scwrl_498558101.pdb > /var/tmp/scwrl_498558101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498558101.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 77 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1831309901.pdb -s /var/tmp/to_scwrl_1831309901.seq -o /var/tmp/from_scwrl_1831309901.pdb > /var/tmp/scwrl_1831309901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1831309901.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1496274974.pdb -s /var/tmp/to_scwrl_1496274974.seq -o /var/tmp/from_scwrl_1496274974.pdb > /var/tmp/scwrl_1496274974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1496274974.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_659485037.pdb -s /var/tmp/to_scwrl_659485037.seq -o /var/tmp/from_scwrl_659485037.pdb > /var/tmp/scwrl_659485037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_659485037.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_415987563.pdb -s /var/tmp/to_scwrl_415987563.seq -o /var/tmp/from_scwrl_415987563.pdb > /var/tmp/scwrl_415987563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_415987563.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 62 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1520314406.pdb -s /var/tmp/to_scwrl_1520314406.seq -o /var/tmp/from_scwrl_1520314406.pdb > /var/tmp/scwrl_1520314406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1520314406.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1081611640.pdb -s /var/tmp/to_scwrl_1081611640.seq -o /var/tmp/from_scwrl_1081611640.pdb > /var/tmp/scwrl_1081611640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081611640.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 T0335 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1480375506.pdb -s /var/tmp/to_scwrl_1480375506.seq -o /var/tmp/from_scwrl_1480375506.pdb > /var/tmp/scwrl_1480375506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480375506.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2019426507.pdb -s /var/tmp/to_scwrl_2019426507.seq -o /var/tmp/from_scwrl_2019426507.pdb > /var/tmp/scwrl_2019426507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2019426507.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1794440816.pdb -s /var/tmp/to_scwrl_1794440816.seq -o /var/tmp/from_scwrl_1794440816.pdb > /var/tmp/scwrl_1794440816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1794440816.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 # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_235203659.pdb -s /var/tmp/to_scwrl_235203659.seq -o /var/tmp/from_scwrl_235203659.pdb > /var/tmp/scwrl_235203659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235203659.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 T0335 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1435796224.pdb -s /var/tmp/to_scwrl_1435796224.seq -o /var/tmp/from_scwrl_1435796224.pdb > /var/tmp/scwrl_1435796224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1435796224.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 # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2101150643.pdb -s /var/tmp/to_scwrl_2101150643.seq -o /var/tmp/from_scwrl_2101150643.pdb > /var/tmp/scwrl_2101150643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101150643.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 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1334378373.pdb -s /var/tmp/to_scwrl_1334378373.seq -o /var/tmp/from_scwrl_1334378373.pdb > /var/tmp/scwrl_1334378373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1334378373.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_794739051.pdb -s /var/tmp/to_scwrl_794739051.seq -o /var/tmp/from_scwrl_794739051.pdb > /var/tmp/scwrl_794739051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_794739051.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 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_572599168.pdb -s /var/tmp/to_scwrl_572599168.seq -o /var/tmp/from_scwrl_572599168.pdb > /var/tmp/scwrl_572599168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_572599168.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2095754557.pdb -s /var/tmp/to_scwrl_2095754557.seq -o /var/tmp/from_scwrl_2095754557.pdb > /var/tmp/scwrl_2095754557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095754557.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1971520477.pdb -s /var/tmp/to_scwrl_1971520477.seq -o /var/tmp/from_scwrl_1971520477.pdb > /var/tmp/scwrl_1971520477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1971520477.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_78026028.pdb -s /var/tmp/to_scwrl_78026028.seq -o /var/tmp/from_scwrl_78026028.pdb > /var/tmp/scwrl_78026028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78026028.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 77 ; scwrl -i /var/tmp/to_scwrl_1190336771.pdb -s /var/tmp/to_scwrl_1190336771.seq -o /var/tmp/from_scwrl_1190336771.pdb > /var/tmp/scwrl_1190336771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1190336771.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_601481086.pdb -s /var/tmp/to_scwrl_601481086.seq -o /var/tmp/from_scwrl_601481086.pdb > /var/tmp/scwrl_601481086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_601481086.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 # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1782337760.pdb -s /var/tmp/to_scwrl_1782337760.seq -o /var/tmp/from_scwrl_1782337760.pdb > /var/tmp/scwrl_1782337760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782337760.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 50 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2142976210.pdb -s /var/tmp/to_scwrl_2142976210.seq -o /var/tmp/from_scwrl_2142976210.pdb > /var/tmp/scwrl_2142976210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2142976210.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1431540779.pdb -s /var/tmp/to_scwrl_1431540779.seq -o /var/tmp/from_scwrl_1431540779.pdb > /var/tmp/scwrl_1431540779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1431540779.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 21 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1437040566.pdb -s /var/tmp/to_scwrl_1437040566.seq -o /var/tmp/from_scwrl_1437040566.pdb > /var/tmp/scwrl_1437040566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1437040566.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 77 ; scwrl -i /var/tmp/to_scwrl_1029146534.pdb -s /var/tmp/to_scwrl_1029146534.seq -o /var/tmp/from_scwrl_1029146534.pdb > /var/tmp/scwrl_1029146534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029146534.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 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_380899091.pdb -s /var/tmp/to_scwrl_380899091.seq -o /var/tmp/from_scwrl_380899091.pdb > /var/tmp/scwrl_380899091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_380899091.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 83 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_111004247.pdb -s /var/tmp/to_scwrl_111004247.seq -o /var/tmp/from_scwrl_111004247.pdb > /var/tmp/scwrl_111004247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_111004247.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 81 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_692157376.pdb -s /var/tmp/to_scwrl_692157376.seq -o /var/tmp/from_scwrl_692157376.pdb > /var/tmp/scwrl_692157376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_692157376.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 82 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1148578291.pdb -s /var/tmp/to_scwrl_1148578291.seq -o /var/tmp/from_scwrl_1148578291.pdb > /var/tmp/scwrl_1148578291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148578291.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 53 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1601676052.pdb -s /var/tmp/to_scwrl_1601676052.seq -o /var/tmp/from_scwrl_1601676052.pdb > /var/tmp/scwrl_1601676052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1601676052.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 83 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1190715476.pdb -s /var/tmp/to_scwrl_1190715476.seq -o /var/tmp/from_scwrl_1190715476.pdb > /var/tmp/scwrl_1190715476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1190715476.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_832404547.pdb -s /var/tmp/to_scwrl_832404547.seq -o /var/tmp/from_scwrl_832404547.pdb > /var/tmp/scwrl_832404547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_832404547.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_950467381.pdb -s /var/tmp/to_scwrl_950467381.seq -o /var/tmp/from_scwrl_950467381.pdb > /var/tmp/scwrl_950467381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_950467381.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1850200513.pdb -s /var/tmp/to_scwrl_1850200513.seq -o /var/tmp/from_scwrl_1850200513.pdb > /var/tmp/scwrl_1850200513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1850200513.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 82 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1248392109.pdb -s /var/tmp/to_scwrl_1248392109.seq -o /var/tmp/from_scwrl_1248392109.pdb > /var/tmp/scwrl_1248392109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1248392109.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 76 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_323298140.pdb -s /var/tmp/to_scwrl_323298140.seq -o /var/tmp/from_scwrl_323298140.pdb > /var/tmp/scwrl_323298140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_323298140.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_784328507.pdb -s /var/tmp/to_scwrl_784328507.seq -o /var/tmp/from_scwrl_784328507.pdb > /var/tmp/scwrl_784328507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_784328507.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 77 ; scwrl -i /var/tmp/to_scwrl_581283969.pdb -s /var/tmp/to_scwrl_581283969.seq -o /var/tmp/from_scwrl_581283969.pdb > /var/tmp/scwrl_581283969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_581283969.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_195241000.pdb -s /var/tmp/to_scwrl_195241000.seq -o /var/tmp/from_scwrl_195241000.pdb > /var/tmp/scwrl_195241000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195241000.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 47 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_431285676.pdb -s /var/tmp/to_scwrl_431285676.seq -o /var/tmp/from_scwrl_431285676.pdb > /var/tmp/scwrl_431285676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431285676.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_816487628.pdb -s /var/tmp/to_scwrl_816487628.seq -o /var/tmp/from_scwrl_816487628.pdb > /var/tmp/scwrl_816487628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_816487628.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1631037224.pdb -s /var/tmp/to_scwrl_1631037224.seq -o /var/tmp/from_scwrl_1631037224.pdb > /var/tmp/scwrl_1631037224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631037224.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_384952672.pdb -s /var/tmp/to_scwrl_384952672.seq -o /var/tmp/from_scwrl_384952672.pdb > /var/tmp/scwrl_384952672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_384952672.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_3382355.pdb -s /var/tmp/to_scwrl_3382355.seq -o /var/tmp/from_scwrl_3382355.pdb > /var/tmp/scwrl_3382355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3382355.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_278292628.pdb -s /var/tmp/to_scwrl_278292628.seq -o /var/tmp/from_scwrl_278292628.pdb > /var/tmp/scwrl_278292628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_278292628.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_957551841.pdb -s /var/tmp/to_scwrl_957551841.seq -o /var/tmp/from_scwrl_957551841.pdb > /var/tmp/scwrl_957551841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957551841.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2099136912.pdb -s /var/tmp/to_scwrl_2099136912.seq -o /var/tmp/from_scwrl_2099136912.pdb > /var/tmp/scwrl_2099136912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099136912.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_102329458.pdb -s /var/tmp/to_scwrl_102329458.seq -o /var/tmp/from_scwrl_102329458.pdb > /var/tmp/scwrl_102329458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102329458.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1035577869.pdb -s /var/tmp/to_scwrl_1035577869.seq -o /var/tmp/from_scwrl_1035577869.pdb > /var/tmp/scwrl_1035577869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1035577869.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1141990036.pdb -s /var/tmp/to_scwrl_1141990036.seq -o /var/tmp/from_scwrl_1141990036.pdb > /var/tmp/scwrl_1141990036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1141990036.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_703810544.pdb -s /var/tmp/to_scwrl_703810544.seq -o /var/tmp/from_scwrl_703810544.pdb > /var/tmp/scwrl_703810544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_703810544.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_670431982.pdb -s /var/tmp/to_scwrl_670431982.seq -o /var/tmp/from_scwrl_670431982.pdb > /var/tmp/scwrl_670431982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_670431982.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1137482600.pdb -s /var/tmp/to_scwrl_1137482600.seq -o /var/tmp/from_scwrl_1137482600.pdb > /var/tmp/scwrl_1137482600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137482600.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2135351323.pdb -s /var/tmp/to_scwrl_2135351323.seq -o /var/tmp/from_scwrl_2135351323.pdb > /var/tmp/scwrl_2135351323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2135351323.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2107472549.pdb -s /var/tmp/to_scwrl_2107472549.seq -o /var/tmp/from_scwrl_2107472549.pdb > /var/tmp/scwrl_2107472549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107472549.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_19145487.pdb -s /var/tmp/to_scwrl_19145487.seq -o /var/tmp/from_scwrl_19145487.pdb > /var/tmp/scwrl_19145487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_19145487.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 21 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_368766767.pdb -s /var/tmp/to_scwrl_368766767.seq -o /var/tmp/from_scwrl_368766767.pdb > /var/tmp/scwrl_368766767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_368766767.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 77 ; scwrl -i /var/tmp/to_scwrl_70993149.pdb -s /var/tmp/to_scwrl_70993149.seq -o /var/tmp/from_scwrl_70993149.pdb > /var/tmp/scwrl_70993149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_70993149.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_711302863.pdb -s /var/tmp/to_scwrl_711302863.seq -o /var/tmp/from_scwrl_711302863.pdb > /var/tmp/scwrl_711302863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711302863.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1517345059.pdb -s /var/tmp/to_scwrl_1517345059.seq -o /var/tmp/from_scwrl_1517345059.pdb > /var/tmp/scwrl_1517345059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1517345059.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 15 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1672669202.pdb -s /var/tmp/to_scwrl_1672669202.seq -o /var/tmp/from_scwrl_1672669202.pdb > /var/tmp/scwrl_1672669202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1672669202.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 21 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1902018340.pdb -s /var/tmp/to_scwrl_1902018340.seq -o /var/tmp/from_scwrl_1902018340.pdb > /var/tmp/scwrl_1902018340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1902018340.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_202265959.pdb -s /var/tmp/to_scwrl_202265959.seq -o /var/tmp/from_scwrl_202265959.pdb > /var/tmp/scwrl_202265959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_202265959.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_475652936.pdb -s /var/tmp/to_scwrl_475652936.seq -o /var/tmp/from_scwrl_475652936.pdb > /var/tmp/scwrl_475652936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_475652936.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1604735206.pdb -s /var/tmp/to_scwrl_1604735206.seq -o /var/tmp/from_scwrl_1604735206.pdb > /var/tmp/scwrl_1604735206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1604735206.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1450658068.pdb -s /var/tmp/to_scwrl_1450658068.seq -o /var/tmp/from_scwrl_1450658068.pdb > /var/tmp/scwrl_1450658068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1450658068.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 56 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_798951076.pdb -s /var/tmp/to_scwrl_798951076.seq -o /var/tmp/from_scwrl_798951076.pdb > /var/tmp/scwrl_798951076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_798951076.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 77 ; scwrl -i /var/tmp/to_scwrl_241580067.pdb -s /var/tmp/to_scwrl_241580067.seq -o /var/tmp/from_scwrl_241580067.pdb > /var/tmp/scwrl_241580067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_241580067.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 75 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2031942037.pdb -s /var/tmp/to_scwrl_2031942037.seq -o /var/tmp/from_scwrl_2031942037.pdb > /var/tmp/scwrl_2031942037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031942037.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 52 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_994192077.pdb -s /var/tmp/to_scwrl_994192077.seq -o /var/tmp/from_scwrl_994192077.pdb > /var/tmp/scwrl_994192077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994192077.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 61 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_672865743.pdb -s /var/tmp/to_scwrl_672865743.seq -o /var/tmp/from_scwrl_672865743.pdb > /var/tmp/scwrl_672865743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_672865743.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_700946018.pdb -s /var/tmp/to_scwrl_700946018.seq -o /var/tmp/from_scwrl_700946018.pdb > /var/tmp/scwrl_700946018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_700946018.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_477745654.pdb -s /var/tmp/to_scwrl_477745654.seq -o /var/tmp/from_scwrl_477745654.pdb > /var/tmp/scwrl_477745654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_477745654.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1057818416.pdb -s /var/tmp/to_scwrl_1057818416.seq -o /var/tmp/from_scwrl_1057818416.pdb > /var/tmp/scwrl_1057818416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057818416.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_704328373.pdb -s /var/tmp/to_scwrl_704328373.seq -o /var/tmp/from_scwrl_704328373.pdb > /var/tmp/scwrl_704328373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_704328373.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_756038283.pdb -s /var/tmp/to_scwrl_756038283.seq -o /var/tmp/from_scwrl_756038283.pdb > /var/tmp/scwrl_756038283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_756038283.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_2015370256.pdb -s /var/tmp/to_scwrl_2015370256.seq -o /var/tmp/from_scwrl_2015370256.pdb > /var/tmp/scwrl_2015370256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2015370256.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_655981638.pdb -s /var/tmp/to_scwrl_655981638.seq -o /var/tmp/from_scwrl_655981638.pdb > /var/tmp/scwrl_655981638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_655981638.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_858367741.pdb -s /var/tmp/to_scwrl_858367741.seq -o /var/tmp/from_scwrl_858367741.pdb > /var/tmp/scwrl_858367741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_858367741.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_903464478.pdb -s /var/tmp/to_scwrl_903464478.seq -o /var/tmp/from_scwrl_903464478.pdb > /var/tmp/scwrl_903464478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903464478.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1797971675.pdb -s /var/tmp/to_scwrl_1797971675.seq -o /var/tmp/from_scwrl_1797971675.pdb > /var/tmp/scwrl_1797971675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1797971675.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1562178285.pdb -s /var/tmp/to_scwrl_1562178285.seq -o /var/tmp/from_scwrl_1562178285.pdb > /var/tmp/scwrl_1562178285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1562178285.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 83 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1573896459.pdb -s /var/tmp/to_scwrl_1573896459.seq -o /var/tmp/from_scwrl_1573896459.pdb > /var/tmp/scwrl_1573896459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1573896459.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 79 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_787970629.pdb -s /var/tmp/to_scwrl_787970629.seq -o /var/tmp/from_scwrl_787970629.pdb > /var/tmp/scwrl_787970629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_787970629.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 76 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1550045961.pdb -s /var/tmp/to_scwrl_1550045961.seq -o /var/tmp/from_scwrl_1550045961.pdb > /var/tmp/scwrl_1550045961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550045961.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1533885361.pdb -s /var/tmp/to_scwrl_1533885361.seq -o /var/tmp/from_scwrl_1533885361.pdb > /var/tmp/scwrl_1533885361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1533885361.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_807116116.pdb -s /var/tmp/to_scwrl_807116116.seq -o /var/tmp/from_scwrl_807116116.pdb > /var/tmp/scwrl_807116116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807116116.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 T0335 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1918812729.pdb -s /var/tmp/to_scwrl_1918812729.seq -o /var/tmp/from_scwrl_1918812729.pdb > /var/tmp/scwrl_1918812729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1918812729.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 T0335 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1604878511.pdb -s /var/tmp/to_scwrl_1604878511.seq -o /var/tmp/from_scwrl_1604878511.pdb > /var/tmp/scwrl_1604878511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1604878511.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 T0335 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1518418978.pdb -s /var/tmp/to_scwrl_1518418978.seq -o /var/tmp/from_scwrl_1518418978.pdb > /var/tmp/scwrl_1518418978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1518418978.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 T0335 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1288674141.pdb -s /var/tmp/to_scwrl_1288674141.seq -o /var/tmp/from_scwrl_1288674141.pdb > /var/tmp/scwrl_1288674141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288674141.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 T0335 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1130064066.pdb -s /var/tmp/to_scwrl_1130064066.seq -o /var/tmp/from_scwrl_1130064066.pdb > /var/tmp/scwrl_1130064066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1130064066.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 T0335 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1272953671.pdb -s /var/tmp/to_scwrl_1272953671.seq -o /var/tmp/from_scwrl_1272953671.pdb > /var/tmp/scwrl_1272953671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1272953671.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 50 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1490940100.pdb -s /var/tmp/to_scwrl_1490940100.seq -o /var/tmp/from_scwrl_1490940100.pdb > /var/tmp/scwrl_1490940100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490940100.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 77 ; scwrl -i /var/tmp/to_scwrl_1605717002.pdb -s /var/tmp/to_scwrl_1605717002.seq -o /var/tmp/from_scwrl_1605717002.pdb > /var/tmp/scwrl_1605717002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1605717002.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 21 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_730205232.pdb -s /var/tmp/to_scwrl_730205232.seq -o /var/tmp/from_scwrl_730205232.pdb > /var/tmp/scwrl_730205232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_730205232.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 47 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_794114522.pdb -s /var/tmp/to_scwrl_794114522.seq -o /var/tmp/from_scwrl_794114522.pdb > /var/tmp/scwrl_794114522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_794114522.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 72 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_257184431.pdb -s /var/tmp/to_scwrl_257184431.seq -o /var/tmp/from_scwrl_257184431.pdb > /var/tmp/scwrl_257184431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257184431.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 T0335 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_971785299.pdb -s /var/tmp/to_scwrl_971785299.seq -o /var/tmp/from_scwrl_971785299.pdb > /var/tmp/scwrl_971785299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_971785299.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 T0335 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_678572912.pdb -s /var/tmp/to_scwrl_678572912.seq -o /var/tmp/from_scwrl_678572912.pdb > /var/tmp/scwrl_678572912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_678572912.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 T0335 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1251376507.pdb -s /var/tmp/to_scwrl_1251376507.seq -o /var/tmp/from_scwrl_1251376507.pdb > /var/tmp/scwrl_1251376507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1251376507.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 T0335 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1644651041.pdb -s /var/tmp/to_scwrl_1644651041.seq -o /var/tmp/from_scwrl_1644651041.pdb > /var/tmp/scwrl_1644651041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1644651041.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 T0335 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1379518929.pdb -s /var/tmp/to_scwrl_1379518929.seq -o /var/tmp/from_scwrl_1379518929.pdb > /var/tmp/scwrl_1379518929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379518929.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 76 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1729122162.pdb -s /var/tmp/to_scwrl_1729122162.seq -o /var/tmp/from_scwrl_1729122162.pdb > /var/tmp/scwrl_1729122162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729122162.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 6 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_554985810.pdb -s /var/tmp/to_scwrl_554985810.seq -o /var/tmp/from_scwrl_554985810.pdb > /var/tmp/scwrl_554985810.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_554985810.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 77 ; scwrl -i /var/tmp/to_scwrl_2083847303.pdb -s /var/tmp/to_scwrl_2083847303.seq -o /var/tmp/from_scwrl_2083847303.pdb > /var/tmp/scwrl_2083847303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083847303.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_337676798.pdb -s /var/tmp/to_scwrl_337676798.seq -o /var/tmp/from_scwrl_337676798.pdb > /var/tmp/scwrl_337676798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337676798.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 77 ; scwrl -i /var/tmp/to_scwrl_422872419.pdb -s /var/tmp/to_scwrl_422872419.seq -o /var/tmp/from_scwrl_422872419.pdb > /var/tmp/scwrl_422872419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422872419.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 T0335 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_592345294.pdb -s /var/tmp/to_scwrl_592345294.seq -o /var/tmp/from_scwrl_592345294.pdb > /var/tmp/scwrl_592345294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592345294.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1196044538.pdb -s /var/tmp/to_scwrl_1196044538.seq -o /var/tmp/from_scwrl_1196044538.pdb > /var/tmp/scwrl_1196044538.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1196044538.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 T0335 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1326336896.pdb -s /var/tmp/to_scwrl_1326336896.seq -o /var/tmp/from_scwrl_1326336896.pdb > /var/tmp/scwrl_1326336896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1326336896.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_242833322.pdb -s /var/tmp/to_scwrl_242833322.seq -o /var/tmp/from_scwrl_242833322.pdb > /var/tmp/scwrl_242833322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242833322.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_610739177.pdb -s /var/tmp/to_scwrl_610739177.seq -o /var/tmp/from_scwrl_610739177.pdb > /var/tmp/scwrl_610739177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_610739177.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_752749710.pdb -s /var/tmp/to_scwrl_752749710.seq -o /var/tmp/from_scwrl_752749710.pdb > /var/tmp/scwrl_752749710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_752749710.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 T0335 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_1030803951.pdb -s /var/tmp/to_scwrl_1030803951.seq -o /var/tmp/from_scwrl_1030803951.pdb > /var/tmp/scwrl_1030803951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030803951.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl -i /var/tmp/to_scwrl_13301492.pdb -s /var/tmp/to_scwrl_13301492.seq -o /var/tmp/from_scwrl_13301492.pdb > /var/tmp/scwrl_13301492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13301492.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 25.987 sec, elapsed time= 548.543 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.predburial.rdb # command:# CostConform shub_TS1-scwrl costs 521.925 real_cost = 70.027 shub_TS1 costs 510.973 real_cost = 73.684 panther2_TS1-scwrl costs 852.643 real_cost = 211.852 panther2_TS1 costs 847.559 real_cost = 214.545 nFOLD_TS5-scwrl costs 451.283 real_cost = 44.487 nFOLD_TS5 costs 6504.850 real_cost = 93.134 nFOLD_TS4-scwrl costs 723.837 real_cost = 24.815 nFOLD_TS4 costs 17874.927 real_cost = 24.796 nFOLD_TS3-scwrl costs 479.601 real_cost = 48.108 nFOLD_TS3 costs 34053.011 real_cost = 99.232 nFOLD_TS2-scwrl costs 466.559 real_cost = 34.404 nFOLD_TS2 costs 28620.062 real_cost = 80.794 nFOLD_TS1-scwrl costs 480.503 real_cost = 139.319 nFOLD_TS1 costs 4273.745 real_cost = 173.772 mGen-3D_TS1-scwrl costs 430.498 real_cost = -47.961 mGen-3D_TS1 costs 2861.338 real_cost = -15.462 keasar-server_TS5-scwrl costs 429.227 real_cost = 62.613 keasar-server_TS5 costs 432.735 real_cost = 96.054 keasar-server_TS4-scwrl costs 547.614 real_cost = 339.744 keasar-server_TS4 costs 552.839 real_cost = 339.666 keasar-server_TS3-scwrl costs 429.227 real_cost = 62.613 keasar-server_TS3 costs 432.735 real_cost = 96.054 keasar-server_TS2-scwrl costs 502.180 real_cost = 308.848 keasar-server_TS2 costs 507.364 real_cost = 309.090 keasar-server_TS1-scwrl costs 394.105 real_cost = 2.524 keasar-server_TS1 costs 399.687 real_cost = 2.042 karypis.srv_TS5-scwrl costs 496.289 real_cost = 16.911 karypis.srv_TS5 costs 486.288 real_cost = 14.911 karypis.srv_TS4-scwrl costs 547.681 real_cost = 141.383 karypis.srv_TS4 costs 544.256 real_cost = 139.783 karypis.srv_TS3-scwrl costs 556.432 real_cost = 154.973 karypis.srv_TS3 costs 550.510 real_cost = 153.173 karypis.srv_TS2-scwrl costs 524.837 real_cost = 155.617 karypis.srv_TS2 costs 516.619 real_cost = 149.910 karypis.srv_TS1-scwrl costs 524.771 real_cost = 128.729 karypis.srv_TS1 costs 523.468 real_cost = 127.129 karypis.srv.2_TS5-scwrl costs 432.400 real_cost = 174.322 karypis.srv.2_TS5 costs 432.400 real_cost = 174.322 karypis.srv.2_TS4-scwrl costs 440.673 real_cost = 154.936 karypis.srv.2_TS4 costs 440.673 real_cost = 154.936 karypis.srv.2_TS3-scwrl costs 450.791 real_cost = 123.070 karypis.srv.2_TS3 costs 450.791 real_cost = 123.070 karypis.srv.2_TS2-scwrl costs 441.516 real_cost = 159.425 karypis.srv.2_TS2 costs 441.516 real_cost = 159.425 karypis.srv.2_TS1-scwrl costs 421.025 real_cost = 114.534 karypis.srv.2_TS1 costs 419.707 real_cost = 111.996 forecast-s_AL5-scwrl costs 616.363 real_cost = 185.948 forecast-s_AL5 costs 179855.298 real_cost = 193.922 forecast-s_AL4-scwrl costs 580.356 real_cost = 180.934 forecast-s_AL4 costs 349710.292 real_cost = 245.454 forecast-s_AL3-scwrl costs 637.922 real_cost = 78.848 forecast-s_AL3 costs 25331.656 real_cost = 96.411 forecast-s_AL2-scwrl costs 641.238 real_cost = 177.599 forecast-s_AL2 costs 233854.135 real_cost = 227.256 forecast-s_AL1-scwrl costs 659.732 real_cost = 353.001 forecast-s_AL1 costs 12439.218 real_cost = 382.991 beautshotbase_TS1-scwrl costs 559.166 real_cost = 98.240 beautshotbase_TS1 costs 550.842 real_cost = 97.033 beautshot_TS1-scwrl costs 517.870 real_cost = 80.747 beautshot_TS1 costs 518.702 real_cost = 86.728 Zhang-Server_TS5-scwrl costs 431.150 real_cost = -48.099 Zhang-Server_TS5 costs 431.150 real_cost = -48.099 Zhang-Server_TS4-scwrl costs 376.433 real_cost = -120.052 Zhang-Server_TS4 costs 376.433 real_cost = -120.052 Zhang-Server_TS3-scwrl costs 389.245 real_cost = -134.064 Zhang-Server_TS3 costs 389.245 real_cost = -134.064 Zhang-Server_TS2-scwrl costs 365.834 real_cost = -128.904 Zhang-Server_TS2 costs 365.834 real_cost = -128.904 Zhang-Server_TS1-scwrl costs 347.127 real_cost = -192.342 Zhang-Server_TS1 costs 347.127 real_cost = -192.342 UNI-EID_sfst_AL4-scwrl costs 595.254 real_cost = 73.614 UNI-EID_sfst_AL4 costs 18301.006 real_cost = 132.749 UNI-EID_sfst_AL3-scwrl costs 627.400 real_cost = 104.491 UNI-EID_sfst_AL3 costs 66441.806 real_cost = 146.794 UNI-EID_sfst_AL2-scwrl costs 702.474 real_cost = 130.562 UNI-EID_sfst_AL2 costs 94879.795 real_cost = 159.270 UNI-EID_sfst_AL1-scwrl costs 680.379 real_cost = 53.601 UNI-EID_sfst_AL1 costs 161807.020 real_cost = 64.697 UNI-EID_expm_TS1-scwrl costs 690.526 real_cost = 59.262 UNI-EID_expm_TS1 costs 11628.395 real_cost = 65.777 UNI-EID_bnmx_TS5-scwrl costs 685.524 real_cost = 165.186 UNI-EID_bnmx_TS5 costs 7564.968 real_cost = 214.692 UNI-EID_bnmx_TS4-scwrl costs 557.850 real_cost = 105.329 UNI-EID_bnmx_TS4 costs 102718.988 real_cost = 147.670 UNI-EID_bnmx_TS3-scwrl costs 699.802 real_cost = 195.192 UNI-EID_bnmx_TS3 costs 13432.761 real_cost = 227.836 UNI-EID_bnmx_TS2-scwrl costs 536.258 real_cost = 100.008 UNI-EID_bnmx_TS2 costs 108282.655 real_cost = 142.965 UNI-EID_bnmx_TS1-scwrl costs 623.673 real_cost = 91.974 UNI-EID_bnmx_TS1 costs 9907.888 real_cost = 118.340 SPARKS2_TS5-scwrl costs 406.630 real_cost = 125.925 SPARKS2_TS5 costs 407.655 real_cost = 126.217 SPARKS2_TS4-scwrl costs 412.652 real_cost = 4.526 SPARKS2_TS4 costs 420.968 real_cost = 5.159 SPARKS2_TS3-scwrl costs 382.922 real_cost = -171.750 SPARKS2_TS3 costs 395.295 real_cost = -180.885 SPARKS2_TS2-scwrl costs 410.713 real_cost = -23.336 SPARKS2_TS2 costs 421.963 real_cost = -23.884 SPARKS2_TS1-scwrl costs 391.226 real_cost = 102.244 SPARKS2_TS1 costs 404.083 real_cost = 95.948 SP4_TS5-scwrl costs 424.992 real_cost = 117.355 SP4_TS5 costs 430.405 real_cost = 125.912 SP4_TS4-scwrl costs 384.940 real_cost = -171.855 SP4_TS4 costs 396.294 real_cost = -164.164 SP4_TS3-scwrl costs 407.296 real_cost = -19.964 SP4_TS3 costs 420.056 real_cost = -23.408 SP4_TS2-scwrl costs 401.553 real_cost = 131.224 SP4_TS2 costs 404.842 real_cost = 127.676 SP4_TS1-scwrl costs 393.632 real_cost = -55.254 SP4_TS1 costs 401.876 real_cost = -55.505 SP3_TS5-scwrl costs 436.492 real_cost = 22.103 SP3_TS5 costs 441.513 real_cost = 35.544 SP3_TS4-scwrl costs 377.686 real_cost = -1.274 SP3_TS4 costs 388.235 real_cost = 0.310 SP3_TS3-scwrl costs 409.194 real_cost = 60.768 SP3_TS3 costs 419.443 real_cost = 73.253 SP3_TS2-scwrl costs 401.592 real_cost = -20.453 SP3_TS2 costs 412.458 real_cost = -14.733 SP3_TS1-scwrl costs 393.632 real_cost = -55.254 SP3_TS1 costs 401.876 real_cost = -55.505 SAM_T06_server_TS5-scwrl costs 637.875 real_cost = 50.571 SAM_T06_server_TS5 costs 617.074 real_cost = 45.044 SAM_T06_server_TS4-scwrl costs 762.595 real_cost = 161.708 SAM_T06_server_TS4 costs 716.896 real_cost = 126.405 SAM_T06_server_TS3-scwrl costs 666.586 real_cost = 317.905 SAM_T06_server_TS3 costs 618.286 real_cost = 294.101 SAM_T06_server_TS2-scwrl costs 567.563 real_cost = 108.902 SAM_T06_server_TS2 costs 519.101 real_cost = 111.000 SAM_T06_server_TS1-scwrl costs 333.416 real_cost = -91.585 SAM_T06_server_TS1 costs 326.935 real_cost = -92.665 SAM-T02_AL5-scwrl costs 745.946 real_cost = 349.973 SAM-T02_AL5 costs 12259.254 real_cost = 377.607 SAM-T02_AL4-scwrl costs 843.141 real_cost = 229.202 SAM-T02_AL4 costs 7879.017 real_cost = 216.598 SAM-T02_AL3-scwrl costs 682.031 real_cost = 163.243 SAM-T02_AL3 costs 27006.961 real_cost = 183.869 SAM-T02_AL2-scwrl costs 696.656 real_cost = 203.697 SAM-T02_AL2 costs 14876.573 real_cost = 231.226 SAM-T02_AL1-scwrl costs 472.974 real_cost = 32.981 SAM-T02_AL1 costs 3953.882 real_cost = 96.876 ROKKY_TS5-scwrl costs 362.578 real_cost = -186.007 ROKKY_TS5 costs 10814.389 real_cost = -133.373 ROKKY_TS4-scwrl costs 341.853 real_cost = -168.896 ROKKY_TS4 costs 15526.540 real_cost = -111.640 ROKKY_TS3-scwrl costs 343.552 real_cost = -208.595 ROKKY_TS3 costs 14098.215 real_cost = -146.743 ROKKY_TS2-scwrl costs 337.464 real_cost = -151.776 ROKKY_TS2 costs 12359.635 real_cost = -94.029 ROKKY_TS1-scwrl costs 345.229 real_cost = -149.388 ROKKY_TS1 costs 12871.648 real_cost = -83.854 ROBETTA_TS5-scwrl costs 352.960 real_cost = -180.802 ROBETTA_TS5 costs 352.776 real_cost = -176.359 ROBETTA_TS4-scwrl costs 350.762 real_cost = -114.250 ROBETTA_TS4 costs 346.831 real_cost = -111.109 ROBETTA_TS3-scwrl costs 354.127 real_cost = -127.133 ROBETTA_TS3 costs 349.753 real_cost = -115.043 ROBETTA_TS2-scwrl costs 337.532 real_cost = -93.978 ROBETTA_TS2 costs 335.512 real_cost = -84.714 ROBETTA_TS1-scwrl costs 333.320 real_cost = -104.300 ROBETTA_TS1 costs 330.432 real_cost = -107.916 RAPTOR_TS5-scwrl costs 435.524 real_cost = 58.795 RAPTOR_TS5 costs 448.037 real_cost = 74.360 RAPTOR_TS4-scwrl costs 407.290 real_cost = 79.127 RAPTOR_TS4 costs 421.353 real_cost = 80.190 RAPTOR_TS3-scwrl costs 422.944 real_cost = -5.207 RAPTOR_TS3 costs 429.091 real_cost = 2.719 RAPTOR_TS2-scwrl costs 426.067 real_cost = 36.514 RAPTOR_TS2 costs 432.693 real_cost = 40.284 RAPTOR_TS1-scwrl costs 438.317 real_cost = 5.320 RAPTOR_TS1 costs 440.337 real_cost = 9.137 RAPTORESS_TS5-scwrl costs 436.350 real_cost = 32.496 RAPTORESS_TS5 costs 440.474 real_cost = 33.048 RAPTORESS_TS4-scwrl costs 421.309 real_cost = 44.759 RAPTORESS_TS4 costs 426.536 real_cost = 52.352 RAPTORESS_TS3-scwrl costs 429.578 real_cost = 84.562 RAPTORESS_TS3 costs 442.714 real_cost = 84.753 RAPTORESS_TS2-scwrl costs 406.524 real_cost = 107.509 RAPTORESS_TS2 costs 417.902 real_cost = 103.455 RAPTORESS_TS1-scwrl costs 418.311 real_cost = 37.378 RAPTORESS_TS1 costs 423.984 real_cost = 43.146 RAPTOR-ACE_TS5-scwrl costs 425.918 real_cost = -1.115 RAPTOR-ACE_TS5 costs 440.395 real_cost = 6.171 RAPTOR-ACE_TS4-scwrl costs 410.699 real_cost = -13.426 RAPTOR-ACE_TS4 costs 418.109 real_cost = -5.747 RAPTOR-ACE_TS3-scwrl costs 393.632 real_cost = -55.254 RAPTOR-ACE_TS3 costs 401.876 real_cost = -55.505 RAPTOR-ACE_TS2-scwrl costs 400.405 real_cost = -13.705 RAPTOR-ACE_TS2 costs 410.039 real_cost = -23.889 RAPTOR-ACE_TS1-scwrl costs 423.776 real_cost = 59.352 RAPTOR-ACE_TS1 costs 429.533 real_cost = 46.598 Pmodeller6_TS5-scwrl costs 400.349 real_cost = 63.985 Pmodeller6_TS5 costs 400.349 real_cost = 63.985 Pmodeller6_TS4-scwrl costs 399.528 real_cost = 39.772 Pmodeller6_TS4 costs 399.407 real_cost = 41.032 Pmodeller6_TS3-scwrl costs 329.429 real_cost = -115.685 Pmodeller6_TS3 costs 324.546 real_cost = -116.373 Pmodeller6_TS2-scwrl costs 354.127 real_cost = -127.133 Pmodeller6_TS2 costs 349.753 real_cost = -115.043 Pmodeller6_TS1-scwrl costs 479.843 real_cost = -26.184 Pmodeller6_TS1 costs 471.685 real_cost = -19.544 Phyre-2_TS5-scwrl costs 372.202 real_cost = -180.897 Phyre-2_TS5 costs 392.319 real_cost = -183.246 Phyre-2_TS4-scwrl costs 358.105 real_cost = -90.900 Phyre-2_TS4 costs 371.579 real_cost = -89.094 Phyre-2_TS3-scwrl costs 348.433 real_cost = -108.007 Phyre-2_TS3 costs 364.496 real_cost = -101.363 Phyre-2_TS2-scwrl costs 385.489 real_cost = -124.350 Phyre-2_TS2 costs 396.576 real_cost = -123.562 Phyre-2_TS1-scwrl costs 355.388 real_cost = -97.226 Phyre-2_TS1 costs 378.764 real_cost = -104.087 Phyre-1_TS1-scwrl costs 745.535 real_cost = 144.392 Phyre-1_TS1 costs 730.785 real_cost = 123.429 Pcons6_TS5-scwrl costs 354.127 real_cost = -127.133 Pcons6_TS5 costs 349.753 real_cost = -115.043 Pcons6_TS4-scwrl costs 410.862 real_cost = 28.589 Pcons6_TS4 costs 410.862 real_cost = 28.589 Pcons6_TS3-scwrl costs 333.320 real_cost = -104.300 Pcons6_TS3 costs 330.432 real_cost = -107.916 Pcons6_TS2-scwrl costs 415.332 real_cost = -73.270 Pcons6_TS2 costs 404.034 real_cost = -74.419 Pcons6_TS1-scwrl costs 352.960 real_cost = -180.802 Pcons6_TS1 costs 352.776 real_cost = -176.359 PROTINFO_TS5-scwrl costs 419.383 real_cost = 45.484 PROTINFO_TS5 costs 417.854 real_cost = 54.835 PROTINFO_TS4-scwrl costs 450.720 real_cost = -57.514 PROTINFO_TS4 costs 456.318 real_cost = -41.449 PROTINFO_TS3-scwrl costs 394.552 real_cost = 4.098 PROTINFO_TS3 costs 400.757 real_cost = 6.538 PROTINFO_TS2-scwrl costs 356.642 real_cost = -79.421 PROTINFO_TS2 costs 359.864 real_cost = -72.880 PROTINFO_TS1-scwrl costs 373.904 real_cost = -39.023 PROTINFO_TS1 costs 374.450 real_cost = -40.117 PROTINFO-AB_TS5-scwrl costs 477.931 real_cost = -50.381 PROTINFO-AB_TS5 costs 519.054 real_cost = -22.048 PROTINFO-AB_TS4-scwrl costs 423.086 real_cost = -89.932 PROTINFO-AB_TS4 costs 421.258 real_cost = -97.357 PROTINFO-AB_TS3-scwrl costs 356.642 real_cost = -79.421 PROTINFO-AB_TS3 costs 359.864 real_cost = -72.880 PROTINFO-AB_TS2-scwrl costs 343.885 real_cost = -98.533 PROTINFO-AB_TS2 costs 355.062 real_cost = -87.086 PROTINFO-AB_TS1-scwrl costs 343.647 real_cost = -115.604 PROTINFO-AB_TS1 costs 356.415 real_cost = -104.135 POMYSL_TS5-scwrl costs 543.090 real_cost = 123.320 POMYSL_TS5 costs 558.347 real_cost = 154.344 POMYSL_TS4-scwrl costs 521.445 real_cost = 223.904 POMYSL_TS4 costs 534.468 real_cost = 223.110 POMYSL_TS3-scwrl costs 597.420 real_cost = 104.592 POMYSL_TS3 costs 591.023 real_cost = 97.202 POMYSL_TS2-scwrl costs 504.711 real_cost = 35.485 POMYSL_TS2 costs 510.404 real_cost = 78.982 POMYSL_TS1-scwrl costs 527.215 real_cost = 164.967 POMYSL_TS1 costs 538.354 real_cost = 154.546 NN_PUT_lab_TS1-scwrl costs 480.503 real_cost = 139.319 NN_PUT_lab_TS1 costs 4273.745 real_cost = 173.772 MetaTasser_TS5-scwrl costs 446.684 real_cost = -35.813 MetaTasser_TS5 costs 458.872 real_cost = -32.370 MetaTasser_TS4-scwrl costs 490.690 real_cost = 7.216 MetaTasser_TS4 costs 518.502 real_cost = 7.711 MetaTasser_TS3-scwrl costs 474.249 real_cost = -6.524 MetaTasser_TS3 costs 499.417 real_cost = -6.671 MetaTasser_TS2-scwrl costs 465.909 real_cost = 7.941 MetaTasser_TS2 costs 495.687 real_cost = 30.113 MetaTasser_TS1-scwrl costs 459.818 real_cost = -32.208 MetaTasser_TS1 costs 495.974 real_cost = -37.106 Ma-OPUS-server_TS5-scwrl costs 449.263 real_cost = 102.029 Ma-OPUS-server_TS5 costs 457.822 real_cost = 101.238 Ma-OPUS-server_TS4-scwrl costs 427.237 real_cost = 55.939 Ma-OPUS-server_TS4 costs 441.911 real_cost = 59.426 Ma-OPUS-server_TS3-scwrl costs 389.180 real_cost = 54.725 Ma-OPUS-server_TS3 costs 403.063 real_cost = 46.954 Ma-OPUS-server_TS2-scwrl costs 418.293 real_cost = 77.716 Ma-OPUS-server_TS2 costs 428.664 real_cost = 82.432 Ma-OPUS-server_TS1-scwrl costs 417.227 real_cost = 33.020 Ma-OPUS-server_TS1 costs 427.198 real_cost = 33.742 Ma-OPUS-server2_TS5-scwrl costs 433.685 real_cost = 117.808 Ma-OPUS-server2_TS5 costs 446.937 real_cost = 111.527 Ma-OPUS-server2_TS4-scwrl costs 503.441 real_cost = 95.275 Ma-OPUS-server2_TS4 costs 507.313 real_cost = 94.960 Ma-OPUS-server2_TS3-scwrl costs 415.464 real_cost = 141.101 Ma-OPUS-server2_TS3 costs 428.355 real_cost = 147.077 Ma-OPUS-server2_TS2-scwrl costs 406.232 real_cost = 80.109 Ma-OPUS-server2_TS2 costs 419.750 real_cost = 78.852 Ma-OPUS-server2_TS1-scwrl costs 398.855 real_cost = 88.744 Ma-OPUS-server2_TS1 costs 410.858 real_cost = 82.200 LOOPP_TS5-scwrl costs 526.428 real_cost = -30.012 LOOPP_TS5 costs 512.991 real_cost = -38.007 LOOPP_TS4-scwrl costs 514.999 real_cost = 80.042 LOOPP_TS4 costs 508.326 real_cost = 82.617 LOOPP_TS3-scwrl costs 556.736 real_cost = 76.491 LOOPP_TS3 costs 550.300 real_cost = 71.892 LOOPP_TS2-scwrl costs 453.041 real_cost = 102.368 LOOPP_TS2 costs 453.625 real_cost = 110.275 LOOPP_TS1-scwrl costs 444.188 real_cost = 34.079 LOOPP_TS1 costs 444.313 real_cost = 31.630 Huber-Torda-Server_TS5-scwrl costs 902.403 real_cost = 809.266 Huber-Torda-Server_TS5 costs 1624.404 real_cost = 812.266 Huber-Torda-Server_TS4-scwrl costs 908.545 real_cost = 809.266 Huber-Torda-Server_TS4 costs 2042.518 real_cost = 812.266 Huber-Torda-Server_TS3-scwrl costs 899.660 real_cost = 809.266 Huber-Torda-Server_TS3 costs 1045.293 real_cost = 812.266 Huber-Torda-Server_TS2-scwrl costs 900.508 real_cost = 809.266 Huber-Torda-Server_TS2 costs 1416.931 real_cost = 812.266 Huber-Torda-Server_TS1-scwrl costs 932.835 real_cost = 809.266 Huber-Torda-Server_TS1 costs 7196.887 real_cost = 812.266 HHpred3_TS1-scwrl costs 532.767 real_cost = -129.835 HHpred3_TS1 costs 543.142 real_cost = -121.870 HHpred2_TS1-scwrl costs 532.767 real_cost = -129.835 HHpred2_TS1 costs 543.142 real_cost = -121.870 HHpred1_TS1-scwrl costs 532.767 real_cost = -129.835 HHpred1_TS1 costs 543.142 real_cost = -121.870 GeneSilicoMetaServer_TS5-scwrl costs 393.673 real_cost = 4.806 GeneSilicoMetaServer_TS5 costs 407.187 real_cost = 4.768 GeneSilicoMetaServer_TS4-scwrl costs 396.254 real_cost = 44.389 GeneSilicoMetaServer_TS4 costs 411.969 real_cost = 35.867 GeneSilicoMetaServer_TS3-scwrl costs 496.617 real_cost = 60.751 GeneSilicoMetaServer_TS3 costs 507.890 real_cost = 67.236 GeneSilicoMetaServer_TS2-scwrl costs 382.283 real_cost = -6.362 GeneSilicoMetaServer_TS2 costs 397.586 real_cost = -1.135 GeneSilicoMetaServer_TS1-scwrl costs 420.008 real_cost = 58.211 GeneSilicoMetaServer_TS1 costs 432.990 real_cost = 56.592 Frankenstein_TS4-scwrl costs 507.315 real_cost = 226.023 Frankenstein_TS4 costs 517.525 real_cost = 225.478 Frankenstein_TS3-scwrl costs 461.485 real_cost = 192.668 Frankenstein_TS3 costs 464.404 real_cost = 197.776 Frankenstein_TS2-scwrl costs 440.477 real_cost = 50.795 Frankenstein_TS2 costs 450.699 real_cost = 50.020 Frankenstein_TS1-scwrl costs 475.437 real_cost = 194.612 Frankenstein_TS1 costs 484.020 real_cost = 201.160 FUNCTION_TS5-scwrl costs 433.240 real_cost = 75.734 FUNCTION_TS5 costs 449.362 real_cost = 86.052 FUNCTION_TS4-scwrl costs 439.989 real_cost = 67.268 FUNCTION_TS4 costs 444.873 real_cost = 69.509 FUNCTION_TS3-scwrl costs 385.150 real_cost = -65.379 FUNCTION_TS3 costs 397.380 real_cost = -54.838 FUNCTION_TS2-scwrl costs 447.566 real_cost = 39.198 FUNCTION_TS2 costs 463.214 real_cost = 39.612 FUNCTION_TS1-scwrl costs 426.311 real_cost = 23.349 FUNCTION_TS1 costs 439.334 real_cost = 23.272 FUGUE_AL5-scwrl costs 481.603 real_cost = 138.502 FUGUE_AL5 costs 94546.937 real_cost = 193.892 FUGUE_AL4-scwrl costs 1060.983 real_cost = 408.422 FUGUE_AL4 costs 31015.933 real_cost = 408.422 FUGUE_AL3-scwrl costs 884.647 real_cost = 94.052 FUGUE_AL3 costs 47136.987 real_cost = 94.052 FUGUE_AL2-scwrl costs 971.516 real_cost = 346.733 FUGUE_AL2 costs 15052.066 real_cost = 346.733 FUGUE_AL1-scwrl costs 1020.653 real_cost = 380.863 FUGUE_AL1 costs 16131.860 real_cost = 380.863 FUGMOD_TS5-scwrl costs 400.795 real_cost = 115.006 FUGMOD_TS5 costs 416.501 real_cost = 111.777 FUGMOD_TS4-scwrl costs 481.034 real_cost = 274.896 FUGMOD_TS4 costs 493.515 real_cost = 274.609 FUGMOD_TS3-scwrl costs 415.484 real_cost = 67.823 FUGMOD_TS3 costs 426.073 real_cost = 67.278 FUGMOD_TS2-scwrl costs 479.969 real_cost = 283.541 FUGMOD_TS2 costs 488.022 real_cost = 283.851 FUGMOD_TS1-scwrl costs 494.897 real_cost = 312.570 FUGMOD_TS1 costs 507.011 real_cost = 312.414 FPSOLVER-SERVER_TS5-scwrl costs 525.611 real_cost = 208.972 FPSOLVER-SERVER_TS5 costs 522.389 real_cost = 221.781 FPSOLVER-SERVER_TS4-scwrl costs 466.621 real_cost = 174.993 FPSOLVER-SERVER_TS4 costs 464.261 real_cost = 176.253 FPSOLVER-SERVER_TS3-scwrl costs 489.377 real_cost = 238.082 FPSOLVER-SERVER_TS3 costs 491.212 real_cost = 247.639 FPSOLVER-SERVER_TS2-scwrl costs 482.537 real_cost = 152.899 FPSOLVER-SERVER_TS2 costs 484.642 real_cost = 165.015 FPSOLVER-SERVER_TS1-scwrl costs 497.095 real_cost = 111.817 FPSOLVER-SERVER_TS1 costs 495.396 real_cost = 143.949 FORTE2_AL5-scwrl costs 520.846 real_cost = 51.095 FORTE2_AL5 costs 10156.525 real_cost = 104.024 FORTE2_AL4-scwrl costs 485.027 real_cost = 177.445 FORTE2_AL4 costs 19042.096 real_cost = 206.426 FORTE2_AL3-scwrl costs 503.627 real_cost = 148.142 FORTE2_AL3 costs 202909.833 real_cost = 213.718 FORTE2_AL2-scwrl costs 526.309 real_cost = 105.529 FORTE2_AL2 costs 11839.081 real_cost = 174.141 FORTE2_AL1-scwrl costs 447.943 real_cost = -15.125 FORTE2_AL1 costs 25784.331 real_cost = 8.706 FORTE1_AL5-scwrl costs 520.846 real_cost = 51.095 FORTE1_AL5 costs 10156.525 real_cost = 104.024 FORTE1_AL4-scwrl costs 485.027 real_cost = 177.445 FORTE1_AL4 costs 19042.096 real_cost = 206.426 FORTE1_AL3-scwrl costs 503.627 real_cost = 148.142 FORTE1_AL3 costs 202909.833 real_cost = 213.718 FORTE1_AL2-scwrl costs 526.309 real_cost = 105.529 FORTE1_AL2 costs 11839.081 real_cost = 174.141 FORTE1_AL1-scwrl costs 447.943 real_cost = -15.125 FORTE1_AL1 costs 25784.331 real_cost = 8.706 FOLDpro_TS5-scwrl costs 533.709 real_cost = 155.652 FOLDpro_TS5 costs 545.686 real_cost = 143.981 FOLDpro_TS4-scwrl costs 443.679 real_cost = 75.053 FOLDpro_TS4 costs 456.712 real_cost = 77.691 FOLDpro_TS3-scwrl costs 451.626 real_cost = 198.611 FOLDpro_TS3 costs 462.356 real_cost = 206.664 FOLDpro_TS2-scwrl costs 455.733 real_cost = 105.358 FOLDpro_TS2 costs 467.955 real_cost = 113.585 FOLDpro_TS1-scwrl costs 402.275 real_cost = 51.686 FOLDpro_TS1 costs 414.182 real_cost = 40.667 FAMS_TS5-scwrl costs 481.917 real_cost = -66.893 FAMS_TS5 costs 476.444 real_cost = -45.868 FAMS_TS4-scwrl costs 481.360 real_cost = -26.675 FAMS_TS4 costs 520.516 real_cost = -1.850 FAMS_TS3-scwrl costs 504.590 real_cost = -49.194 FAMS_TS3 costs 527.655 real_cost = -21.908 FAMS_TS2-scwrl costs 497.709 real_cost = -25.286 FAMS_TS2 costs 512.927 real_cost = -18.714 FAMS_TS1-scwrl costs 476.964 real_cost = 69.746 FAMS_TS1 costs 489.825 real_cost = 83.845 FAMSD_TS5-scwrl costs 647.929 real_cost = 55.193 FAMSD_TS5 costs 640.136 real_cost = 61.962 FAMSD_TS4-scwrl costs 437.216 real_cost = 66.670 FAMSD_TS4 costs 445.055 real_cost = 65.867 FAMSD_TS3-scwrl costs 480.525 real_cost = 53.447 FAMSD_TS3 costs 492.397 real_cost = 59.180 FAMSD_TS2-scwrl costs 644.177 real_cost = 47.367 FAMSD_TS2 costs 636.918 real_cost = 49.006 FAMSD_TS1-scwrl costs 435.505 real_cost = 82.493 FAMSD_TS1 costs 446.774 real_cost = 85.499 Distill_TS5-scwrl costs 1926.372 real_cost = 142.328 Distill_TS4-scwrl costs 1925.138 real_cost = 142.031 Distill_TS3-scwrl costs 1929.524 real_cost = 139.378 Distill_TS2-scwrl costs 1925.873 real_cost = 148.742 Distill_TS1-scwrl costs 1919.856 real_cost = 133.296 CaspIta-FOX_TS5-scwrl costs 500.326 real_cost = 95.889 CaspIta-FOX_TS5 costs 506.653 real_cost = 95.927 CaspIta-FOX_TS4-scwrl costs 636.445 real_cost = 224.882 CaspIta-FOX_TS4 costs 610.700 real_cost = 210.822 CaspIta-FOX_TS3-scwrl costs 460.926 real_cost = 40.194 CaspIta-FOX_TS3 costs 463.174 real_cost = 52.345 CaspIta-FOX_TS2-scwrl costs 672.580 real_cost = 156.012 CaspIta-FOX_TS2 costs 670.917 real_cost = 154.417 CaspIta-FOX_TS1-scwrl costs 493.440 real_cost = 151.382 CaspIta-FOX_TS1 costs 495.072 real_cost = 151.371 CIRCLE_TS5-scwrl costs 442.571 real_cost = -39.174 CIRCLE_TS5 costs 436.591 real_cost = -30.566 CIRCLE_TS4-scwrl costs 406.645 real_cost = -45.855 CIRCLE_TS4 costs 417.849 real_cost = -44.765 CIRCLE_TS3-scwrl costs 405.505 real_cost = -2.314 CIRCLE_TS3 costs 416.024 real_cost = 2.440 CIRCLE_TS2-scwrl costs 407.257 real_cost = -2.642 CIRCLE_TS2 costs 417.229 real_cost = -3.026 CIRCLE_TS1-scwrl costs 395.317 real_cost = -170.557 CIRCLE_TS1 costs 408.936 real_cost = -166.990 Bilab-ENABLE_TS1-scwrl costs 484.219 real_cost = 282.714 Bilab-ENABLE_TS1 costs 484.219 real_cost = 282.714 BayesHH_TS1-scwrl costs 532.767 real_cost = -129.835 BayesHH_TS1 costs 543.142 real_cost = -121.870 ABIpro_TS5-scwrl costs 404.643 real_cost = -114.168 ABIpro_TS5 costs 405.139 real_cost = -114.851 ABIpro_TS4-scwrl costs 423.529 real_cost = -91.874 ABIpro_TS4 costs 423.529 real_cost = -91.874 ABIpro_TS3-scwrl costs 402.881 real_cost = -117.270 ABIpro_TS3 costs 404.458 real_cost = -116.467 ABIpro_TS2-scwrl costs 416.415 real_cost = -100.976 ABIpro_TS2 costs 414.254 real_cost = -101.066 ABIpro_TS1-scwrl costs 422.493 real_cost = -58.526 ABIpro_TS1 costs 422.493 real_cost = -58.526 3Dpro_TS5-scwrl costs 430.005 real_cost = -8.447 3Dpro_TS5 costs 441.324 real_cost = -14.190 3Dpro_TS4-scwrl costs 460.765 real_cost = 112.465 3Dpro_TS4 costs 473.211 real_cost = 107.231 3Dpro_TS3-scwrl costs 416.415 real_cost = -100.976 3Dpro_TS3 costs 414.254 real_cost = -101.066 3Dpro_TS2-scwrl costs 457.828 real_cost = 26.605 3Dpro_TS2 costs 470.971 real_cost = 40.351 3Dpro_TS1-scwrl costs 422.493 real_cost = -58.526 3Dpro_TS1 costs 422.493 real_cost = -58.526 3D-JIGSAW_TS2-scwrl costs 507.973 real_cost = 21.999 3D-JIGSAW_TS2 costs 506.944 real_cost = 30.795 3D-JIGSAW_TS1-scwrl costs 630.813 real_cost = 35.826 3D-JIGSAW_TS1 costs 598.703 real_cost = 43.282 3D-JIGSAW_RECOM_TS5-scwrl costs 549.041 real_cost = 40.425 3D-JIGSAW_RECOM_TS5 costs 544.105 real_cost = 45.897 3D-JIGSAW_RECOM_TS4-scwrl costs 575.766 real_cost = 25.778 3D-JIGSAW_RECOM_TS4 costs 555.863 real_cost = 36.881 3D-JIGSAW_RECOM_TS3-scwrl costs 558.106 real_cost = 49.136 3D-JIGSAW_RECOM_TS3 costs 548.649 real_cost = 46.739 3D-JIGSAW_RECOM_TS2-scwrl costs 564.385 real_cost = 55.701 3D-JIGSAW_RECOM_TS2 costs 541.503 real_cost = 51.561 3D-JIGSAW_RECOM_TS1-scwrl costs 564.323 real_cost = 55.505 3D-JIGSAW_RECOM_TS1 costs 544.416 real_cost = 57.463 3D-JIGSAW_POPULUS_TS5-scwrl costs 506.537 real_cost = 22.747 3D-JIGSAW_POPULUS_TS5 costs 498.760 real_cost = 20.947 3D-JIGSAW_POPULUS_TS4-scwrl costs 521.083 real_cost = 17.237 3D-JIGSAW_POPULUS_TS4 costs 512.706 real_cost = 15.437 3D-JIGSAW_POPULUS_TS3-scwrl costs 497.197 real_cost = 7.215 3D-JIGSAW_POPULUS_TS3 costs 488.771 real_cost = 5.415 3D-JIGSAW_POPULUS_TS2-scwrl costs 551.874 real_cost = 21.574 3D-JIGSAW_POPULUS_TS2 costs 542.287 real_cost = 19.774 3D-JIGSAW_POPULUS_TS1-scwrl costs 499.302 real_cost = 23.289 3D-JIGSAW_POPULUS_TS1 costs 491.702 real_cost = 21.489 extended-M1-H77-try7.pdb.gz costs 352.817 real_cost = -192.978 extended-M1-H77-try6.pdb.gz costs 323.381 real_cost = -181.283 extended-M1-H77-try2.pdb.gz costs 359.755 real_cost = -84.450 chimera-try8-opt2.pdb.gz costs 376.832 real_cost = -179.871 T0335.try9-opt2.repack-nonPC.pdb.gz costs 316.225 real_cost = -108.638 T0335.try9-opt2.pdb.gz costs 311.498 real_cost = -106.215 T0335.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 321.849 real_cost = -111.748 T0335.try9-opt2.gromacs0.pdb.gz costs 320.711 real_cost = -106.185 T0335.try9-opt1.pdb.gz costs 315.206 real_cost = -110.773 T0335.try9-opt1-scwrl.pdb.gz costs 318.033 real_cost = -108.665 T0335.try8-opt2.repack-nonPC.pdb.gz costs 328.264 real_cost = -95.270 T0335.try8-opt2.pdb.gz costs 323.724 real_cost = -92.661 T0335.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 337.288 real_cost = -103.086 T0335.try8-opt2.gromacs0.pdb.gz costs 335.426 real_cost = -97.333 T0335.try8-opt2-four-helix-bundle.pdb.gz costs 674.444 real_cost = -25.348 T0335.try8-opt1.pdb.gz costs 325.821 real_cost = -93.036 T0335.try8-opt1-scwrl.pdb.gz costs 332.718 real_cost = -92.327 T0335.try7-opt2.pdb.gz costs 311.800 real_cost = -177.091 T0335.try7-opt2.gromacs0.pdb.gz costs 325.611 real_cost = -174.292 T0335.try7-opt1.pdb.gz costs 311.013 real_cost = -175.743 T0335.try7-opt1-scwrl.pdb.gz costs 316.229 real_cost = -176.183 T0335.try6-opt2.pdb.gz costs 312.109 real_cost = -172.687 T0335.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 324.726 real_cost = -176.154 T0335.try6-opt2.gromacs0.pdb.gz costs 323.627 real_cost = -172.336 T0335.try6-opt1.pdb.gz costs 314.080 real_cost = -173.196 T0335.try6-opt1-scwrl.pdb.gz costs 318.663 real_cost = -171.211 T0335.try5-opt2.repack-nonPC.pdb.gz costs 328.508 real_cost = -169.273 T0335.try5-opt2.pdb.gz costs 303.436 real_cost = -180.832 T0335.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 318.343 real_cost = -181.685 T0335.try5-opt2.gromacs0.pdb.gz costs 315.128 real_cost = -179.799 T0335.try5-opt1.pdb.gz costs 304.117 real_cost = -179.989 T0335.try5-opt1-scwrl.pdb.gz costs 309.599 real_cost = -180.151 T0335.try4-opt2.repack-nonPC.pdb.gz costs 314.874 real_cost = -170.748 T0335.try4-opt2.pdb.gz costs 311.461 real_cost = -174.704 T0335.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 324.535 real_cost = -172.679 T0335.try4-opt2.gromacs0.pdb.gz costs 323.266 real_cost = -173.751 T0335.try4-opt1.pdb.gz costs 316.636 real_cost = -174.442 T0335.try4-opt1-scwrl.pdb.gz costs 319.844 real_cost = -174.721 T0335.try33-opt2.repack-nonPC.pdb.gz costs 350.742 real_cost = -55.642 T0335.try33-opt2.pdb.gz costs 343.088 real_cost = -48.549 T0335.try33-opt2.gromacs0.repack-nonPC.pdb.gz costs 367.291 real_cost = -64.325 T0335.try33-opt2.gromacs0.pdb.gz costs 364.287 real_cost = -53.454 T0335.try33-opt1.pdb.gz costs 342.413 real_cost = -45.797 T0335.try33-opt1-scwrl.pdb.gz costs 357.320 real_cost = -57.569 T0335.try32-opt2.repack-nonPC.pdb.gz costs 336.554 real_cost = -103.402 T0335.try32-opt2.pdb.gz costs 332.805 real_cost = -97.789 T0335.try32-opt2.gromacs0.repack-nonPC.pdb.gz costs 345.546 real_cost = -103.563 T0335.try32-opt2.gromacs0.pdb.gz costs 343.115 real_cost = -98.193 T0335.try32-opt1.pdb.gz costs 333.790 real_cost = -102.375 T0335.try32-opt1-scwrl.pdb.gz costs 339.254 real_cost = -101.685 T0335.try31-opt2.repack-nonPC.pdb.gz costs 309.770 real_cost = -180.619 T0335.try31-opt2.pdb.gz costs 303.630 real_cost = -177.272 T0335.try31-opt2.gromacs0.repack-nonPC.pdb.gz costs 319.782 real_cost = -180.367 T0335.try31-opt2.gromacs0.pdb.gz costs 315.852 real_cost = -176.064 T0335.try31-opt1.pdb.gz costs 304.902 real_cost = -181.424 T0335.try31-opt1-scwrl.pdb.gz costs 311.073 real_cost = -180.698 T0335.try30-opt2.repack-nonPC.pdb.gz costs 350.128 real_cost = -59.017 T0335.try30-opt2.pdb.gz costs 342.718 real_cost = -48.409 T0335.try30-opt2.gromacs0.repack-nonPC.pdb.gz costs 367.069 real_cost = -60.013 T0335.try30-opt2.gromacs0.pdb.gz costs 361.724 real_cost = -47.115 T0335.try30-opt1.pdb.gz costs 349.505 real_cost = -52.206 T0335.try30-opt1-scwrl.pdb.gz costs 354.899 real_cost = -61.248 T0335.try3-opt2.repack-nonPC.pdb.gz costs 320.498 real_cost = -173.258 T0335.try3-opt2.pdb.gz costs 314.798 real_cost = -172.942 T0335.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 326.815 real_cost = -171.321 T0335.try3-opt2.gromacs0.pdb.gz costs 324.245 real_cost = -173.419 T0335.try3-opt1.pdb.gz costs 321.230 real_cost = -177.029 T0335.try3-opt1-scwrl.pdb.gz costs 328.346 real_cost = -176.950 T0335.try29-opt2.repack-nonPC.pdb.gz costs 329.081 real_cost = -100.376 T0335.try29-opt2.pdb.gz costs 326.850 real_cost = -97.588 T0335.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 339.037 real_cost = -102.000 T0335.try29-opt2.gromacs0.pdb.gz costs 338.140 real_cost = -98.636 T0335.try29-opt1.pdb.gz costs 328.770 real_cost = -101.896 T0335.try29-opt1-scwrl.pdb.gz costs 331.369 real_cost = -101.184 T0335.try28-opt2.repack-nonPC.pdb.gz costs 320.368 real_cost = -175.026 T0335.try28-opt2.pdb.gz costs 313.530 real_cost = -170.503 T0335.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 325.319 real_cost = -175.885 T0335.try28-opt2.gromacs0.pdb.gz costs 323.181 real_cost = -174.582 T0335.try28-opt1.pdb.gz costs 312.328 real_cost = -175.389 T0335.try28-opt1-scwrl.pdb.gz costs 318.126 real_cost = -170.970 T0335.try27-opt2.repack-nonPC.pdb.gz costs 316.182 real_cost = -108.648 T0335.try27-opt2.pdb.gz costs 310.812 real_cost = -106.917 T0335.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 320.701 real_cost = -116.746 T0335.try27-opt2.gromacs0.pdb.gz costs 317.666 real_cost = -110.717 T0335.try27-opt1.pdb.gz costs 309.575 real_cost = -105.116 T0335.try27-opt1-scwrl.pdb.gz costs 318.062 real_cost = -107.880 T0335.try26-opt2.repack-nonPC.pdb.gz costs 340.826 real_cost = -34.094 T0335.try26-opt2.pdb.gz costs 337.832 real_cost = -41.085 T0335.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 352.230 real_cost = -43.005 T0335.try26-opt2.gromacs0.pdb.gz costs 350.397 real_cost = -44.934 T0335.try26-opt1.pdb.gz costs 345.156 real_cost = -37.278 T0335.try26-opt1-scwrl.pdb.gz costs 346.862 real_cost = -37.156 T0335.try25-opt2.repack-nonPC.pdb.gz costs 314.684 real_cost = -105.798 T0335.try25-opt2.pdb.gz costs 309.768 real_cost = -105.158 T0335.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 320.981 real_cost = -100.945 T0335.try25-opt2.gromacs0.pdb.gz costs 317.168 real_cost = -100.287 T0335.try25-opt1.pdb.gz costs 311.378 real_cost = -105.613 T0335.try25-opt1-scwrl.pdb.gz costs 318.191 real_cost = -107.270 T0335.try24-opt2.repack-nonPC.pdb.gz costs 341.833 real_cost = -90.813 T0335.try24-opt2.pdb.gz costs 336.907 real_cost = -72.921 T0335.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 354.706 real_cost = -82.653 T0335.try24-opt2.gromacs0.pdb.gz costs 350.150 real_cost = -69.327 T0335.try24-opt2-rotated-helix.pdb.gz costs 490.220 real_cost = -71.748 T0335.try24-opt1.pdb.gz costs 342.603 real_cost = -77.283 T0335.try24-opt1-scwrl.pdb.gz costs 345.489 real_cost = -82.660 T0335.try23-opt2.repack-nonPC.pdb.gz costs 316.521 real_cost = -176.013 T0335.try23-opt2.pdb.gz costs 311.121 real_cost = -178.697 T0335.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 318.462 real_cost = -176.510 T0335.try23-opt2.gromacs0.pdb.gz costs 316.337 real_cost = -175.537 T0335.try23-opt1.pdb.gz costs 315.888 real_cost = -178.476 T0335.try23-opt1-scwrl.pdb.gz costs 319.592 real_cost = -182.879 T0335.try22-opt2.repack-nonPC.pdb.gz costs 309.987 real_cost = -180.662 T0335.try22-opt2.pdb.gz costs 303.746 real_cost = -178.542 T0335.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 317.884 real_cost = -175.353 T0335.try22-opt2.gromacs0.pdb.gz costs 317.536 real_cost = -175.053 T0335.try22-opt1.pdb.gz costs 304.627 real_cost = -178.744 T0335.try22-opt1-scwrl.pdb.gz costs 309.930 real_cost = -178.677 T0335.try21-opt2.repack-nonPC.pdb.gz costs 307.814 real_cost = -180.357 T0335.try21-opt2.pdb.gz costs 302.733 real_cost = -180.513 T0335.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 318.368 real_cost = -175.124 T0335.try21-opt2.gromacs0.pdb.gz costs 315.984 real_cost = -176.701 T0335.try21-opt1.pdb.gz costs 304.287 real_cost = -181.709 T0335.try21-opt1-scwrl.pdb.gz costs 309.373 real_cost = -180.036 T0335.try20-opt2.repack-nonPC.pdb.gz costs 310.277 real_cost = -182.578 T0335.try20-opt2.pdb.gz costs 305.143 real_cost = -181.861 T0335.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 320.093 real_cost = -178.757 T0335.try20-opt2.gromacs0.pdb.gz costs 317.309 real_cost = -179.569 T0335.try20-opt1.pdb.gz costs 308.462 real_cost = -181.325 T0335.try20-opt1-scwrl.pdb.gz costs 313.460 real_cost = -179.232 T0335.try2-opt2.repack-nonPC.pdb.gz costs 309.267 real_cost = -179.024 T0335.try2-opt2.pdb.gz costs 304.830 real_cost = -177.682 T0335.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 320.876 real_cost = -178.848 T0335.try2-opt2.gromacs0.pdb.gz costs 318.160 real_cost = -177.242 T0335.try2-opt1.pdb.gz costs 307.539 real_cost = -179.317 T0335.try2-opt1-scwrl.pdb.gz costs 311.371 real_cost = -181.412 T0335.try19-opt2.repack-nonPC.pdb.gz costs 314.595 real_cost = -176.834 T0335.try19-opt2.pdb.gz costs 309.326 real_cost = -180.743 T0335.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 325.885 real_cost = -174.460 T0335.try19-opt2.gromacs0.pdb.gz costs 321.517 real_cost = -182.141 T0335.try19-opt1.pdb.gz costs 312.423 real_cost = -180.363 T0335.try19-opt1-scwrl.pdb.gz costs 317.800 real_cost = -179.399 T0335.try18-opt2.repack-nonPC.pdb.gz costs 320.482 real_cost = -184.912 T0335.try18-opt2.pdb.gz costs 316.277 real_cost = -182.572 T0335.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 325.598 real_cost = -184.540 T0335.try18-opt2.gromacs0.pdb.gz costs 323.587 real_cost = -186.977 T0335.try18-opt1.pdb.gz costs 321.250 real_cost = -184.343 T0335.try18-opt1-scwrl.pdb.gz costs 322.244 real_cost = -182.732 T0335.try17-opt2.repack-nonPC.pdb.gz costs 322.900 real_cost = -136.911 T0335.try17-opt2.pdb.gz costs 317.183 real_cost = -140.726 T0335.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 325.490 real_cost = -161.733 T0335.try17-opt2.gromacs0.pdb.gz costs 322.703 real_cost = -160.213 T0335.try17-opt1.pdb.gz costs 323.176 real_cost = -160.347 T0335.try17-opt1-scwrl.pdb.gz costs 325.736 real_cost = -158.575 T0335.try16-opt2.repack-nonPC.pdb.gz costs 317.274 real_cost = -151.950 T0335.try16-opt2.pdb.gz costs 313.511 real_cost = -147.982 T0335.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 327.191 real_cost = -154.696 T0335.try16-opt2.gromacs0.pdb.gz costs 322.887 real_cost = -151.604 T0335.try16-opt1.pdb.gz costs 322.829 real_cost = -149.621 T0335.try16-opt1-scwrl.pdb.gz costs 323.229 real_cost = -151.029 T0335.try14-opt2.repack-nonPC.pdb.gz costs 327.750 real_cost = -87.929 T0335.try14-opt2.pdb.gz costs 323.235 real_cost = -84.636 T0335.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 336.441 real_cost = -100.088 T0335.try14-opt2.gromacs0.pdb.gz costs 333.805 real_cost = -95.989 T0335.try14-opt1.pdb.gz costs 325.180 real_cost = -84.674 T0335.try14-opt1-scwrl.pdb.gz costs 330.698 real_cost = -82.490 T0335.try13-opt2.repack-nonPC.pdb.gz costs 318.892 real_cost = -182.601 T0335.try13-opt2.pdb.gz costs 314.284 real_cost = -180.205 T0335.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 325.522 real_cost = -179.687 T0335.try13-opt2.gromacs0.pdb.gz costs 322.293 real_cost = -172.341 T0335.try13-opt1.pdb.gz costs 315.245 real_cost = -181.146 T0335.try13-opt1-scwrl.pdb.gz costs 320.012 real_cost = -184.360 T0335.try12-opt2.repack-nonPC.pdb.gz costs 314.647 real_cost = -189.549 T0335.try12-opt2.pdb.gz costs 309.442 real_cost = -193.281 T0335.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 321.958 real_cost = -191.427 T0335.try12-opt2.gromacs0.pdb.gz costs 317.647 real_cost = -191.940 T0335.try12-opt1.pdb.gz costs 309.521 real_cost = -194.058 T0335.try12-opt1-scwrl.pdb.gz costs 313.370 real_cost = -192.233 T0335.try11-opt2.repack-nonPC.pdb.gz costs 316.804 real_cost = -141.687 T0335.try11-opt2.pdb.gz costs 310.950 real_cost = -141.132 T0335.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 324.285 real_cost = -144.023 T0335.try11-opt2.gromacs0.pdb.gz costs 320.875 real_cost = -140.878 T0335.try11-opt1.pdb.gz costs 316.187 real_cost = -143.972 T0335.try11-opt1-scwrl.pdb.gz costs 318.580 real_cost = -144.649 T0335.try10-opt2.repack-nonPC.pdb.gz costs 313.807 real_cost = -113.982 T0335.try10-opt2.pdb.gz costs 308.691 real_cost = -109.761 T0335.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 324.093 real_cost = -113.776 T0335.try10-opt2.gromacs0.pdb.gz costs 321.450 real_cost = -110.004 T0335.try10-opt1.pdb.gz costs 313.871 real_cost = -104.950 T0335.try10-opt1-scwrl.pdb.gz costs 317.699 real_cost = -106.848 T0335.try1-opt2.repack-nonPC.pdb.gz costs 309.814 real_cost = -186.186 T0335.try1-opt2.pdb.gz costs 306.705 real_cost = -187.066 T0335.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 318.428 real_cost = -185.093 T0335.try1-opt2.gromacs0.pdb.gz costs 317.936 real_cost = -183.924 T0335.try1-opt1.pdb.gz costs 311.546 real_cost = -185.793 T0335.try1-opt1-scwrl.pdb.gz costs 313.638 real_cost = -187.023 ../model5.ts-submitted costs 339.056 real_cost = -101.994 ../model4.ts-submitted costs 342.022 real_cost = -48.542 ../model3.ts-submitted costs 309.773 real_cost = -105.148 ../model2.ts-submitted costs 312.124 real_cost = -173.060 ../model1.ts-submitted costs 302.776 real_cost = -180.432 align5 costs 968.438 real_cost = 121.717 align4 costs 1067.681 real_cost = 160.970 align3 costs 1061.326 real_cost = 801.666 align2 costs 967.257 real_cost = 137.513 align1 costs 2276.488 real_cost = -25.014 T0335.try1-opt2.pdb costs 306.705 real_cost = -187.038 model5-scwrl costs 340.299 real_cost = -100.743 model5.ts-submitted costs 339.056 real_cost = -101.994 model4-scwrl costs 352.722 real_cost = -61.300 model4.ts-submitted costs 342.022 real_cost = -48.542 model3-scwrl costs 316.676 real_cost = -107.916 model3.ts-submitted costs 309.773 real_cost = -105.148 model2-scwrl costs 318.221 real_cost = -171.593 model2.ts-submitted costs 312.124 real_cost = -173.060 model1-scwrl costs 308.672 real_cost = -180.379 model1.ts-submitted costs 302.776 real_cost = -180.514 2hepA costs 654.487 real_cost = -823.200 # command:CPU_time= 72.965 sec, elapsed time= 705.476 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.predburial.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.predburial.rdb mv -f decoys/evaluate.predburial.pretty decoys/evaluate.predburial.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.predburial.rdb > decoys/evaluate.predburial.pretty make[1]: Leaving directory `/projects/compbio/experiments/protein-predict/casp7/T0335'