make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0348' 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/T0348.} ;\ 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/T0348/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hf1A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174450212 # 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= 6.17806 sec, elapsed time= 12.6776 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= 6.25705 sec, elapsed time= 12.8661 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0348 numbered 1 through 68 Created new target T0348 from T0348.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0348 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 T0348.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 T0348.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 T0348.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= 8.83766 sec, elapsed time= 18.491 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 38 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -58.1967 # GDT_score(maxd=8,maxw=2.9)= -58.1466 # GDT_score(maxd=8,maxw=3.2)= -56.8524 # GDT_score(maxd=8,maxw=3.5)= -55.3432 # GDT_score(maxd=10,maxw=3.8)= -57.1605 # GDT_score(maxd=10,maxw=4)= -56.1149 # GDT_score(maxd=10,maxw=4.2)= -55.0821 # GDT_score(maxd=12,maxw=4.3)= -57.3918 # GDT_score(maxd=12,maxw=4.5)= -56.3665 # GDT_score(maxd=12,maxw=4.7)= -55.2873 # GDT_score(maxd=14,maxw=5.2)= -54.7672 # GDT_score(maxd=14,maxw=5.5)= -53.0038 # 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 5.448 41.984 49.151 1.00 0.00 ATOM 2 CA MET A 1 5.001 42.688 50.385 1.00 0.00 ATOM 3 CB MET A 1 3.577 42.248 50.747 1.00 0.00 ATOM 4 CG MET A 1 2.988 42.937 51.969 1.00 0.00 ATOM 5 SD MET A 1 1.371 42.263 52.451 1.00 0.00 ATOM 6 CE MET A 1 0.328 42.972 51.221 1.00 0.00 ATOM 7 O MET A 1 6.347 41.206 51.700 1.00 0.00 ATOM 8 C MET A 1 5.962 42.361 51.521 1.00 0.00 ATOM 9 N ASP A 2 6.269 43.369 52.330 1.00 0.00 ATOM 10 CA ASP A 2 7.161 43.176 53.485 1.00 0.00 ATOM 11 CB ASP A 2 7.535 44.522 54.107 1.00 0.00 ATOM 12 CG ASP A 2 8.524 45.341 53.289 1.00 0.00 ATOM 13 OD1 ASP A 2 9.102 44.797 52.376 1.00 0.00 ATOM 14 OD2 ASP A 2 8.578 46.533 53.476 1.00 0.00 ATOM 15 O ASP A 2 7.226 41.354 55.024 1.00 0.00 ATOM 16 C ASP A 2 6.554 42.266 54.555 1.00 0.00 ATOM 17 N ALA A 3 5.253 42.422 54.782 1.00 0.00 ATOM 18 CA ALA A 3 4.553 41.555 55.720 1.00 0.00 ATOM 19 CB ALA A 3 3.130 42.044 55.911 1.00 0.00 ATOM 20 O ALA A 3 4.793 39.196 55.945 1.00 0.00 ATOM 21 C ALA A 3 4.537 40.130 55.199 1.00 0.00 ATOM 22 N LYS A 4 4.280 39.966 53.913 1.00 0.00 ATOM 23 CA LYS A 4 4.240 38.610 53.313 1.00 0.00 ATOM 24 CB LYS A 4 3.809 38.704 51.849 1.00 0.00 ATOM 25 CG LYS A 4 2.355 39.116 51.648 1.00 0.00 ATOM 26 CD LYS A 4 2.002 39.188 50.171 1.00 0.00 ATOM 27 CE LYS A 4 0.562 39.630 49.965 1.00 0.00 ATOM 28 NZ LYS A 4 0.208 39.734 48.524 1.00 0.00 ATOM 29 O LYS A 4 5.710 36.770 53.747 1.00 0.00 ATOM 30 C LYS A 4 5.609 37.946 53.411 1.00 0.00 ATOM 31 N PHE A 5 6.682 38.707 53.172 1.00 0.00 ATOM 32 CA PHE A 5 8.028 38.158 53.263 1.00 0.00 ATOM 33 CB PHE A 5 9.022 39.205 52.755 1.00 0.00 ATOM 34 CG PHE A 5 8.943 39.448 51.275 1.00 0.00 ATOM 35 CD1 PHE A 5 8.275 38.560 50.446 1.00 0.00 ATOM 36 CD2 PHE A 5 9.536 40.565 50.708 1.00 0.00 ATOM 37 CE1 PHE A 5 8.201 38.782 49.084 1.00 0.00 ATOM 38 CE2 PHE A 5 9.464 40.791 49.346 1.00 0.00 ATOM 39 CZ PHE A 5 8.797 39.897 48.535 1.00 0.00 ATOM 40 O PHE A 5 8.937 36.663 54.903 1.00 0.00 ATOM 41 C PHE A 5 8.388 37.741 54.690 1.00 0.00 ATOM 42 N LEU A 6 8.021 38.577 55.666 1.00 0.00 ATOM 43 CA LEU A 6 8.302 38.264 57.083 1.00 0.00 ATOM 44 CB LEU A 6 7.965 39.470 57.971 1.00 0.00 ATOM 45 CG LEU A 6 8.911 40.669 57.830 1.00 0.00 ATOM 46 CD1 LEU A 6 8.369 41.856 58.616 1.00 0.00 ATOM 47 CD2 LEU A 6 10.299 40.283 58.324 1.00 0.00 ATOM 48 O LEU A 6 8.080 36.145 58.184 1.00 0.00 ATOM 49 C LEU A 6 7.525 37.026 57.534 1.00 0.00 ATOM 50 N GLU A 7 6.257 36.954 57.127 1.00 0.00 ATOM 51 CA GLU A 7 5.410 35.789 57.456 1.00 0.00 ATOM 52 CB GLU A 7 3.968 36.033 57.007 1.00 0.00 ATOM 53 CG GLU A 7 2.997 34.921 57.377 1.00 0.00 ATOM 54 CD GLU A 7 1.665 35.113 56.704 1.00 0.00 ATOM 55 OE1 GLU A 7 1.512 36.078 55.997 1.00 0.00 ATOM 56 OE2 GLU A 7 0.839 34.238 56.811 1.00 0.00 ATOM 57 O GLU A 7 5.959 33.447 57.477 1.00 0.00 ATOM 58 C GLU A 7 5.948 34.499 56.835 1.00 0.00 ATOM 59 N ILE A 8 6.324 34.573 55.556 1.00 0.00 ATOM 60 CA ILE A 8 6.858 33.420 54.832 1.00 0.00 ATOM 61 CB ILE A 8 7.102 33.759 53.352 1.00 0.00 ATOM 62 CG1 ILE A 8 5.785 34.120 52.650 1.00 0.00 ATOM 63 CG2 ILE A 8 7.756 32.574 52.663 1.00 0.00 ATOM 64 CD1 ILE A 8 5.981 34.855 51.303 1.00 0.00 ATOM 65 O ILE A 8 8.312 31.702 55.699 1.00 0.00 ATOM 66 C ILE A 8 8.139 32.907 55.514 1.00 0.00 ATOM 67 N LEU A 9 9.004 33.846 55.896 1.00 0.00 ATOM 68 CA LEU A 9 10.248 33.511 56.610 1.00 0.00 ATOM 69 CB LEU A 9 11.067 34.815 56.794 1.00 0.00 ATOM 70 CG LEU A 9 11.539 35.430 55.468 1.00 0.00 ATOM 71 CD1 LEU A 9 12.375 36.681 55.747 1.00 0.00 ATOM 72 CD2 LEU A 9 12.354 34.395 54.682 1.00 0.00 ATOM 73 O LEU A 9 10.845 32.016 58.380 1.00 0.00 ATOM 74 C LEU A 9 10.067 32.879 57.982 1.00 0.00 ATOM 75 N VAL A 10 9.033 33.425 58.734 1.00 0.00 ATOM 76 CA VAL A 10 8.782 32.923 60.078 1.00 0.00 ATOM 77 CB VAL A 10 8.135 34.081 60.839 1.00 0.00 ATOM 78 CG1 VAL A 10 7.687 33.633 62.225 1.00 0.00 ATOM 79 CG2 VAL A 10 9.088 35.290 60.897 1.00 0.00 ATOM 80 O VAL A 10 6.734 31.839 59.445 1.00 0.00 ATOM 81 C VAL A 10 7.823 31.738 60.004 1.00 0.00 ATOM 82 N CYS A 11 8.260 30.566 60.497 1.00 0.00 ATOM 83 CA CYS A 11 7.421 29.378 60.470 1.00 0.00 ATOM 84 CB CYS A 11 8.041 28.329 61.379 1.00 0.00 ATOM 85 SG CYS A 11 6.961 26.876 61.445 1.00 0.00 ATOM 86 O CYS A 11 6.030 30.044 62.276 1.00 0.00 ATOM 87 C CYS A 11 6.061 29.693 61.100 1.00 0.00 ATOM 88 N PRO A 12 4.981 29.326 60.390 1.00 0.00 ATOM 89 CA PRO A 12 3.615 29.521 60.909 1.00 0.00 ATOM 90 CB PRO A 12 2.685 29.350 59.704 1.00 0.00 ATOM 91 CG PRO A 12 3.582 29.616 58.516 1.00 0.00 ATOM 92 CD PRO A 12 5.007 29.319 58.950 1.00 0.00 ATOM 93 O PRO A 12 2.656 29.321 63.093 1.00 0.00 ATOM 94 C PRO A 12 3.273 28.766 62.189 1.00 0.00 ATOM 95 N LEU A 13 3.794 27.547 62.335 1.00 0.00 ATOM 96 CA LEU A 13 3.537 26.738 63.525 1.00 0.00 ATOM 97 CB LEU A 13 3.846 25.297 63.213 1.00 0.00 ATOM 98 CG LEU A 13 3.635 24.297 64.344 1.00 0.00 ATOM 99 CD1 LEU A 13 2.200 24.310 64.829 1.00 0.00 ATOM 100 CD2 LEU A 13 4.053 22.911 63.877 1.00 0.00 ATOM 101 O LEU A 13 3.730 27.286 65.865 1.00 0.00 ATOM 102 C LEU A 13 4.265 27.280 64.740 1.00 0.00 ATOM 103 N CYS A 14 5.438 27.855 64.598 1.00 0.00 ATOM 104 CA CYS A 14 6.278 28.317 65.691 1.00 0.00 ATOM 105 CB CYS A 14 7.732 28.102 65.446 1.00 0.00 ATOM 106 SG CYS A 14 8.158 26.394 65.072 1.00 0.00 ATOM 107 O CYS A 14 6.011 30.317 67.125 1.00 0.00 ATOM 108 C CYS A 14 5.872 29.738 66.054 1.00 0.00 ATOM 109 N LYS A 15 6.583 30.393 64.919 1.00 0.00 ATOM 110 CA LYS A 15 7.422 31.556 64.658 1.00 0.00 ATOM 111 CB LYS A 15 6.375 32.650 65.665 1.00 0.00 ATOM 112 CG LYS A 15 7.231 32.768 66.924 1.00 0.00 ATOM 113 CD LYS A 15 6.371 33.312 68.069 1.00 0.00 ATOM 114 CE LYS A 15 6.890 34.657 68.535 1.00 0.00 ATOM 115 NZ LYS A 15 5.868 35.470 69.245 1.00 0.00 ATOM 116 O LYS A 15 9.707 32.368 64.635 1.00 0.00 ATOM 117 C LYS A 15 8.951 31.400 64.751 1.00 0.00 ATOM 118 N GLY A 16 9.405 30.161 64.563 1.00 0.00 ATOM 119 CA GLY A 16 10.844 29.872 64.361 1.00 0.00 ATOM 120 O GLY A 16 10.634 30.110 61.979 1.00 0.00 ATOM 121 C GLY A 16 11.300 30.388 63.000 1.00 0.00 ATOM 122 N PRO A 17 12.481 31.118 62.886 1.00 0.00 ATOM 123 CA PRO A 17 12.876 31.645 61.561 1.00 0.00 ATOM 124 CB PRO A 17 14.047 32.574 61.900 1.00 0.00 ATOM 125 CG PRO A 17 13.809 32.949 63.308 1.00 0.00 ATOM 126 CD PRO A 17 13.305 31.677 63.957 1.00 0.00 ATOM 127 O PRO A 17 13.966 29.604 60.901 1.00 0.00 ATOM 128 C PRO A 17 13.175 30.502 60.595 1.00 0.00 ATOM 129 N LEU A 18 12.554 30.539 59.423 1.00 0.00 ATOM 130 CA LEU A 18 12.731 29.515 58.404 1.00 0.00 ATOM 131 CB LEU A 18 11.517 29.478 57.479 1.00 0.00 ATOM 132 CG LEU A 18 10.138 29.283 58.107 1.00 0.00 ATOM 133 CD1 LEU A 18 9.065 29.240 57.022 1.00 0.00 ATOM 134 CD2 LEU A 18 10.139 27.990 58.924 1.00 0.00 ATOM 135 O LEU A 18 14.402 30.955 57.511 1.00 0.00 ATOM 136 C LEU A 18 14.002 29.806 57.630 1.00 0.00 ATOM 137 N VAL A 19 14.531 28.777 57.003 1.00 0.00 ATOM 138 CA VAL A 19 15.721 28.922 56.143 1.00 0.00 ATOM 139 CB VAL A 19 16.949 28.143 56.624 1.00 0.00 ATOM 140 CG1 VAL A 19 18.146 28.399 55.753 1.00 0.00 ATOM 141 CG2 VAL A 19 17.239 28.403 58.100 1.00 0.00 ATOM 142 O VAL A 19 14.825 27.486 54.425 1.00 0.00 ATOM 143 C VAL A 19 15.427 28.504 54.710 1.00 0.00 ATOM 144 N PHE A 20 15.886 29.402 53.822 1.00 0.00 ATOM 145 CA PHE A 20 15.720 29.234 52.363 1.00 0.00 ATOM 146 CB PHE A 20 15.948 30.577 51.638 1.00 0.00 ATOM 147 CG PHE A 20 15.578 30.573 50.186 1.00 0.00 ATOM 148 CD1 PHE A 20 14.254 30.398 49.792 1.00 0.00 ATOM 149 CD2 PHE A 20 16.554 30.738 49.207 1.00 0.00 ATOM 150 CE1 PHE A 20 13.907 30.392 48.439 1.00 0.00 ATOM 151 CE2 PHE A 20 16.218 30.731 47.852 1.00 0.00 ATOM 152 CZ PHE A 20 14.895 30.559 47.467 1.00 0.00 ATOM 153 O PHE A 20 17.853 28.232 51.931 1.00 0.00 ATOM 154 C PHE A 20 16.638 28.144 51.804 1.00 0.00 ATOM 155 N ASP A 21 16.046 27.077 51.136 1.00 0.00 ATOM 156 CA ASP A 21 16.820 25.987 50.539 1.00 0.00 ATOM 157 CB ASP A 21 16.144 24.682 50.822 1.00 0.00 ATOM 158 CG ASP A 21 17.002 23.455 50.506 1.00 0.00 ATOM 159 OD1 ASP A 21 17.633 23.394 49.447 1.00 0.00 ATOM 160 OD2 ASP A 21 17.046 22.548 51.332 1.00 0.00 ATOM 161 O ASP A 21 15.802 26.240 48.380 1.00 0.00 ATOM 162 C ASP A 21 16.846 26.266 49.032 1.00 0.00 ATOM 163 N LYS A 22 18.017 26.659 48.531 1.00 0.00 ATOM 164 CA LYS A 22 18.192 26.959 47.095 1.00 0.00 ATOM 165 CB LYS A 22 19.616 27.449 46.819 1.00 0.00 ATOM 166 CG LYS A 22 19.914 28.846 47.350 1.00 0.00 ATOM 167 CD LYS A 22 21.341 29.264 47.032 1.00 0.00 ATOM 168 CE LYS A 22 21.647 30.650 47.578 1.00 0.00 ATOM 169 NZ LYS A 22 23.052 31.059 47.307 1.00 0.00 ATOM 170 O LYS A 22 17.434 25.958 45.074 1.00 0.00 ATOM 171 C LYS A 22 17.914 25.768 46.179 1.00 0.00 ATOM 172 N SER A 23 18.304 24.570 46.619 1.00 0.00 ATOM 173 CA SER A 23 18.106 23.362 45.782 1.00 0.00 ATOM 174 CB SER A 23 18.803 22.148 46.474 1.00 0.00 ATOM 175 OG SER A 23 20.211 22.187 46.375 1.00 0.00 ATOM 176 O SER A 23 16.227 22.771 44.407 1.00 0.00 ATOM 177 C SER A 23 16.629 23.073 45.534 1.00 0.00 ATOM 178 N LYS A 24 15.804 23.198 46.533 1.00 0.00 ATOM 179 CA LYS A 24 14.376 22.929 46.440 1.00 0.00 ATOM 180 CB LYS A 24 13.918 22.074 47.648 1.00 0.00 ATOM 181 CG LYS A 24 14.786 20.839 47.889 1.00 0.00 ATOM 182 CD LYS A 24 14.842 19.967 46.660 1.00 0.00 ATOM 183 CE LYS A 24 15.624 18.668 46.828 1.00 0.00 ATOM 184 NZ LYS A 24 15.524 17.781 45.641 1.00 0.00 ATOM 185 O LYS A 24 12.273 23.971 46.062 1.00 0.00 ATOM 186 C LYS A 24 13.466 24.154 46.243 1.00 0.00 ATOM 187 N ASP A 25 14.021 25.360 46.365 1.00 0.00 ATOM 188 CA ASP A 25 13.249 26.628 46.325 1.00 0.00 ATOM 189 CB ASP A 25 12.702 26.848 44.913 1.00 0.00 ATOM 190 CG ASP A 25 13.771 27.071 43.852 1.00 0.00 ATOM 191 OD1 ASP A 25 14.619 27.905 44.058 1.00 0.00 ATOM 192 OD2 ASP A 25 13.824 26.304 42.920 1.00 0.00 ATOM 193 O ASP A 25 10.894 26.611 47.062 1.00 0.00 ATOM 194 C ASP A 25 12.097 26.574 47.355 1.00 0.00 ATOM 195 N GLU A 26 12.506 26.272 48.567 1.00 0.00 ATOM 196 CA GLU A 26 11.565 26.103 49.689 1.00 0.00 ATOM 197 CB GLU A 26 11.298 24.621 49.965 1.00 0.00 ATOM 198 CG GLU A 26 10.824 23.832 48.755 1.00 0.00 ATOM 199 CD GLU A 26 10.381 22.448 49.145 1.00 0.00 ATOM 200 OE1 GLU A 26 10.446 22.129 50.307 1.00 0.00 ATOM 201 OE2 GLU A 26 9.874 21.749 48.299 1.00 0.00 ATOM 202 O GLU A 26 13.291 27.239 50.957 1.00 0.00 ATOM 203 C GLU A 26 12.131 26.810 50.910 1.00 0.00 ATOM 204 N LEU A 27 11.242 27.018 51.869 1.00 0.00 ATOM 205 CA LEU A 27 11.632 27.533 53.181 1.00 0.00 ATOM 206 CB LEU A 27 10.809 28.765 53.528 1.00 0.00 ATOM 207 CG LEU A 27 11.270 29.985 52.753 1.00 0.00 ATOM 208 CD1 LEU A 27 10.364 31.119 53.162 1.00 0.00 ATOM 209 CD2 LEU A 27 12.641 30.382 53.245 1.00 0.00 ATOM 210 O LEU A 27 10.245 25.954 54.331 1.00 0.00 ATOM 211 C LEU A 27 11.368 26.441 54.211 1.00 0.00 ATOM 212 N ILE A 28 12.410 26.136 54.961 1.00 0.00 ATOM 213 CA ILE A 28 12.352 25.028 55.939 1.00 0.00 ATOM 214 CB ILE A 28 13.609 24.154 55.824 1.00 0.00 ATOM 215 CG1 ILE A 28 13.604 23.428 54.478 1.00 0.00 ATOM 216 CG2 ILE A 28 13.661 23.169 57.001 1.00 0.00 ATOM 217 CD1 ILE A 28 14.900 22.692 54.164 1.00 0.00 ATOM 218 O ILE A 28 13.151 26.394 57.747 1.00 0.00 ATOM 219 C ILE A 28 12.410 25.475 57.393 1.00 0.00 ATOM 220 N CYS A 29 11.594 24.830 58.215 1.00 0.00 ATOM 221 CA CYS A 29 11.553 25.128 59.636 1.00 0.00 ATOM 222 CB CYS A 29 10.133 25.061 60.144 1.00 0.00 ATOM 223 SG CYS A 29 9.981 25.463 61.911 1.00 0.00 ATOM 224 O CYS A 29 11.804 22.873 60.368 1.00 0.00 ATOM 225 C CYS A 29 12.231 24.011 60.409 1.00 0.00 ATOM 226 N LYS A 30 13.272 24.416 61.156 1.00 0.00 ATOM 227 CA LYS A 30 14.012 23.454 61.965 1.00 0.00 ATOM 228 CB LYS A 30 15.346 24.083 62.378 1.00 0.00 ATOM 229 CG LYS A 30 16.292 24.367 61.219 1.00 0.00 ATOM 230 CD LYS A 30 17.593 24.987 61.708 1.00 0.00 ATOM 231 CE LYS A 30 18.551 25.245 60.556 1.00 0.00 ATOM 232 NZ LYS A 30 19.836 25.834 61.020 1.00 0.00 ATOM 233 O LYS A 30 13.455 21.839 63.669 1.00 0.00 ATOM 234 C LYS A 30 13.253 22.991 63.202 1.00 0.00 ATOM 235 N GLY A 31 12.376 23.846 63.806 1.00 0.00 ATOM 236 CA GLY A 31 11.568 23.452 64.955 1.00 0.00 ATOM 237 O GLY A 31 11.480 21.047 64.900 1.00 0.00 ATOM 238 C GLY A 31 10.884 22.109 64.692 1.00 0.00 ATOM 239 N ASP A 32 9.632 22.153 64.162 1.00 0.00 ATOM 240 CA ASP A 32 8.899 20.911 63.887 1.00 0.00 ATOM 241 CB ASP A 32 7.437 21.120 64.275 1.00 0.00 ATOM 242 CG ASP A 32 7.242 21.344 65.765 1.00 0.00 ATOM 243 OD1 ASP A 32 8.074 20.880 66.576 1.00 0.00 ATOM 244 OD2 ASP A 32 6.232 22.003 66.088 1.00 0.00 ATOM 245 O ASP A 32 8.203 19.439 62.121 1.00 0.00 ATOM 246 C ASP A 32 8.960 20.349 62.472 1.00 0.00 ATOM 247 N ARG A 33 9.944 20.986 61.673 1.00 0.00 ATOM 248 CA ARG A 33 10.169 20.550 60.293 1.00 0.00 ATOM 249 CB ARG A 33 11.413 19.491 60.477 1.00 0.00 ATOM 250 CG ARG A 33 12.731 20.209 60.841 1.00 0.00 ATOM 251 CD ARG A 33 13.629 20.543 59.642 1.00 0.00 ATOM 252 NE ARG A 33 13.729 19.375 58.783 1.00 0.00 ATOM 253 CZ ARG A 33 13.633 19.196 57.490 1.00 0.00 ATOM 254 NH1 ARG A 33 13.430 20.197 56.659 1.00 0.00 ATOM 255 NH2 ARG A 33 13.663 17.967 57.006 1.00 0.00 ATOM 256 O ARG A 33 9.033 20.088 58.209 1.00 0.00 ATOM 257 C ARG A 33 9.021 20.726 59.264 1.00 0.00 ATOM 258 N LEU A 34 8.337 21.868 59.354 1.00 0.00 ATOM 259 CA LEU A 34 7.438 22.346 58.278 1.00 0.00 ATOM 260 CB LEU A 34 6.509 23.473 58.751 1.00 0.00 ATOM 261 CG LEU A 34 5.524 23.063 59.855 1.00 0.00 ATOM 262 CD1 LEU A 34 4.746 24.294 60.320 1.00 0.00 ATOM 263 CD2 LEU A 34 4.531 22.015 59.368 1.00 0.00 ATOM 264 O LEU A 34 9.465 23.246 57.308 1.00 0.00 ATOM 265 C LEU A 34 8.319 22.825 57.115 1.00 0.00 ATOM 266 N ALA A 35 7.780 22.696 55.912 1.00 0.00 ATOM 267 CA ALA A 35 8.465 23.183 54.708 1.00 0.00 ATOM 268 CB ALA A 35 9.077 22.022 53.960 1.00 0.00 ATOM 269 O ALA A 35 6.284 23.395 53.745 1.00 0.00 ATOM 270 C ALA A 35 7.423 23.853 53.825 1.00 0.00 ATOM 271 N PHE A 36 7.792 24.998 53.280 1.00 0.00 ATOM 272 CA PHE A 36 6.925 25.743 52.362 1.00 0.00 ATOM 273 CB PHE A 36 6.471 27.051 53.063 1.00 0.00 ATOM 274 CG PHE A 36 6.117 26.892 54.513 1.00 0.00 ATOM 275 CD1 PHE A 36 4.999 26.171 54.892 1.00 0.00 ATOM 276 CD2 PHE A 36 6.916 27.462 55.505 1.00 0.00 ATOM 277 CE1 PHE A 36 4.670 26.016 56.236 1.00 0.00 ATOM 278 CE2 PHE A 36 6.596 27.313 56.851 1.00 0.00 ATOM 279 CZ PHE A 36 5.471 26.589 57.221 1.00 0.00 ATOM 280 O PHE A 36 8.653 26.288 50.826 1.00 0.00 ATOM 281 C PHE A 36 7.558 25.769 50.967 1.00 0.00 ATOM 282 N PRO A 37 7.002 24.997 50.011 1.00 0.00 ATOM 283 CA PRO A 37 7.455 25.058 48.610 1.00 0.00 ATOM 284 CB PRO A 37 6.688 23.926 47.970 1.00 0.00 ATOM 285 CG PRO A 37 5.353 24.024 48.675 1.00 0.00 ATOM 286 CD PRO A 37 5.755 24.210 50.132 1.00 0.00 ATOM 287 O PRO A 37 6.100 27.006 48.439 1.00 0.00 ATOM 288 C PRO A 37 7.146 26.455 48.079 1.00 0.00 ATOM 289 N ILE A 38 8.109 27.048 47.468 1.00 0.00 ATOM 290 CA ILE A 38 7.910 28.432 46.972 1.00 0.00 ATOM 291 CB ILE A 38 8.710 29.458 47.796 1.00 0.00 ATOM 292 CG1 ILE A 38 8.143 29.561 49.215 1.00 0.00 ATOM 293 CG2 ILE A 38 8.692 30.818 47.113 1.00 0.00 ATOM 294 CD1 ILE A 38 9.114 30.138 50.219 1.00 0.00 ATOM 295 O ILE A 38 9.551 28.591 45.288 1.00 0.00 ATOM 296 C ILE A 38 8.343 28.634 45.530 1.00 0.00 ATOM 297 N LYS A 39 7.541 29.407 44.791 1.00 0.00 ATOM 298 CA LYS A 39 7.832 29.711 43.397 1.00 0.00 ATOM 299 CB LYS A 39 6.689 29.266 42.499 1.00 0.00 ATOM 300 CG LYS A 39 6.889 29.660 41.045 1.00 0.00 ATOM 301 CD LYS A 39 5.793 29.078 40.154 1.00 0.00 ATOM 302 CE LYS A 39 6.040 29.420 38.684 1.00 0.00 ATOM 303 NZ LYS A 39 5.013 28.811 37.781 1.00 0.00 ATOM 304 O LYS A 39 7.074 31.953 43.743 1.00 0.00 ATOM 305 C LYS A 39 7.970 31.223 43.320 1.00 0.00 ATOM 306 N ASP A 40 9.137 31.665 42.872 1.00 0.00 ATOM 307 CA ASP A 40 9.395 33.118 42.670 1.00 0.00 ATOM 308 CB ASP A 40 8.478 33.697 41.589 1.00 0.00 ATOM 309 CG ASP A 40 8.707 33.125 40.197 1.00 0.00 ATOM 310 OD1 ASP A 40 9.834 33.095 39.767 1.00 0.00 ATOM 311 OD2 ASP A 40 7.782 32.583 39.641 1.00 0.00 ATOM 312 O ASP A 40 8.771 35.074 43.981 1.00 0.00 ATOM 313 C ASP A 40 9.232 33.931 43.969 1.00 0.00 ATOM 314 N GLY A 41 9.669 33.352 45.076 1.00 0.00 ATOM 315 CA GLY A 41 9.591 34.002 46.411 1.00 0.00 ATOM 316 O GLY A 41 7.925 34.492 48.107 1.00 0.00 ATOM 317 C GLY A 41 8.183 33.962 47.038 1.00 0.00 ATOM 318 N ILE A 42 7.253 33.300 46.399 1.00 0.00 ATOM 319 CA ILE A 42 5.891 33.182 46.962 1.00 0.00 ATOM 320 CB ILE A 42 4.821 33.720 45.994 1.00 0.00 ATOM 321 CG1 ILE A 42 5.057 35.207 45.710 1.00 0.00 ATOM 322 CG2 ILE A 42 3.430 33.498 46.562 1.00 0.00 ATOM 323 CD1 ILE A 42 4.190 35.764 44.604 1.00 0.00 ATOM 324 O ILE A 42 5.686 30.850 46.427 1.00 0.00 ATOM 325 C ILE A 42 5.564 31.730 47.279 1.00 0.00 ATOM 326 N PRO A 43 5.189 31.432 48.543 1.00 0.00 ATOM 327 CA PRO A 43 4.857 30.068 48.955 1.00 0.00 ATOM 328 CB PRO A 43 4.529 30.229 50.450 1.00 0.00 ATOM 329 CG PRO A 43 5.262 31.486 50.836 1.00 0.00 ATOM 330 CD PRO A 43 5.023 32.374 49.648 1.00 0.00 ATOM 331 O PRO A 43 2.667 30.242 47.980 1.00 0.00 ATOM 332 C PRO A 43 3.606 29.505 48.286 1.00 0.00 ATOM 333 N MET A 44 3.636 28.206 48.050 1.00 0.00 ATOM 334 CA MET A 44 2.503 27.551 47.414 1.00 0.00 ATOM 335 CB MET A 44 2.745 26.072 47.262 1.00 0.00 ATOM 336 CG MET A 44 1.566 25.330 46.633 1.00 0.00 ATOM 337 SD MET A 44 1.723 23.533 46.776 1.00 0.00 ATOM 338 CE MET A 44 1.378 23.327 48.515 1.00 0.00 ATOM 339 O MET A 44 0.197 28.172 47.818 1.00 0.00 ATOM 340 C MET A 44 1.263 27.753 48.295 1.00 0.00 ATOM 341 N MET A 45 1.381 27.466 49.583 1.00 0.00 ATOM 342 CA MET A 45 0.234 27.605 50.479 1.00 0.00 ATOM 343 CB MET A 45 0.615 27.094 51.873 1.00 0.00 ATOM 344 CG MET A 45 0.802 25.612 52.012 1.00 0.00 ATOM 345 SD MET A 45 1.446 25.079 53.583 1.00 0.00 ATOM 346 CE MET A 45 0.003 25.371 54.623 1.00 0.00 ATOM 347 O MET A 45 -1.450 29.274 50.687 1.00 0.00 ATOM 348 C MET A 45 -0.254 29.044 50.620 1.00 0.00 ATOM 349 N LEU A 46 0.678 29.996 50.601 1.00 0.00 ATOM 350 CA LEU A 46 0.378 31.415 50.796 1.00 0.00 ATOM 351 CB LEU A 46 1.674 32.202 51.034 1.00 0.00 ATOM 352 CG LEU A 46 1.489 33.707 51.271 1.00 0.00 ATOM 353 CD1 LEU A 46 0.633 33.940 52.508 1.00 0.00 ATOM 354 CD2 LEU A 46 2.850 34.368 51.424 1.00 0.00 ATOM 355 O LEU A 46 -1.360 32.638 49.834 1.00 0.00 ATOM 356 C LEU A 46 -0.377 31.973 49.611 1.00 0.00 ATOM 357 N GLU A 47 0.002 31.661 48.372 1.00 0.00 ATOM 358 CA GLU A 47 -0.760 32.128 47.204 1.00 0.00 ATOM 359 CB GLU A 47 0.004 31.775 45.920 1.00 0.00 ATOM 360 CG GLU A 47 -0.729 32.203 44.660 1.00 0.00 ATOM 361 CD GLU A 47 0.108 32.025 43.409 1.00 0.00 ATOM 362 OE1 GLU A 47 1.001 31.154 43.394 1.00 0.00 ATOM 363 OE2 GLU A 47 -0.141 32.761 42.440 1.00 0.00 ATOM 364 O GLU A 47 -3.120 32.299 46.992 1.00 0.00 ATOM 365 C GLU A 47 -2.179 31.548 47.175 1.00 0.00 ATOM 366 N SER A 48 -2.300 30.260 47.488 1.00 0.00 ATOM 367 CA SER A 48 -3.623 29.601 47.590 1.00 0.00 ATOM 368 CB SER A 48 -3.448 28.109 47.791 1.00 0.00 ATOM 369 OG SER A 48 -2.881 27.488 46.669 1.00 0.00 ATOM 370 O SER A 48 -5.587 30.653 48.502 1.00 0.00 ATOM 371 C SER A 48 -4.470 30.181 48.728 1.00 0.00 ATOM 372 N GLU A 49 -3.846 30.310 49.893 1.00 0.00 ATOM 373 CA GLU A 49 -4.497 30.874 51.096 1.00 0.00 ATOM 374 CB GLU A 49 -3.714 30.728 52.382 1.00 0.00 ATOM 375 CG GLU A 49 -3.894 29.291 52.837 1.00 0.00 ATOM 376 CD GLU A 49 -2.871 28.749 53.797 1.00 0.00 ATOM 377 OE1 GLU A 49 -1.931 29.402 54.245 1.00 0.00 ATOM 378 OE2 GLU A 49 -2.963 27.532 54.130 1.00 0.00 ATOM 379 O GLU A 49 -5.814 32.886 51.202 1.00 0.00 ATOM 380 C GLU A 49 -4.736 32.374 50.891 1.00 0.00 ATOM 381 N ALA A 50 -3.747 33.077 50.316 1.00 0.00 ATOM 382 CA ALA A 50 -3.853 34.518 50.070 1.00 0.00 ATOM 383 CB ALA A 50 -2.540 35.167 49.607 1.00 0.00 ATOM 384 O ALA A 50 -5.649 35.805 49.214 1.00 0.00 ATOM 385 C ALA A 50 -4.925 34.838 49.038 1.00 0.00 ATOM 386 N ARG A 51 -5.062 34.003 48.010 1.00 0.00 ATOM 387 CA ARG A 51 -6.113 34.219 46.990 1.00 0.00 ATOM 388 CB ARG A 51 -5.974 33.230 45.828 1.00 0.00 ATOM 389 CG ARG A 51 -4.790 33.470 44.912 1.00 0.00 ATOM 390 CD ARG A 51 -4.827 32.689 43.558 1.00 0.00 ATOM 391 NE ARG A 51 -3.634 32.961 42.739 1.00 0.00 ATOM 392 CZ ARG A 51 -3.414 34.095 42.073 1.00 0.00 ATOM 393 NH1 ARG A 51 -4.305 35.085 42.086 1.00 0.00 ATOM 394 NH2 ARG A 51 -2.293 34.249 41.380 1.00 0.00 ATOM 395 O ARG A 51 -8.393 34.908 47.294 1.00 0.00 ATOM 396 C ARG A 51 -7.523 34.084 47.577 1.00 0.00 ATOM 397 N GLU A 52 -7.700 33.087 48.424 1.00 0.00 ATOM 398 CA GLU A 52 -9.001 32.850 49.059 1.00 0.00 ATOM 399 CB GLU A 52 -9.109 31.609 49.806 1.00 0.00 ATOM 400 CG GLU A 52 -9.122 30.413 48.845 1.00 0.00 ATOM 401 CD GLU A 52 -10.232 30.475 47.810 1.00 0.00 ATOM 402 OE1 GLU A 52 -11.432 30.544 48.166 1.00 0.00 ATOM 403 OE2 GLU A 52 -9.910 30.519 46.596 1.00 0.00 ATOM 404 O GLU A 52 -10.518 34.326 50.111 1.00 0.00 ATOM 405 C GLU A 52 -9.349 33.969 50.035 1.00 0.00 ATOM 406 N LEU A 53 -8.342 34.487 50.744 1.00 0.00 ATOM 407 CA LEU A 53 -8.497 35.573 51.736 1.00 0.00 ATOM 408 CB LEU A 53 -7.540 35.321 52.939 1.00 0.00 ATOM 409 CG LEU A 53 -7.739 33.925 53.550 1.00 0.00 ATOM 410 CD1 LEU A 53 -6.689 33.677 54.666 1.00 0.00 ATOM 411 CD2 LEU A 53 -9.150 33.818 54.130 1.00 0.00 ATOM 412 O LEU A 53 -7.711 37.029 49.986 1.00 0.00 ATOM 413 C LEU A 53 -8.106 36.938 51.135 1.00 0.00 ATOM 414 N ALA A 54 -8.372 38.002 51.889 1.00 0.00 ATOM 415 CA ALA A 54 -8.031 39.377 51.455 1.00 0.00 ATOM 416 CB ALA A 54 -9.151 40.317 51.850 1.00 0.00 ATOM 417 O ALA A 54 -6.239 39.251 53.025 1.00 0.00 ATOM 418 C ALA A 54 -6.798 39.918 52.158 1.00 0.00 ATOM 419 N PRO A 55 -6.213 41.088 51.711 1.00 0.00 ATOM 420 CA PRO A 55 -5.026 41.667 52.343 1.00 0.00 ATOM 421 CB PRO A 55 -4.804 42.974 51.549 1.00 0.00 ATOM 422 CG PRO A 55 -5.345 42.632 50.126 1.00 0.00 ATOM 423 CD PRO A 55 -6.557 41.753 50.392 1.00 0.00 ATOM 424 O PRO A 55 -4.456 41.467 54.639 1.00 0.00 ATOM 425 C PRO A 55 -5.269 41.901 53.838 1.00 0.00 ATOM 426 N GLU A 56 -6.519 42.213 54.197 1.00 0.00 ATOM 427 CA GLU A 56 -6.923 42.436 55.599 1.00 0.00 ATOM 428 CB GLU A 56 -8.322 42.927 55.695 1.00 0.00 ATOM 429 CG GLU A 56 -8.510 44.363 55.209 1.00 0.00 ATOM 430 CD GLU A 56 -8.745 44.484 53.722 1.00 0.00 ATOM 431 OE1 GLU A 56 -8.740 43.480 52.969 1.00 0.00 ATOM 432 OE2 GLU A 56 -8.967 45.632 53.253 1.00 0.00 ATOM 433 O GLU A 56 -6.294 41.061 57.442 1.00 0.00 ATOM 434 C GLU A 56 -6.962 41.160 56.417 1.00 0.00 ATOM 435 N GLU A 57 -7.666 40.129 55.944 1.00 0.00 ATOM 436 CA GLU A 57 -7.748 38.855 56.646 1.00 0.00 ATOM 437 CB GLU A 57 -8.817 37.925 55.957 1.00 0.00 ATOM 438 CG GLU A 57 -10.219 38.501 55.996 1.00 0.00 ATOM 439 CD GLU A 57 -11.292 37.640 55.306 1.00 0.00 ATOM 440 OE1 GLU A 57 -11.087 37.182 54.160 1.00 0.00 ATOM 441 OE2 GLU A 57 -12.353 37.458 55.915 1.00 0.00 ATOM 442 O GLU A 57 -6.040 37.551 57.695 1.00 0.00 ATOM 443 C GLU A 57 -6.392 38.133 56.675 1.00 0.00 ATOM 444 N GLU A 58 -5.645 38.197 55.580 1.00 0.00 ATOM 445 CA GLU A 58 -4.348 37.530 55.503 1.00 0.00 ATOM 446 CB GLU A 58 -3.722 37.737 54.116 1.00 0.00 ATOM 447 CG GLU A 58 -2.248 37.347 54.012 1.00 0.00 ATOM 448 CD GLU A 58 -1.749 37.268 52.569 1.00 0.00 ATOM 449 OE1 GLU A 58 -2.272 38.010 51.711 1.00 0.00 ATOM 450 OE2 GLU A 58 -0.818 36.480 52.302 1.00 0.00 ATOM 451 O GLU A 58 -2.538 37.385 57.084 1.00 0.00 ATOM 452 C GLU A 58 -3.335 38.116 56.487 1.00 0.00 ATOM 453 N VAL A 59 -3.333 39.441 56.647 1.00 0.00 ATOM 454 CA VAL A 59 -2.417 40.086 57.582 1.00 0.00 ATOM 455 CB VAL A 59 -2.538 41.660 57.417 1.00 0.00 ATOM 456 CG1 VAL A 59 -1.809 42.371 58.558 1.00 0.00 ATOM 457 CG2 VAL A 59 -1.958 42.096 56.085 1.00 0.00 ATOM 458 O VAL A 59 -1.838 39.243 59.757 1.00 0.00 ATOM 459 C VAL A 59 -2.728 39.602 58.990 1.00 0.00 ATOM 460 N LYS A 60 -4.003 39.541 59.371 1.00 0.00 ATOM 461 CA LYS A 60 -4.396 39.039 60.704 1.00 0.00 ATOM 462 CB LYS A 60 -5.912 39.117 60.864 1.00 0.00 ATOM 463 CG LYS A 60 -6.411 40.557 60.922 1.00 0.00 ATOM 464 CD LYS A 60 -7.932 40.552 61.059 1.00 0.00 ATOM 465 CE LYS A 60 -8.466 41.985 60.990 1.00 0.00 ATOM 466 NZ LYS A 60 -9.921 42.029 61.191 1.00 0.00 ATOM 467 O LYS A 60 -3.406 37.254 61.959 1.00 0.00 ATOM 468 C LYS A 60 -3.937 37.600 60.894 1.00 0.00 ATOM 469 N LEU A 61 -4.053 36.778 59.834 1.00 0.00 ATOM 470 CA LEU A 61 -3.632 35.386 59.887 1.00 0.00 ATOM 471 CB LEU A 61 -4.048 34.691 58.584 1.00 0.00 ATOM 472 CG LEU A 61 -3.720 33.195 58.507 1.00 0.00 ATOM 473 CD1 LEU A 61 -4.433 32.445 59.624 1.00 0.00 ATOM 474 CD2 LEU A 61 -4.129 32.655 57.145 1.00 0.00 ATOM 475 O LEU A 61 -1.608 34.402 60.703 1.00 0.00 ATOM 476 C LEU A 61 -2.120 35.327 60.077 1.00 0.00 ATOM 477 N GLU A 62 -1.436 36.193 59.350 1.00 0.00 ATOM 478 CA GLU A 62 0.013 36.223 59.452 1.00 0.00 ATOM 479 CB GLU A 62 0.611 37.371 58.638 1.00 0.00 ATOM 480 CG GLU A 62 2.083 37.639 58.916 1.00 0.00 ATOM 481 CD GLU A 62 2.596 38.784 58.086 1.00 0.00 ATOM 482 OE1 GLU A 62 2.488 38.720 56.886 1.00 0.00 ATOM 483 OE2 GLU A 62 2.990 39.774 58.658 1.00 0.00 ATOM 484 O GLU A 62 1.225 35.694 61.501 1.00 0.00 ATOM 485 C GLU A 62 0.376 36.392 60.933 1.00 0.00 ATOM 486 N HIS A 63 -0.345 37.307 61.577 1.00 0.00 ATOM 487 CA HIS A 63 -0.094 37.570 63.008 1.00 0.00 ATOM 488 CB HIS A 63 -0.834 38.831 63.467 1.00 0.00 ATOM 489 CG HIS A 63 -0.260 40.098 62.913 1.00 0.00 ATOM 490 CD2 HIS A 63 -0.781 41.022 62.073 1.00 0.00 ATOM 491 ND1 HIS A 63 1.012 40.536 63.223 1.00 0.00 ATOM 492 CE1 HIS A 63 1.246 41.675 62.594 1.00 0.00 ATOM 493 NE2 HIS A 63 0.174 41.990 61.891 1.00 0.00 ATOM 494 O HIS A 63 0.123 36.175 64.943 1.00 0.00 ATOM 495 C HIS A 63 -0.500 36.410 63.918 1.00 0.00 ATOM 496 N HIS A 64 -1.567 35.699 63.538 1.00 0.00 ATOM 497 CA HIS A 64 -1.981 34.499 64.293 1.00 0.00 ATOM 498 CB HIS A 64 -3.307 33.971 63.721 1.00 0.00 ATOM 499 CG HIS A 64 -4.502 34.787 64.097 1.00 0.00 ATOM 500 CD2 HIS A 64 -5.376 35.492 63.331 1.00 0.00 ATOM 501 ND1 HIS A 64 -4.916 34.914 65.417 1.00 0.00 ATOM 502 CE1 HIS A 64 -6.004 35.676 65.431 1.00 0.00 ATOM 503 NE2 HIS A 64 -6.287 36.073 64.187 1.00 0.00 ATOM 504 O HIS A 64 -0.644 32.721 65.268 1.00 0.00 ATOM 505 C HIS A 64 -0.906 33.390 64.254 1.00 0.00 ATOM 506 N HIS A 65 -0.320 33.192 63.071 1.00 0.00 ATOM 507 CA HIS A 65 0.731 32.189 62.915 1.00 0.00 ATOM 508 CB HIS A 65 1.148 32.084 61.445 1.00 0.00 ATOM 509 CG HIS A 65 0.116 31.441 60.570 1.00 0.00 ATOM 510 CD2 HIS A 65 -1.010 30.757 60.876 1.00 0.00 ATOM 511 ND1 HIS A 65 0.186 31.468 59.194 1.00 0.00 ATOM 512 CE1 HIS A 65 -0.854 30.826 58.691 1.00 0.00 ATOM 513 NE2 HIS A 65 -1.594 30.385 59.691 1.00 0.00 ATOM 514 O HIS A 65 2.545 31.801 64.443 1.00 0.00 ATOM 515 C HIS A 65 1.915 32.620 63.778 1.00 0.00 ATOM 516 N HIS A 66 2.261 33.888 63.675 1.00 0.00 ATOM 517 CA HIS A 66 3.362 34.491 64.414 1.00 0.00 ATOM 518 CB HIS A 66 3.513 35.959 64.002 1.00 0.00 ATOM 519 CG HIS A 66 4.090 36.144 62.635 1.00 0.00 ATOM 520 CD2 HIS A 66 4.709 35.273 61.804 1.00 0.00 ATOM 521 ND1 HIS A 66 4.065 37.354 61.974 1.00 0.00 ATOM 522 CE1 HIS A 66 4.645 37.219 60.793 1.00 0.00 ATOM 523 NE2 HIS A 66 5.042 35.966 60.666 1.00 0.00 ATOM 524 O HIS A 66 3.942 34.074 66.712 1.00 0.00 ATOM 525 C HIS A 66 3.058 34.372 65.898 1.00 0.00 ATOM 526 N HIS A 67 1.791 34.527 66.263 1.00 0.00 ATOM 527 CA HIS A 67 1.381 34.402 67.660 1.00 0.00 ATOM 528 CB HIS A 67 -0.092 34.808 67.797 1.00 0.00 ATOM 529 CG HIS A 67 -0.673 34.522 69.148 1.00 0.00 ATOM 530 CD2 HIS A 67 -1.337 33.441 69.620 1.00 0.00 ATOM 531 ND1 HIS A 67 -0.583 35.406 70.199 1.00 0.00 ATOM 532 CE1 HIS A 67 -1.165 34.881 71.264 1.00 0.00 ATOM 533 NE2 HIS A 67 -1.630 33.690 70.940 1.00 0.00 ATOM 534 O HIS A 67 2.385 32.730 69.060 1.00 0.00 ATOM 535 C HIS A 67 1.628 32.970 68.121 1.00 0.00 ATOM 536 N HIS A 68 1.001 32.017 67.445 1.00 0.00 ATOM 537 CA HIS A 68 1.161 30.621 67.809 1.00 0.00 ATOM 538 CB HIS A 68 0.075 29.786 67.143 1.00 0.00 ATOM 539 CG HIS A 68 -1.292 30.077 67.675 1.00 0.00 ATOM 540 CD2 HIS A 68 -2.343 30.728 67.125 1.00 0.00 ATOM 541 ND1 HIS A 68 -1.674 29.733 68.953 1.00 0.00 ATOM 542 CE1 HIS A 68 -2.906 30.162 69.170 1.00 0.00 ATOM 543 NE2 HIS A 68 -3.333 30.770 68.079 1.00 0.00 ATOM 544 O HIS A 68 2.967 29.134 68.274 1.00 0.00 ATOM 545 C HIS A 68 2.545 30.049 67.570 1.00 0.00 ENDMDL EXPDTA 2hf1A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hf1A ATOM 1 N ASP 2 -0.180 52.346 48.091 1.00 0.00 ATOM 2 CA ASP 2 -0.766 51.284 47.223 1.00 0.00 ATOM 3 CB ASP 2 -0.006 51.214 45.903 1.00 0.00 ATOM 4 O ASP 2 0.107 49.703 48.810 1.00 0.00 ATOM 5 C ASP 2 -0.720 49.927 47.924 1.00 0.00 ATOM 6 N ALA 3 -1.614 49.028 47.524 1.00 0.00 ATOM 7 CA ALA 3 -1.672 47.698 48.109 1.00 0.00 ATOM 8 CB ALA 3 -2.979 47.017 47.737 1.00 0.00 ATOM 9 O ALA 3 -0.280 46.796 46.385 1.00 0.00 ATOM 10 C ALA 3 -0.499 46.885 47.593 1.00 0.00 ATOM 11 N LYS 4 0.259 46.297 48.508 1.00 0.00 ATOM 12 CA LYS 4 1.403 45.490 48.117 1.00 0.00 ATOM 13 CB LYS 4 2.686 46.318 48.194 1.00 0.00 ATOM 14 CG LYS 4 2.916 47.013 49.521 1.00 0.00 ATOM 15 CD LYS 4 3.884 48.168 49.337 1.00 0.00 ATOM 16 CE LYS 4 3.315 49.198 48.359 1.00 0.00 ATOM 17 NZ LYS 4 4.295 50.261 47.991 1.00 0.00 ATOM 18 O LYS 4 0.861 44.102 49.998 1.00 0.00 ATOM 19 C LYS 4 1.524 44.237 48.967 1.00 0.00 ATOM 20 N PHE 5 2.374 43.323 48.516 1.00 0.00 ATOM 21 CA PHE 5 2.583 42.062 49.206 1.00 0.00 ATOM 22 CB PHE 5 2.696 40.933 48.179 1.00 0.00 ATOM 23 CG PHE 5 2.637 39.557 48.777 1.00 0.00 ATOM 24 CD1 PHE 5 3.746 39.005 49.406 1.00 0.00 ATOM 25 CD2 PHE 5 1.460 38.817 48.721 1.00 0.00 ATOM 26 CE1 PHE 5 3.686 37.733 49.971 1.00 0.00 ATOM 27 CE2 PHE 5 1.385 37.544 49.281 1.00 0.00 ATOM 28 CZ PHE 5 2.501 36.999 49.909 1.00 0.00 ATOM 29 O PHE 5 4.950 42.069 49.658 1.00 0.00 ATOM 30 C PHE 5 3.808 42.075 50.119 1.00 0.00 ATOM 31 N LEU 6 3.546 42.102 51.422 1.00 0.00 ATOM 32 CA LEU 6 4.589 42.088 52.438 1.00 0.00 ATOM 33 CB LEU 6 4.689 43.444 53.147 1.00 0.00 ATOM 34 CG LEU 6 5.171 44.701 52.403 1.00 0.00 ATOM 35 CD1 LEU 6 4.976 45.913 53.313 1.00 0.00 ATOM 36 CD2 LEU 6 6.637 44.561 52.002 1.00 0.00 ATOM 37 O LEU 6 3.144 41.053 54.060 1.00 0.00 ATOM 38 C LEU 6 4.227 41.016 53.468 1.00 0.00 ATOM 39 N GLU 7 5.118 40.050 53.670 1.00 0.00 ATOM 40 CA GLU 7 4.858 39.005 54.657 1.00 0.00 ATOM 41 CB GLU 7 4.279 37.749 53.994 1.00 0.00 ATOM 42 CG GLU 7 5.103 37.183 52.863 1.00 0.00 ATOM 43 CD GLU 7 4.662 35.780 52.467 1.00 0.00 ATOM 44 OE1 GLU 7 3.504 35.404 52.756 1.00 0.00 ATOM 45 OE2 GLU 7 5.472 35.057 51.854 1.00 0.00 ATOM 46 O GLU 7 7.186 38.470 54.885 1.00 0.00 ATOM 47 C GLU 7 6.109 38.647 55.450 1.00 0.00 ATOM 48 N ILE 8 5.965 38.564 56.770 1.00 0.00 ATOM 49 CA ILE 8 7.091 38.213 57.628 1.00 0.00 ATOM 50 CB ILE 8 6.746 38.424 59.117 1.00 0.00 ATOM 51 CG1 ILE 8 7.968 38.116 59.983 1.00 0.00 ATOM 52 CG2 ILE 8 5.564 37.553 59.512 1.00 0.00 ATOM 53 CD1 ILE 8 7.790 38.487 61.441 1.00 0.00 ATOM 54 O ILE 8 6.574 35.903 57.222 1.00 0.00 ATOM 55 C ILE 8 7.449 36.748 57.367 1.00 0.00 ATOM 56 N LEU 9 8.740 36.451 57.292 1.00 0.00 ATOM 57 CA LEU 9 9.174 35.092 57.011 1.00 0.00 ATOM 58 CB LEU 9 10.376 35.102 56.061 1.00 0.00 ATOM 59 CG LEU 9 10.136 35.740 54.690 1.00 0.00 ATOM 60 CD1 LEU 9 11.346 35.507 53.790 1.00 0.00 ATOM 61 CD2 LEU 9 8.889 35.138 54.064 1.00 0.00 ATOM 62 O LEU 9 10.685 34.135 58.580 1.00 0.00 ATOM 63 C LEU 9 9.517 34.289 58.249 1.00 0.00 ATOM 64 N VAL 10 8.481 33.812 58.936 1.00 0.00 ATOM 65 CA VAL 10 8.636 32.976 60.113 1.00 0.00 ATOM 66 CB VAL 10 8.272 33.709 61.437 1.00 0.00 ATOM 67 CG1 VAL 10 9.349 34.715 61.782 1.00 0.00 ATOM 68 CG2 VAL 10 6.925 34.392 61.317 1.00 0.00 ATOM 69 O VAL 10 6.725 31.890 59.154 1.00 0.00 ATOM 70 C VAL 10 7.695 31.798 59.914 1.00 0.00 ATOM 71 N CYS 11 7.990 30.687 60.573 1.00 0.00 ATOM 72 CA CYS 11 7.153 29.508 60.446 1.00 0.00 ATOM 73 CB CYS 11 7.723 28.359 61.275 1.00 0.00 ATOM 74 SG CYS 11 6.616 26.950 61.291 1.00 0.00 ATOM 75 O CYS 11 5.573 30.377 62.016 1.00 0.00 ATOM 76 C CYS 11 5.746 29.836 60.930 1.00 0.00 ATOM 77 N PRO 12 4.721 29.510 60.131 1.00 0.00 ATOM 78 CA PRO 12 3.340 29.797 60.528 1.00 0.00 ATOM 79 CB PRO 12 2.533 29.332 59.318 1.00 0.00 ATOM 80 CG PRO 12 3.345 28.219 58.787 1.00 0.00 ATOM 81 CD PRO 12 4.753 28.773 58.859 1.00 0.00 ATOM 82 O PRO 12 1.859 29.433 62.382 1.00 0.00 ATOM 83 C PRO 12 2.905 29.106 61.824 1.00 0.00 ATOM 84 N LEU 13 3.710 28.162 62.305 1.00 0.00 ATOM 85 CA LEU 13 3.387 27.443 63.533 1.00 0.00 ATOM 86 CB LEU 13 3.667 25.947 63.361 1.00 0.00 ATOM 87 CG LEU 13 2.658 25.144 62.538 1.00 0.00 ATOM 88 CD1 LEU 13 3.116 23.696 62.425 1.00 0.00 ATOM 89 CD2 LEU 13 1.297 25.212 63.206 1.00 0.00 ATOM 90 O LEU 13 3.486 28.494 65.690 1.00 0.00 ATOM 91 C LEU 13 4.110 27.941 64.783 1.00 0.00 ATOM 92 N CYS 14 5.423 27.736 64.832 1.00 0.00 ATOM 93 CA CYS 14 6.227 28.133 65.984 1.00 0.00 ATOM 94 CB CYS 14 7.433 27.201 66.115 1.00 0.00 ATOM 95 SG CYS 14 8.664 27.399 64.788 1.00 0.00 ATOM 96 O CYS 14 7.301 30.067 66.901 1.00 0.00 ATOM 97 C CYS 14 6.726 29.573 65.930 1.00 0.00 ATOM 98 N LYS 15 6.513 30.239 64.799 1.00 0.00 ATOM 99 CA LYS 15 6.968 31.616 64.611 1.00 0.00 ATOM 100 CB LYS 15 6.371 32.536 65.682 1.00 0.00 ATOM 101 CG LYS 15 4.981 33.036 65.349 1.00 0.00 ATOM 102 CD LYS 15 4.007 31.885 65.194 1.00 0.00 ATOM 103 CE LYS 15 2.673 32.360 64.641 1.00 0.00 ATOM 104 NZ LYS 15 2.012 33.396 65.488 1.00 0.00 ATOM 105 O LYS 15 9.031 32.820 64.859 1.00 0.00 ATOM 106 C LYS 15 8.490 31.739 64.623 1.00 0.00 ATOM 107 N GLY 16 9.178 30.632 64.360 1.00 0.00 ATOM 108 CA GLY 16 10.632 30.656 64.332 1.00 0.00 ATOM 109 O GLY 16 10.388 30.979 61.981 1.00 0.00 ATOM 110 C GLY 16 11.157 30.980 62.944 1.00 0.00 ATOM 111 N PRO 17 12.463 31.262 62.803 1.00 0.00 ATOM 112 CA PRO 17 13.064 31.585 61.504 1.00 0.00 ATOM 113 CB PRO 17 14.467 32.050 61.884 1.00 0.00 ATOM 114 CG PRO 17 14.766 31.216 63.094 1.00 0.00 ATOM 115 CD PRO 17 13.479 31.299 63.871 1.00 0.00 ATOM 116 O PRO 17 13.028 29.238 60.983 1.00 0.00 ATOM 117 C PRO 17 13.086 30.388 60.554 1.00 0.00 ATOM 118 N LEU 18 13.173 30.673 59.261 1.00 0.00 ATOM 119 CA LEU 18 13.193 29.631 58.243 1.00 0.00 ATOM 120 CB LEU 18 12.080 29.888 57.228 1.00 0.00 ATOM 121 CG LEU 18 10.695 29.936 57.866 1.00 0.00 ATOM 122 CD1 LEU 18 9.687 30.560 56.929 1.00 0.00 ATOM 123 CD2 LEU 18 10.295 28.521 58.256 1.00 0.00 ATOM 124 O LEU 18 15.219 30.595 57.390 1.00 0.00 ATOM 125 C LEU 18 14.532 29.578 57.530 1.00 0.00 ATOM 126 N VAL 19 14.904 28.383 57.084 1.00 0.00 ATOM 127 CA VAL 19 16.158 28.195 56.363 1.00 0.00 ATOM 128 CB VAL 19 16.877 26.907 56.814 1.00 0.00 ATOM 129 CG1 VAL 19 18.174 26.735 56.036 1.00 0.00 ATOM 130 CG2 VAL 19 17.162 26.971 58.300 1.00 0.00 ATOM 131 O VAL 19 15.015 27.280 54.462 1.00 0.00 ATOM 132 C VAL 19 15.843 28.095 54.872 1.00 0.00 ATOM 133 N PHE 20 16.497 28.925 54.066 1.00 0.00 ATOM 134 CA PHE 20 16.248 28.919 52.632 1.00 0.00 ATOM 135 CB PHE 20 16.621 30.276 52.016 1.00 0.00 ATOM 136 CG PHE 20 16.533 30.315 50.513 1.00 0.00 ATOM 137 CD1 PHE 20 17.675 30.524 49.743 1.00 0.00 ATOM 138 CD2 PHE 20 15.313 30.134 49.864 1.00 0.00 ATOM 139 CE1 PHE 20 17.605 30.563 48.343 1.00 0.00 ATOM 140 CE2 PHE 20 15.230 30.171 48.463 1.00 0.00 ATOM 141 CZ PHE 20 16.383 30.382 47.706 1.00 0.00 ATOM 142 O PHE 20 18.245 27.720 52.105 1.00 0.00 ATOM 143 C PHE 20 17.029 27.811 51.955 1.00 0.00 ATOM 144 N ASP 21 16.310 26.960 51.230 1.00 0.00 ATOM 145 CA ASP 21 16.923 25.861 50.491 1.00 0.00 ATOM 146 CB ASP 21 16.152 24.557 50.705 1.00 0.00 ATOM 147 CG ASP 21 16.861 23.354 50.090 1.00 0.00 ATOM 148 OD1 ASP 21 17.509 23.519 49.037 1.00 0.00 ATOM 149 OD2 ASP 21 16.762 22.246 50.652 1.00 0.00 ATOM 150 O ASP 21 15.827 26.195 48.385 1.00 0.00 ATOM 151 C ASP 21 16.881 26.240 49.017 1.00 0.00 ATOM 152 N LYS 22 18.033 26.619 48.479 1.00 0.00 ATOM 153 CA LYS 22 18.146 27.029 47.083 1.00 0.00 ATOM 154 CB LYS 22 19.578 27.502 46.817 1.00 0.00 ATOM 155 CG LYS 22 19.873 27.970 45.395 1.00 0.00 ATOM 156 CD LYS 22 21.366 28.276 45.262 1.00 0.00 ATOM 157 CE LYS 22 21.738 28.841 43.896 1.00 0.00 ATOM 158 NZ LYS 22 23.191 29.186 43.839 1.00 0.00 ATOM 159 O LYS 22 17.048 26.184 45.116 1.00 0.00 ATOM 160 C LYS 22 17.767 25.930 46.086 1.00 0.00 ATOM 161 N SER 23 18.243 24.715 46.331 1.00 0.00 ATOM 162 CA SER 23 17.981 23.589 45.438 1.00 0.00 ATOM 163 CB SER 23 18.815 22.381 45.869 1.00 0.00 ATOM 164 OG SER 23 18.432 21.933 47.154 1.00 0.00 ATOM 165 O SER 23 16.081 22.767 44.233 1.00 0.00 ATOM 166 C SER 23 16.514 23.175 45.307 1.00 0.00 ATOM 167 N LYS 24 15.749 23.265 46.389 1.00 0.00 ATOM 168 CA LYS 24 14.337 22.890 46.335 1.00 0.00 ATOM 169 CB LYS 24 13.988 21.960 47.500 1.00 0.00 ATOM 170 CG LYS 24 14.502 20.545 47.344 1.00 0.00 ATOM 171 CD LYS 24 14.258 19.732 48.606 1.00 0.00 ATOM 172 CE LYS 24 14.671 18.281 48.417 1.00 0.00 ATOM 173 NZ LYS 24 13.866 17.631 47.346 1.00 0.00 ATOM 174 O LYS 24 12.199 23.966 46.379 1.00 0.00 ATOM 175 C LYS 24 13.423 24.106 46.380 1.00 0.00 ATOM 176 N ASP 25 14.031 25.290 46.392 1.00 0.00 ATOM 177 CA ASP 25 13.311 26.557 46.484 1.00 0.00 ATOM 178 CB ASP 25 12.746 26.995 45.121 1.00 0.00 ATOM 179 CG ASP 25 11.758 26.007 44.542 1.00 0.00 ATOM 180 OD1 ASP 25 12.198 24.947 44.050 1.00 0.00 ATOM 181 OD2 ASP 25 10.539 26.293 44.579 1.00 0.00 ATOM 182 O ASP 25 11.013 26.547 47.225 1.00 0.00 ATOM 183 C ASP 25 12.199 26.434 47.525 1.00 0.00 ATOM 184 N GLU 26 12.613 26.177 48.759 1.00 0.00 ATOM 185 CA GLU 26 11.689 26.030 49.877 1.00 0.00 ATOM 186 CB GLU 26 11.494 24.552 50.227 1.00 0.00 ATOM 187 CG GLU 26 10.866 23.709 49.134 1.00 0.00 ATOM 188 CD GLU 26 10.642 22.273 49.571 1.00 0.00 ATOM 189 OE1 GLU 26 11.586 21.664 50.122 1.00 0.00 ATOM 190 OE2 GLU 26 9.527 21.751 49.358 1.00 0.00 ATOM 191 O GLU 26 13.436 27.043 51.165 1.00 0.00 ATOM 192 C GLU 26 12.244 26.743 51.100 1.00 0.00 ATOM 193 N LEU 27 11.367 27.023 52.054 1.00 0.00 ATOM 194 CA LEU 27 11.766 27.657 53.309 1.00 0.00 ATOM 195 CB LEU 27 10.957 28.934 53.551 1.00 0.00 ATOM 196 CG LEU 27 11.230 30.062 52.555 1.00 0.00 ATOM 197 CD1 LEU 27 10.395 31.283 52.924 1.00 0.00 ATOM 198 CD2 LEU 27 12.717 30.410 52.563 1.00 0.00 ATOM 199 O LEU 27 10.317 26.202 54.548 1.00 0.00 ATOM 200 C LEU 27 11.466 26.603 54.367 1.00 0.00 ATOM 201 N ILE 28 12.514 26.156 55.051 1.00 0.00 ATOM 202 CA ILE 28 12.415 25.096 56.041 1.00 0.00 ATOM 203 CB ILE 28 13.608 24.115 55.880 1.00 0.00 ATOM 204 CG1 ILE 28 13.649 23.582 54.446 1.00 0.00 ATOM 205 CG2 ILE 28 13.495 22.945 56.878 1.00 0.00 ATOM 206 CD1 ILE 28 14.855 22.693 54.149 1.00 0.00 ATOM 207 O ILE 28 13.106 26.417 57.926 1.00 0.00 ATOM 208 C ILE 28 12.370 25.528 57.501 1.00 0.00 ATOM 209 N CYS 29 11.489 24.897 58.269 1.00 0.00 ATOM 210 CA CYS 29 11.442 25.177 59.693 1.00 0.00 ATOM 211 CB CYS 29 10.022 25.299 60.228 1.00 0.00 ATOM 212 SG CYS 29 10.035 25.321 62.054 1.00 0.00 ATOM 213 O CYS 29 11.540 22.874 60.334 1.00 0.00 ATOM 214 C CYS 29 12.102 23.967 60.333 1.00 0.00 ATOM 215 N LYS 30 13.300 24.173 60.863 1.00 0.00 ATOM 216 CA LYS 30 14.058 23.104 61.491 1.00 0.00 ATOM 217 CB LYS 30 15.414 23.654 61.954 1.00 0.00 ATOM 218 CG LYS 30 16.318 22.667 62.674 1.00 0.00 ATOM 219 CD LYS 30 16.795 21.555 61.758 1.00 0.00 ATOM 220 CE LYS 30 17.815 20.665 62.461 1.00 0.00 ATOM 221 NZ LYS 30 19.043 21.413 62.855 1.00 0.00 ATOM 222 O LYS 30 13.103 21.267 62.705 1.00 0.00 ATOM 223 C LYS 30 13.300 22.481 62.661 1.00 0.00 ATOM 224 N GLY 31 12.865 23.321 63.595 1.00 0.00 ATOM 225 CA GLY 31 12.148 22.848 64.768 1.00 0.00 ATOM 226 O GLY 31 10.508 21.216 65.371 1.00 0.00 ATOM 227 C GLY 31 10.881 22.043 64.535 1.00 0.00 ATOM 228 N ASP 32 10.211 22.274 63.410 1.00 0.00 ATOM 229 CA ASP 32 8.982 21.550 63.101 1.00 0.00 ATOM 230 CB ASP 32 7.877 22.537 62.723 1.00 0.00 ATOM 231 CG ASP 32 7.201 23.148 63.938 1.00 0.00 ATOM 232 OD1 ASP 32 6.759 24.310 63.851 1.00 0.00 ATOM 233 OD2 ASP 32 7.094 22.462 64.976 1.00 0.00 ATOM 234 O ASP 32 8.257 19.762 61.683 1.00 0.00 ATOM 235 C ASP 32 9.168 20.529 61.985 1.00 0.00 ATOM 236 N ARG 33 10.350 20.525 61.378 1.00 0.00 ATOM 237 CA ARG 33 10.655 19.596 60.300 1.00 0.00 ATOM 238 CB ARG 33 10.706 18.169 60.841 1.00 0.00 ATOM 239 O ARG 33 9.055 18.703 58.740 1.00 0.00 ATOM 240 C ARG 33 9.619 19.704 59.189 1.00 0.00 ATOM 241 N LEU 34 9.380 20.935 58.754 1.00 0.00 ATOM 242 CA LEU 34 8.427 21.221 57.696 1.00 0.00 ATOM 243 CB LEU 34 7.206 21.951 58.264 1.00 0.00 ATOM 244 CG LEU 34 6.303 21.226 59.265 1.00 0.00 ATOM 245 CD1 LEU 34 5.215 22.177 59.730 1.00 0.00 ATOM 246 CD2 LEU 34 5.684 19.986 58.617 1.00 0.00 ATOM 247 O LEU 34 9.939 22.943 56.973 1.00 0.00 ATOM 248 C LEU 34 9.090 22.107 56.645 1.00 0.00 ATOM 249 N ALA 35 8.701 21.918 55.388 1.00 0.00 ATOM 250 CA ALA 35 9.234 22.719 54.290 1.00 0.00 ATOM 251 CB ALA 35 9.961 21.832 53.278 1.00 0.00 ATOM 252 O ALA 35 7.122 22.795 53.155 1.00 0.00 ATOM 253 C ALA 35 8.074 23.433 53.608 1.00 0.00 ATOM 254 N PHE 36 8.146 24.757 53.548 1.00 0.00 ATOM 255 CA PHE 36 7.103 25.536 52.902 1.00 0.00 ATOM 256 CB PHE 36 6.819 26.816 53.695 1.00 0.00 ATOM 257 CG PHE 36 6.297 26.548 55.068 1.00 0.00 ATOM 258 CD1 PHE 36 7.163 26.166 56.087 1.00 0.00 ATOM 259 CD2 PHE 36 4.930 26.589 55.328 1.00 0.00 ATOM 260 CE1 PHE 36 6.677 25.822 57.340 1.00 0.00 ATOM 261 CE2 PHE 36 4.435 26.245 56.579 1.00 0.00 ATOM 262 CZ PHE 36 5.309 25.859 57.587 1.00 0.00 ATOM 263 O PHE 36 8.728 26.149 51.262 1.00 0.00 ATOM 264 C PHE 36 7.562 25.856 51.493 1.00 0.00 ATOM 265 N PRO 37 6.642 25.796 50.527 1.00 0.00 ATOM 266 CA PRO 37 7.019 26.081 49.147 1.00 0.00 ATOM 267 CB PRO 37 5.957 25.338 48.353 1.00 0.00 ATOM 268 CG PRO 37 4.726 25.566 49.196 1.00 0.00 ATOM 269 CD PRO 37 5.237 25.354 50.620 1.00 0.00 ATOM 270 O PRO 37 6.427 28.392 49.422 1.00 0.00 ATOM 271 C PRO 37 7.066 27.554 48.787 1.00 0.00 ATOM 272 N ILE 38 7.839 27.849 47.755 1.00 0.00 ATOM 273 CA ILE 38 7.962 29.191 47.223 1.00 0.00 ATOM 274 CB ILE 38 9.436 29.639 47.164 1.00 0.00 ATOM 275 CG1 ILE 38 10.028 29.656 48.584 1.00 0.00 ATOM 276 CG2 ILE 38 9.535 31.031 46.514 1.00 0.00 ATOM 277 CD1 ILE 38 11.535 29.894 48.624 1.00 0.00 ATOM 278 O ILE 38 7.968 28.315 44.990 1.00 0.00 ATOM 279 C ILE 38 7.397 29.027 45.817 1.00 0.00 ATOM 280 N LYS 39 6.250 29.645 45.564 1.00 0.00 ATOM 281 CA LYS 39 5.603 29.541 44.261 1.00 0.00 ATOM 282 CB LYS 39 4.158 29.069 44.436 1.00 0.00 ATOM 283 CG LYS 39 4.045 27.696 45.094 1.00 0.00 ATOM 284 CD LYS 39 2.611 27.195 45.115 1.00 0.00 ATOM 285 CE LYS 39 2.525 25.824 45.771 1.00 0.00 ATOM 286 NZ LYS 39 1.145 25.271 45.739 1.00 0.00 ATOM 287 O LYS 39 5.246 31.900 44.109 1.00 0.00 ATOM 288 C LYS 39 5.636 30.883 43.545 1.00 0.00 ATOM 289 N ASP 40 6.111 30.884 42.306 1.00 0.00 ATOM 290 CA ASP 40 6.203 32.123 41.540 1.00 0.00 ATOM 291 CB ASP 40 4.804 32.670 41.252 1.00 0.00 ATOM 292 O ASP 40 6.688 34.323 42.360 1.00 0.00 ATOM 293 C ASP 40 7.006 33.140 42.348 1.00 0.00 ATOM 294 N GLY 41 8.040 32.665 43.033 1.00 0.00 ATOM 295 CA GLY 41 8.867 33.547 43.838 1.00 0.00 ATOM 296 O GLY 41 8.709 34.944 45.772 1.00 0.00 ATOM 297 C GLY 41 8.201 34.033 45.115 1.00 0.00 ATOM 298 N ILE 42 7.077 33.422 45.485 1.00 0.00 ATOM 299 CA ILE 42 6.361 33.826 46.688 1.00 0.00 ATOM 300 CB ILE 42 4.927 34.274 46.355 1.00 0.00 ATOM 301 CG1 ILE 42 4.974 35.501 45.436 1.00 0.00 ATOM 302 CG2 ILE 42 4.164 34.594 47.639 1.00 0.00 ATOM 303 CD1 ILE 42 3.616 36.019 45.042 1.00 0.00 ATOM 304 O ILE 42 5.657 31.703 47.569 1.00 0.00 ATOM 305 C ILE 42 6.282 32.743 47.762 1.00 0.00 ATOM 306 N PRO 43 6.915 32.985 48.920 1.00 0.00 ATOM 307 CA PRO 43 6.874 31.988 49.994 1.00 0.00 ATOM 308 CB PRO 43 7.762 32.607 51.069 1.00 0.00 ATOM 309 CG PRO 43 8.754 33.407 50.256 1.00 0.00 ATOM 310 CD PRO 43 7.836 34.082 49.261 1.00 0.00 ATOM 311 O PRO 43 4.758 32.744 50.857 1.00 0.00 ATOM 312 C PRO 43 5.434 31.787 50.466 1.00 0.00 ATOM 313 N MET 44 4.967 30.543 50.418 1.00 0.00 ATOM 314 CA MET 44 3.607 30.226 50.831 1.00 0.00 ATOM 315 CB MET 44 3.082 29.046 50.010 1.00 0.00 ATOM 316 CG MET 44 3.142 29.270 48.505 1.00 0.00 ATOM 317 SD MET 44 2.156 30.840 47.937 1.00 0.00 ATOM 318 CE MET 44 0.364 30.114 47.963 1.00 0.00 ATOM 319 O MET 44 3.563 28.733 52.716 1.00 0.00 ATOM 320 C MET 44 3.562 29.897 52.322 1.00 0.00 ATOM 321 N MET 45 3.507 30.940 53.143 1.00 0.00 ATOM 322 CA MET 45 3.484 30.791 54.591 1.00 0.00 ATOM 323 CB MET 45 3.869 32.122 55.238 1.00 0.00 ATOM 324 CG MET 45 5.205 32.658 54.773 1.00 0.00 ATOM 325 SD MET 45 6.675 31.584 55.400 1.00 0.00 ATOM 326 CE MET 45 6.841 30.338 53.999 1.00 0.00 ATOM 327 O MET 45 1.451 31.065 55.845 1.00 0.00 ATOM 328 C MET 45 2.131 30.326 55.133 1.00 0.00 ATOM 329 N LEU 46 1.754 29.098 54.790 1.00 0.00 ATOM 330 CA LEU 46 0.497 28.506 55.228 1.00 0.00 ATOM 331 CB LEU 46 -0.527 28.522 54.093 1.00 0.00 ATOM 332 CG LEU 46 -1.145 29.872 53.732 1.00 0.00 ATOM 333 CD1 LEU 46 -1.938 29.741 52.430 1.00 0.00 ATOM 334 CD2 LEU 46 -2.034 30.343 54.878 1.00 0.00 ATOM 335 O LEU 46 1.371 26.305 54.957 1.00 0.00 ATOM 336 C LEU 46 0.736 27.069 55.665 1.00 0.00 ATOM 337 N GLU 47 0.217 26.704 56.832 1.00 0.00 ATOM 338 CA GLU 47 0.388 25.352 57.347 1.00 0.00 ATOM 339 CB GLU 47 -0.380 25.201 58.662 1.00 0.00 ATOM 340 CG GLU 47 -0.402 23.790 59.219 1.00 0.00 ATOM 341 CD GLU 47 -0.788 23.745 60.688 1.00 0.00 ATOM 342 OE1 GLU 47 -1.719 24.475 61.091 1.00 0.00 ATOM 343 OE2 GLU 47 -0.165 22.963 61.438 1.00 0.00 ATOM 344 O GLU 47 0.604 23.288 56.127 1.00 0.00 ATOM 345 C GLU 47 -0.063 24.302 56.326 1.00 0.00 ATOM 346 N SER 48 -1.182 24.565 55.663 1.00 0.00 ATOM 347 CA SER 48 -1.723 23.652 54.658 1.00 0.00 ATOM 348 CB SER 48 -3.017 24.232 54.090 1.00 0.00 ATOM 349 OG SER 48 -2.764 25.476 53.458 1.00 0.00 ATOM 350 O SER 48 -0.838 22.305 52.871 1.00 0.00 ATOM 351 C SER 48 -0.761 23.361 53.499 1.00 0.00 ATOM 352 N GLU 49 0.134 24.307 53.216 1.00 0.00 ATOM 353 CA GLU 49 1.094 24.176 52.122 1.00 0.00 ATOM 354 CB GLU 49 1.475 25.571 51.603 1.00 0.00 ATOM 355 CG GLU 49 0.329 26.352 50.980 1.00 0.00 ATOM 356 CD GLU 49 0.092 25.983 49.529 1.00 0.00 ATOM 357 OE1 GLU 49 -0.870 26.511 48.929 1.00 0.00 ATOM 358 OE2 GLU 49 0.871 25.172 48.985 1.00 0.00 ATOM 359 O GLU 49 3.088 22.962 51.610 1.00 0.00 ATOM 360 C GLU 49 2.374 23.424 52.488 1.00 0.00 ATOM 361 N ALA 50 2.658 23.306 53.781 1.00 0.00 ATOM 362 CA ALA 50 3.874 22.644 54.246 1.00 0.00 ATOM 363 CB ALA 50 4.114 22.980 55.709 1.00 0.00 ATOM 364 O ALA 50 2.896 20.446 54.163 1.00 0.00 ATOM 365 C ALA 50 3.910 21.133 54.062 1.00 0.00 ATOM 366 N ARG 51 5.104 20.624 53.794 1.00 0.00 ATOM 367 CA ARG 51 5.300 19.192 53.625 1.00 0.00 ATOM 368 CB ARG 51 5.926 18.895 52.264 1.00 0.00 ATOM 369 CG ARG 51 7.307 19.491 52.121 1.00 0.00 ATOM 370 CD ARG 51 8.111 18.860 51.003 1.00 0.00 ATOM 371 NE ARG 51 9.528 19.145 51.201 1.00 0.00 ATOM 372 CZ ARG 51 10.508 18.708 50.421 1.00 0.00 ATOM 373 NH1 ARG 51 10.241 17.955 49.364 1.00 0.00 ATOM 374 NH2 ARG 51 11.762 19.024 50.708 1.00 0.00 ATOM 375 O ARG 51 7.176 19.513 55.073 1.00 0.00 ATOM 376 C ARG 51 6.267 18.763 54.724 1.00 0.00 ATOM 377 N GLU 52 6.068 17.572 55.280 1.00 0.00 ATOM 378 CA GLU 52 6.967 17.071 56.315 1.00 0.00 ATOM 379 CB GLU 52 6.379 15.851 57.003 1.00 0.00 ATOM 380 CG GLU 52 5.115 16.106 57.769 1.00 0.00 ATOM 381 CD GLU 52 4.704 14.899 58.579 1.00 0.00 ATOM 382 OE1 GLU 52 5.545 14.380 59.346 1.00 0.00 ATOM 383 OE2 GLU 52 3.541 14.471 58.448 1.00 0.00 ATOM 384 O GLU 52 8.231 16.169 54.503 1.00 0.00 ATOM 385 C GLU 52 8.264 16.654 55.633 1.00 0.00 ATOM 386 N LEU 53 9.394 16.840 56.316 1.00 0.00 ATOM 387 CA LEU 53 10.699 16.481 55.767 1.00 0.00 ATOM 388 CB LEU 53 11.830 17.193 56.510 1.00 0.00 ATOM 389 CG LEU 53 11.906 18.716 56.541 1.00 0.00 ATOM 390 CD1 LEU 53 13.079 19.070 57.423 1.00 0.00 ATOM 391 CD2 LEU 53 12.007 19.320 55.139 1.00 0.00 ATOM 392 O LEU 53 10.369 14.300 56.736 1.00 0.00 ATOM 393 C LEU 53 10.917 14.978 55.858 1.00 0.00 ATOM 394 N ALA 54 11.660 14.446 54.897 1.00 0.00 ATOM 395 CA ALA 54 11.951 13.030 54.912 1.00 0.00 ATOM 396 CB ALA 54 12.315 12.562 53.522 1.00 0.00 ATOM 397 O ALA 54 13.861 13.963 56.110 1.00 0.00 ATOM 398 C ALA 54 13.176 12.960 55.856 1.00 0.00 ATOM 399 N PRO 55 13.469 11.782 56.404 1.00 0.00 ATOM 400 CA PRO 55 14.633 11.743 57.290 1.00 0.00 ATOM 401 CB PRO 55 14.518 10.394 58.008 1.00 0.00 ATOM 402 CG PRO 55 13.384 9.626 57.299 1.00 0.00 ATOM 403 CD PRO 55 12.955 10.441 56.098 1.00 0.00 ATOM 404 O PRO 55 16.955 12.209 57.074 1.00 0.00 ATOM 405 C PRO 55 15.924 11.868 56.500 1.00 0.00 ATOM 406 N GLU 56 15.854 11.594 55.196 1.00 0.00 ATOM 407 CA GLU 56 17.008 11.695 54.321 1.00 0.00 ATOM 408 CB GLU 56 16.707 11.024 52.981 1.00 0.00 ATOM 409 CG GLU 56 15.431 11.526 52.337 1.00 0.00 ATOM 410 CD GLU 56 14.755 10.485 51.478 1.00 0.00 ATOM 411 OE1 GLU 56 15.124 10.367 50.288 1.00 0.00 ATOM 412 OE2 GLU 56 13.854 9.787 52.001 1.00 0.00 ATOM 413 O GLU 56 18.388 13.536 53.636 1.00 0.00 ATOM 414 C GLU 56 17.311 13.172 54.116 1.00 0.00 ATOM 415 N GLU 57 16.351 14.016 54.485 1.00 0.00 ATOM 416 CA GLU 57 16.508 15.454 54.357 1.00 0.00 ATOM 417 CB GLU 57 15.208 16.103 53.891 1.00 0.00 ATOM 418 CG GLU 57 14.721 15.635 52.543 1.00 0.00 ATOM 419 CD GLU 57 13.489 16.393 52.091 1.00 0.00 ATOM 420 OE1 GLU 57 13.646 17.469 51.469 1.00 0.00 ATOM 421 OE2 GLU 57 12.369 15.916 52.374 1.00 0.00 ATOM 422 O GLU 57 17.538 17.153 55.658 1.00 0.00 ATOM 423 C GLU 57 16.924 16.091 55.674 1.00 0.00 ATOM 424 N GLU 58 16.567 15.482 56.804 1.00 0.00 ATOM 425 CA GLU 58 16.950 16.034 58.097 1.00 0.00 ATOM 426 CB GLU 58 16.271 15.256 59.226 1.00 0.00 ATOM 427 CG GLU 58 15.041 15.947 59.787 1.00 0.00 ATOM 428 CD GLU 58 14.299 15.104 60.799 1.00 0.00 ATOM 429 OE1 GLU 58 13.430 14.309 60.385 1.00 0.00 ATOM 430 OE2 GLU 58 14.592 15.236 62.005 1.00 0.00 ATOM 431 O GLU 58 19.070 16.741 58.979 1.00 0.00 ATOM 432 C GLU 58 18.468 15.962 58.242 1.00 0.00 ATOM 433 N VAL 59 19.086 15.033 57.517 1.00 0.00 ATOM 434 CA VAL 59 20.535 14.858 57.584 1.00 0.00 ATOM 435 CB VAL 59 21.031 13.692 56.666 1.00 0.00 ATOM 436 CG1 VAL 59 20.325 12.405 57.027 1.00 0.00 ATOM 437 CG2 VAL 59 20.802 14.025 55.206 1.00 0.00 ATOM 438 O VAL 59 22.323 16.401 57.952 1.00 0.00 ATOM 439 C VAL 59 21.358 16.105 57.253 1.00 0.00 ATOM 440 N LYS 60 20.986 16.844 56.207 1.00 0.00 ATOM 441 CA LYS 60 21.760 18.029 55.823 1.00 0.00 ATOM 442 CB LYS 60 21.469 18.425 54.372 1.00 0.00 ATOM 443 CG LYS 60 20.078 18.949 54.106 1.00 0.00 ATOM 444 CD LYS 60 19.972 19.400 52.663 1.00 0.00 ATOM 445 CE LYS 60 18.542 19.729 52.286 1.00 0.00 ATOM 446 NZ LYS 60 18.423 20.043 50.835 1.00 0.00 ATOM 447 O LYS 60 22.423 20.184 56.636 1.00 0.00 ATOM 448 C LYS 60 21.614 19.260 56.715 1.00 0.00 ATOM 449 N LEU 61 20.586 19.290 57.552 1.00 0.00 ATOM 450 CA LEU 61 20.405 20.417 58.455 1.00 0.00 ATOM 451 CB LEU 61 18.916 20.686 58.669 1.00 0.00 ATOM 452 CG LEU 61 18.151 20.866 57.351 1.00 0.00 ATOM 453 CD1 LEU 61 16.658 20.906 57.610 1.00 0.00 ATOM 454 CD2 LEU 61 18.616 22.135 56.656 1.00 0.00 ATOM 455 O LEU 61 21.144 20.731 60.722 1.00 0.00 ATOM 456 C LEU 61 21.080 19.981 59.745 1.00 0.00 ATOM 457 N GLU 62 21.591 18.748 59.702 1.00 0.00 ATOM 458 CA GLU 62 22.299 18.089 60.801 1.00 0.00 ATOM 459 CB GLU 62 23.142 19.095 61.584 1.00 0.00 ATOM 460 CG GLU 62 24.478 19.348 60.921 1.00 0.00 ATOM 461 CD GLU 62 25.166 20.586 61.439 1.00 0.00 ATOM 462 OE1 GLU 62 25.457 20.653 62.655 1.00 0.00 ATOM 463 OE2 GLU 62 25.413 21.492 60.616 1.00 0.00 ATOM 464 O GLU 62 20.811 17.894 62.655 1.00 0.00 ATOM 465 C GLU 62 21.416 17.289 61.747 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1665811609.pdb -s /var/tmp/to_scwrl_1665811609.seq -o /var/tmp/from_scwrl_1665811609.pdb > /var/tmp/scwrl_1665811609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1665811609.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 32 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -58.197 # GDT_score(maxd=8.000,maxw=2.900)= -58.810 # GDT_score(maxd=8.000,maxw=3.200)= -57.413 # GDT_score(maxd=8.000,maxw=3.500)= -55.991 # GDT_score(maxd=10.000,maxw=3.800)= -57.868 # GDT_score(maxd=10.000,maxw=4.000)= -56.746 # GDT_score(maxd=10.000,maxw=4.200)= -55.583 # GDT_score(maxd=12.000,maxw=4.300)= -57.982 # GDT_score(maxd=12.000,maxw=4.500)= -56.815 # GDT_score(maxd=12.000,maxw=4.700)= -55.593 # GDT_score(maxd=14.000,maxw=5.200)= -55.076 # GDT_score(maxd=14.000,maxw=5.500)= -53.222 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2040418174.pdb -s /var/tmp/to_scwrl_2040418174.seq -o /var/tmp/from_scwrl_2040418174.pdb > /var/tmp/scwrl_2040418174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040418174.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 41 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -56.148 # GDT_score(maxd=8.000,maxw=2.900)= -58.102 # GDT_score(maxd=8.000,maxw=3.200)= -55.645 # GDT_score(maxd=8.000,maxw=3.500)= -53.081 # GDT_score(maxd=10.000,maxw=3.800)= -55.584 # GDT_score(maxd=10.000,maxw=4.000)= -53.863 # GDT_score(maxd=10.000,maxw=4.200)= -52.152 # GDT_score(maxd=12.000,maxw=4.300)= -55.380 # GDT_score(maxd=12.000,maxw=4.500)= -53.689 # GDT_score(maxd=12.000,maxw=4.700)= -52.048 # GDT_score(maxd=14.000,maxw=5.200)= -51.338 # GDT_score(maxd=14.000,maxw=5.500)= -49.108 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_55321415.pdb -s /var/tmp/to_scwrl_55321415.seq -o /var/tmp/from_scwrl_55321415.pdb > /var/tmp/scwrl_55321415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_55321415.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 51 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -58.607 # GDT_score(maxd=8.000,maxw=2.900)= -58.608 # GDT_score(maxd=8.000,maxw=3.200)= -57.028 # GDT_score(maxd=8.000,maxw=3.500)= -55.242 # GDT_score(maxd=10.000,maxw=3.800)= -57.316 # GDT_score(maxd=10.000,maxw=4.000)= -56.080 # GDT_score(maxd=10.000,maxw=4.200)= -54.821 # GDT_score(maxd=12.000,maxw=4.300)= -57.461 # GDT_score(maxd=12.000,maxw=4.500)= -56.204 # GDT_score(maxd=12.000,maxw=4.700)= -54.865 # GDT_score(maxd=14.000,maxw=5.200)= -54.395 # GDT_score(maxd=14.000,maxw=5.500)= -52.516 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_94328720.pdb -s /var/tmp/to_scwrl_94328720.seq -o /var/tmp/from_scwrl_94328720.pdb > /var/tmp/scwrl_94328720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94328720.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -49.590 # GDT_score(maxd=8.000,maxw=2.900)= -47.161 # GDT_score(maxd=8.000,maxw=3.200)= -44.633 # GDT_score(maxd=8.000,maxw=3.500)= -42.352 # GDT_score(maxd=10.000,maxw=3.800)= -46.447 # GDT_score(maxd=10.000,maxw=4.000)= -44.930 # GDT_score(maxd=10.000,maxw=4.200)= -43.457 # GDT_score(maxd=12.000,maxw=4.300)= -47.963 # GDT_score(maxd=12.000,maxw=4.500)= -46.440 # GDT_score(maxd=12.000,maxw=4.700)= -44.991 # GDT_score(maxd=14.000,maxw=5.200)= -45.546 # GDT_score(maxd=14.000,maxw=5.500)= -43.529 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_528155250.pdb -s /var/tmp/to_scwrl_528155250.seq -o /var/tmp/from_scwrl_528155250.pdb > /var/tmp/scwrl_528155250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528155250.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 T0348.try1-opt2.pdb looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -59.016 # GDT_score(maxd=8.000,maxw=2.900)= -58.736 # GDT_score(maxd=8.000,maxw=3.200)= -57.185 # GDT_score(maxd=8.000,maxw=3.500)= -55.385 # GDT_score(maxd=10.000,maxw=3.800)= -57.511 # GDT_score(maxd=10.000,maxw=4.000)= -56.250 # GDT_score(maxd=10.000,maxw=4.200)= -54.982 # GDT_score(maxd=12.000,maxw=4.300)= -57.674 # GDT_score(maxd=12.000,maxw=4.500)= -56.423 # GDT_score(maxd=12.000,maxw=4.700)= -55.147 # GDT_score(maxd=14.000,maxw=5.200)= -54.682 # GDT_score(maxd=14.000,maxw=5.500)= -52.772 # command:# Prefix for output files set to # command:EXPDTA T0348.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348.try1-opt2.pdb ATOM 1 N MET A 1 3.785 45.328 51.607 1.00 0.00 ATOM 2 CA MET A 1 4.495 45.838 52.780 1.00 0.00 ATOM 3 CB MET A 1 3.651 45.629 54.029 1.00 0.00 ATOM 4 CG MET A 1 4.238 46.234 55.293 1.00 0.00 ATOM 5 SD MET A 1 2.988 46.452 56.587 1.00 0.00 ATOM 6 CE MET A 1 2.796 44.811 57.128 1.00 0.00 ATOM 7 O MET A 1 5.692 43.747 52.766 1.00 0.00 ATOM 8 C MET A 1 5.705 44.941 53.082 1.00 0.00 ATOM 9 N ASP A 2 6.728 45.528 53.716 1.00 0.00 ATOM 10 CA ASP A 2 7.965 44.824 54.024 1.00 0.00 ATOM 11 CB ASP A 2 9.015 45.796 54.563 1.00 0.00 ATOM 12 CG ASP A 2 9.570 46.709 53.488 1.00 0.00 ATOM 13 OD1 ASP A 2 9.335 46.430 52.292 1.00 0.00 ATOM 14 OD2 ASP A 2 10.240 47.703 53.839 1.00 0.00 ATOM 15 O ASP A 2 8.586 42.745 55.055 1.00 0.00 ATOM 16 C ASP A 2 7.765 43.660 54.994 1.00 0.00 ATOM 17 N ALA A 3 6.612 43.737 55.771 1.00 0.00 ATOM 18 CA ALA A 3 6.375 42.722 56.794 1.00 0.00 ATOM 19 CB ALA A 3 5.375 43.256 57.808 1.00 0.00 ATOM 20 O ALA A 3 6.030 40.340 56.796 1.00 0.00 ATOM 21 C ALA A 3 5.870 41.405 56.198 1.00 0.00 ATOM 22 N LYS A 4 5.240 41.481 55.040 1.00 0.00 ATOM 23 CA LYS A 4 4.718 40.277 54.417 1.00 0.00 ATOM 24 CB LYS A 4 4.025 40.630 53.099 1.00 0.00 ATOM 25 CG LYS A 4 3.364 39.448 52.410 1.00 0.00 ATOM 26 CD LYS A 4 2.618 39.883 51.160 1.00 0.00 ATOM 27 CE LYS A 4 1.977 38.697 50.457 1.00 0.00 ATOM 28 NZ LYS A 4 1.261 39.107 49.218 1.00 0.00 ATOM 29 O LYS A 4 5.630 38.073 54.400 1.00 0.00 ATOM 30 C LYS A 4 5.811 39.263 54.145 1.00 0.00 ATOM 31 N PHE A 5 6.987 39.725 53.698 1.00 0.00 ATOM 32 CA PHE A 5 8.149 38.875 53.577 1.00 0.00 ATOM 33 CB PHE A 5 9.343 39.653 53.022 1.00 0.00 ATOM 34 CG PHE A 5 10.571 38.815 52.812 1.00 0.00 ATOM 35 CD1 PHE A 5 10.687 37.996 51.703 1.00 0.00 ATOM 36 CD2 PHE A 5 11.611 38.844 53.725 1.00 0.00 ATOM 37 CE1 PHE A 5 11.816 37.224 51.510 1.00 0.00 ATOM 38 CE2 PHE A 5 12.741 38.071 53.533 1.00 0.00 ATOM 39 CZ PHE A 5 12.845 37.264 52.431 1.00 0.00 ATOM 40 O PHE A 5 8.889 37.088 54.976 1.00 0.00 ATOM 41 C PHE A 5 8.561 38.255 54.904 1.00 0.00 ATOM 42 N LEU A 6 8.603 39.087 55.928 1.00 0.00 ATOM 43 CA LEU A 6 8.976 38.559 57.231 1.00 0.00 ATOM 44 CB LEU A 6 8.942 39.665 58.288 1.00 0.00 ATOM 45 CG LEU A 6 10.019 40.747 58.173 1.00 0.00 ATOM 46 CD1 LEU A 6 9.761 41.870 59.165 1.00 0.00 ATOM 47 CD2 LEU A 6 11.395 40.166 58.459 1.00 0.00 ATOM 48 O LEU A 6 8.433 36.478 58.283 1.00 0.00 ATOM 49 C LEU A 6 8.018 37.472 57.677 1.00 0.00 ATOM 50 N GLU A 7 6.742 37.664 57.372 1.00 0.00 ATOM 51 CA GLU A 7 5.738 36.675 57.756 1.00 0.00 ATOM 52 CB GLU A 7 4.338 37.106 57.315 1.00 0.00 ATOM 53 CG GLU A 7 3.794 38.311 58.065 1.00 0.00 ATOM 54 CD GLU A 7 2.461 38.784 57.519 1.00 0.00 ATOM 55 OE1 GLU A 7 1.999 38.216 56.507 1.00 0.00 ATOM 56 OE2 GLU A 7 1.880 39.722 58.103 1.00 0.00 ATOM 57 O GLU A 7 5.934 34.289 57.772 1.00 0.00 ATOM 58 C GLU A 7 6.036 35.324 57.119 1.00 0.00 ATOM 59 N ILE A 8 6.392 35.337 55.835 1.00 0.00 ATOM 60 CA ILE A 8 6.694 34.090 55.148 1.00 0.00 ATOM 61 CB ILE A 8 6.834 34.360 53.610 1.00 0.00 ATOM 62 CG1 ILE A 8 5.472 34.728 53.021 1.00 0.00 ATOM 63 CG2 ILE A 8 7.420 33.132 52.907 1.00 0.00 ATOM 64 CD1 ILE A 8 5.539 35.226 51.597 1.00 0.00 ATOM 65 O ILE A 8 8.012 32.254 55.936 1.00 0.00 ATOM 66 C ILE A 8 7.969 33.460 55.712 1.00 0.00 ATOM 67 N LEU A 9 9.000 34.271 55.949 1.00 0.00 ATOM 68 CA LEU A 9 10.249 33.739 56.479 1.00 0.00 ATOM 69 CB LEU A 9 11.276 34.859 56.655 1.00 0.00 ATOM 70 CG LEU A 9 12.648 34.441 57.189 1.00 0.00 ATOM 71 CD1 LEU A 9 13.320 33.463 56.239 1.00 0.00 ATOM 72 CD2 LEU A 9 13.554 35.652 57.345 1.00 0.00 ATOM 73 O LEU A 9 10.526 31.986 58.092 1.00 0.00 ATOM 74 C LEU A 9 10.008 33.065 57.834 1.00 0.00 ATOM 75 N VAL A 10 9.195 33.689 58.672 1.00 0.00 ATOM 76 CA VAL A 10 8.911 33.117 59.980 1.00 0.00 ATOM 77 CB VAL A 10 8.368 34.181 60.952 1.00 0.00 ATOM 78 CG1 VAL A 10 8.004 33.547 62.286 1.00 0.00 ATOM 79 CG2 VAL A 10 9.413 35.259 61.201 1.00 0.00 ATOM 80 O VAL A 10 6.812 32.224 59.258 1.00 0.00 ATOM 81 C VAL A 10 7.866 32.005 59.829 1.00 0.00 ATOM 82 N CYS A 11 8.205 30.812 60.319 1.00 0.00 ATOM 83 CA CYS A 11 7.298 29.673 60.171 1.00 0.00 ATOM 84 CB CYS A 11 8.029 28.362 60.475 1.00 0.00 ATOM 85 SG CYS A 11 6.953 26.926 60.389 1.00 0.00 ATOM 86 O CYS A 11 6.200 30.058 62.263 1.00 0.00 ATOM 87 C CYS A 11 6.080 29.859 61.058 1.00 0.00 ATOM 88 N PRO A 12 4.888 29.712 60.513 1.00 0.00 ATOM 89 CA PRO A 12 3.684 29.876 61.265 1.00 0.00 ATOM 90 CB PRO A 12 2.525 29.683 60.286 1.00 0.00 ATOM 91 CG PRO A 12 3.132 30.006 58.938 1.00 0.00 ATOM 92 CD PRO A 12 4.627 29.765 59.047 1.00 0.00 ATOM 93 O PRO A 12 3.250 29.599 63.554 1.00 0.00 ATOM 94 C PRO A 12 3.541 29.048 62.490 1.00 0.00 ATOM 95 N LEU A 13 3.724 27.718 62.319 1.00 0.00 ATOM 96 CA LEU A 13 3.603 26.757 63.403 1.00 0.00 ATOM 97 CB LEU A 13 3.700 25.329 62.899 1.00 0.00 ATOM 98 CG LEU A 13 2.429 24.811 62.220 1.00 0.00 ATOM 99 CD1 LEU A 13 2.717 23.484 61.534 1.00 0.00 ATOM 100 CD2 LEU A 13 1.319 24.652 63.252 1.00 0.00 ATOM 101 O LEU A 13 4.455 26.908 65.647 1.00 0.00 ATOM 102 C LEU A 13 4.713 26.926 64.444 1.00 0.00 ATOM 103 N CYS A 14 5.961 27.099 63.964 1.00 0.00 ATOM 104 CA CYS A 14 7.113 27.263 64.865 1.00 0.00 ATOM 105 CB CYS A 14 8.439 27.245 64.080 1.00 0.00 ATOM 106 SG CYS A 14 8.681 25.563 63.382 1.00 0.00 ATOM 107 O CYS A 14 7.337 28.524 66.872 1.00 0.00 ATOM 108 C CYS A 14 6.952 28.514 65.689 1.00 0.00 ATOM 109 N LYS A 15 6.577 30.170 64.936 1.00 0.00 ATOM 110 CA LYS A 15 7.418 31.328 64.752 1.00 0.00 ATOM 111 CB LYS A 15 7.322 32.260 65.961 1.00 0.00 ATOM 112 CG LYS A 15 5.945 32.868 66.169 1.00 0.00 ATOM 113 CD LYS A 15 5.930 33.807 67.365 1.00 0.00 ATOM 114 CE LYS A 15 4.547 34.394 67.587 1.00 0.00 ATOM 115 NZ LYS A 15 4.539 35.391 68.694 1.00 0.00 ATOM 116 O LYS A 15 9.555 32.183 64.317 1.00 0.00 ATOM 117 C LYS A 15 8.901 31.183 64.508 1.00 0.00 ATOM 118 N GLY A 16 9.403 29.960 64.547 1.00 0.00 ATOM 119 CA GLY A 16 10.861 29.841 64.300 1.00 0.00 ATOM 120 O GLY A 16 10.464 30.097 61.943 1.00 0.00 ATOM 121 C GLY A 16 11.213 30.360 62.908 1.00 0.00 ATOM 122 N PRO A 17 12.403 31.079 62.803 1.00 0.00 ATOM 123 CA PRO A 17 12.668 31.638 61.460 1.00 0.00 ATOM 124 CB PRO A 17 13.778 32.665 61.686 1.00 0.00 ATOM 125 CG PRO A 17 14.417 32.203 62.975 1.00 0.00 ATOM 126 CD PRO A 17 13.229 31.802 63.817 1.00 0.00 ATOM 127 O PRO A 17 13.966 29.711 60.840 1.00 0.00 ATOM 128 C PRO A 17 13.082 30.508 60.521 1.00 0.00 ATOM 129 N LEU A 18 12.432 30.449 59.365 1.00 0.00 ATOM 130 CA LEU A 18 12.710 29.424 58.372 1.00 0.00 ATOM 131 CB LEU A 18 11.485 29.219 57.479 1.00 0.00 ATOM 132 CG LEU A 18 10.180 28.858 58.192 1.00 0.00 ATOM 133 CD1 LEU A 18 9.033 28.763 57.197 1.00 0.00 ATOM 134 CD2 LEU A 18 10.307 27.519 58.900 1.00 0.00 ATOM 135 O LEU A 18 14.265 31.061 57.506 1.00 0.00 ATOM 136 C LEU A 18 13.915 29.859 57.525 1.00 0.00 ATOM 137 N VAL A 19 14.556 28.887 56.883 1.00 0.00 ATOM 138 CA VAL A 19 15.706 29.191 56.031 1.00 0.00 ATOM 139 CB VAL A 19 16.833 28.281 56.476 1.00 0.00 ATOM 140 CG1 VAL A 19 18.058 28.413 55.583 1.00 0.00 ATOM 141 CG2 VAL A 19 17.185 28.541 57.931 1.00 0.00 ATOM 142 O VAL A 19 14.693 27.772 54.373 1.00 0.00 ATOM 143 C VAL A 19 15.362 28.782 54.612 1.00 0.00 ATOM 144 N PHE A 20 15.843 29.547 53.645 1.00 0.00 ATOM 145 CA PHE A 20 15.571 29.244 52.242 1.00 0.00 ATOM 146 CB PHE A 20 15.733 30.502 51.386 1.00 0.00 ATOM 147 CG PHE A 20 15.418 30.290 49.932 1.00 0.00 ATOM 148 CD1 PHE A 20 14.108 30.191 49.501 1.00 0.00 ATOM 149 CD2 PHE A 20 16.433 30.190 48.997 1.00 0.00 ATOM 150 CE1 PHE A 20 13.817 29.996 48.163 1.00 0.00 ATOM 151 CE2 PHE A 20 16.143 29.995 47.659 1.00 0.00 ATOM 152 CZ PHE A 20 14.842 29.899 47.240 1.00 0.00 ATOM 153 O PHE A 20 17.782 28.358 51.884 1.00 0.00 ATOM 154 C PHE A 20 16.545 28.194 51.723 1.00 0.00 ATOM 155 N ASP A 21 16.011 27.129 51.165 1.00 0.00 ATOM 156 CA ASP A 21 16.846 26.073 50.560 1.00 0.00 ATOM 157 CB ASP A 21 16.269 24.697 50.898 1.00 0.00 ATOM 158 CG ASP A 21 17.113 23.562 50.352 1.00 0.00 ATOM 159 OD1 ASP A 21 18.101 23.843 49.642 1.00 0.00 ATOM 160 OD2 ASP A 21 16.788 22.390 50.636 1.00 0.00 ATOM 161 O ASP A 21 15.801 26.187 48.437 1.00 0.00 ATOM 162 C ASP A 21 16.831 26.334 49.071 1.00 0.00 ATOM 163 N LYS A 22 17.977 26.738 48.537 1.00 0.00 ATOM 164 CA LYS A 22 18.088 27.041 47.080 1.00 0.00 ATOM 165 CB LYS A 22 19.476 27.596 46.751 1.00 0.00 ATOM 166 CG LYS A 22 19.718 29.007 47.264 1.00 0.00 ATOM 167 CD LYS A 22 21.114 29.492 46.910 1.00 0.00 ATOM 168 CE LYS A 22 21.358 30.899 47.428 1.00 0.00 ATOM 169 NZ LYS A 22 22.733 31.377 47.116 1.00 0.00 ATOM 170 O LYS A 22 17.267 26.004 45.109 1.00 0.00 ATOM 171 C LYS A 22 17.848 25.871 46.187 1.00 0.00 ATOM 172 N SER A 23 18.310 24.673 46.617 1.00 0.00 ATOM 173 CA SER A 23 18.140 23.463 45.835 1.00 0.00 ATOM 174 CB SER A 23 18.892 22.274 46.450 1.00 0.00 ATOM 175 OG SER A 23 18.557 21.067 45.786 1.00 0.00 ATOM 176 O SER A 23 16.267 22.876 44.450 1.00 0.00 ATOM 177 C SER A 23 16.673 23.138 45.586 1.00 0.00 ATOM 178 N LYS A 24 15.875 23.183 46.584 1.00 0.00 ATOM 179 CA LYS A 24 14.456 22.870 46.490 1.00 0.00 ATOM 180 CB LYS A 24 14.018 22.107 47.741 1.00 0.00 ATOM 181 CG LYS A 24 14.759 20.799 47.962 1.00 0.00 ATOM 182 CD LYS A 24 14.248 20.077 49.200 1.00 0.00 ATOM 183 CE LYS A 24 15.007 18.780 49.434 1.00 0.00 ATOM 184 NZ LYS A 24 14.544 18.081 50.665 1.00 0.00 ATOM 185 O LYS A 24 12.314 23.881 46.125 1.00 0.00 ATOM 186 C LYS A 24 13.511 24.059 46.346 1.00 0.00 ATOM 187 N ASP A 25 13.979 25.313 46.493 1.00 0.00 ATOM 188 CA ASP A 25 13.169 26.525 46.410 1.00 0.00 ATOM 189 CB ASP A 25 12.597 26.664 44.997 1.00 0.00 ATOM 190 CG ASP A 25 13.672 26.888 43.953 1.00 0.00 ATOM 191 OD1 ASP A 25 14.510 27.795 44.145 1.00 0.00 ATOM 192 OD2 ASP A 25 13.679 26.155 42.941 1.00 0.00 ATOM 193 O ASP A 25 10.887 26.515 47.178 1.00 0.00 ATOM 194 C ASP A 25 12.077 26.379 47.469 1.00 0.00 ATOM 195 N GLU A 26 12.474 26.161 48.654 1.00 0.00 ATOM 196 CA GLU A 26 11.527 25.985 49.750 1.00 0.00 ATOM 197 CB GLU A 26 11.313 24.515 50.117 1.00 0.00 ATOM 198 CG GLU A 26 10.660 23.690 49.020 1.00 0.00 ATOM 199 CD GLU A 26 10.443 22.246 49.429 1.00 0.00 ATOM 200 OE1 GLU A 26 10.762 21.902 50.586 1.00 0.00 ATOM 201 OE2 GLU A 26 9.955 21.459 48.591 1.00 0.00 ATOM 202 O GLU A 26 13.250 27.156 51.007 1.00 0.00 ATOM 203 C GLU A 26 12.075 26.715 50.952 1.00 0.00 ATOM 204 N LEU A 27 11.209 26.909 51.963 1.00 0.00 ATOM 205 CA LEU A 27 11.645 27.520 53.226 1.00 0.00 ATOM 206 CB LEU A 27 10.798 28.748 53.548 1.00 0.00 ATOM 207 CG LEU A 27 11.046 29.973 52.663 1.00 0.00 ATOM 208 CD1 LEU A 27 9.974 31.020 52.890 1.00 0.00 ATOM 209 CD2 LEU A 27 12.403 30.581 53.002 1.00 0.00 ATOM 210 O LEU A 27 10.276 25.961 54.446 1.00 0.00 ATOM 211 C LEU A 27 11.414 26.472 54.296 1.00 0.00 ATOM 212 N ILE A 28 12.473 26.131 55.018 1.00 0.00 ATOM 213 CA ILE A 28 12.460 25.047 56.022 1.00 0.00 ATOM 214 CB ILE A 28 13.683 24.132 55.833 1.00 0.00 ATOM 215 CG1 ILE A 28 13.659 23.490 54.443 1.00 0.00 ATOM 216 CG2 ILE A 28 13.688 23.025 56.875 1.00 0.00 ATOM 217 CD1 ILE A 28 14.939 22.769 54.082 1.00 0.00 ATOM 218 O ILE A 28 13.286 26.490 57.759 1.00 0.00 ATOM 219 C ILE A 28 12.532 25.564 57.452 1.00 0.00 ATOM 220 N CYS A 29 11.716 24.972 58.318 1.00 0.00 ATOM 221 CA CYS A 29 11.687 25.340 59.723 1.00 0.00 ATOM 222 CB CYS A 29 10.236 25.469 60.144 1.00 0.00 ATOM 223 SG CYS A 29 10.023 25.762 61.883 1.00 0.00 ATOM 224 O CYS A 29 11.895 23.153 60.660 1.00 0.00 ATOM 225 C CYS A 29 12.361 24.275 60.562 1.00 0.00 ATOM 226 N LYS A 30 13.428 24.655 61.241 1.00 0.00 ATOM 227 CA LYS A 30 14.171 23.718 62.081 1.00 0.00 ATOM 228 CB LYS A 30 15.518 24.325 62.480 1.00 0.00 ATOM 229 CG LYS A 30 16.459 24.571 61.312 1.00 0.00 ATOM 230 CD LYS A 30 17.771 25.180 61.779 1.00 0.00 ATOM 231 CE LYS A 30 18.714 25.419 60.611 1.00 0.00 ATOM 232 NZ LYS A 30 19.990 26.051 61.048 1.00 0.00 ATOM 233 O LYS A 30 13.962 22.265 63.996 1.00 0.00 ATOM 234 C LYS A 30 13.502 23.242 63.380 1.00 0.00 ATOM 235 N GLY A 31 12.454 24.049 63.812 1.00 0.00 ATOM 236 CA GLY A 31 11.847 23.718 65.113 1.00 0.00 ATOM 237 O GLY A 31 11.342 21.571 65.909 1.00 0.00 ATOM 238 C GLY A 31 11.034 22.461 65.126 1.00 0.00 ATOM 239 N ASP A 32 10.021 22.358 64.274 1.00 0.00 ATOM 240 CA ASP A 32 9.213 21.152 64.190 1.00 0.00 ATOM 241 CB ASP A 32 7.851 21.329 64.810 1.00 0.00 ATOM 242 CG ASP A 32 6.949 22.315 64.102 1.00 0.00 ATOM 243 OD1 ASP A 32 7.445 23.091 63.271 1.00 0.00 ATOM 244 OD2 ASP A 32 5.750 22.357 64.459 1.00 0.00 ATOM 245 O ASP A 32 8.146 19.930 62.443 1.00 0.00 ATOM 246 C ASP A 32 9.076 20.650 62.784 1.00 0.00 ATOM 247 N ARG A 33 10.036 21.070 61.956 1.00 0.00 ATOM 248 CA ARG A 33 10.205 20.514 60.601 1.00 0.00 ATOM 249 CB ARG A 33 10.214 18.984 60.647 1.00 0.00 ATOM 250 CG ARG A 33 11.279 18.397 61.555 1.00 0.00 ATOM 251 CD ARG A 33 11.351 16.884 61.418 1.00 0.00 ATOM 252 NE ARG A 33 10.045 16.256 61.607 1.00 0.00 ATOM 253 CZ ARG A 33 9.542 15.921 62.791 1.00 0.00 ATOM 254 NH1 ARG A 33 8.345 15.353 62.867 1.00 0.00 ATOM 255 NH2 ARG A 33 10.236 16.153 63.897 1.00 0.00 ATOM 256 O ARG A 33 9.156 20.090 58.475 1.00 0.00 ATOM 257 C ARG A 33 9.229 20.800 59.466 1.00 0.00 ATOM 258 N LEU A 34 8.482 21.872 59.624 1.00 0.00 ATOM 259 CA LEU A 34 7.577 22.271 58.555 1.00 0.00 ATOM 260 CB LEU A 34 6.673 23.408 59.035 1.00 0.00 ATOM 261 CG LEU A 34 5.583 23.912 58.090 1.00 0.00 ATOM 262 CD1 LEU A 34 4.714 22.751 57.624 1.00 0.00 ATOM 263 CD2 LEU A 34 4.742 24.952 58.815 1.00 0.00 ATOM 264 O LEU A 34 9.471 23.391 57.589 1.00 0.00 ATOM 265 C LEU A 34 8.408 22.785 57.390 1.00 0.00 ATOM 266 N ALA A 35 7.884 22.595 56.193 1.00 0.00 ATOM 267 CA ALA A 35 8.579 23.114 55.002 1.00 0.00 ATOM 268 CB ALA A 35 9.324 22.004 54.274 1.00 0.00 ATOM 269 O ALA A 35 6.449 23.115 53.839 1.00 0.00 ATOM 270 C ALA A 35 7.511 23.728 54.067 1.00 0.00 ATOM 271 N PHE A 36 7.815 24.921 53.542 1.00 0.00 ATOM 272 CA PHE A 36 6.905 25.638 52.638 1.00 0.00 ATOM 273 CB PHE A 36 6.686 27.088 53.087 1.00 0.00 ATOM 274 CG PHE A 36 5.935 27.223 54.384 1.00 0.00 ATOM 275 CD1 PHE A 36 6.559 26.966 55.604 1.00 0.00 ATOM 276 CD2 PHE A 36 4.588 27.611 54.385 1.00 0.00 ATOM 277 CE1 PHE A 36 5.855 27.090 56.812 1.00 0.00 ATOM 278 CE2 PHE A 36 3.877 27.735 55.578 1.00 0.00 ATOM 279 CZ PHE A 36 4.506 27.476 56.794 1.00 0.00 ATOM 280 O PHE A 36 8.553 26.330 51.042 1.00 0.00 ATOM 281 C PHE A 36 7.497 25.722 51.239 1.00 0.00 ATOM 282 N PRO A 37 6.909 25.040 50.261 1.00 0.00 ATOM 283 CA PRO A 37 7.406 25.079 48.879 1.00 0.00 ATOM 284 CB PRO A 37 6.576 24.017 48.156 1.00 0.00 ATOM 285 CG PRO A 37 6.084 23.121 49.244 1.00 0.00 ATOM 286 CD PRO A 37 5.857 24.005 50.439 1.00 0.00 ATOM 287 O PRO A 37 6.069 27.052 48.602 1.00 0.00 ATOM 288 C PRO A 37 7.150 26.506 48.374 1.00 0.00 ATOM 289 N ILE A 38 8.121 27.109 47.693 1.00 0.00 ATOM 290 CA ILE A 38 7.942 28.474 47.198 1.00 0.00 ATOM 291 CB ILE A 38 8.678 29.492 48.103 1.00 0.00 ATOM 292 CG1 ILE A 38 8.077 29.439 49.510 1.00 0.00 ATOM 293 CG2 ILE A 38 8.581 30.901 47.514 1.00 0.00 ATOM 294 CD1 ILE A 38 8.729 30.348 50.520 1.00 0.00 ATOM 295 O ILE A 38 9.593 28.248 45.464 1.00 0.00 ATOM 296 C ILE A 38 8.510 28.722 45.812 1.00 0.00 ATOM 297 N LYS A 39 7.750 29.491 45.064 1.00 0.00 ATOM 298 CA LYS A 39 8.185 29.852 43.723 1.00 0.00 ATOM 299 CB LYS A 39 7.131 29.425 42.700 1.00 0.00 ATOM 300 CG LYS A 39 6.978 27.919 42.558 1.00 0.00 ATOM 301 CD LYS A 39 5.926 27.565 41.520 1.00 0.00 ATOM 302 CE LYS A 39 5.739 26.062 41.411 1.00 0.00 ATOM 303 NZ LYS A 39 4.695 25.701 40.413 1.00 0.00 ATOM 304 O LYS A 39 7.400 32.105 43.892 1.00 0.00 ATOM 305 C LYS A 39 8.349 31.357 43.652 1.00 0.00 ATOM 306 N ASP A 40 9.588 31.845 43.246 1.00 0.00 ATOM 307 CA ASP A 40 9.880 33.294 43.128 1.00 0.00 ATOM 308 CB ASP A 40 9.066 33.922 41.996 1.00 0.00 ATOM 309 CG ASP A 40 9.428 33.358 40.637 1.00 0.00 ATOM 310 OD1 ASP A 40 10.635 33.294 40.321 1.00 0.00 ATOM 311 OD2 ASP A 40 8.503 32.978 39.886 1.00 0.00 ATOM 312 O ASP A 40 9.048 35.155 44.477 1.00 0.00 ATOM 313 C ASP A 40 9.543 34.003 44.464 1.00 0.00 ATOM 314 N GLY A 41 9.765 33.281 45.545 1.00 0.00 ATOM 315 CA GLY A 41 9.570 33.864 46.849 1.00 0.00 ATOM 316 O GLY A 41 7.952 34.386 48.453 1.00 0.00 ATOM 317 C GLY A 41 8.183 33.862 47.359 1.00 0.00 ATOM 318 N ILE A 42 7.243 33.338 46.571 1.00 0.00 ATOM 319 CA ILE A 42 5.837 33.313 46.980 1.00 0.00 ATOM 320 CB ILE A 42 4.898 33.515 45.777 1.00 0.00 ATOM 321 CG1 ILE A 42 5.150 34.878 45.127 1.00 0.00 ATOM 322 CG2 ILE A 42 3.445 33.452 46.220 1.00 0.00 ATOM 323 CD1 ILE A 42 4.444 35.059 43.800 1.00 0.00 ATOM 324 O ILE A 42 5.848 30.926 46.943 1.00 0.00 ATOM 325 C ILE A 42 5.575 31.935 47.577 1.00 0.00 ATOM 326 N PRO A 43 5.087 31.909 48.800 1.00 0.00 ATOM 327 CA PRO A 43 4.859 30.636 49.494 1.00 0.00 ATOM 328 CB PRO A 43 4.410 31.056 50.882 1.00 0.00 ATOM 329 CG PRO A 43 5.049 32.321 51.100 1.00 0.00 ATOM 330 CD PRO A 43 4.953 33.035 49.754 1.00 0.00 ATOM 331 O PRO A 43 2.653 30.277 48.620 1.00 0.00 ATOM 332 C PRO A 43 3.763 29.800 48.838 1.00 0.00 ATOM 333 N MET A 44 4.017 28.468 48.770 1.00 0.00 ATOM 334 CA MET A 44 3.015 27.539 48.283 1.00 0.00 ATOM 335 CB MET A 44 3.447 26.153 48.245 1.00 0.00 ATOM 336 CG MET A 44 4.335 25.876 47.033 1.00 0.00 ATOM 337 SD MET A 44 3.582 26.333 45.440 1.00 0.00 ATOM 338 CE MET A 44 4.555 27.780 45.088 1.00 0.00 ATOM 339 O MET A 44 0.685 27.530 48.943 1.00 0.00 ATOM 340 C MET A 44 1.870 27.449 49.302 1.00 0.00 ATOM 341 N MET A 45 2.210 27.249 50.573 1.00 0.00 ATOM 342 CA MET A 45 1.171 27.125 51.595 1.00 0.00 ATOM 343 CB MET A 45 1.798 26.845 52.963 1.00 0.00 ATOM 344 CG MET A 45 2.408 25.459 53.095 1.00 0.00 ATOM 345 SD MET A 45 1.194 24.141 52.883 1.00 0.00 ATOM 346 CE MET A 45 0.208 24.349 54.364 1.00 0.00 ATOM 347 O MET A 45 -0.861 28.365 51.937 1.00 0.00 ATOM 348 C MET A 45 0.353 28.413 51.727 1.00 0.00 ATOM 349 N LEU A 46 1.001 29.640 51.616 1.00 0.00 ATOM 350 CA LEU A 46 0.261 30.877 51.683 1.00 0.00 ATOM 351 CB LEU A 46 1.197 32.080 51.551 1.00 0.00 ATOM 352 CG LEU A 46 0.539 33.460 51.594 1.00 0.00 ATOM 353 CD1 LEU A 46 -0.165 33.679 52.925 1.00 0.00 ATOM 354 CD2 LEU A 46 1.578 34.557 51.420 1.00 0.00 ATOM 355 O LEU A 46 -1.922 31.227 50.771 1.00 0.00 ATOM 356 C LEU A 46 -0.767 30.888 50.544 1.00 0.00 ATOM 357 N GLU A 47 -0.386 30.433 49.344 1.00 0.00 ATOM 358 CA GLU A 47 -1.340 30.389 48.234 1.00 0.00 ATOM 359 CB GLU A 47 -0.630 29.989 46.939 1.00 0.00 ATOM 360 CG GLU A 47 0.334 31.038 46.410 1.00 0.00 ATOM 361 CD GLU A 47 1.107 30.561 45.196 1.00 0.00 ATOM 362 OE1 GLU A 47 0.941 29.384 44.813 1.00 0.00 ATOM 363 OE2 GLU A 47 1.879 31.364 44.630 1.00 0.00 ATOM 364 O GLU A 47 -3.633 29.650 48.205 1.00 0.00 ATOM 365 C GLU A 47 -2.459 29.389 48.503 1.00 0.00 ATOM 366 N SER A 48 -2.112 28.211 49.079 1.00 0.00 ATOM 367 CA SER A 48 -3.129 27.213 49.390 1.00 0.00 ATOM 368 CB SER A 48 -2.476 25.929 49.904 1.00 0.00 ATOM 369 OG SER A 48 -1.705 25.306 48.890 1.00 0.00 ATOM 370 O SER A 48 -5.313 27.703 50.268 1.00 0.00 ATOM 371 C SER A 48 -4.091 27.769 50.444 1.00 0.00 ATOM 372 N GLU A 49 -3.553 28.382 51.494 1.00 0.00 ATOM 373 CA GLU A 49 -4.402 28.964 52.535 1.00 0.00 ATOM 374 CB GLU A 49 -3.614 29.511 53.726 1.00 0.00 ATOM 375 CG GLU A 49 -4.439 29.970 54.936 1.00 0.00 ATOM 376 CD GLU A 49 -5.342 28.958 55.599 1.00 0.00 ATOM 377 OE1 GLU A 49 -4.968 27.767 55.683 1.00 0.00 ATOM 378 OE2 GLU A 49 -6.335 29.410 56.144 1.00 0.00 ATOM 379 O GLU A 49 -6.440 30.217 52.324 1.00 0.00 ATOM 380 C GLU A 49 -5.269 30.078 51.960 1.00 0.00 ATOM 381 N ALA A 50 -4.699 30.853 51.042 1.00 0.00 ATOM 382 CA ALA A 50 -5.429 31.953 50.422 1.00 0.00 ATOM 383 CB ALA A 50 -4.449 32.846 49.623 1.00 0.00 ATOM 384 O ALA A 50 -7.672 32.076 49.596 1.00 0.00 ATOM 385 C ALA A 50 -6.612 31.456 49.594 1.00 0.00 ATOM 386 N ARG A 51 -6.459 30.301 48.920 1.00 0.00 ATOM 387 CA ARG A 51 -7.545 29.750 48.114 1.00 0.00 ATOM 388 CB ARG A 51 -7.132 28.441 47.462 1.00 0.00 ATOM 389 CG ARG A 51 -6.119 28.558 46.397 1.00 0.00 ATOM 390 CD ARG A 51 -6.598 29.277 45.138 1.00 0.00 ATOM 391 NE ARG A 51 -5.508 29.255 44.171 1.00 0.00 ATOM 392 CZ ARG A 51 -5.509 29.931 43.029 1.00 0.00 ATOM 393 NH1 ARG A 51 -6.561 30.590 42.681 1.00 0.00 ATOM 394 NH2 ARG A 51 -4.458 29.933 42.221 1.00 0.00 ATOM 395 O ARG A 51 -9.910 29.704 48.540 1.00 0.00 ATOM 396 C ARG A 51 -8.779 29.485 48.972 1.00 0.00 ATOM 397 N GLU A 52 -8.575 28.967 50.186 1.00 0.00 ATOM 398 CA GLU A 52 -9.648 28.676 51.098 1.00 0.00 ATOM 399 CB GLU A 52 -9.227 27.610 52.112 1.00 0.00 ATOM 400 CG GLU A 52 -8.985 26.237 51.505 1.00 0.00 ATOM 401 CD GLU A 52 -8.550 25.214 52.535 1.00 0.00 ATOM 402 OE1 GLU A 52 -8.483 25.566 53.731 1.00 0.00 ATOM 403 OE2 GLU A 52 -8.274 24.059 52.145 1.00 0.00 ATOM 404 O GLU A 52 -11.092 29.822 52.602 1.00 0.00 ATOM 405 C GLU A 52 -10.088 29.892 51.908 1.00 0.00 ATOM 406 N LEU A 53 -9.289 30.966 51.837 1.00 0.00 ATOM 407 CA LEU A 53 -9.684 32.142 52.600 1.00 0.00 ATOM 408 CB LEU A 53 -8.512 33.119 52.705 1.00 0.00 ATOM 409 CG LEU A 53 -7.319 32.660 53.546 1.00 0.00 ATOM 410 CD1 LEU A 53 -6.183 33.669 53.466 1.00 0.00 ATOM 411 CD2 LEU A 53 -7.718 32.508 55.005 1.00 0.00 ATOM 412 O LEU A 53 -10.908 32.749 50.658 1.00 0.00 ATOM 413 C LEU A 53 -10.812 32.847 51.870 1.00 0.00 ATOM 414 N ALA A 54 -11.650 33.574 52.585 1.00 0.00 ATOM 415 CA ALA A 54 -12.646 34.386 51.889 1.00 0.00 ATOM 416 CB ALA A 54 -13.518 35.128 52.890 1.00 0.00 ATOM 417 O ALA A 54 -10.788 35.843 51.322 1.00 0.00 ATOM 418 C ALA A 54 -11.903 35.390 51.001 1.00 0.00 ATOM 419 N PRO A 55 -12.542 35.741 49.870 1.00 0.00 ATOM 420 CA PRO A 55 -11.980 36.678 48.923 1.00 0.00 ATOM 421 CB PRO A 55 -13.133 36.931 47.945 1.00 0.00 ATOM 422 CG PRO A 55 -13.772 35.575 47.885 1.00 0.00 ATOM 423 CD PRO A 55 -13.792 35.114 49.349 1.00 0.00 ATOM 424 O PRO A 55 -10.672 38.655 49.097 1.00 0.00 ATOM 425 C PRO A 55 -11.613 38.007 49.554 1.00 0.00 ATOM 426 N GLU A 56 -12.338 38.457 50.579 1.00 0.00 ATOM 427 CA GLU A 56 -11.981 39.718 51.219 1.00 0.00 ATOM 428 CB GLU A 56 -12.968 40.039 52.344 1.00 0.00 ATOM 429 CG GLU A 56 -14.354 40.431 51.859 1.00 0.00 ATOM 430 CD GLU A 56 -15.337 40.622 52.998 1.00 0.00 ATOM 431 OE1 GLU A 56 -14.953 40.375 54.160 1.00 0.00 ATOM 432 OE2 GLU A 56 -16.490 41.019 52.728 1.00 0.00 ATOM 433 O GLU A 56 -9.779 40.558 51.673 1.00 0.00 ATOM 434 C GLU A 56 -10.581 39.629 51.816 1.00 0.00 ATOM 435 N GLU A 57 -10.244 38.439 52.308 1.00 0.00 ATOM 436 CA GLU A 57 -8.929 38.225 52.905 1.00 0.00 ATOM 437 CB GLU A 57 -8.892 36.957 53.759 1.00 0.00 ATOM 438 CG GLU A 57 -9.748 37.036 55.017 1.00 0.00 ATOM 439 CD GLU A 57 -9.375 38.223 55.883 1.00 0.00 ATOM 440 OE1 GLU A 57 -8.171 38.347 56.209 1.00 0.00 ATOM 441 OE2 GLU A 57 -10.275 39.034 56.218 1.00 0.00 ATOM 442 O GLU A 57 -6.777 38.756 52.015 1.00 0.00 ATOM 443 C GLU A 57 -7.857 38.198 51.827 1.00 0.00 ATOM 444 N GLU A 58 -8.168 37.561 50.709 1.00 0.00 ATOM 445 CA GLU A 58 -7.248 37.480 49.584 1.00 0.00 ATOM 446 CB GLU A 58 -7.851 36.637 48.459 1.00 0.00 ATOM 447 CG GLU A 58 -7.962 35.156 48.782 1.00 0.00 ATOM 448 CD GLU A 58 -8.648 34.369 47.682 1.00 0.00 ATOM 449 OE1 GLU A 58 -9.091 34.991 46.694 1.00 0.00 ATOM 450 OE2 GLU A 58 -8.741 33.130 47.808 1.00 0.00 ATOM 451 O GLU A 58 -5.859 39.137 48.532 1.00 0.00 ATOM 452 C GLU A 58 -6.943 38.874 49.023 1.00 0.00 ATOM 453 N VAL A 59 -7.951 39.764 49.081 1.00 0.00 ATOM 454 CA VAL A 59 -7.719 41.151 48.607 1.00 0.00 ATOM 455 CB VAL A 59 -9.056 41.915 48.626 1.00 0.00 ATOM 456 CG1 VAL A 59 -8.843 43.390 48.358 1.00 0.00 ATOM 457 CG2 VAL A 59 -9.953 41.279 47.563 1.00 0.00 ATOM 458 O VAL A 59 -5.770 42.512 48.876 1.00 0.00 ATOM 459 C VAL A 59 -6.633 41.827 49.445 1.00 0.00 ATOM 460 N LYS A 60 -6.640 41.604 50.755 1.00 0.00 ATOM 461 CA LYS A 60 -5.639 42.194 51.629 1.00 0.00 ATOM 462 CB LYS A 60 -5.962 41.958 53.095 1.00 0.00 ATOM 463 CG LYS A 60 -7.152 42.649 53.684 1.00 0.00 ATOM 464 CD LYS A 60 -7.225 44.137 53.388 1.00 0.00 ATOM 465 CE LYS A 60 -8.489 44.696 54.042 1.00 0.00 ATOM 466 NZ LYS A 60 -8.535 46.171 53.745 1.00 0.00 ATOM 467 O LYS A 60 -3.262 42.301 51.348 1.00 0.00 ATOM 468 C LYS A 60 -4.266 41.599 51.340 1.00 0.00 ATOM 469 N LEU A 61 -4.220 40.298 51.148 1.00 0.00 ATOM 470 CA LEU A 61 -2.949 39.651 50.867 1.00 0.00 ATOM 471 CB LEU A 61 -3.170 38.148 50.679 1.00 0.00 ATOM 472 CG LEU A 61 -3.497 37.350 51.942 1.00 0.00 ATOM 473 CD1 LEU A 61 -3.854 35.913 51.593 1.00 0.00 ATOM 474 CD2 LEU A 61 -2.306 37.326 52.888 1.00 0.00 ATOM 475 O LEU A 61 -1.228 40.588 49.489 1.00 0.00 ATOM 476 C LEU A 61 -2.402 40.253 49.575 1.00 0.00 ATOM 477 N GLU A 62 -3.253 40.424 48.569 1.00 0.00 ATOM 478 CA GLU A 62 -2.853 40.971 47.307 1.00 0.00 ATOM 479 CB GLU A 62 -4.011 40.918 46.309 1.00 0.00 ATOM 480 CG GLU A 62 -4.376 39.515 45.853 1.00 0.00 ATOM 481 CD GLU A 62 -5.604 39.491 44.965 1.00 0.00 ATOM 482 OE1 GLU A 62 -6.212 40.564 44.764 1.00 0.00 ATOM 483 OE2 GLU A 62 -5.956 38.401 44.469 1.00 0.00 ATOM 484 O GLU A 62 -1.447 42.851 46.803 1.00 0.00 ATOM 485 C GLU A 62 -2.411 42.425 47.439 1.00 0.00 ATOM 486 N HIS A 63 -3.119 43.180 48.271 1.00 0.00 ATOM 487 CA HIS A 63 -2.775 44.579 48.509 1.00 0.00 ATOM 488 CB HIS A 63 -3.722 45.195 49.541 1.00 0.00 ATOM 489 CG HIS A 63 -3.399 46.616 49.883 1.00 0.00 ATOM 490 CD2 HIS A 63 -2.802 47.301 51.020 1.00 0.00 ATOM 491 ND1 HIS A 63 -3.664 47.666 49.030 1.00 0.00 ATOM 492 CE1 HIS A 63 -3.265 48.813 49.610 1.00 0.00 ATOM 493 NE2 HIS A 63 -2.747 48.601 50.804 1.00 0.00 ATOM 494 O HIS A 63 -0.519 45.397 48.568 1.00 0.00 ATOM 495 C HIS A 63 -1.350 44.602 49.044 1.00 0.00 ATOM 496 N HIS A 64 -1.074 43.727 50.009 1.00 0.00 ATOM 497 CA HIS A 64 0.245 43.743 50.660 1.00 0.00 ATOM 498 CB HIS A 64 0.237 42.870 51.919 1.00 0.00 ATOM 499 CG HIS A 64 -0.557 43.448 53.048 1.00 0.00 ATOM 500 CD2 HIS A 64 -1.762 43.067 53.771 1.00 0.00 ATOM 501 ND1 HIS A 64 -0.211 44.623 53.679 1.00 0.00 ATOM 502 CE1 HIS A 64 -1.107 44.882 54.646 1.00 0.00 ATOM 503 NE2 HIS A 64 -2.041 43.953 54.708 1.00 0.00 ATOM 504 O HIS A 64 2.481 43.688 49.739 1.00 0.00 ATOM 505 C HIS A 64 1.329 43.227 49.699 1.00 0.00 ATOM 506 N HIS A 65 0.954 42.317 48.816 1.00 0.00 ATOM 507 CA HIS A 65 1.881 41.845 47.785 1.00 0.00 ATOM 508 CB HIS A 65 1.298 40.925 46.810 1.00 0.00 ATOM 509 CG HIS A 65 2.297 40.344 45.859 1.00 0.00 ATOM 510 CD2 HIS A 65 2.354 40.352 44.505 1.00 0.00 ATOM 511 ND1 HIS A 65 3.406 39.644 46.283 1.00 0.00 ATOM 512 CE1 HIS A 65 4.103 39.245 45.233 1.00 0.00 ATOM 513 NE2 HIS A 65 3.485 39.662 44.141 1.00 0.00 ATOM 514 O HIS A 65 3.607 43.167 46.707 1.00 0.00 ATOM 515 C HIS A 65 2.390 43.011 46.911 1.00 0.00 ATOM 516 N HIS A 66 1.477 43.871 46.491 1.00 0.00 ATOM 517 CA HIS A 66 1.836 45.028 45.677 1.00 0.00 ATOM 518 CB HIS A 66 0.580 45.747 45.183 1.00 0.00 ATOM 519 CG HIS A 66 0.866 46.931 44.309 1.00 0.00 ATOM 520 CD2 HIS A 66 0.735 48.374 44.442 1.00 0.00 ATOM 521 ND1 HIS A 66 1.381 46.809 43.039 1.00 0.00 ATOM 522 CE1 HIS A 66 1.528 48.036 42.507 1.00 0.00 ATOM 523 NE2 HIS A 66 1.141 48.979 43.343 1.00 0.00 ATOM 524 O HIS A 66 3.700 46.565 46.010 1.00 0.00 ATOM 525 C HIS A 66 2.704 46.039 46.491 1.00 0.00 ATOM 526 N HIS A 67 2.329 46.293 47.716 1.00 0.00 ATOM 527 CA HIS A 67 3.042 47.233 48.590 1.00 0.00 ATOM 528 CB HIS A 67 2.307 47.394 49.923 1.00 0.00 ATOM 529 CG HIS A 67 2.852 48.489 50.785 1.00 0.00 ATOM 530 CD2 HIS A 67 3.774 49.600 50.594 1.00 0.00 ATOM 531 ND1 HIS A 67 2.507 48.635 52.112 1.00 0.00 ATOM 532 CE1 HIS A 67 3.152 49.700 52.617 1.00 0.00 ATOM 533 NE2 HIS A 67 3.915 50.284 51.713 1.00 0.00 ATOM 534 O HIS A 67 5.415 47.532 48.830 1.00 0.00 ATOM 535 C HIS A 67 4.454 46.753 48.871 1.00 0.00 ATOM 536 N HIS A 68 4.609 45.454 49.089 1.00 0.00 ATOM 537 CA HIS A 68 5.923 44.890 49.389 1.00 0.00 ATOM 538 CB HIS A 68 5.802 43.404 49.735 1.00 0.00 ATOM 539 CG HIS A 68 7.099 42.764 50.117 1.00 0.00 ATOM 540 CD2 HIS A 68 8.008 41.810 49.498 1.00 0.00 ATOM 541 ND1 HIS A 68 7.734 43.025 51.311 1.00 0.00 ATOM 542 CE1 HIS A 68 8.870 42.307 51.370 1.00 0.00 ATOM 543 NE2 HIS A 68 9.041 41.576 50.286 1.00 0.00 ATOM 544 O HIS A 68 8.054 45.339 48.355 1.00 0.00 ATOM 545 C HIS A 68 6.870 45.023 48.196 1.00 0.00 ENDMDL EXPDTA 2hf1A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hf1A ATOM 1 N ASP 2 -0.180 52.346 48.091 1.00 0.00 ATOM 2 CA ASP 2 -0.766 51.284 47.223 1.00 0.00 ATOM 3 CB ASP 2 -0.006 51.214 45.903 1.00 0.00 ATOM 4 O ASP 2 0.107 49.703 48.810 1.00 0.00 ATOM 5 C ASP 2 -0.720 49.927 47.924 1.00 0.00 ATOM 6 N ALA 3 -1.614 49.028 47.524 1.00 0.00 ATOM 7 CA ALA 3 -1.672 47.698 48.109 1.00 0.00 ATOM 8 CB ALA 3 -2.979 47.017 47.737 1.00 0.00 ATOM 9 O ALA 3 -0.280 46.796 46.385 1.00 0.00 ATOM 10 C ALA 3 -0.499 46.885 47.593 1.00 0.00 ATOM 11 N LYS 4 0.259 46.297 48.508 1.00 0.00 ATOM 12 CA LYS 4 1.403 45.490 48.117 1.00 0.00 ATOM 13 CB LYS 4 2.686 46.318 48.194 1.00 0.00 ATOM 14 CG LYS 4 2.916 47.013 49.521 1.00 0.00 ATOM 15 CD LYS 4 3.884 48.168 49.337 1.00 0.00 ATOM 16 CE LYS 4 3.315 49.198 48.359 1.00 0.00 ATOM 17 NZ LYS 4 4.295 50.261 47.991 1.00 0.00 ATOM 18 O LYS 4 0.861 44.102 49.998 1.00 0.00 ATOM 19 C LYS 4 1.524 44.237 48.967 1.00 0.00 ATOM 20 N PHE 5 2.374 43.323 48.516 1.00 0.00 ATOM 21 CA PHE 5 2.583 42.062 49.206 1.00 0.00 ATOM 22 CB PHE 5 2.696 40.933 48.179 1.00 0.00 ATOM 23 CG PHE 5 2.637 39.557 48.777 1.00 0.00 ATOM 24 CD1 PHE 5 3.746 39.005 49.406 1.00 0.00 ATOM 25 CD2 PHE 5 1.460 38.817 48.721 1.00 0.00 ATOM 26 CE1 PHE 5 3.686 37.733 49.971 1.00 0.00 ATOM 27 CE2 PHE 5 1.385 37.544 49.281 1.00 0.00 ATOM 28 CZ PHE 5 2.501 36.999 49.909 1.00 0.00 ATOM 29 O PHE 5 4.950 42.069 49.658 1.00 0.00 ATOM 30 C PHE 5 3.808 42.075 50.119 1.00 0.00 ATOM 31 N LEU 6 3.546 42.102 51.422 1.00 0.00 ATOM 32 CA LEU 6 4.589 42.088 52.438 1.00 0.00 ATOM 33 CB LEU 6 4.689 43.444 53.147 1.00 0.00 ATOM 34 CG LEU 6 5.171 44.701 52.403 1.00 0.00 ATOM 35 CD1 LEU 6 4.976 45.913 53.313 1.00 0.00 ATOM 36 CD2 LEU 6 6.637 44.561 52.002 1.00 0.00 ATOM 37 O LEU 6 3.144 41.053 54.060 1.00 0.00 ATOM 38 C LEU 6 4.227 41.016 53.468 1.00 0.00 ATOM 39 N GLU 7 5.118 40.050 53.670 1.00 0.00 ATOM 40 CA GLU 7 4.858 39.005 54.657 1.00 0.00 ATOM 41 CB GLU 7 4.279 37.749 53.994 1.00 0.00 ATOM 42 CG GLU 7 5.103 37.183 52.863 1.00 0.00 ATOM 43 CD GLU 7 4.662 35.780 52.467 1.00 0.00 ATOM 44 OE1 GLU 7 3.504 35.404 52.756 1.00 0.00 ATOM 45 OE2 GLU 7 5.472 35.057 51.854 1.00 0.00 ATOM 46 O GLU 7 7.186 38.470 54.885 1.00 0.00 ATOM 47 C GLU 7 6.109 38.647 55.450 1.00 0.00 ATOM 48 N ILE 8 5.965 38.564 56.770 1.00 0.00 ATOM 49 CA ILE 8 7.091 38.213 57.628 1.00 0.00 ATOM 50 CB ILE 8 6.746 38.424 59.117 1.00 0.00 ATOM 51 CG1 ILE 8 7.968 38.116 59.983 1.00 0.00 ATOM 52 CG2 ILE 8 5.564 37.553 59.512 1.00 0.00 ATOM 53 CD1 ILE 8 7.790 38.487 61.441 1.00 0.00 ATOM 54 O ILE 8 6.574 35.903 57.222 1.00 0.00 ATOM 55 C ILE 8 7.449 36.748 57.367 1.00 0.00 ATOM 56 N LEU 9 8.740 36.451 57.292 1.00 0.00 ATOM 57 CA LEU 9 9.174 35.092 57.011 1.00 0.00 ATOM 58 CB LEU 9 10.376 35.102 56.061 1.00 0.00 ATOM 59 CG LEU 9 10.136 35.740 54.690 1.00 0.00 ATOM 60 CD1 LEU 9 11.346 35.507 53.790 1.00 0.00 ATOM 61 CD2 LEU 9 8.889 35.138 54.064 1.00 0.00 ATOM 62 O LEU 9 10.685 34.135 58.580 1.00 0.00 ATOM 63 C LEU 9 9.517 34.289 58.249 1.00 0.00 ATOM 64 N VAL 10 8.481 33.812 58.936 1.00 0.00 ATOM 65 CA VAL 10 8.636 32.976 60.113 1.00 0.00 ATOM 66 CB VAL 10 8.272 33.709 61.437 1.00 0.00 ATOM 67 CG1 VAL 10 9.349 34.715 61.782 1.00 0.00 ATOM 68 CG2 VAL 10 6.925 34.392 61.317 1.00 0.00 ATOM 69 O VAL 10 6.725 31.890 59.154 1.00 0.00 ATOM 70 C VAL 10 7.695 31.798 59.914 1.00 0.00 ATOM 71 N CYS 11 7.990 30.687 60.573 1.00 0.00 ATOM 72 CA CYS 11 7.153 29.508 60.446 1.00 0.00 ATOM 73 CB CYS 11 7.723 28.359 61.275 1.00 0.00 ATOM 74 SG CYS 11 6.616 26.950 61.291 1.00 0.00 ATOM 75 O CYS 11 5.573 30.377 62.016 1.00 0.00 ATOM 76 C CYS 11 5.746 29.836 60.930 1.00 0.00 ATOM 77 N PRO 12 4.721 29.510 60.131 1.00 0.00 ATOM 78 CA PRO 12 3.340 29.797 60.528 1.00 0.00 ATOM 79 CB PRO 12 2.533 29.332 59.318 1.00 0.00 ATOM 80 CG PRO 12 3.345 28.219 58.787 1.00 0.00 ATOM 81 CD PRO 12 4.753 28.773 58.859 1.00 0.00 ATOM 82 O PRO 12 1.859 29.433 62.382 1.00 0.00 ATOM 83 C PRO 12 2.905 29.106 61.824 1.00 0.00 ATOM 84 N LEU 13 3.710 28.162 62.305 1.00 0.00 ATOM 85 CA LEU 13 3.387 27.443 63.533 1.00 0.00 ATOM 86 CB LEU 13 3.667 25.947 63.361 1.00 0.00 ATOM 87 CG LEU 13 2.658 25.144 62.538 1.00 0.00 ATOM 88 CD1 LEU 13 3.116 23.696 62.425 1.00 0.00 ATOM 89 CD2 LEU 13 1.297 25.212 63.206 1.00 0.00 ATOM 90 O LEU 13 3.486 28.494 65.690 1.00 0.00 ATOM 91 C LEU 13 4.110 27.941 64.783 1.00 0.00 ATOM 92 N CYS 14 5.423 27.736 64.832 1.00 0.00 ATOM 93 CA CYS 14 6.227 28.133 65.984 1.00 0.00 ATOM 94 CB CYS 14 7.433 27.201 66.115 1.00 0.00 ATOM 95 SG CYS 14 8.664 27.399 64.788 1.00 0.00 ATOM 96 O CYS 14 7.301 30.067 66.901 1.00 0.00 ATOM 97 C CYS 14 6.726 29.573 65.930 1.00 0.00 ATOM 98 N LYS 15 6.513 30.239 64.799 1.00 0.00 ATOM 99 CA LYS 15 6.968 31.616 64.611 1.00 0.00 ATOM 100 CB LYS 15 6.371 32.536 65.682 1.00 0.00 ATOM 101 CG LYS 15 4.981 33.036 65.349 1.00 0.00 ATOM 102 CD LYS 15 4.007 31.885 65.194 1.00 0.00 ATOM 103 CE LYS 15 2.673 32.360 64.641 1.00 0.00 ATOM 104 NZ LYS 15 2.012 33.396 65.488 1.00 0.00 ATOM 105 O LYS 15 9.031 32.820 64.859 1.00 0.00 ATOM 106 C LYS 15 8.490 31.739 64.623 1.00 0.00 ATOM 107 N GLY 16 9.178 30.632 64.360 1.00 0.00 ATOM 108 CA GLY 16 10.632 30.656 64.332 1.00 0.00 ATOM 109 O GLY 16 10.388 30.979 61.981 1.00 0.00 ATOM 110 C GLY 16 11.157 30.980 62.944 1.00 0.00 ATOM 111 N PRO 17 12.463 31.262 62.803 1.00 0.00 ATOM 112 CA PRO 17 13.064 31.585 61.504 1.00 0.00 ATOM 113 CB PRO 17 14.467 32.050 61.884 1.00 0.00 ATOM 114 CG PRO 17 14.766 31.216 63.094 1.00 0.00 ATOM 115 CD PRO 17 13.479 31.299 63.871 1.00 0.00 ATOM 116 O PRO 17 13.028 29.238 60.983 1.00 0.00 ATOM 117 C PRO 17 13.086 30.388 60.554 1.00 0.00 ATOM 118 N LEU 18 13.173 30.673 59.261 1.00 0.00 ATOM 119 CA LEU 18 13.193 29.631 58.243 1.00 0.00 ATOM 120 CB LEU 18 12.080 29.888 57.228 1.00 0.00 ATOM 121 CG LEU 18 10.695 29.936 57.866 1.00 0.00 ATOM 122 CD1 LEU 18 9.687 30.560 56.929 1.00 0.00 ATOM 123 CD2 LEU 18 10.295 28.521 58.256 1.00 0.00 ATOM 124 O LEU 18 15.219 30.595 57.390 1.00 0.00 ATOM 125 C LEU 18 14.532 29.578 57.530 1.00 0.00 ATOM 126 N VAL 19 14.904 28.383 57.084 1.00 0.00 ATOM 127 CA VAL 19 16.158 28.195 56.363 1.00 0.00 ATOM 128 CB VAL 19 16.877 26.907 56.814 1.00 0.00 ATOM 129 CG1 VAL 19 18.174 26.735 56.036 1.00 0.00 ATOM 130 CG2 VAL 19 17.162 26.971 58.300 1.00 0.00 ATOM 131 O VAL 19 15.015 27.280 54.462 1.00 0.00 ATOM 132 C VAL 19 15.843 28.095 54.872 1.00 0.00 ATOM 133 N PHE 20 16.497 28.925 54.066 1.00 0.00 ATOM 134 CA PHE 20 16.248 28.919 52.632 1.00 0.00 ATOM 135 CB PHE 20 16.621 30.276 52.016 1.00 0.00 ATOM 136 CG PHE 20 16.533 30.315 50.513 1.00 0.00 ATOM 137 CD1 PHE 20 17.675 30.524 49.743 1.00 0.00 ATOM 138 CD2 PHE 20 15.313 30.134 49.864 1.00 0.00 ATOM 139 CE1 PHE 20 17.605 30.563 48.343 1.00 0.00 ATOM 140 CE2 PHE 20 15.230 30.171 48.463 1.00 0.00 ATOM 141 CZ PHE 20 16.383 30.382 47.706 1.00 0.00 ATOM 142 O PHE 20 18.245 27.720 52.105 1.00 0.00 ATOM 143 C PHE 20 17.029 27.811 51.955 1.00 0.00 ATOM 144 N ASP 21 16.310 26.960 51.230 1.00 0.00 ATOM 145 CA ASP 21 16.923 25.861 50.491 1.00 0.00 ATOM 146 CB ASP 21 16.152 24.557 50.705 1.00 0.00 ATOM 147 CG ASP 21 16.861 23.354 50.090 1.00 0.00 ATOM 148 OD1 ASP 21 17.509 23.519 49.037 1.00 0.00 ATOM 149 OD2 ASP 21 16.762 22.246 50.652 1.00 0.00 ATOM 150 O ASP 21 15.827 26.195 48.385 1.00 0.00 ATOM 151 C ASP 21 16.881 26.240 49.017 1.00 0.00 ATOM 152 N LYS 22 18.033 26.619 48.479 1.00 0.00 ATOM 153 CA LYS 22 18.146 27.029 47.083 1.00 0.00 ATOM 154 CB LYS 22 19.578 27.502 46.817 1.00 0.00 ATOM 155 CG LYS 22 19.873 27.970 45.395 1.00 0.00 ATOM 156 CD LYS 22 21.366 28.276 45.262 1.00 0.00 ATOM 157 CE LYS 22 21.738 28.841 43.896 1.00 0.00 ATOM 158 NZ LYS 22 23.191 29.186 43.839 1.00 0.00 ATOM 159 O LYS 22 17.048 26.184 45.116 1.00 0.00 ATOM 160 C LYS 22 17.767 25.930 46.086 1.00 0.00 ATOM 161 N SER 23 18.243 24.715 46.331 1.00 0.00 ATOM 162 CA SER 23 17.981 23.589 45.438 1.00 0.00 ATOM 163 CB SER 23 18.815 22.381 45.869 1.00 0.00 ATOM 164 OG SER 23 18.432 21.933 47.154 1.00 0.00 ATOM 165 O SER 23 16.081 22.767 44.233 1.00 0.00 ATOM 166 C SER 23 16.514 23.175 45.307 1.00 0.00 ATOM 167 N LYS 24 15.749 23.265 46.389 1.00 0.00 ATOM 168 CA LYS 24 14.337 22.890 46.335 1.00 0.00 ATOM 169 CB LYS 24 13.988 21.960 47.500 1.00 0.00 ATOM 170 CG LYS 24 14.502 20.545 47.344 1.00 0.00 ATOM 171 CD LYS 24 14.258 19.732 48.606 1.00 0.00 ATOM 172 CE LYS 24 14.671 18.281 48.417 1.00 0.00 ATOM 173 NZ LYS 24 13.866 17.631 47.346 1.00 0.00 ATOM 174 O LYS 24 12.199 23.966 46.379 1.00 0.00 ATOM 175 C LYS 24 13.423 24.106 46.380 1.00 0.00 ATOM 176 N ASP 25 14.031 25.290 46.392 1.00 0.00 ATOM 177 CA ASP 25 13.311 26.557 46.484 1.00 0.00 ATOM 178 CB ASP 25 12.746 26.995 45.121 1.00 0.00 ATOM 179 CG ASP 25 11.758 26.007 44.542 1.00 0.00 ATOM 180 OD1 ASP 25 12.198 24.947 44.050 1.00 0.00 ATOM 181 OD2 ASP 25 10.539 26.293 44.579 1.00 0.00 ATOM 182 O ASP 25 11.013 26.547 47.225 1.00 0.00 ATOM 183 C ASP 25 12.199 26.434 47.525 1.00 0.00 ATOM 184 N GLU 26 12.613 26.177 48.759 1.00 0.00 ATOM 185 CA GLU 26 11.689 26.030 49.877 1.00 0.00 ATOM 186 CB GLU 26 11.494 24.552 50.227 1.00 0.00 ATOM 187 CG GLU 26 10.866 23.709 49.134 1.00 0.00 ATOM 188 CD GLU 26 10.642 22.273 49.571 1.00 0.00 ATOM 189 OE1 GLU 26 11.586 21.664 50.122 1.00 0.00 ATOM 190 OE2 GLU 26 9.527 21.751 49.358 1.00 0.00 ATOM 191 O GLU 26 13.436 27.043 51.165 1.00 0.00 ATOM 192 C GLU 26 12.244 26.743 51.100 1.00 0.00 ATOM 193 N LEU 27 11.367 27.023 52.054 1.00 0.00 ATOM 194 CA LEU 27 11.766 27.657 53.309 1.00 0.00 ATOM 195 CB LEU 27 10.957 28.934 53.551 1.00 0.00 ATOM 196 CG LEU 27 11.230 30.062 52.555 1.00 0.00 ATOM 197 CD1 LEU 27 10.395 31.283 52.924 1.00 0.00 ATOM 198 CD2 LEU 27 12.717 30.410 52.563 1.00 0.00 ATOM 199 O LEU 27 10.317 26.202 54.548 1.00 0.00 ATOM 200 C LEU 27 11.466 26.603 54.367 1.00 0.00 ATOM 201 N ILE 28 12.514 26.156 55.051 1.00 0.00 ATOM 202 CA ILE 28 12.415 25.096 56.041 1.00 0.00 ATOM 203 CB ILE 28 13.608 24.115 55.880 1.00 0.00 ATOM 204 CG1 ILE 28 13.649 23.582 54.446 1.00 0.00 ATOM 205 CG2 ILE 28 13.495 22.945 56.878 1.00 0.00 ATOM 206 CD1 ILE 28 14.855 22.693 54.149 1.00 0.00 ATOM 207 O ILE 28 13.106 26.417 57.926 1.00 0.00 ATOM 208 C ILE 28 12.370 25.528 57.501 1.00 0.00 ATOM 209 N CYS 29 11.489 24.897 58.269 1.00 0.00 ATOM 210 CA CYS 29 11.442 25.177 59.693 1.00 0.00 ATOM 211 CB CYS 29 10.022 25.299 60.228 1.00 0.00 ATOM 212 SG CYS 29 10.035 25.321 62.054 1.00 0.00 ATOM 213 O CYS 29 11.540 22.874 60.334 1.00 0.00 ATOM 214 C CYS 29 12.102 23.967 60.333 1.00 0.00 ATOM 215 N LYS 30 13.300 24.173 60.863 1.00 0.00 ATOM 216 CA LYS 30 14.058 23.104 61.491 1.00 0.00 ATOM 217 CB LYS 30 15.414 23.654 61.954 1.00 0.00 ATOM 218 CG LYS 30 16.318 22.667 62.674 1.00 0.00 ATOM 219 CD LYS 30 16.795 21.555 61.758 1.00 0.00 ATOM 220 CE LYS 30 17.815 20.665 62.461 1.00 0.00 ATOM 221 NZ LYS 30 19.043 21.413 62.855 1.00 0.00 ATOM 222 O LYS 30 13.103 21.267 62.705 1.00 0.00 ATOM 223 C LYS 30 13.300 22.481 62.661 1.00 0.00 ATOM 224 N GLY 31 12.865 23.321 63.595 1.00 0.00 ATOM 225 CA GLY 31 12.148 22.848 64.768 1.00 0.00 ATOM 226 O GLY 31 10.508 21.216 65.371 1.00 0.00 ATOM 227 C GLY 31 10.881 22.043 64.535 1.00 0.00 ATOM 228 N ASP 32 10.211 22.274 63.410 1.00 0.00 ATOM 229 CA ASP 32 8.982 21.550 63.101 1.00 0.00 ATOM 230 CB ASP 32 7.877 22.537 62.723 1.00 0.00 ATOM 231 CG ASP 32 7.201 23.148 63.938 1.00 0.00 ATOM 232 OD1 ASP 32 6.759 24.310 63.851 1.00 0.00 ATOM 233 OD2 ASP 32 7.094 22.462 64.976 1.00 0.00 ATOM 234 O ASP 32 8.257 19.762 61.683 1.00 0.00 ATOM 235 C ASP 32 9.168 20.529 61.985 1.00 0.00 ATOM 236 N ARG 33 10.350 20.525 61.378 1.00 0.00 ATOM 237 CA ARG 33 10.655 19.596 60.300 1.00 0.00 ATOM 238 CB ARG 33 10.706 18.169 60.841 1.00 0.00 ATOM 239 O ARG 33 9.055 18.703 58.740 1.00 0.00 ATOM 240 C ARG 33 9.619 19.704 59.189 1.00 0.00 ATOM 241 N LEU 34 9.380 20.935 58.754 1.00 0.00 ATOM 242 CA LEU 34 8.427 21.221 57.696 1.00 0.00 ATOM 243 CB LEU 34 7.206 21.951 58.264 1.00 0.00 ATOM 244 CG LEU 34 6.303 21.226 59.265 1.00 0.00 ATOM 245 CD1 LEU 34 5.215 22.177 59.730 1.00 0.00 ATOM 246 CD2 LEU 34 5.684 19.986 58.617 1.00 0.00 ATOM 247 O LEU 34 9.939 22.943 56.973 1.00 0.00 ATOM 248 C LEU 34 9.090 22.107 56.645 1.00 0.00 ATOM 249 N ALA 35 8.701 21.918 55.388 1.00 0.00 ATOM 250 CA ALA 35 9.234 22.719 54.290 1.00 0.00 ATOM 251 CB ALA 35 9.961 21.832 53.278 1.00 0.00 ATOM 252 O ALA 35 7.122 22.795 53.155 1.00 0.00 ATOM 253 C ALA 35 8.074 23.433 53.608 1.00 0.00 ATOM 254 N PHE 36 8.146 24.757 53.548 1.00 0.00 ATOM 255 CA PHE 36 7.103 25.536 52.902 1.00 0.00 ATOM 256 CB PHE 36 6.819 26.816 53.695 1.00 0.00 ATOM 257 CG PHE 36 6.297 26.548 55.068 1.00 0.00 ATOM 258 CD1 PHE 36 7.163 26.166 56.087 1.00 0.00 ATOM 259 CD2 PHE 36 4.930 26.589 55.328 1.00 0.00 ATOM 260 CE1 PHE 36 6.677 25.822 57.340 1.00 0.00 ATOM 261 CE2 PHE 36 4.435 26.245 56.579 1.00 0.00 ATOM 262 CZ PHE 36 5.309 25.859 57.587 1.00 0.00 ATOM 263 O PHE 36 8.728 26.149 51.262 1.00 0.00 ATOM 264 C PHE 36 7.562 25.856 51.493 1.00 0.00 ATOM 265 N PRO 37 6.642 25.796 50.527 1.00 0.00 ATOM 266 CA PRO 37 7.019 26.081 49.147 1.00 0.00 ATOM 267 CB PRO 37 5.957 25.338 48.353 1.00 0.00 ATOM 268 CG PRO 37 4.726 25.566 49.196 1.00 0.00 ATOM 269 CD PRO 37 5.237 25.354 50.620 1.00 0.00 ATOM 270 O PRO 37 6.427 28.392 49.422 1.00 0.00 ATOM 271 C PRO 37 7.066 27.554 48.787 1.00 0.00 ATOM 272 N ILE 38 7.839 27.849 47.755 1.00 0.00 ATOM 273 CA ILE 38 7.962 29.191 47.223 1.00 0.00 ATOM 274 CB ILE 38 9.436 29.639 47.164 1.00 0.00 ATOM 275 CG1 ILE 38 10.028 29.656 48.584 1.00 0.00 ATOM 276 CG2 ILE 38 9.535 31.031 46.514 1.00 0.00 ATOM 277 CD1 ILE 38 11.535 29.894 48.624 1.00 0.00 ATOM 278 O ILE 38 7.968 28.315 44.990 1.00 0.00 ATOM 279 C ILE 38 7.397 29.027 45.817 1.00 0.00 ATOM 280 N LYS 39 6.250 29.645 45.564 1.00 0.00 ATOM 281 CA LYS 39 5.603 29.541 44.261 1.00 0.00 ATOM 282 CB LYS 39 4.158 29.069 44.436 1.00 0.00 ATOM 283 CG LYS 39 4.045 27.696 45.094 1.00 0.00 ATOM 284 CD LYS 39 2.611 27.195 45.115 1.00 0.00 ATOM 285 CE LYS 39 2.525 25.824 45.771 1.00 0.00 ATOM 286 NZ LYS 39 1.145 25.271 45.739 1.00 0.00 ATOM 287 O LYS 39 5.246 31.900 44.109 1.00 0.00 ATOM 288 C LYS 39 5.636 30.883 43.545 1.00 0.00 ATOM 289 N ASP 40 6.111 30.884 42.306 1.00 0.00 ATOM 290 CA ASP 40 6.203 32.123 41.540 1.00 0.00 ATOM 291 CB ASP 40 4.804 32.670 41.252 1.00 0.00 ATOM 292 O ASP 40 6.688 34.323 42.360 1.00 0.00 ATOM 293 C ASP 40 7.006 33.140 42.348 1.00 0.00 ATOM 294 N GLY 41 8.040 32.665 43.033 1.00 0.00 ATOM 295 CA GLY 41 8.867 33.547 43.838 1.00 0.00 ATOM 296 O GLY 41 8.709 34.944 45.772 1.00 0.00 ATOM 297 C GLY 41 8.201 34.033 45.115 1.00 0.00 ATOM 298 N ILE 42 7.077 33.422 45.485 1.00 0.00 ATOM 299 CA ILE 42 6.361 33.826 46.688 1.00 0.00 ATOM 300 CB ILE 42 4.927 34.274 46.355 1.00 0.00 ATOM 301 CG1 ILE 42 4.974 35.501 45.436 1.00 0.00 ATOM 302 CG2 ILE 42 4.164 34.594 47.639 1.00 0.00 ATOM 303 CD1 ILE 42 3.616 36.019 45.042 1.00 0.00 ATOM 304 O ILE 42 5.657 31.703 47.569 1.00 0.00 ATOM 305 C ILE 42 6.282 32.743 47.762 1.00 0.00 ATOM 306 N PRO 43 6.915 32.985 48.920 1.00 0.00 ATOM 307 CA PRO 43 6.874 31.988 49.994 1.00 0.00 ATOM 308 CB PRO 43 7.762 32.607 51.069 1.00 0.00 ATOM 309 CG PRO 43 8.754 33.407 50.256 1.00 0.00 ATOM 310 CD PRO 43 7.836 34.082 49.261 1.00 0.00 ATOM 311 O PRO 43 4.758 32.744 50.857 1.00 0.00 ATOM 312 C PRO 43 5.434 31.787 50.466 1.00 0.00 ATOM 313 N MET 44 4.967 30.543 50.418 1.00 0.00 ATOM 314 CA MET 44 3.607 30.226 50.831 1.00 0.00 ATOM 315 CB MET 44 3.082 29.046 50.010 1.00 0.00 ATOM 316 CG MET 44 3.142 29.270 48.505 1.00 0.00 ATOM 317 SD MET 44 2.156 30.840 47.937 1.00 0.00 ATOM 318 CE MET 44 0.364 30.114 47.963 1.00 0.00 ATOM 319 O MET 44 3.563 28.733 52.716 1.00 0.00 ATOM 320 C MET 44 3.562 29.897 52.322 1.00 0.00 ATOM 321 N MET 45 3.507 30.940 53.143 1.00 0.00 ATOM 322 CA MET 45 3.484 30.791 54.591 1.00 0.00 ATOM 323 CB MET 45 3.869 32.122 55.238 1.00 0.00 ATOM 324 CG MET 45 5.205 32.658 54.773 1.00 0.00 ATOM 325 SD MET 45 6.675 31.584 55.400 1.00 0.00 ATOM 326 CE MET 45 6.841 30.338 53.999 1.00 0.00 ATOM 327 O MET 45 1.451 31.065 55.845 1.00 0.00 ATOM 328 C MET 45 2.131 30.326 55.133 1.00 0.00 ATOM 329 N LEU 46 1.754 29.098 54.790 1.00 0.00 ATOM 330 CA LEU 46 0.497 28.506 55.228 1.00 0.00 ATOM 331 CB LEU 46 -0.527 28.522 54.093 1.00 0.00 ATOM 332 CG LEU 46 -1.145 29.872 53.732 1.00 0.00 ATOM 333 CD1 LEU 46 -1.938 29.741 52.430 1.00 0.00 ATOM 334 CD2 LEU 46 -2.034 30.343 54.878 1.00 0.00 ATOM 335 O LEU 46 1.371 26.305 54.957 1.00 0.00 ATOM 336 C LEU 46 0.736 27.069 55.665 1.00 0.00 ATOM 337 N GLU 47 0.217 26.704 56.832 1.00 0.00 ATOM 338 CA GLU 47 0.388 25.352 57.347 1.00 0.00 ATOM 339 CB GLU 47 -0.380 25.201 58.662 1.00 0.00 ATOM 340 CG GLU 47 -0.402 23.790 59.219 1.00 0.00 ATOM 341 CD GLU 47 -0.788 23.745 60.688 1.00 0.00 ATOM 342 OE1 GLU 47 -1.719 24.475 61.091 1.00 0.00 ATOM 343 OE2 GLU 47 -0.165 22.963 61.438 1.00 0.00 ATOM 344 O GLU 47 0.604 23.288 56.127 1.00 0.00 ATOM 345 C GLU 47 -0.063 24.302 56.326 1.00 0.00 ATOM 346 N SER 48 -1.182 24.565 55.663 1.00 0.00 ATOM 347 CA SER 48 -1.723 23.652 54.658 1.00 0.00 ATOM 348 CB SER 48 -3.017 24.232 54.090 1.00 0.00 ATOM 349 OG SER 48 -2.764 25.476 53.458 1.00 0.00 ATOM 350 O SER 48 -0.838 22.305 52.871 1.00 0.00 ATOM 351 C SER 48 -0.761 23.361 53.499 1.00 0.00 ATOM 352 N GLU 49 0.134 24.307 53.216 1.00 0.00 ATOM 353 CA GLU 49 1.094 24.176 52.122 1.00 0.00 ATOM 354 CB GLU 49 1.475 25.571 51.603 1.00 0.00 ATOM 355 CG GLU 49 0.329 26.352 50.980 1.00 0.00 ATOM 356 CD GLU 49 0.092 25.983 49.529 1.00 0.00 ATOM 357 OE1 GLU 49 -0.870 26.511 48.929 1.00 0.00 ATOM 358 OE2 GLU 49 0.871 25.172 48.985 1.00 0.00 ATOM 359 O GLU 49 3.088 22.962 51.610 1.00 0.00 ATOM 360 C GLU 49 2.374 23.424 52.488 1.00 0.00 ATOM 361 N ALA 50 2.658 23.306 53.781 1.00 0.00 ATOM 362 CA ALA 50 3.874 22.644 54.246 1.00 0.00 ATOM 363 CB ALA 50 4.114 22.980 55.709 1.00 0.00 ATOM 364 O ALA 50 2.896 20.446 54.163 1.00 0.00 ATOM 365 C ALA 50 3.910 21.133 54.062 1.00 0.00 ATOM 366 N ARG 51 5.104 20.624 53.794 1.00 0.00 ATOM 367 CA ARG 51 5.300 19.192 53.625 1.00 0.00 ATOM 368 CB ARG 51 5.926 18.895 52.264 1.00 0.00 ATOM 369 CG ARG 51 7.307 19.491 52.121 1.00 0.00 ATOM 370 CD ARG 51 8.111 18.860 51.003 1.00 0.00 ATOM 371 NE ARG 51 9.528 19.145 51.201 1.00 0.00 ATOM 372 CZ ARG 51 10.508 18.708 50.421 1.00 0.00 ATOM 373 NH1 ARG 51 10.241 17.955 49.364 1.00 0.00 ATOM 374 NH2 ARG 51 11.762 19.024 50.708 1.00 0.00 ATOM 375 O ARG 51 7.176 19.513 55.073 1.00 0.00 ATOM 376 C ARG 51 6.267 18.763 54.724 1.00 0.00 ATOM 377 N GLU 52 6.068 17.572 55.280 1.00 0.00 ATOM 378 CA GLU 52 6.967 17.071 56.315 1.00 0.00 ATOM 379 CB GLU 52 6.379 15.851 57.003 1.00 0.00 ATOM 380 CG GLU 52 5.115 16.106 57.769 1.00 0.00 ATOM 381 CD GLU 52 4.704 14.899 58.579 1.00 0.00 ATOM 382 OE1 GLU 52 5.545 14.380 59.346 1.00 0.00 ATOM 383 OE2 GLU 52 3.541 14.471 58.448 1.00 0.00 ATOM 384 O GLU 52 8.231 16.169 54.503 1.00 0.00 ATOM 385 C GLU 52 8.264 16.654 55.633 1.00 0.00 ATOM 386 N LEU 53 9.394 16.840 56.316 1.00 0.00 ATOM 387 CA LEU 53 10.699 16.481 55.767 1.00 0.00 ATOM 388 CB LEU 53 11.830 17.193 56.510 1.00 0.00 ATOM 389 CG LEU 53 11.906 18.716 56.541 1.00 0.00 ATOM 390 CD1 LEU 53 13.079 19.070 57.423 1.00 0.00 ATOM 391 CD2 LEU 53 12.007 19.320 55.139 1.00 0.00 ATOM 392 O LEU 53 10.369 14.300 56.736 1.00 0.00 ATOM 393 C LEU 53 10.917 14.978 55.858 1.00 0.00 ATOM 394 N ALA 54 11.660 14.446 54.897 1.00 0.00 ATOM 395 CA ALA 54 11.951 13.030 54.912 1.00 0.00 ATOM 396 CB ALA 54 12.315 12.562 53.522 1.00 0.00 ATOM 397 O ALA 54 13.861 13.963 56.110 1.00 0.00 ATOM 398 C ALA 54 13.176 12.960 55.856 1.00 0.00 ATOM 399 N PRO 55 13.469 11.782 56.404 1.00 0.00 ATOM 400 CA PRO 55 14.633 11.743 57.290 1.00 0.00 ATOM 401 CB PRO 55 14.518 10.394 58.008 1.00 0.00 ATOM 402 CG PRO 55 13.384 9.626 57.299 1.00 0.00 ATOM 403 CD PRO 55 12.955 10.441 56.098 1.00 0.00 ATOM 404 O PRO 55 16.955 12.209 57.074 1.00 0.00 ATOM 405 C PRO 55 15.924 11.868 56.500 1.00 0.00 ATOM 406 N GLU 56 15.854 11.594 55.196 1.00 0.00 ATOM 407 CA GLU 56 17.008 11.695 54.321 1.00 0.00 ATOM 408 CB GLU 56 16.707 11.024 52.981 1.00 0.00 ATOM 409 CG GLU 56 15.431 11.526 52.337 1.00 0.00 ATOM 410 CD GLU 56 14.755 10.485 51.478 1.00 0.00 ATOM 411 OE1 GLU 56 15.124 10.367 50.288 1.00 0.00 ATOM 412 OE2 GLU 56 13.854 9.787 52.001 1.00 0.00 ATOM 413 O GLU 56 18.388 13.536 53.636 1.00 0.00 ATOM 414 C GLU 56 17.311 13.172 54.116 1.00 0.00 ATOM 415 N GLU 57 16.351 14.016 54.485 1.00 0.00 ATOM 416 CA GLU 57 16.508 15.454 54.357 1.00 0.00 ATOM 417 CB GLU 57 15.208 16.103 53.891 1.00 0.00 ATOM 418 CG GLU 57 14.721 15.635 52.543 1.00 0.00 ATOM 419 CD GLU 57 13.489 16.393 52.091 1.00 0.00 ATOM 420 OE1 GLU 57 13.646 17.469 51.469 1.00 0.00 ATOM 421 OE2 GLU 57 12.369 15.916 52.374 1.00 0.00 ATOM 422 O GLU 57 17.538 17.153 55.658 1.00 0.00 ATOM 423 C GLU 57 16.924 16.091 55.674 1.00 0.00 ATOM 424 N GLU 58 16.567 15.482 56.804 1.00 0.00 ATOM 425 CA GLU 58 16.950 16.034 58.097 1.00 0.00 ATOM 426 CB GLU 58 16.271 15.256 59.226 1.00 0.00 ATOM 427 CG GLU 58 15.041 15.947 59.787 1.00 0.00 ATOM 428 CD GLU 58 14.299 15.104 60.799 1.00 0.00 ATOM 429 OE1 GLU 58 13.430 14.309 60.385 1.00 0.00 ATOM 430 OE2 GLU 58 14.592 15.236 62.005 1.00 0.00 ATOM 431 O GLU 58 19.070 16.741 58.979 1.00 0.00 ATOM 432 C GLU 58 18.468 15.962 58.242 1.00 0.00 ATOM 433 N VAL 59 19.086 15.033 57.517 1.00 0.00 ATOM 434 CA VAL 59 20.535 14.858 57.584 1.00 0.00 ATOM 435 CB VAL 59 21.031 13.692 56.666 1.00 0.00 ATOM 436 CG1 VAL 59 20.325 12.405 57.027 1.00 0.00 ATOM 437 CG2 VAL 59 20.802 14.025 55.206 1.00 0.00 ATOM 438 O VAL 59 22.323 16.401 57.952 1.00 0.00 ATOM 439 C VAL 59 21.358 16.105 57.253 1.00 0.00 ATOM 440 N LYS 60 20.986 16.844 56.207 1.00 0.00 ATOM 441 CA LYS 60 21.760 18.029 55.823 1.00 0.00 ATOM 442 CB LYS 60 21.469 18.425 54.372 1.00 0.00 ATOM 443 CG LYS 60 20.078 18.949 54.106 1.00 0.00 ATOM 444 CD LYS 60 19.972 19.400 52.663 1.00 0.00 ATOM 445 CE LYS 60 18.542 19.729 52.286 1.00 0.00 ATOM 446 NZ LYS 60 18.423 20.043 50.835 1.00 0.00 ATOM 447 O LYS 60 22.423 20.184 56.636 1.00 0.00 ATOM 448 C LYS 60 21.614 19.260 56.715 1.00 0.00 ATOM 449 N LEU 61 20.586 19.290 57.552 1.00 0.00 ATOM 450 CA LEU 61 20.405 20.417 58.455 1.00 0.00 ATOM 451 CB LEU 61 18.916 20.686 58.669 1.00 0.00 ATOM 452 CG LEU 61 18.151 20.866 57.351 1.00 0.00 ATOM 453 CD1 LEU 61 16.658 20.906 57.610 1.00 0.00 ATOM 454 CD2 LEU 61 18.616 22.135 56.656 1.00 0.00 ATOM 455 O LEU 61 21.144 20.731 60.722 1.00 0.00 ATOM 456 C LEU 61 21.080 19.981 59.745 1.00 0.00 ATOM 457 N GLU 62 21.591 18.748 59.702 1.00 0.00 ATOM 458 CA GLU 62 22.299 18.089 60.801 1.00 0.00 ATOM 459 CB GLU 62 23.142 19.095 61.584 1.00 0.00 ATOM 460 CG GLU 62 24.478 19.348 60.921 1.00 0.00 ATOM 461 CD GLU 62 25.166 20.586 61.439 1.00 0.00 ATOM 462 OE1 GLU 62 25.457 20.653 62.655 1.00 0.00 ATOM 463 OE2 GLU 62 25.413 21.492 60.616 1.00 0.00 ATOM 464 O GLU 62 20.811 17.894 62.655 1.00 0.00 ATOM 465 C GLU 62 21.416 17.289 61.747 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 T0348.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.836 # GDT_score = -41.803 # GDT_score(maxd=8.000,maxw=2.900)= -40.922 # GDT_score(maxd=8.000,maxw=3.200)= -39.252 # GDT_score(maxd=8.000,maxw=3.500)= -37.714 # GDT_score(maxd=10.000,maxw=3.800)= -40.206 # GDT_score(maxd=10.000,maxw=4.000)= -39.099 # GDT_score(maxd=10.000,maxw=4.200)= -37.985 # GDT_score(maxd=12.000,maxw=4.300)= -40.726 # GDT_score(maxd=12.000,maxw=4.500)= -39.601 # GDT_score(maxd=12.000,maxw=4.700)= -38.420 # GDT_score(maxd=14.000,maxw=5.200)= -38.319 # GDT_score(maxd=14.000,maxw=5.500)= -36.754 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.525 # GDT_score = -37.295 # GDT_score(maxd=8.000,maxw=2.900)= -38.648 # GDT_score(maxd=8.000,maxw=3.200)= -37.333 # GDT_score(maxd=8.000,maxw=3.500)= -35.855 # GDT_score(maxd=10.000,maxw=3.800)= -36.936 # GDT_score(maxd=10.000,maxw=4.000)= -36.010 # GDT_score(maxd=10.000,maxw=4.200)= -35.154 # GDT_score(maxd=12.000,maxw=4.300)= -36.661 # GDT_score(maxd=12.000,maxw=4.500)= -35.833 # GDT_score(maxd=12.000,maxw=4.700)= -34.990 # GDT_score(maxd=14.000,maxw=5.200)= -34.444 # GDT_score(maxd=14.000,maxw=5.500)= -33.170 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0348 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 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try11-opt1-scwrl.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try11-opt1.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-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 T0348.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-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 T0348.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try5-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0348.try5-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0348.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-M1-K60-2-8.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1015581574.pdb -s /var/tmp/to_scwrl_1015581574.seq -o /var/tmp/from_scwrl_1015581574.pdb > /var/tmp/scwrl_1015581574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015581574.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 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_469151735.pdb -s /var/tmp/to_scwrl_469151735.seq -o /var/tmp/from_scwrl_469151735.pdb > /var/tmp/scwrl_469151735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_469151735.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1249470807.pdb -s /var/tmp/to_scwrl_1249470807.seq -o /var/tmp/from_scwrl_1249470807.pdb > /var/tmp/scwrl_1249470807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249470807.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 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_184198281.pdb -s /var/tmp/to_scwrl_184198281.seq -o /var/tmp/from_scwrl_184198281.pdb > /var/tmp/scwrl_184198281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184198281.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_309385666.pdb -s /var/tmp/to_scwrl_309385666.seq -o /var/tmp/from_scwrl_309385666.pdb > /var/tmp/scwrl_309385666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_309385666.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_969612048.pdb -s /var/tmp/to_scwrl_969612048.seq -o /var/tmp/from_scwrl_969612048.pdb > /var/tmp/scwrl_969612048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_969612048.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1457431006.pdb -s /var/tmp/to_scwrl_1457431006.seq -o /var/tmp/from_scwrl_1457431006.pdb > /var/tmp/scwrl_1457431006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457431006.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_492063754.pdb -s /var/tmp/to_scwrl_492063754.seq -o /var/tmp/from_scwrl_492063754.pdb > /var/tmp/scwrl_492063754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_492063754.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_30574703.pdb -s /var/tmp/to_scwrl_30574703.seq -o /var/tmp/from_scwrl_30574703.pdb > /var/tmp/scwrl_30574703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_30574703.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2010530998.pdb -s /var/tmp/to_scwrl_2010530998.seq -o /var/tmp/from_scwrl_2010530998.pdb > /var/tmp/scwrl_2010530998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010530998.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_809953320.pdb -s /var/tmp/to_scwrl_809953320.seq -o /var/tmp/from_scwrl_809953320.pdb > /var/tmp/scwrl_809953320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_809953320.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 T0348 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_900149994.pdb -s /var/tmp/to_scwrl_900149994.seq -o /var/tmp/from_scwrl_900149994.pdb > /var/tmp/scwrl_900149994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_900149994.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_229323792.pdb -s /var/tmp/to_scwrl_229323792.seq -o /var/tmp/from_scwrl_229323792.pdb > /var/tmp/scwrl_229323792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_229323792.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_529121694.pdb -s /var/tmp/to_scwrl_529121694.seq -o /var/tmp/from_scwrl_529121694.pdb > /var/tmp/scwrl_529121694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_529121694.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1570298800.pdb -s /var/tmp/to_scwrl_1570298800.seq -o /var/tmp/from_scwrl_1570298800.pdb > /var/tmp/scwrl_1570298800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1570298800.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_729929950.pdb -s /var/tmp/to_scwrl_729929950.seq -o /var/tmp/from_scwrl_729929950.pdb > /var/tmp/scwrl_729929950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_729929950.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 42 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_513858833.pdb -s /var/tmp/to_scwrl_513858833.seq -o /var/tmp/from_scwrl_513858833.pdb > /var/tmp/scwrl_513858833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_513858833.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 36 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_53878680.pdb -s /var/tmp/to_scwrl_53878680.seq -o /var/tmp/from_scwrl_53878680.pdb > /var/tmp/scwrl_53878680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_53878680.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 67 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1155740123.pdb -s /var/tmp/to_scwrl_1155740123.seq -o /var/tmp/from_scwrl_1155740123.pdb > /var/tmp/scwrl_1155740123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1155740123.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 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_178038409.pdb -s /var/tmp/to_scwrl_178038409.seq -o /var/tmp/from_scwrl_178038409.pdb > /var/tmp/scwrl_178038409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_178038409.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 67 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_933574087.pdb -s /var/tmp/to_scwrl_933574087.seq -o /var/tmp/from_scwrl_933574087.pdb > /var/tmp/scwrl_933574087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933574087.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 59 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1261113827.pdb -s /var/tmp/to_scwrl_1261113827.seq -o /var/tmp/from_scwrl_1261113827.pdb > /var/tmp/scwrl_1261113827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261113827.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 63 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_674755029.pdb -s /var/tmp/to_scwrl_674755029.seq -o /var/tmp/from_scwrl_674755029.pdb > /var/tmp/scwrl_674755029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_674755029.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 45 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_910413830.pdb -s /var/tmp/to_scwrl_910413830.seq -o /var/tmp/from_scwrl_910413830.pdb > /var/tmp/scwrl_910413830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_910413830.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 34 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1228738709.pdb -s /var/tmp/to_scwrl_1228738709.seq -o /var/tmp/from_scwrl_1228738709.pdb > /var/tmp/scwrl_1228738709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228738709.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1413290909.pdb -s /var/tmp/to_scwrl_1413290909.seq -o /var/tmp/from_scwrl_1413290909.pdb > /var/tmp/scwrl_1413290909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413290909.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 62 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_428741792.pdb -s /var/tmp/to_scwrl_428741792.seq -o /var/tmp/from_scwrl_428741792.pdb > /var/tmp/scwrl_428741792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428741792.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1121673237.pdb -s /var/tmp/to_scwrl_1121673237.seq -o /var/tmp/from_scwrl_1121673237.pdb > /var/tmp/scwrl_1121673237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1121673237.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1468612324.pdb -s /var/tmp/to_scwrl_1468612324.seq -o /var/tmp/from_scwrl_1468612324.pdb > /var/tmp/scwrl_1468612324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1468612324.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_523070512.pdb -s /var/tmp/to_scwrl_523070512.seq -o /var/tmp/from_scwrl_523070512.pdb > /var/tmp/scwrl_523070512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523070512.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1649828487.pdb -s /var/tmp/to_scwrl_1649828487.seq -o /var/tmp/from_scwrl_1649828487.pdb > /var/tmp/scwrl_1649828487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1649828487.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_336710252.pdb -s /var/tmp/to_scwrl_336710252.seq -o /var/tmp/from_scwrl_336710252.pdb > /var/tmp/scwrl_336710252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_336710252.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_992222248.pdb -s /var/tmp/to_scwrl_992222248.seq -o /var/tmp/from_scwrl_992222248.pdb > /var/tmp/scwrl_992222248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_992222248.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 60 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_751815649.pdb -s /var/tmp/to_scwrl_751815649.seq -o /var/tmp/from_scwrl_751815649.pdb > /var/tmp/scwrl_751815649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751815649.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 65 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_520908533.pdb -s /var/tmp/to_scwrl_520908533.seq -o /var/tmp/from_scwrl_520908533.pdb > /var/tmp/scwrl_520908533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520908533.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1301607913.pdb -s /var/tmp/to_scwrl_1301607913.seq -o /var/tmp/from_scwrl_1301607913.pdb > /var/tmp/scwrl_1301607913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1301607913.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1721427696.pdb -s /var/tmp/to_scwrl_1721427696.seq -o /var/tmp/from_scwrl_1721427696.pdb > /var/tmp/scwrl_1721427696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1721427696.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1978339539.pdb -s /var/tmp/to_scwrl_1978339539.seq -o /var/tmp/from_scwrl_1978339539.pdb > /var/tmp/scwrl_1978339539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978339539.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1793671667.pdb -s /var/tmp/to_scwrl_1793671667.seq -o /var/tmp/from_scwrl_1793671667.pdb > /var/tmp/scwrl_1793671667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793671667.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 T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1752002399.pdb -s /var/tmp/to_scwrl_1752002399.seq -o /var/tmp/from_scwrl_1752002399.pdb > /var/tmp/scwrl_1752002399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1752002399.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1841386890.pdb -s /var/tmp/to_scwrl_1841386890.seq -o /var/tmp/from_scwrl_1841386890.pdb > /var/tmp/scwrl_1841386890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841386890.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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_456141340.pdb -s /var/tmp/to_scwrl_456141340.seq -o /var/tmp/from_scwrl_456141340.pdb > /var/tmp/scwrl_456141340.log Error: can't open any of /var/tmp/from_scwrl_456141340.pdb or /var/tmp/from_scwrl_456141340_b.pdb or /var/tmp/from_scwrl_456141340_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_504668746.pdb -s /var/tmp/to_scwrl_504668746.seq -o /var/tmp/from_scwrl_504668746.pdb > /var/tmp/scwrl_504668746.log Error: can't open any of /var/tmp/from_scwrl_504668746.pdb or /var/tmp/from_scwrl_504668746_b.pdb or /var/tmp/from_scwrl_504668746_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2070710682.pdb -s /var/tmp/to_scwrl_2070710682.seq -o /var/tmp/from_scwrl_2070710682.pdb > /var/tmp/scwrl_2070710682.log Error: can't open any of /var/tmp/from_scwrl_2070710682.pdb or /var/tmp/from_scwrl_2070710682_b.pdb or /var/tmp/from_scwrl_2070710682_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_985263034.pdb -s /var/tmp/to_scwrl_985263034.seq -o /var/tmp/from_scwrl_985263034.pdb > /var/tmp/scwrl_985263034.log Error: can't open any of /var/tmp/from_scwrl_985263034.pdb or /var/tmp/from_scwrl_985263034_b.pdb or /var/tmp/from_scwrl_985263034_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2074967546.pdb -s /var/tmp/to_scwrl_2074967546.seq -o /var/tmp/from_scwrl_2074967546.pdb > /var/tmp/scwrl_2074967546.log Error: can't open any of /var/tmp/from_scwrl_2074967546.pdb or /var/tmp/from_scwrl_2074967546_b.pdb or /var/tmp/from_scwrl_2074967546_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 67 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_653156985.pdb -s /var/tmp/to_scwrl_653156985.seq -o /var/tmp/from_scwrl_653156985.pdb > /var/tmp/scwrl_653156985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653156985.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1499121866.pdb -s /var/tmp/to_scwrl_1499121866.seq -o /var/tmp/from_scwrl_1499121866.pdb > /var/tmp/scwrl_1499121866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499121866.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2128846226.pdb -s /var/tmp/to_scwrl_2128846226.seq -o /var/tmp/from_scwrl_2128846226.pdb > /var/tmp/scwrl_2128846226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128846226.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 67 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1808897108.pdb -s /var/tmp/to_scwrl_1808897108.seq -o /var/tmp/from_scwrl_1808897108.pdb > /var/tmp/scwrl_1808897108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1808897108.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 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1677160276.pdb -s /var/tmp/to_scwrl_1677160276.seq -o /var/tmp/from_scwrl_1677160276.pdb > /var/tmp/scwrl_1677160276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1677160276.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 66 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_914936667.pdb -s /var/tmp/to_scwrl_914936667.seq -o /var/tmp/from_scwrl_914936667.pdb > /var/tmp/scwrl_914936667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_914936667.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 64 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_922527289.pdb -s /var/tmp/to_scwrl_922527289.seq -o /var/tmp/from_scwrl_922527289.pdb > /var/tmp/scwrl_922527289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_922527289.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_204431658.pdb -s /var/tmp/to_scwrl_204431658.seq -o /var/tmp/from_scwrl_204431658.pdb > /var/tmp/scwrl_204431658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204431658.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 60 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1825350496.pdb -s /var/tmp/to_scwrl_1825350496.seq -o /var/tmp/from_scwrl_1825350496.pdb > /var/tmp/scwrl_1825350496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1825350496.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_3782352.pdb -s /var/tmp/to_scwrl_3782352.seq -o /var/tmp/from_scwrl_3782352.pdb > /var/tmp/scwrl_3782352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3782352.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1617722567.pdb -s /var/tmp/to_scwrl_1617722567.seq -o /var/tmp/from_scwrl_1617722567.pdb > /var/tmp/scwrl_1617722567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617722567.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 66 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_106608642.pdb -s /var/tmp/to_scwrl_106608642.seq -o /var/tmp/from_scwrl_106608642.pdb > /var/tmp/scwrl_106608642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106608642.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1125455589.pdb -s /var/tmp/to_scwrl_1125455589.seq -o /var/tmp/from_scwrl_1125455589.pdb > /var/tmp/scwrl_1125455589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1125455589.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_938851245.pdb -s /var/tmp/to_scwrl_938851245.seq -o /var/tmp/from_scwrl_938851245.pdb > /var/tmp/scwrl_938851245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_938851245.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 32 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_629679154.pdb -s /var/tmp/to_scwrl_629679154.seq -o /var/tmp/from_scwrl_629679154.pdb > /var/tmp/scwrl_629679154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629679154.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 T0348 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_627800430.pdb -s /var/tmp/to_scwrl_627800430.seq -o /var/tmp/from_scwrl_627800430.pdb > /var/tmp/scwrl_627800430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_627800430.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 T0348 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1275561496.pdb -s /var/tmp/to_scwrl_1275561496.seq -o /var/tmp/from_scwrl_1275561496.pdb > /var/tmp/scwrl_1275561496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1275561496.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1621901401.pdb -s /var/tmp/to_scwrl_1621901401.seq -o /var/tmp/from_scwrl_1621901401.pdb > /var/tmp/scwrl_1621901401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621901401.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1379616078.pdb -s /var/tmp/to_scwrl_1379616078.seq -o /var/tmp/from_scwrl_1379616078.pdb > /var/tmp/scwrl_1379616078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379616078.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1796470029.pdb -s /var/tmp/to_scwrl_1796470029.seq -o /var/tmp/from_scwrl_1796470029.pdb > /var/tmp/scwrl_1796470029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796470029.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 T0348 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_776025668.pdb -s /var/tmp/to_scwrl_776025668.seq -o /var/tmp/from_scwrl_776025668.pdb > /var/tmp/scwrl_776025668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776025668.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_953560128.pdb -s /var/tmp/to_scwrl_953560128.seq -o /var/tmp/from_scwrl_953560128.pdb > /var/tmp/scwrl_953560128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_953560128.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 T0348 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1627325921.pdb -s /var/tmp/to_scwrl_1627325921.seq -o /var/tmp/from_scwrl_1627325921.pdb > /var/tmp/scwrl_1627325921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1627325921.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_422213688.pdb -s /var/tmp/to_scwrl_422213688.seq -o /var/tmp/from_scwrl_422213688.pdb > /var/tmp/scwrl_422213688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422213688.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_558078880.pdb -s /var/tmp/to_scwrl_558078880.seq -o /var/tmp/from_scwrl_558078880.pdb > /var/tmp/scwrl_558078880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558078880.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 51 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1321229164.pdb -s /var/tmp/to_scwrl_1321229164.seq -o /var/tmp/from_scwrl_1321229164.pdb > /var/tmp/scwrl_1321229164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321229164.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 65 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_878355028.pdb -s /var/tmp/to_scwrl_878355028.seq -o /var/tmp/from_scwrl_878355028.pdb > /var/tmp/scwrl_878355028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_878355028.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 67 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1062747626.pdb -s /var/tmp/to_scwrl_1062747626.seq -o /var/tmp/from_scwrl_1062747626.pdb > /var/tmp/scwrl_1062747626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1062747626.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 67 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1244456200.pdb -s /var/tmp/to_scwrl_1244456200.seq -o /var/tmp/from_scwrl_1244456200.pdb > /var/tmp/scwrl_1244456200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1244456200.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 53 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1863618061.pdb -s /var/tmp/to_scwrl_1863618061.seq -o /var/tmp/from_scwrl_1863618061.pdb > /var/tmp/scwrl_1863618061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1863618061.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 51 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_990231525.pdb -s /var/tmp/to_scwrl_990231525.seq -o /var/tmp/from_scwrl_990231525.pdb > /var/tmp/scwrl_990231525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_990231525.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 42 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1897613185.pdb -s /var/tmp/to_scwrl_1897613185.seq -o /var/tmp/from_scwrl_1897613185.pdb > /var/tmp/scwrl_1897613185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897613185.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 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1215256281.pdb -s /var/tmp/to_scwrl_1215256281.seq -o /var/tmp/from_scwrl_1215256281.pdb > /var/tmp/scwrl_1215256281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1215256281.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 63 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_971594105.pdb -s /var/tmp/to_scwrl_971594105.seq -o /var/tmp/from_scwrl_971594105.pdb > /var/tmp/scwrl_971594105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_971594105.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 52 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1559026647.pdb -s /var/tmp/to_scwrl_1559026647.seq -o /var/tmp/from_scwrl_1559026647.pdb > /var/tmp/scwrl_1559026647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559026647.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 T0348 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_744932911.pdb -s /var/tmp/to_scwrl_744932911.seq -o /var/tmp/from_scwrl_744932911.pdb > /var/tmp/scwrl_744932911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_744932911.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1886530771.pdb -s /var/tmp/to_scwrl_1886530771.seq -o /var/tmp/from_scwrl_1886530771.pdb > /var/tmp/scwrl_1886530771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1886530771.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_334070289.pdb -s /var/tmp/to_scwrl_334070289.seq -o /var/tmp/from_scwrl_334070289.pdb > /var/tmp/scwrl_334070289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_334070289.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_949364569.pdb -s /var/tmp/to_scwrl_949364569.seq -o /var/tmp/from_scwrl_949364569.pdb > /var/tmp/scwrl_949364569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_949364569.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 T0348 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1564397620.pdb -s /var/tmp/to_scwrl_1564397620.seq -o /var/tmp/from_scwrl_1564397620.pdb > /var/tmp/scwrl_1564397620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1564397620.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_337852641.pdb -s /var/tmp/to_scwrl_337852641.seq -o /var/tmp/from_scwrl_337852641.pdb > /var/tmp/scwrl_337852641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337852641.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 67 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_419603489.pdb -s /var/tmp/to_scwrl_419603489.seq -o /var/tmp/from_scwrl_419603489.pdb > /var/tmp/scwrl_419603489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419603489.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 63 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1671006262.pdb -s /var/tmp/to_scwrl_1671006262.seq -o /var/tmp/from_scwrl_1671006262.pdb > /var/tmp/scwrl_1671006262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1671006262.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 65 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1463308230.pdb -s /var/tmp/to_scwrl_1463308230.seq -o /var/tmp/from_scwrl_1463308230.pdb > /var/tmp/scwrl_1463308230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1463308230.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 61 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1358454733.pdb -s /var/tmp/to_scwrl_1358454733.seq -o /var/tmp/from_scwrl_1358454733.pdb > /var/tmp/scwrl_1358454733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358454733.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_153201770.pdb -s /var/tmp/to_scwrl_153201770.seq -o /var/tmp/from_scwrl_153201770.pdb > /var/tmp/scwrl_153201770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153201770.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 7 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2091108661.pdb -s /var/tmp/to_scwrl_2091108661.seq -o /var/tmp/from_scwrl_2091108661.pdb > /var/tmp/scwrl_2091108661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2091108661.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_486532584.pdb -s /var/tmp/to_scwrl_486532584.seq -o /var/tmp/from_scwrl_486532584.pdb > /var/tmp/scwrl_486532584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_486532584.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 37 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1775103171.pdb -s /var/tmp/to_scwrl_1775103171.seq -o /var/tmp/from_scwrl_1775103171.pdb > /var/tmp/scwrl_1775103171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1775103171.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1323241092.pdb -s /var/tmp/to_scwrl_1323241092.seq -o /var/tmp/from_scwrl_1323241092.pdb > /var/tmp/scwrl_1323241092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323241092.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_135518966.pdb -s /var/tmp/to_scwrl_135518966.seq -o /var/tmp/from_scwrl_135518966.pdb > /var/tmp/scwrl_135518966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_135518966.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_403645193.pdb -s /var/tmp/to_scwrl_403645193.seq -o /var/tmp/from_scwrl_403645193.pdb > /var/tmp/scwrl_403645193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403645193.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_129317574.pdb -s /var/tmp/to_scwrl_129317574.seq -o /var/tmp/from_scwrl_129317574.pdb > /var/tmp/scwrl_129317574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_129317574.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1762844888.pdb -s /var/tmp/to_scwrl_1762844888.seq -o /var/tmp/from_scwrl_1762844888.pdb > /var/tmp/scwrl_1762844888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1762844888.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 62 ; scwrl -i /var/tmp/to_scwrl_825858881.pdb -s /var/tmp/to_scwrl_825858881.seq -o /var/tmp/from_scwrl_825858881.pdb > /var/tmp/scwrl_825858881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825858881.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_687396454.pdb -s /var/tmp/to_scwrl_687396454.seq -o /var/tmp/from_scwrl_687396454.pdb > /var/tmp/scwrl_687396454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_687396454.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_936590406.pdb -s /var/tmp/to_scwrl_936590406.seq -o /var/tmp/from_scwrl_936590406.pdb > /var/tmp/scwrl_936590406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936590406.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1704213909.pdb -s /var/tmp/to_scwrl_1704213909.seq -o /var/tmp/from_scwrl_1704213909.pdb > /var/tmp/scwrl_1704213909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704213909.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1750144080.pdb -s /var/tmp/to_scwrl_1750144080.seq -o /var/tmp/from_scwrl_1750144080.pdb > /var/tmp/scwrl_1750144080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750144080.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_33562959.pdb -s /var/tmp/to_scwrl_33562959.seq -o /var/tmp/from_scwrl_33562959.pdb > /var/tmp/scwrl_33562959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_33562959.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1420348323.pdb -s /var/tmp/to_scwrl_1420348323.seq -o /var/tmp/from_scwrl_1420348323.pdb > /var/tmp/scwrl_1420348323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1420348323.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_592891958.pdb -s /var/tmp/to_scwrl_592891958.seq -o /var/tmp/from_scwrl_592891958.pdb > /var/tmp/scwrl_592891958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592891958.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 T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1931176145.pdb -s /var/tmp/to_scwrl_1931176145.seq -o /var/tmp/from_scwrl_1931176145.pdb > /var/tmp/scwrl_1931176145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1931176145.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 T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_488120958.pdb -s /var/tmp/to_scwrl_488120958.seq -o /var/tmp/from_scwrl_488120958.pdb > /var/tmp/scwrl_488120958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_488120958.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 T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1564486062.pdb -s /var/tmp/to_scwrl_1564486062.seq -o /var/tmp/from_scwrl_1564486062.pdb > /var/tmp/scwrl_1564486062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1564486062.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 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1342719145.pdb -s /var/tmp/to_scwrl_1342719145.seq -o /var/tmp/from_scwrl_1342719145.pdb > /var/tmp/scwrl_1342719145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1342719145.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 32 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1233053868.pdb -s /var/tmp/to_scwrl_1233053868.seq -o /var/tmp/from_scwrl_1233053868.pdb > /var/tmp/scwrl_1233053868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1233053868.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 55 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1303533186.pdb -s /var/tmp/to_scwrl_1303533186.seq -o /var/tmp/from_scwrl_1303533186.pdb > /var/tmp/scwrl_1303533186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1303533186.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1676789434.pdb -s /var/tmp/to_scwrl_1676789434.seq -o /var/tmp/from_scwrl_1676789434.pdb > /var/tmp/scwrl_1676789434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1676789434.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 # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_34934790.pdb -s /var/tmp/to_scwrl_34934790.seq -o /var/tmp/from_scwrl_34934790.pdb > /var/tmp/scwrl_34934790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34934790.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 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_720447161.pdb -s /var/tmp/to_scwrl_720447161.seq -o /var/tmp/from_scwrl_720447161.pdb > /var/tmp/scwrl_720447161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720447161.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2014642076.pdb -s /var/tmp/to_scwrl_2014642076.seq -o /var/tmp/from_scwrl_2014642076.pdb > /var/tmp/scwrl_2014642076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2014642076.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 65 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_454538279.pdb -s /var/tmp/to_scwrl_454538279.seq -o /var/tmp/from_scwrl_454538279.pdb > /var/tmp/scwrl_454538279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_454538279.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 60 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_243969776.pdb -s /var/tmp/to_scwrl_243969776.seq -o /var/tmp/from_scwrl_243969776.pdb > /var/tmp/scwrl_243969776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_243969776.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 32 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1330466659.pdb -s /var/tmp/to_scwrl_1330466659.seq -o /var/tmp/from_scwrl_1330466659.pdb > /var/tmp/scwrl_1330466659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1330466659.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 51 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1812993013.pdb -s /var/tmp/to_scwrl_1812993013.seq -o /var/tmp/from_scwrl_1812993013.pdb > /var/tmp/scwrl_1812993013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812993013.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 66 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_397171546.pdb -s /var/tmp/to_scwrl_397171546.seq -o /var/tmp/from_scwrl_397171546.pdb > /var/tmp/scwrl_397171546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_397171546.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 67 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1274091673.pdb -s /var/tmp/to_scwrl_1274091673.seq -o /var/tmp/from_scwrl_1274091673.pdb > /var/tmp/scwrl_1274091673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1274091673.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 54 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_152041950.pdb -s /var/tmp/to_scwrl_152041950.seq -o /var/tmp/from_scwrl_152041950.pdb > /var/tmp/scwrl_152041950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_152041950.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 67 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_24791071.pdb -s /var/tmp/to_scwrl_24791071.seq -o /var/tmp/from_scwrl_24791071.pdb > /var/tmp/scwrl_24791071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24791071.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 T0348 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_449849120.pdb -s /var/tmp/to_scwrl_449849120.seq -o /var/tmp/from_scwrl_449849120.pdb > /var/tmp/scwrl_449849120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_449849120.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 35 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_287560916.pdb -s /var/tmp/to_scwrl_287560916.seq -o /var/tmp/from_scwrl_287560916.pdb > /var/tmp/scwrl_287560916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_287560916.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 62 ; scwrl -i /var/tmp/to_scwrl_428436264.pdb -s /var/tmp/to_scwrl_428436264.seq -o /var/tmp/from_scwrl_428436264.pdb > /var/tmp/scwrl_428436264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428436264.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 67 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_579166694.pdb -s /var/tmp/to_scwrl_579166694.seq -o /var/tmp/from_scwrl_579166694.pdb > /var/tmp/scwrl_579166694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579166694.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 65 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2050405804.pdb -s /var/tmp/to_scwrl_2050405804.seq -o /var/tmp/from_scwrl_2050405804.pdb > /var/tmp/scwrl_2050405804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050405804.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 39 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1254295144.pdb -s /var/tmp/to_scwrl_1254295144.seq -o /var/tmp/from_scwrl_1254295144.pdb > /var/tmp/scwrl_1254295144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1254295144.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 62 ; scwrl -i /var/tmp/to_scwrl_1266563147.pdb -s /var/tmp/to_scwrl_1266563147.seq -o /var/tmp/from_scwrl_1266563147.pdb > /var/tmp/scwrl_1266563147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266563147.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 62 ; scwrl -i /var/tmp/to_scwrl_839512564.pdb -s /var/tmp/to_scwrl_839512564.seq -o /var/tmp/from_scwrl_839512564.pdb > /var/tmp/scwrl_839512564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_839512564.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_811025407.pdb -s /var/tmp/to_scwrl_811025407.seq -o /var/tmp/from_scwrl_811025407.pdb > /var/tmp/scwrl_811025407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_811025407.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_869223581.pdb -s /var/tmp/to_scwrl_869223581.seq -o /var/tmp/from_scwrl_869223581.pdb > /var/tmp/scwrl_869223581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_869223581.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_873075523.pdb -s /var/tmp/to_scwrl_873075523.seq -o /var/tmp/from_scwrl_873075523.pdb > /var/tmp/scwrl_873075523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_873075523.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 37 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_83890084.pdb -s /var/tmp/to_scwrl_83890084.seq -o /var/tmp/from_scwrl_83890084.pdb > /var/tmp/scwrl_83890084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_83890084.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1462115539.pdb -s /var/tmp/to_scwrl_1462115539.seq -o /var/tmp/from_scwrl_1462115539.pdb > /var/tmp/scwrl_1462115539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1462115539.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 46 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_656768021.pdb -s /var/tmp/to_scwrl_656768021.seq -o /var/tmp/from_scwrl_656768021.pdb > /var/tmp/scwrl_656768021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_656768021.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 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_572011042.pdb -s /var/tmp/to_scwrl_572011042.seq -o /var/tmp/from_scwrl_572011042.pdb > /var/tmp/scwrl_572011042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_572011042.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_879117955.pdb -s /var/tmp/to_scwrl_879117955.seq -o /var/tmp/from_scwrl_879117955.pdb > /var/tmp/scwrl_879117955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_879117955.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1999487166.pdb -s /var/tmp/to_scwrl_1999487166.seq -o /var/tmp/from_scwrl_1999487166.pdb > /var/tmp/scwrl_1999487166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1999487166.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 T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1805064911.pdb -s /var/tmp/to_scwrl_1805064911.seq -o /var/tmp/from_scwrl_1805064911.pdb > /var/tmp/scwrl_1805064911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1805064911.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_35167495.pdb -s /var/tmp/to_scwrl_35167495.seq -o /var/tmp/from_scwrl_35167495.pdb > /var/tmp/scwrl_35167495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_35167495.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1528792954.pdb -s /var/tmp/to_scwrl_1528792954.seq -o /var/tmp/from_scwrl_1528792954.pdb > /var/tmp/scwrl_1528792954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528792954.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1839999701.pdb -s /var/tmp/to_scwrl_1839999701.seq -o /var/tmp/from_scwrl_1839999701.pdb > /var/tmp/scwrl_1839999701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1839999701.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 T0348 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_755614656.pdb -s /var/tmp/to_scwrl_755614656.seq -o /var/tmp/from_scwrl_755614656.pdb > /var/tmp/scwrl_755614656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755614656.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 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1395951383.pdb -s /var/tmp/to_scwrl_1395951383.seq -o /var/tmp/from_scwrl_1395951383.pdb > /var/tmp/scwrl_1395951383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1395951383.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 65 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_147054334.pdb -s /var/tmp/to_scwrl_147054334.seq -o /var/tmp/from_scwrl_147054334.pdb > /var/tmp/scwrl_147054334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147054334.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 65 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_999584432.pdb -s /var/tmp/to_scwrl_999584432.seq -o /var/tmp/from_scwrl_999584432.pdb > /var/tmp/scwrl_999584432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_999584432.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 # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_578934396.pdb -s /var/tmp/to_scwrl_578934396.seq -o /var/tmp/from_scwrl_578934396.pdb > /var/tmp/scwrl_578934396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_578934396.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 62 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1960047347.pdb -s /var/tmp/to_scwrl_1960047347.seq -o /var/tmp/from_scwrl_1960047347.pdb > /var/tmp/scwrl_1960047347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1960047347.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 T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1396755978.pdb -s /var/tmp/to_scwrl_1396755978.seq -o /var/tmp/from_scwrl_1396755978.pdb > /var/tmp/scwrl_1396755978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1396755978.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1853026070.pdb -s /var/tmp/to_scwrl_1853026070.seq -o /var/tmp/from_scwrl_1853026070.pdb > /var/tmp/scwrl_1853026070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853026070.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2112089297.pdb -s /var/tmp/to_scwrl_2112089297.seq -o /var/tmp/from_scwrl_2112089297.pdb > /var/tmp/scwrl_2112089297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2112089297.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 T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1421547049.pdb -s /var/tmp/to_scwrl_1421547049.seq -o /var/tmp/from_scwrl_1421547049.pdb > /var/tmp/scwrl_1421547049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421547049.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_155391543.pdb -s /var/tmp/to_scwrl_155391543.seq -o /var/tmp/from_scwrl_155391543.pdb > /var/tmp/scwrl_155391543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155391543.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 14 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_252166566.pdb -s /var/tmp/to_scwrl_252166566.seq -o /var/tmp/from_scwrl_252166566.pdb > /var/tmp/scwrl_252166566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252166566.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 25 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1849983313.pdb -s /var/tmp/to_scwrl_1849983313.seq -o /var/tmp/from_scwrl_1849983313.pdb > /var/tmp/scwrl_1849983313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849983313.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 55 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_734558237.pdb -s /var/tmp/to_scwrl_734558237.seq -o /var/tmp/from_scwrl_734558237.pdb > /var/tmp/scwrl_734558237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734558237.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 # Found a chain break before 12 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_155088724.pdb -s /var/tmp/to_scwrl_155088724.seq -o /var/tmp/from_scwrl_155088724.pdb > /var/tmp/scwrl_155088724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155088724.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 18 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_956794811.pdb -s /var/tmp/to_scwrl_956794811.seq -o /var/tmp/from_scwrl_956794811.pdb > /var/tmp/scwrl_956794811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956794811.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 46 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2001121384.pdb -s /var/tmp/to_scwrl_2001121384.seq -o /var/tmp/from_scwrl_2001121384.pdb > /var/tmp/scwrl_2001121384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2001121384.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 44 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_994601288.pdb -s /var/tmp/to_scwrl_994601288.seq -o /var/tmp/from_scwrl_994601288.pdb > /var/tmp/scwrl_994601288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994601288.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 38 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1767820218.pdb -s /var/tmp/to_scwrl_1767820218.seq -o /var/tmp/from_scwrl_1767820218.pdb > /var/tmp/scwrl_1767820218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767820218.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 67 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_722861319.pdb -s /var/tmp/to_scwrl_722861319.seq -o /var/tmp/from_scwrl_722861319.pdb > /var/tmp/scwrl_722861319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_722861319.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 42 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1867676810.pdb -s /var/tmp/to_scwrl_1867676810.seq -o /var/tmp/from_scwrl_1867676810.pdb > /var/tmp/scwrl_1867676810.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867676810.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1851710302.pdb -s /var/tmp/to_scwrl_1851710302.seq -o /var/tmp/from_scwrl_1851710302.pdb > /var/tmp/scwrl_1851710302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851710302.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 14 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_37493211.pdb -s /var/tmp/to_scwrl_37493211.seq -o /var/tmp/from_scwrl_37493211.pdb > /var/tmp/scwrl_37493211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_37493211.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 40 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_376961185.pdb -s /var/tmp/to_scwrl_376961185.seq -o /var/tmp/from_scwrl_376961185.pdb > /var/tmp/scwrl_376961185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376961185.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 37 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_276237697.pdb -s /var/tmp/to_scwrl_276237697.seq -o /var/tmp/from_scwrl_276237697.pdb > /var/tmp/scwrl_276237697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_276237697.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 51 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_916611166.pdb -s /var/tmp/to_scwrl_916611166.seq -o /var/tmp/from_scwrl_916611166.pdb > /var/tmp/scwrl_916611166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916611166.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_228964704.pdb -s /var/tmp/to_scwrl_228964704.seq -o /var/tmp/from_scwrl_228964704.pdb > /var/tmp/scwrl_228964704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228964704.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 62 ; scwrl -i /var/tmp/to_scwrl_2081302608.pdb -s /var/tmp/to_scwrl_2081302608.seq -o /var/tmp/from_scwrl_2081302608.pdb > /var/tmp/scwrl_2081302608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081302608.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_951778661.pdb -s /var/tmp/to_scwrl_951778661.seq -o /var/tmp/from_scwrl_951778661.pdb > /var/tmp/scwrl_951778661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951778661.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 45 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1757757658.pdb -s /var/tmp/to_scwrl_1757757658.seq -o /var/tmp/from_scwrl_1757757658.pdb > /var/tmp/scwrl_1757757658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757757658.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1773818663.pdb -s /var/tmp/to_scwrl_1773818663.seq -o /var/tmp/from_scwrl_1773818663.pdb > /var/tmp/scwrl_1773818663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773818663.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1707393316.pdb -s /var/tmp/to_scwrl_1707393316.seq -o /var/tmp/from_scwrl_1707393316.pdb > /var/tmp/scwrl_1707393316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1707393316.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1006225395.pdb -s /var/tmp/to_scwrl_1006225395.seq -o /var/tmp/from_scwrl_1006225395.pdb > /var/tmp/scwrl_1006225395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1006225395.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1920872997.pdb -s /var/tmp/to_scwrl_1920872997.seq -o /var/tmp/from_scwrl_1920872997.pdb > /var/tmp/scwrl_1920872997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1920872997.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_559494102.pdb -s /var/tmp/to_scwrl_559494102.seq -o /var/tmp/from_scwrl_559494102.pdb > /var/tmp/scwrl_559494102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559494102.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1585159791.pdb -s /var/tmp/to_scwrl_1585159791.seq -o /var/tmp/from_scwrl_1585159791.pdb > /var/tmp/scwrl_1585159791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1585159791.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1733436697.pdb -s /var/tmp/to_scwrl_1733436697.seq -o /var/tmp/from_scwrl_1733436697.pdb > /var/tmp/scwrl_1733436697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733436697.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1956250080.pdb -s /var/tmp/to_scwrl_1956250080.seq -o /var/tmp/from_scwrl_1956250080.pdb > /var/tmp/scwrl_1956250080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956250080.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1290702214.pdb -s /var/tmp/to_scwrl_1290702214.seq -o /var/tmp/from_scwrl_1290702214.pdb > /var/tmp/scwrl_1290702214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1290702214.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1698042347.pdb -s /var/tmp/to_scwrl_1698042347.seq -o /var/tmp/from_scwrl_1698042347.pdb > /var/tmp/scwrl_1698042347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1698042347.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1230313482.pdb -s /var/tmp/to_scwrl_1230313482.seq -o /var/tmp/from_scwrl_1230313482.pdb > /var/tmp/scwrl_1230313482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1230313482.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1446093757.pdb -s /var/tmp/to_scwrl_1446093757.seq -o /var/tmp/from_scwrl_1446093757.pdb > /var/tmp/scwrl_1446093757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1446093757.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1950208913.pdb -s /var/tmp/to_scwrl_1950208913.seq -o /var/tmp/from_scwrl_1950208913.pdb > /var/tmp/scwrl_1950208913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1950208913.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_932813149.pdb -s /var/tmp/to_scwrl_932813149.seq -o /var/tmp/from_scwrl_932813149.pdb > /var/tmp/scwrl_932813149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_932813149.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_33168347.pdb -s /var/tmp/to_scwrl_33168347.seq -o /var/tmp/from_scwrl_33168347.pdb > /var/tmp/scwrl_33168347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_33168347.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2105297637.pdb -s /var/tmp/to_scwrl_2105297637.seq -o /var/tmp/from_scwrl_2105297637.pdb > /var/tmp/scwrl_2105297637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105297637.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1889607959.pdb -s /var/tmp/to_scwrl_1889607959.seq -o /var/tmp/from_scwrl_1889607959.pdb > /var/tmp/scwrl_1889607959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1889607959.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 9 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2034289731.pdb -s /var/tmp/to_scwrl_2034289731.seq -o /var/tmp/from_scwrl_2034289731.pdb > /var/tmp/scwrl_2034289731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2034289731.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 41 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_952415278.pdb -s /var/tmp/to_scwrl_952415278.seq -o /var/tmp/from_scwrl_952415278.pdb > /var/tmp/scwrl_952415278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_952415278.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 9 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1509944530.pdb -s /var/tmp/to_scwrl_1509944530.seq -o /var/tmp/from_scwrl_1509944530.pdb > /var/tmp/scwrl_1509944530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1509944530.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 31 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_609667403.pdb -s /var/tmp/to_scwrl_609667403.seq -o /var/tmp/from_scwrl_609667403.pdb > /var/tmp/scwrl_609667403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_609667403.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 34 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_672608442.pdb -s /var/tmp/to_scwrl_672608442.seq -o /var/tmp/from_scwrl_672608442.pdb > /var/tmp/scwrl_672608442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_672608442.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1214171185.pdb -s /var/tmp/to_scwrl_1214171185.seq -o /var/tmp/from_scwrl_1214171185.pdb > /var/tmp/scwrl_1214171185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1214171185.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 9 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_647160614.pdb -s /var/tmp/to_scwrl_647160614.seq -o /var/tmp/from_scwrl_647160614.pdb > /var/tmp/scwrl_647160614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_647160614.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 35 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1049569627.pdb -s /var/tmp/to_scwrl_1049569627.seq -o /var/tmp/from_scwrl_1049569627.pdb > /var/tmp/scwrl_1049569627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049569627.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1490408883.pdb -s /var/tmp/to_scwrl_1490408883.seq -o /var/tmp/from_scwrl_1490408883.pdb > /var/tmp/scwrl_1490408883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490408883.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1563771780.pdb -s /var/tmp/to_scwrl_1563771780.seq -o /var/tmp/from_scwrl_1563771780.pdb > /var/tmp/scwrl_1563771780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563771780.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 48 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1278534330.pdb -s /var/tmp/to_scwrl_1278534330.seq -o /var/tmp/from_scwrl_1278534330.pdb > /var/tmp/scwrl_1278534330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1278534330.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 37 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1424227844.pdb -s /var/tmp/to_scwrl_1424227844.seq -o /var/tmp/from_scwrl_1424227844.pdb > /var/tmp/scwrl_1424227844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1424227844.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 36 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_368066794.pdb -s /var/tmp/to_scwrl_368066794.seq -o /var/tmp/from_scwrl_368066794.pdb > /var/tmp/scwrl_368066794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_368066794.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 41 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_888808343.pdb -s /var/tmp/to_scwrl_888808343.seq -o /var/tmp/from_scwrl_888808343.pdb > /var/tmp/scwrl_888808343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888808343.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 43 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1050562861.pdb -s /var/tmp/to_scwrl_1050562861.seq -o /var/tmp/from_scwrl_1050562861.pdb > /var/tmp/scwrl_1050562861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050562861.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2075460111.pdb -s /var/tmp/to_scwrl_2075460111.seq -o /var/tmp/from_scwrl_2075460111.pdb > /var/tmp/scwrl_2075460111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2075460111.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1895033737.pdb -s /var/tmp/to_scwrl_1895033737.seq -o /var/tmp/from_scwrl_1895033737.pdb > /var/tmp/scwrl_1895033737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895033737.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_823952211.pdb -s /var/tmp/to_scwrl_823952211.seq -o /var/tmp/from_scwrl_823952211.pdb > /var/tmp/scwrl_823952211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_823952211.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_487470566.pdb -s /var/tmp/to_scwrl_487470566.seq -o /var/tmp/from_scwrl_487470566.pdb > /var/tmp/scwrl_487470566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_487470566.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1332709881.pdb -s /var/tmp/to_scwrl_1332709881.seq -o /var/tmp/from_scwrl_1332709881.pdb > /var/tmp/scwrl_1332709881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332709881.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_409905261.pdb -s /var/tmp/to_scwrl_409905261.seq -o /var/tmp/from_scwrl_409905261.pdb > /var/tmp/scwrl_409905261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409905261.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_296236999.pdb -s /var/tmp/to_scwrl_296236999.seq -o /var/tmp/from_scwrl_296236999.pdb > /var/tmp/scwrl_296236999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296236999.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_475928449.pdb -s /var/tmp/to_scwrl_475928449.seq -o /var/tmp/from_scwrl_475928449.pdb > /var/tmp/scwrl_475928449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_475928449.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2107947608.pdb -s /var/tmp/to_scwrl_2107947608.seq -o /var/tmp/from_scwrl_2107947608.pdb > /var/tmp/scwrl_2107947608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107947608.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1526550481.pdb -s /var/tmp/to_scwrl_1526550481.seq -o /var/tmp/from_scwrl_1526550481.pdb > /var/tmp/scwrl_1526550481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526550481.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1922022206.pdb -s /var/tmp/to_scwrl_1922022206.seq -o /var/tmp/from_scwrl_1922022206.pdb > /var/tmp/scwrl_1922022206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1922022206.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1910672875.pdb -s /var/tmp/to_scwrl_1910672875.seq -o /var/tmp/from_scwrl_1910672875.pdb > /var/tmp/scwrl_1910672875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910672875.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 60 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_311879983.pdb -s /var/tmp/to_scwrl_311879983.seq -o /var/tmp/from_scwrl_311879983.pdb > /var/tmp/scwrl_311879983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311879983.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 64 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1955190553.pdb -s /var/tmp/to_scwrl_1955190553.seq -o /var/tmp/from_scwrl_1955190553.pdb > /var/tmp/scwrl_1955190553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1955190553.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 54 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1868486865.pdb -s /var/tmp/to_scwrl_1868486865.seq -o /var/tmp/from_scwrl_1868486865.pdb > /var/tmp/scwrl_1868486865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1868486865.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 65 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_54004295.pdb -s /var/tmp/to_scwrl_54004295.seq -o /var/tmp/from_scwrl_54004295.pdb > /var/tmp/scwrl_54004295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_54004295.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1841996638.pdb -s /var/tmp/to_scwrl_1841996638.seq -o /var/tmp/from_scwrl_1841996638.pdb > /var/tmp/scwrl_1841996638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841996638.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 T0348 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_673418497.pdb -s /var/tmp/to_scwrl_673418497.seq -o /var/tmp/from_scwrl_673418497.pdb > /var/tmp/scwrl_673418497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_673418497.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1563948826.pdb -s /var/tmp/to_scwrl_1563948826.seq -o /var/tmp/from_scwrl_1563948826.pdb > /var/tmp/scwrl_1563948826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563948826.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 T0348 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_304180394.pdb -s /var/tmp/to_scwrl_304180394.seq -o /var/tmp/from_scwrl_304180394.pdb > /var/tmp/scwrl_304180394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_304180394.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1346026938.pdb -s /var/tmp/to_scwrl_1346026938.seq -o /var/tmp/from_scwrl_1346026938.pdb > /var/tmp/scwrl_1346026938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1346026938.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 T0348 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_630636365.pdb -s /var/tmp/to_scwrl_630636365.seq -o /var/tmp/from_scwrl_630636365.pdb > /var/tmp/scwrl_630636365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630636365.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_951341009.pdb -s /var/tmp/to_scwrl_951341009.seq -o /var/tmp/from_scwrl_951341009.pdb > /var/tmp/scwrl_951341009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951341009.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 54 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_248112918.pdb -s /var/tmp/to_scwrl_248112918.seq -o /var/tmp/from_scwrl_248112918.pdb > /var/tmp/scwrl_248112918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_248112918.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_2121045248.pdb -s /var/tmp/to_scwrl_2121045248.seq -o /var/tmp/from_scwrl_2121045248.pdb > /var/tmp/scwrl_2121045248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2121045248.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 42 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_367629142.pdb -s /var/tmp/to_scwrl_367629142.seq -o /var/tmp/from_scwrl_367629142.pdb > /var/tmp/scwrl_367629142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_367629142.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 42 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1526647248.pdb -s /var/tmp/to_scwrl_1526647248.seq -o /var/tmp/from_scwrl_1526647248.pdb > /var/tmp/scwrl_1526647248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526647248.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 49 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1397789446.pdb -s /var/tmp/to_scwrl_1397789446.seq -o /var/tmp/from_scwrl_1397789446.pdb > /var/tmp/scwrl_1397789446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1397789446.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_735695936.pdb -s /var/tmp/to_scwrl_735695936.seq -o /var/tmp/from_scwrl_735695936.pdb > /var/tmp/scwrl_735695936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_735695936.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_267971944.pdb -s /var/tmp/to_scwrl_267971944.seq -o /var/tmp/from_scwrl_267971944.pdb > /var/tmp/scwrl_267971944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_267971944.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_300868660.pdb -s /var/tmp/to_scwrl_300868660.seq -o /var/tmp/from_scwrl_300868660.pdb > /var/tmp/scwrl_300868660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300868660.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_663672400.pdb -s /var/tmp/to_scwrl_663672400.seq -o /var/tmp/from_scwrl_663672400.pdb > /var/tmp/scwrl_663672400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663672400.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_15522035.pdb -s /var/tmp/to_scwrl_15522035.seq -o /var/tmp/from_scwrl_15522035.pdb > /var/tmp/scwrl_15522035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_15522035.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1124820871.pdb -s /var/tmp/to_scwrl_1124820871.seq -o /var/tmp/from_scwrl_1124820871.pdb > /var/tmp/scwrl_1124820871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1124820871.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1151142965.pdb -s /var/tmp/to_scwrl_1151142965.seq -o /var/tmp/from_scwrl_1151142965.pdb > /var/tmp/scwrl_1151142965.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1151142965.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 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1348231916.pdb -s /var/tmp/to_scwrl_1348231916.seq -o /var/tmp/from_scwrl_1348231916.pdb > /var/tmp/scwrl_1348231916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1348231916.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 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1534726132.pdb -s /var/tmp/to_scwrl_1534726132.seq -o /var/tmp/from_scwrl_1534726132.pdb > /var/tmp/scwrl_1534726132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1534726132.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 62 ; scwrl -i /var/tmp/to_scwrl_1447379964.pdb -s /var/tmp/to_scwrl_1447379964.seq -o /var/tmp/from_scwrl_1447379964.pdb > /var/tmp/scwrl_1447379964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1447379964.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1824160366.pdb -s /var/tmp/to_scwrl_1824160366.seq -o /var/tmp/from_scwrl_1824160366.pdb > /var/tmp/scwrl_1824160366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1824160366.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 62 ; scwrl -i /var/tmp/to_scwrl_1495190094.pdb -s /var/tmp/to_scwrl_1495190094.seq -o /var/tmp/from_scwrl_1495190094.pdb > /var/tmp/scwrl_1495190094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1495190094.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 T0348 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_826446799.pdb -s /var/tmp/to_scwrl_826446799.seq -o /var/tmp/from_scwrl_826446799.pdb > /var/tmp/scwrl_826446799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826446799.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1598698925.pdb -s /var/tmp/to_scwrl_1598698925.seq -o /var/tmp/from_scwrl_1598698925.pdb > /var/tmp/scwrl_1598698925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598698925.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1258379322.pdb -s /var/tmp/to_scwrl_1258379322.seq -o /var/tmp/from_scwrl_1258379322.pdb > /var/tmp/scwrl_1258379322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258379322.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1138326781.pdb -s /var/tmp/to_scwrl_1138326781.seq -o /var/tmp/from_scwrl_1138326781.pdb > /var/tmp/scwrl_1138326781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1138326781.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1406405832.pdb -s /var/tmp/to_scwrl_1406405832.seq -o /var/tmp/from_scwrl_1406405832.pdb > /var/tmp/scwrl_1406405832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406405832.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_979382541.pdb -s /var/tmp/to_scwrl_979382541.seq -o /var/tmp/from_scwrl_979382541.pdb > /var/tmp/scwrl_979382541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979382541.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl -i /var/tmp/to_scwrl_1192331077.pdb -s /var/tmp/to_scwrl_1192331077.seq -o /var/tmp/from_scwrl_1192331077.pdb > /var/tmp/scwrl_1192331077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192331077.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 22.039 sec, elapsed time= 187.740 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 624.813 real_cost = 221.537 shub_TS1 costs 611.261 real_cost = 197.515 nFOLD_TS5-scwrl costs 557.940 real_cost = 292.196 nFOLD_TS5 costs 2293.750 real_cost = 323.734 nFOLD_TS4-scwrl costs 599.438 real_cost = 321.379 nFOLD_TS4 costs 1514.485 real_cost = 340.098 nFOLD_TS3-scwrl costs 597.974 real_cost = 318.323 nFOLD_TS3 costs 1875.964 real_cost = 347.849 nFOLD_TS2-scwrl costs 694.824 real_cost = 272.783 nFOLD_TS2 costs 2010.325 real_cost = 285.627 nFOLD_TS1-scwrl costs 584.948 real_cost = 337.537 nFOLD_TS1 costs 17530.471 real_cost = 366.626 mGen-3D_TS1-scwrl costs 473.247 real_cost = 226.455 mGen-3D_TS1 costs 1872.709 real_cost = 258.704 keasar-server_TS5-scwrl costs 438.236 real_cost = 162.993 keasar-server_TS5 costs 440.048 real_cost = 199.219 keasar-server_TS4-scwrl costs 443.047 real_cost = 159.888 keasar-server_TS4 costs 446.304 real_cost = 173.347 keasar-server_TS3-scwrl costs 462.409 real_cost = 180.110 keasar-server_TS3 costs 464.560 real_cost = 184.459 keasar-server_TS2-scwrl costs 436.367 real_cost = 125.129 keasar-server_TS2 costs 439.397 real_cost = 153.790 keasar-server_TS1-scwrl costs 432.804 real_cost = 146.171 keasar-server_TS1 costs 435.296 real_cost = 160.769 karypis.srv_TS5-scwrl costs 587.655 real_cost = 319.709 karypis.srv_TS5 costs 581.980 real_cost = 317.914 karypis.srv_TS4-scwrl costs 618.226 real_cost = 345.616 karypis.srv_TS4 costs 614.937 real_cost = 345.247 karypis.srv_TS3-scwrl costs 612.823 real_cost = 312.694 karypis.srv_TS3 costs 609.444 real_cost = 308.853 karypis.srv_TS2-scwrl costs 603.760 real_cost = 331.371 karypis.srv_TS2 costs 599.461 real_cost = 329.236 karypis.srv_TS1-scwrl costs 506.633 real_cost = 314.399 karypis.srv_TS1 costs 499.694 real_cost = 312.399 karypis.srv.4_TS3-scwrl costs 522.566 real_cost = 210.298 karypis.srv.4_TS3 costs 521.071 real_cost = 208.468 karypis.srv.4_TS1-scwrl costs 542.614 real_cost = 310.245 karypis.srv.4_TS1 costs 542.614 real_cost = 310.245 karypis.srv.2_TS5-scwrl costs 450.354 real_cost = 267.699 karypis.srv.2_TS5 costs 450.354 real_cost = 267.699 karypis.srv.2_TS4-scwrl costs 437.022 real_cost = 300.291 karypis.srv.2_TS4 costs 435.840 real_cost = 300.304 karypis.srv.2_TS3-scwrl costs 425.298 real_cost = 235.415 karypis.srv.2_TS3 costs 423.672 real_cost = 235.419 karypis.srv.2_TS2-scwrl costs 474.919 real_cost = 272.466 karypis.srv.2_TS2 costs 475.073 real_cost = 272.398 karypis.srv.2_TS1-scwrl costs 435.674 real_cost = 299.253 karypis.srv.2_TS1 costs 434.831 real_cost = 299.253 forecast-s_AL5-scwrl costs 608.430 real_cost = 302.742 forecast-s_AL5 costs 19522.506 real_cost = 353.997 forecast-s_AL4-scwrl costs 624.124 real_cost = 338.916 forecast-s_AL4 costs 6536.168 real_cost = 365.701 forecast-s_AL3-scwrl costs 555.869 real_cost = 283.967 forecast-s_AL3 costs 32119.758 real_cost = 336.913 forecast-s_AL2-scwrl costs 705.064 real_cost = 302.280 forecast-s_AL2 costs 306463.886 real_cost = 344.818 forecast-s_AL1-scwrl costs 615.089 real_cost = 307.495 forecast-s_AL1 costs 23374.683 real_cost = 354.337 beautshotbase_TS1-scwrl costs 689.162 real_cost = 158.107 beautshotbase_TS1 costs 688.008 real_cost = 126.859 beautshot_TS1-scwrl costs 502.702 real_cost = 159.572 beautshot_TS1 costs 505.832 real_cost = 161.594 Zhang-Server_TS5-scwrl costs 491.872 real_cost = 193.588 Zhang-Server_TS5 costs 461.779 real_cost = 196.983 Zhang-Server_TS4-scwrl costs 481.395 real_cost = 255.245 Zhang-Server_TS4 costs 478.161 real_cost = 255.385 Zhang-Server_TS3-scwrl costs 562.709 real_cost = 152.365 Zhang-Server_TS3 costs 535.061 real_cost = 153.585 Zhang-Server_TS2-scwrl costs 470.322 real_cost = 157.171 Zhang-Server_TS2 costs 469.355 real_cost = 159.693 Zhang-Server_TS1-scwrl costs 472.791 real_cost = 192.392 Zhang-Server_TS1 costs 478.269 real_cost = 193.993 UNI-EID_sfst_AL5-scwrl costs 767.300 real_cost = 330.125 UNI-EID_sfst_AL5 costs 108127.525 real_cost = 240.927 UNI-EID_sfst_AL4-scwrl costs 663.908 real_cost = 278.736 UNI-EID_sfst_AL4 costs 1748.795 real_cost = 314.110 UNI-EID_sfst_AL3-scwrl costs 709.842 real_cost = 280.521 UNI-EID_sfst_AL3 costs 19077.218 real_cost = 306.012 UNI-EID_sfst_AL2-scwrl costs 650.326 real_cost = 244.872 UNI-EID_sfst_AL2 costs 7413.367 real_cost = 271.441 UNI-EID_sfst_AL1-scwrl costs 589.229 real_cost = 175.344 UNI-EID_sfst_AL1 costs 16123.577 real_cost = 154.684 UNI-EID_expm_TS1-scwrl costs 642.502 real_cost = 130.917 UNI-EID_expm_TS1 costs 6267.130 real_cost = 126.808 UNI-EID_bnmx_TS5-scwrl costs 604.238 real_cost = 123.654 UNI-EID_bnmx_TS5 costs 87393.086 real_cost = 151.976 UNI-EID_bnmx_TS4-scwrl costs 616.877 real_cost = 214.958 UNI-EID_bnmx_TS4 costs 147868.640 real_cost = 232.262 UNI-EID_bnmx_TS3-scwrl costs 598.421 real_cost = 245.777 UNI-EID_bnmx_TS3 costs 3360.023 real_cost = 287.671 UNI-EID_bnmx_TS2-scwrl costs 690.391 real_cost = 186.234 UNI-EID_bnmx_TS2 costs 5376.697 real_cost = 210.034 UNI-EID_bnmx_TS1-scwrl costs 636.084 real_cost = 194.610 UNI-EID_bnmx_TS1 costs 7445.702 real_cost = 222.685 SPARKS2_TS5-scwrl costs 418.366 real_cost = 282.622 SPARKS2_TS5 costs 429.643 real_cost = 280.765 SPARKS2_TS4-scwrl costs 399.098 real_cost = 282.028 SPARKS2_TS4 costs 409.752 real_cost = 281.916 SPARKS2_TS3-scwrl costs 501.004 real_cost = 184.887 SPARKS2_TS3 costs 512.128 real_cost = 191.493 SPARKS2_TS2-scwrl costs 409.398 real_cost = 255.067 SPARKS2_TS2 costs 412.953 real_cost = 261.888 SPARKS2_TS1-scwrl costs 436.272 real_cost = 271.040 SPARKS2_TS1 costs 436.669 real_cost = 270.122 SP4_TS5-scwrl costs 480.631 real_cost = 290.902 SP4_TS5 costs 490.151 real_cost = 289.276 SP4_TS4-scwrl costs 465.092 real_cost = 177.242 SP4_TS4 costs 476.071 real_cost = 198.107 SP4_TS3-scwrl costs 493.422 real_cost = 142.333 SP4_TS3 costs 500.830 real_cost = 151.456 SP4_TS2-scwrl costs 414.494 real_cost = 232.507 SP4_TS2 costs 421.457 real_cost = 233.789 SP4_TS1-scwrl costs 416.286 real_cost = 272.254 SP4_TS1 costs 419.701 real_cost = 272.298 SP3_TS5-scwrl costs 500.678 real_cost = 161.088 SP3_TS5 costs 496.742 real_cost = 173.262 SP3_TS4-scwrl costs 468.387 real_cost = 153.878 SP3_TS4 costs 474.473 real_cost = 136.991 SP3_TS3-scwrl costs 414.494 real_cost = 232.507 SP3_TS3 costs 421.457 real_cost = 233.789 SP3_TS2-scwrl costs 491.436 real_cost = 180.622 SP3_TS2 costs 508.051 real_cost = 182.447 SP3_TS1-scwrl costs 412.958 real_cost = 266.844 SP3_TS1 costs 417.710 real_cost = 267.699 SAM_T06_server_TS5-scwrl costs 638.486 real_cost = 65.178 SAM_T06_server_TS5 costs 632.323 real_cost = 34.260 SAM_T06_server_TS4-scwrl costs 663.821 real_cost = 107.942 SAM_T06_server_TS4 costs 654.972 real_cost = 131.432 SAM_T06_server_TS3-scwrl costs 486.333 real_cost = 228.333 SAM_T06_server_TS3 costs 477.497 real_cost = 218.392 SAM_T06_server_TS2-scwrl costs 663.115 real_cost = 264.440 SAM_T06_server_TS2 costs 632.055 real_cost = 226.959 SAM_T06_server_TS1-scwrl costs 335.466 real_cost = 99.817 SAM_T06_server_TS1 costs 328.029 real_cost = 92.636 SAM-T99_AL1-scwrl costs 698.478 real_cost = 215.047 SAM-T99_AL1 costs 1516.076 real_cost = 228.792 SAM-T02_AL5-scwrl costs 712.014 real_cost = 207.098 SAM-T02_AL5 costs 115942.335 real_cost = 160.430 SAM-T02_AL4-scwrl costs 668.239 real_cost = 110.636 SAM-T02_AL4 costs 1576.056 real_cost = 146.679 SAM-T02_AL3-scwrl costs 665.274 real_cost = 181.777 SAM-T02_AL3 costs 1516.120 real_cost = 160.667 SAM-T02_AL2-scwrl costs 671.260 real_cost = 218.857 SAM-T02_AL2 costs 1257.185 real_cost = 179.699 SAM-T02_AL1-scwrl costs 703.876 real_cost = 170.403 SAM-T02_AL1 costs 1331.937 real_cost = 183.278 ROKKY_TS5-scwrl costs 405.622 real_cost = 205.132 ROKKY_TS5 costs 3025.526 real_cost = 260.276 ROKKY_TS4-scwrl costs 377.522 real_cost = 117.245 ROKKY_TS4 costs 2925.989 real_cost = 171.108 ROKKY_TS3-scwrl costs 389.670 real_cost = 99.822 ROKKY_TS3 costs 5069.196 real_cost = 150.272 ROKKY_TS2-scwrl costs 376.810 real_cost = 121.408 ROKKY_TS2 costs 3162.141 real_cost = 174.307 ROKKY_TS1-scwrl costs 394.958 real_cost = 147.935 ROKKY_TS1 costs 3266.844 real_cost = 196.176 ROBETTA_TS5-scwrl costs 362.122 real_cost = 97.426 ROBETTA_TS5 costs 362.562 real_cost = 96.994 ROBETTA_TS4-scwrl costs 369.705 real_cost = 31.856 ROBETTA_TS4 costs 366.105 real_cost = 27.808 ROBETTA_TS3-scwrl costs 361.764 real_cost = 74.788 ROBETTA_TS3 costs 357.703 real_cost = 77.844 ROBETTA_TS2-scwrl costs 370.403 real_cost = 147.477 ROBETTA_TS2 costs 365.538 real_cost = 148.329 ROBETTA_TS1-scwrl costs 348.436 real_cost = 36.722 ROBETTA_TS1 costs 346.284 real_cost = 31.391 RAPTOR_TS5-scwrl costs 452.213 real_cost = 247.671 RAPTOR_TS5 costs 460.156 real_cost = 249.637 RAPTOR_TS4-scwrl costs 442.253 real_cost = 275.322 RAPTOR_TS4 costs 450.839 real_cost = 275.614 RAPTOR_TS3-scwrl costs 418.138 real_cost = 288.127 RAPTOR_TS3 costs 432.069 real_cost = 288.118 RAPTOR_TS2-scwrl costs 425.367 real_cost = 252.676 RAPTOR_TS2 costs 434.098 real_cost = 251.327 RAPTOR_TS1-scwrl costs 431.578 real_cost = 224.686 RAPTOR_TS1 costs 439.953 real_cost = 221.070 RAPTORESS_TS5-scwrl costs 407.773 real_cost = 286.822 RAPTORESS_TS5 costs 417.031 real_cost = 286.522 RAPTORESS_TS4-scwrl costs 420.336 real_cost = 268.900 RAPTORESS_TS4 costs 430.357 real_cost = 272.620 RAPTORESS_TS3-scwrl costs 421.342 real_cost = 255.886 RAPTORESS_TS3 costs 431.733 real_cost = 255.999 RAPTORESS_TS2-scwrl costs 416.882 real_cost = 217.606 RAPTORESS_TS2 costs 421.988 real_cost = 217.244 RAPTORESS_TS1-scwrl costs 427.476 real_cost = 276.143 RAPTORESS_TS1 costs 439.027 real_cost = 277.563 RAPTOR-ACE_TS5-scwrl costs 416.732 real_cost = 242.467 RAPTOR-ACE_TS5 costs 431.209 real_cost = 242.510 RAPTOR-ACE_TS4-scwrl costs 406.300 real_cost = 270.730 RAPTOR-ACE_TS4 costs 418.403 real_cost = 270.705 RAPTOR-ACE_TS3-scwrl costs 412.376 real_cost = 247.246 RAPTOR-ACE_TS3 costs 424.655 real_cost = 247.798 RAPTOR-ACE_TS2-scwrl costs 430.089 real_cost = 301.942 RAPTOR-ACE_TS2 costs 436.408 real_cost = 302.185 RAPTOR-ACE_TS1-scwrl costs 420.891 real_cost = 244.777 RAPTOR-ACE_TS1 costs 428.991 real_cost = 245.319 Pmodeller6_TS5-scwrl costs 361.764 real_cost = 74.788 Pmodeller6_TS5 costs 357.703 real_cost = 77.844 Pmodeller6_TS4-scwrl costs 623.740 real_cost = 118.723 Pmodeller6_TS4 costs 614.118 real_cost = 119.261 Pmodeller6_TS3-scwrl costs 586.769 real_cost = 134.282 Pmodeller6_TS3 costs 575.948 real_cost = 137.355 Pmodeller6_TS2-scwrl costs 619.877 real_cost = 130.198 Pmodeller6_TS2 costs 611.521 real_cost = 131.569 Pmodeller6_TS1-scwrl costs 654.253 real_cost = 51.904 Pmodeller6_TS1 costs 648.163 real_cost = 57.669 Phyre-2_TS5-scwrl costs 428.512 real_cost = 247.292 Phyre-2_TS5 costs 456.453 real_cost = 245.619 Phyre-2_TS4-scwrl costs 439.011 real_cost = 179.202 Phyre-2_TS4 costs 458.537 real_cost = 180.979 Phyre-2_TS3-scwrl costs 426.507 real_cost = 237.839 Phyre-2_TS3 costs 463.768 real_cost = 237.833 Phyre-2_TS2-scwrl costs 424.222 real_cost = 202.051 Phyre-2_TS2 costs 451.267 real_cost = 198.349 Phyre-2_TS1-scwrl costs 404.813 real_cost = 160.574 Phyre-2_TS1 costs 437.039 real_cost = 162.662 Phyre-1_TS1-scwrl costs 616.258 real_cost = 190.816 Phyre-1_TS1 costs 624.220 real_cost = 189.597 Pcons6_TS5-scwrl costs 564.646 real_cost = 135.040 Pcons6_TS5 costs 554.283 real_cost = 130.610 Pcons6_TS4-scwrl costs 619.877 real_cost = 130.198 Pcons6_TS4 costs 611.521 real_cost = 131.569 Pcons6_TS3-scwrl costs 569.728 real_cost = 135.677 Pcons6_TS3 costs 557.338 real_cost = 131.099 Pcons6_TS2-scwrl costs 582.677 real_cost = 166.502 Pcons6_TS2 costs 573.095 real_cost = 162.979 Pcons6_TS1-scwrl costs 623.740 real_cost = 118.723 Pcons6_TS1 costs 614.118 real_cost = 119.261 PROTINFO_TS5-scwrl costs 615.879 real_cost = 225.472 PROTINFO_TS5 costs 611.971 real_cost = 229.168 PROTINFO_TS4-scwrl costs 390.280 real_cost = 131.084 PROTINFO_TS4 costs 404.090 real_cost = 138.741 PROTINFO_TS3-scwrl costs 421.920 real_cost = 167.873 PROTINFO_TS3 costs 426.544 real_cost = 165.114 PROTINFO_TS2-scwrl costs 587.305 real_cost = 161.962 PROTINFO_TS2 costs 584.894 real_cost = 177.005 PROTINFO_TS1-scwrl costs 387.281 real_cost = 116.832 PROTINFO_TS1 costs 397.521 real_cost = 122.297 PROTINFO-AB_TS5-scwrl costs 399.482 real_cost = 164.484 PROTINFO-AB_TS5 costs 411.344 real_cost = 169.775 PROTINFO-AB_TS4-scwrl costs 391.733 real_cost = 154.059 PROTINFO-AB_TS4 costs 405.662 real_cost = 155.001 PROTINFO-AB_TS3-scwrl costs 394.174 real_cost = 151.884 PROTINFO-AB_TS3 costs 406.346 real_cost = 152.225 PROTINFO-AB_TS2-scwrl costs 402.040 real_cost = 168.984 PROTINFO-AB_TS2 costs 411.932 real_cost = 167.933 PROTINFO-AB_TS1-scwrl costs 385.867 real_cost = 155.507 PROTINFO-AB_TS1 costs 403.236 real_cost = 154.017 POMYSL_TS5-scwrl costs 534.590 real_cost = 302.780 POMYSL_TS5 costs 544.134 real_cost = 302.840 POMYSL_TS4-scwrl costs 523.078 real_cost = 331.328 POMYSL_TS4 costs 532.998 real_cost = 331.569 POMYSL_TS3-scwrl costs 507.709 real_cost = 261.192 POMYSL_TS3 costs 526.223 real_cost = 263.367 POMYSL_TS2-scwrl costs 545.530 real_cost = 262.664 POMYSL_TS2 costs 561.612 real_cost = 297.887 POMYSL_TS1-scwrl costs 524.181 real_cost = 281.138 POMYSL_TS1 costs 546.676 real_cost = 281.506 NN_PUT_lab_TS1-scwrl costs 609.242 real_cost = 323.366 NN_PUT_lab_TS1 costs 45681.411 real_cost = 363.516 MetaTasser_TS5-scwrl costs 540.233 real_cost = 183.499 MetaTasser_TS5 costs 568.156 real_cost = 167.898 MetaTasser_TS4-scwrl costs 532.644 real_cost = 132.587 MetaTasser_TS4 costs 573.474 real_cost = 152.719 MetaTasser_TS3-scwrl costs 563.539 real_cost = 203.592 MetaTasser_TS3 costs 583.193 real_cost = 188.069 MetaTasser_TS2-scwrl costs 531.481 real_cost = 192.219 MetaTasser_TS2 costs 550.405 real_cost = 190.725 MetaTasser_TS1-scwrl costs 566.009 real_cost = 159.161 MetaTasser_TS1 costs 608.485 real_cost = 163.860 Ma-OPUS-server_TS5-scwrl costs 427.652 real_cost = 276.455 Ma-OPUS-server_TS5 costs 439.321 real_cost = 276.986 Ma-OPUS-server_TS4-scwrl costs 412.722 real_cost = 276.764 Ma-OPUS-server_TS4 costs 419.348 real_cost = 277.354 Ma-OPUS-server_TS3-scwrl costs 410.159 real_cost = 291.025 Ma-OPUS-server_TS3 costs 418.177 real_cost = 292.653 Ma-OPUS-server_TS2-scwrl costs 407.544 real_cost = 249.823 Ma-OPUS-server_TS2 costs 418.853 real_cost = 251.971 Ma-OPUS-server_TS1-scwrl costs 414.763 real_cost = 270.258 Ma-OPUS-server_TS1 costs 426.283 real_cost = 273.945 Ma-OPUS-server2_TS5-scwrl costs 452.589 real_cost = 299.913 Ma-OPUS-server2_TS5 costs 465.576 real_cost = 298.293 Ma-OPUS-server2_TS4-scwrl costs 420.876 real_cost = 244.587 Ma-OPUS-server2_TS4 costs 425.734 real_cost = 248.656 Ma-OPUS-server2_TS3-scwrl costs 445.439 real_cost = 195.355 Ma-OPUS-server2_TS3 costs 458.232 real_cost = 199.341 Ma-OPUS-server2_TS2-scwrl costs 427.652 real_cost = 276.455 Ma-OPUS-server2_TS2 costs 439.321 real_cost = 276.986 Ma-OPUS-server2_TS1-scwrl costs 414.763 real_cost = 270.258 Ma-OPUS-server2_TS1 costs 426.283 real_cost = 273.945 LOOPP_TS5-scwrl costs 500.985 real_cost = 307.463 LOOPP_TS5 costs 498.721 real_cost = 307.114 LOOPP_TS4-scwrl costs 681.815 real_cost = 256.262 LOOPP_TS4 costs 688.462 real_cost = 254.004 LOOPP_TS3-scwrl costs 496.187 real_cost = 320.276 LOOPP_TS3 costs 493.372 real_cost = 319.913 LOOPP_TS2-scwrl costs 510.185 real_cost = 314.931 LOOPP_TS2 costs 499.825 real_cost = 310.188 LOOPP_TS1-scwrl costs 590.804 real_cost = 247.012 LOOPP_TS1 costs 602.905 real_cost = 253.188 Huber-Torda-Server_TS5-scwrl costs 752.699 real_cost = 789.666 Huber-Torda-Server_TS5 costs 1381.603 real_cost = 792.666 Huber-Torda-Server_TS4-scwrl costs 762.726 real_cost = 789.666 Huber-Torda-Server_TS4 costs 1854.185 real_cost = 792.666 Huber-Torda-Server_TS3-scwrl costs 744.618 real_cost = 789.666 Huber-Torda-Server_TS3 costs 908.673 real_cost = 792.666 Huber-Torda-Server_TS2-scwrl costs 748.433 real_cost = 789.666 Huber-Torda-Server_TS2 costs 1164.557 real_cost = 792.666 Huber-Torda-Server_TS1-scwrl costs 792.626 real_cost = 789.666 Huber-Torda-Server_TS1 costs 7811.286 real_cost = 792.666 HHpred3_TS1-scwrl costs 498.255 real_cost = 152.163 HHpred3_TS1 costs 512.527 real_cost = 148.950 HHpred2_TS1-scwrl costs 511.765 real_cost = 91.749 HHpred2_TS1 costs 523.038 real_cost = 90.356 HHpred1_TS1-scwrl costs 511.765 real_cost = 91.749 HHpred1_TS1 costs 523.038 real_cost = 90.356 GeneSilicoMetaServer_TS5-scwrl costs 597.805 real_cost = 228.464 GeneSilicoMetaServer_TS5 costs 595.136 real_cost = 208.954 GeneSilicoMetaServer_TS4-scwrl costs 671.458 real_cost = 121.337 GeneSilicoMetaServer_TS4 costs 670.230 real_cost = 107.350 GeneSilicoMetaServer_TS3-scwrl costs 688.133 real_cost = 166.013 GeneSilicoMetaServer_TS3 costs 699.665 real_cost = 127.736 GeneSilicoMetaServer_TS2-scwrl costs 467.298 real_cost = 90.443 GeneSilicoMetaServer_TS2 costs 478.719 real_cost = 104.099 GeneSilicoMetaServer_TS1-scwrl costs 583.379 real_cost = 169.055 GeneSilicoMetaServer_TS1 costs 581.433 real_cost = 163.443 Frankenstein_TS2-scwrl costs 456.586 real_cost = 307.096 Frankenstein_TS2 costs 464.868 real_cost = 307.048 Frankenstein_TS1-scwrl costs 512.135 real_cost = 316.881 Frankenstein_TS1 costs 519.671 real_cost = 316.881 FUNCTION_TS5-scwrl costs 506.116 real_cost = 299.326 FUNCTION_TS5 costs 503.405 real_cost = 299.565 FUNCTION_TS4-scwrl costs 450.685 real_cost = 295.548 FUNCTION_TS4 costs 445.658 real_cost = 295.674 FUNCTION_TS3-scwrl costs 484.516 real_cost = 268.248 FUNCTION_TS3 costs 490.523 real_cost = 268.123 FUNCTION_TS2-scwrl costs 438.571 real_cost = 273.272 FUNCTION_TS2 costs 445.996 real_cost = 273.377 FUNCTION_TS1-scwrl costs 593.574 real_cost = 218.557 FUNCTION_TS1 costs 575.011 real_cost = 230.286 FUGUE_AL5-scwrl costs 631.100 real_cost = 285.580 FUGUE_AL5 costs 8014.205 real_cost = 315.732 FUGUE_AL4-scwrl costs 811.944 real_cost = 337.183 FUGUE_AL4 costs 5321.112 real_cost = 337.183 FUGUE_AL3-scwrl costs 907.284 real_cost = 370.577 FUGUE_AL3 costs 4294.425 real_cost = 370.577 FUGUE_AL2-scwrl costs 871.933 real_cost = 329.869 FUGUE_AL2 costs 27803.969 real_cost = 329.869 FUGUE_AL1-scwrl costs 609.242 real_cost = 323.366 FUGUE_AL1 costs 45681.411 real_cost = 363.516 FUGMOD_TS5-scwrl costs 537.382 real_cost = 196.043 FUGMOD_TS5 costs 553.194 real_cost = 252.006 FUGMOD_TS4-scwrl costs 431.518 real_cost = 283.327 FUGMOD_TS4 costs 443.491 real_cost = 283.553 FUGMOD_TS3-scwrl costs 468.862 real_cost = 312.983 FUGMOD_TS3 costs 469.207 real_cost = 313.188 FUGMOD_TS2-scwrl costs 453.785 real_cost = 271.934 FUGMOD_TS2 costs 469.164 real_cost = 274.190 FUGMOD_TS1-scwrl costs 514.564 real_cost = 286.446 FUGMOD_TS1 costs 529.716 real_cost = 286.408 FPSOLVER-SERVER_TS5-scwrl costs 477.336 real_cost = 296.189 FPSOLVER-SERVER_TS5 costs 476.331 real_cost = 266.819 FPSOLVER-SERVER_TS4-scwrl costs 472.732 real_cost = 263.286 FPSOLVER-SERVER_TS4 costs 472.748 real_cost = 259.842 FPSOLVER-SERVER_TS3-scwrl costs 484.369 real_cost = 282.904 FPSOLVER-SERVER_TS3 costs 483.986 real_cost = 283.047 FPSOLVER-SERVER_TS2-scwrl costs 477.271 real_cost = 292.194 FPSOLVER-SERVER_TS2 costs 477.013 real_cost = 293.752 FPSOLVER-SERVER_TS1-scwrl costs 461.586 real_cost = 247.225 FPSOLVER-SERVER_TS1 costs 460.793 real_cost = 262.001 FORTE2_AL5-scwrl costs 535.370 real_cost = 238.206 FORTE2_AL5 costs 92117.949 real_cost = 280.201 FORTE2_AL4-scwrl costs 575.316 real_cost = 332.824 FORTE2_AL4 costs 24886.951 real_cost = 383.937 FORTE2_AL3-scwrl costs 568.774 real_cost = 318.763 FORTE2_AL3 costs 10363.087 real_cost = 345.236 FORTE2_AL2-scwrl costs 1018.685 real_cost = 387.696 FORTE2_AL2 costs 309171.034 real_cost = 387.696 FORTE2_AL1-scwrl costs 595.076 real_cost = 306.584 FORTE2_AL1 costs 43842.750 real_cost = 346.419 FORTE1_AL5-scwrl costs 585.916 real_cost = 290.418 FORTE1_AL5 costs 289457.276 real_cost = 343.969 FORTE1_AL4-scwrl costs 575.316 real_cost = 332.824 FORTE1_AL4 costs 24886.951 real_cost = 383.937 FORTE1_AL3-scwrl costs 1018.685 real_cost = 387.696 FORTE1_AL3 costs 309171.034 real_cost = 387.696 FORTE1_AL2-scwrl costs 568.774 real_cost = 318.763 FORTE1_AL2 costs 10363.087 real_cost = 345.236 FORTE1_AL1-scwrl costs 595.076 real_cost = 306.584 FORTE1_AL1 costs 43842.750 real_cost = 346.419 FOLDpro_TS5-scwrl costs 498.533 real_cost = 164.756 FOLDpro_TS5 costs 512.157 real_cost = 161.559 FOLDpro_TS4-scwrl costs 495.225 real_cost = 304.922 FOLDpro_TS4 costs 503.287 real_cost = 304.986 FOLDpro_TS3-scwrl costs 439.251 real_cost = 220.874 FOLDpro_TS3 costs 449.446 real_cost = 220.529 FOLDpro_TS2-scwrl costs 510.506 real_cost = 212.261 FOLDpro_TS2 costs 517.919 real_cost = 193.799 FOLDpro_TS1-scwrl costs 507.765 real_cost = 138.066 FOLDpro_TS1 costs 524.724 real_cost = 127.476 FAMS_TS5-scwrl costs 449.814 real_cost = 261.810 FAMS_TS5 costs 458.405 real_cost = 261.692 FAMS_TS4-scwrl costs 416.975 real_cost = 268.358 FAMS_TS4 costs 427.788 real_cost = 267.066 FAMS_TS3-scwrl costs 508.125 real_cost = 244.538 FAMS_TS3 costs 501.768 real_cost = 250.144 FAMS_TS2-scwrl costs 494.333 real_cost = 212.932 FAMS_TS2 costs 493.347 real_cost = 225.206 FAMS_TS1-scwrl costs 502.557 real_cost = 214.623 FAMS_TS1 costs 512.274 real_cost = 220.797 FAMSD_TS5-scwrl costs 431.991 real_cost = 242.307 FAMSD_TS5 costs 436.148 real_cost = 242.296 FAMSD_TS4-scwrl costs 502.505 real_cost = 317.757 FAMSD_TS4 costs 495.918 real_cost = 317.624 FAMSD_TS3-scwrl costs 468.803 real_cost = 284.206 FAMSD_TS3 costs 464.360 real_cost = 283.872 FAMSD_TS2-scwrl costs 437.626 real_cost = 158.913 FAMSD_TS2 costs 445.683 real_cost = 158.583 FAMSD_TS1-scwrl costs 453.738 real_cost = 237.079 FAMSD_TS1 costs 453.222 real_cost = 238.829 Distill_TS5-scwrl costs 1814.704 real_cost = 306.808 Distill_TS4-scwrl costs 1825.974 real_cost = 305.023 Distill_TS3-scwrl costs 1819.180 real_cost = 301.866 Distill_TS2-scwrl costs 1806.663 real_cost = 310.116 Distill_TS1-scwrl costs 1809.840 real_cost = 310.025 CaspIta-FOX_TS5-scwrl costs 585.102 real_cost = 324.293 CaspIta-FOX_TS5 costs 599.211 real_cost = 300.938 CaspIta-FOX_TS4-scwrl costs 779.685 real_cost = 272.470 CaspIta-FOX_TS4 costs 761.078 real_cost = 278.959 CaspIta-FOX_TS3-scwrl costs 569.824 real_cost = 136.489 CaspIta-FOX_TS3 costs 558.874 real_cost = 133.640 CaspIta-FOX_TS2-scwrl costs 1205.945 real_cost = 335.119 CaspIta-FOX_TS2 costs 1207.585 real_cost = 335.121 CaspIta-FOX_TS1-scwrl costs 656.833 real_cost = 367.998 CaspIta-FOX_TS1 costs 655.763 real_cost = 369.466 CIRCLE_TS5-scwrl costs 440.432 real_cost = 239.415 CIRCLE_TS5 costs 455.041 real_cost = 234.065 CIRCLE_TS4-scwrl costs 431.537 real_cost = 223.260 CIRCLE_TS4 costs 437.740 real_cost = 227.191 CIRCLE_TS3-scwrl costs 416.975 real_cost = 268.358 CIRCLE_TS3 costs 427.788 real_cost = 267.066 CIRCLE_TS2-scwrl costs 508.125 real_cost = 244.538 CIRCLE_TS2 costs 501.768 real_cost = 250.144 CIRCLE_TS1-scwrl costs 494.333 real_cost = 212.932 CIRCLE_TS1 costs 493.347 real_cost = 225.206 Bilab-ENABLE_TS5-scwrl costs 446.035 real_cost = 286.095 Bilab-ENABLE_TS5 costs 446.035 real_cost = 286.095 Bilab-ENABLE_TS4-scwrl costs 437.340 real_cost = 291.821 Bilab-ENABLE_TS4 costs 437.340 real_cost = 291.821 Bilab-ENABLE_TS3-scwrl costs 443.692 real_cost = 289.001 Bilab-ENABLE_TS3 costs 443.692 real_cost = 289.001 Bilab-ENABLE_TS2-scwrl costs 449.245 real_cost = 290.962 Bilab-ENABLE_TS2 costs 449.245 real_cost = 290.962 Bilab-ENABLE_TS1-scwrl costs 426.883 real_cost = 281.809 Bilab-ENABLE_TS1 costs 426.883 real_cost = 281.809 BayesHH_TS1-scwrl costs 510.325 real_cost = 186.307 BayesHH_TS1 costs 522.625 real_cost = 187.256 ABIpro_TS5-scwrl costs 537.414 real_cost = 238.842 ABIpro_TS5 costs 533.954 real_cost = 238.842 ABIpro_TS4-scwrl costs 444.093 real_cost = 188.960 ABIpro_TS4 costs 440.444 real_cost = 189.065 ABIpro_TS3-scwrl costs 550.018 real_cost = 194.808 ABIpro_TS3 costs 550.018 real_cost = 194.808 ABIpro_TS2-scwrl costs 482.463 real_cost = 210.385 ABIpro_TS2 costs 481.305 real_cost = 210.320 ABIpro_TS1-scwrl costs 530.697 real_cost = 225.483 ABIpro_TS1 costs 523.412 real_cost = 225.510 3Dpro_TS5-scwrl costs 482.463 real_cost = 210.385 3Dpro_TS5 costs 481.305 real_cost = 210.320 3Dpro_TS4-scwrl costs 530.697 real_cost = 225.483 3Dpro_TS4 costs 523.412 real_cost = 225.510 3Dpro_TS3-scwrl costs 507.436 real_cost = 234.910 3Dpro_TS3 costs 523.429 real_cost = 239.127 3Dpro_TS2-scwrl costs 487.023 real_cost = 286.863 3Dpro_TS2 costs 496.425 real_cost = 287.510 3Dpro_TS1-scwrl costs 477.791 real_cost = 139.932 3Dpro_TS1 costs 486.547 real_cost = 185.235 3D-JIGSAW_TS5-scwrl costs 509.458 real_cost = 299.992 3D-JIGSAW_TS5 costs 523.114 real_cost = 303.576 3D-JIGSAW_TS4-scwrl costs 515.114 real_cost = 327.002 3D-JIGSAW_TS4 costs 484.439 real_cost = 309.292 3D-JIGSAW_TS3-scwrl costs 500.461 real_cost = 274.371 3D-JIGSAW_TS3 costs 513.329 real_cost = 275.724 3D-JIGSAW_TS2-scwrl costs 679.480 real_cost = 279.204 3D-JIGSAW_TS2 costs 679.671 real_cost = 268.368 3D-JIGSAW_TS1-scwrl costs 469.088 real_cost = 266.892 3D-JIGSAW_TS1 costs 486.022 real_cost = 268.248 3D-JIGSAW_RECOM_TS5-scwrl costs 525.737 real_cost = 252.513 3D-JIGSAW_RECOM_TS5 costs 540.767 real_cost = 256.978 3D-JIGSAW_RECOM_TS4-scwrl costs 528.646 real_cost = 248.362 3D-JIGSAW_RECOM_TS4 costs 541.389 real_cost = 252.285 3D-JIGSAW_RECOM_TS3-scwrl costs 537.981 real_cost = 264.854 3D-JIGSAW_RECOM_TS3 costs 545.726 real_cost = 268.428 3D-JIGSAW_RECOM_TS2-scwrl costs 535.210 real_cost = 263.631 3D-JIGSAW_RECOM_TS2 costs 536.170 real_cost = 263.705 3D-JIGSAW_RECOM_TS1-scwrl costs 494.931 real_cost = 265.891 3D-JIGSAW_RECOM_TS1 costs 509.953 real_cost = 269.686 3D-JIGSAW_POPULUS_TS5-scwrl costs 509.665 real_cost = 332.740 3D-JIGSAW_POPULUS_TS5 costs 509.665 real_cost = 332.740 3D-JIGSAW_POPULUS_TS4-scwrl costs 497.420 real_cost = 304.776 3D-JIGSAW_POPULUS_TS4 costs 497.420 real_cost = 304.776 3D-JIGSAW_POPULUS_TS3-scwrl costs 474.147 real_cost = 277.585 3D-JIGSAW_POPULUS_TS3 costs 474.610 real_cost = 277.585 3D-JIGSAW_POPULUS_TS2-scwrl costs 480.453 real_cost = 301.603 3D-JIGSAW_POPULUS_TS2 costs 480.453 real_cost = 301.603 3D-JIGSAW_POPULUS_TS1-scwrl costs 474.101 real_cost = 312.266 3D-JIGSAW_POPULUS_TS1 costs 474.101 real_cost = 312.266 chimera-M1-K60-2-8.pdb.gz costs 320.992 real_cost = 80.303 T0348.try9-opt2.repack-nonPC.pdb.gz costs 342.438 real_cost = 123.098 T0348.try9-opt2.pdb.gz costs 338.716 real_cost = 130.075 T0348.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 350.252 real_cost = 127.269 T0348.try9-opt2.gromacs0.pdb.gz costs 349.303 real_cost = 128.867 T0348.try9-opt1.pdb.gz costs 345.011 real_cost = 132.290 T0348.try9-opt1-scwrl.pdb.gz costs 348.993 real_cost = 128.457 T0348.try8-opt2.repack-nonPC.pdb.gz costs 332.637 real_cost = 101.991 T0348.try8-opt2.pdb.gz costs 329.815 real_cost = 104.182 T0348.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 340.574 real_cost = 104.624 T0348.try8-opt2.gromacs0.pdb.gz costs 338.336 real_cost = 108.973 T0348.try8-opt1.pdb.gz costs 342.653 real_cost = 105.427 T0348.try8-opt1-scwrl.pdb.gz costs 347.139 real_cost = 101.406 T0348.try7-opt2.repack-nonPC.pdb.gz costs 345.625 real_cost = 173.869 T0348.try7-opt2.pdb.gz costs 342.518 real_cost = 175.272 T0348.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 360.580 real_cost = 170.454 T0348.try7-opt2.gromacs0.pdb.gz costs 356.919 real_cost = 177.405 T0348.try7-opt1.pdb.gz costs 347.907 real_cost = 177.027 T0348.try7-opt1-scwrl.pdb.gz costs 349.885 real_cost = 175.182 T0348.try6-opt2.repack-nonPC.pdb.gz costs 323.503 real_cost = 85.849 T0348.try6-opt2.pdb.gz costs 319.230 real_cost = 87.408 T0348.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 328.497 real_cost = 84.472 T0348.try6-opt2.gromacs0.pdb.gz costs 326.612 real_cost = 90.660 T0348.try6-opt1.pdb.gz costs 320.147 real_cost = 86.255 T0348.try6-opt1-scwrl.pdb.gz costs 328.043 real_cost = 80.744 T0348.try4-opt2.repack-nonPC.pdb.gz costs 325.008 real_cost = 81.769 T0348.try4-opt2.pdb.gz costs 320.729 real_cost = 85.690 T0348.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 330.375 real_cost = 83.154 T0348.try4-opt2.gromacs0.pdb.gz costs 327.728 real_cost = 88.034 T0348.try4-opt1.pdb.gz costs 329.257 real_cost = 87.640 T0348.try4-opt1-scwrl.pdb.gz costs 330.137 real_cost = 87.563 T0348.try3-opt2.repack-nonPC.pdb.gz costs 350.325 real_cost = 112.096 T0348.try3-opt2.pdb.gz costs 346.082 real_cost = 113.614 T0348.try3-opt2.gromacs0.pdb.gz costs 365.433 real_cost = 114.112 T0348.try3-opt1.pdb.gz costs 357.643 real_cost = 111.587 T0348.try3-opt1-scwrl.pdb.gz costs 357.220 real_cost = 112.201 T0348.try21-opt2.repack-nonPC.pdb.gz costs 325.949 real_cost = 72.817 T0348.try21-opt2.pdb.gz costs 319.218 real_cost = 76.322 T0348.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 329.988 real_cost = 80.378 T0348.try21-opt2.gromacs0.pdb.gz costs 328.357 real_cost = 81.595 T0348.try21-opt1.pdb.gz costs 321.423 real_cost = 78.124 T0348.try21-opt1-scwrl.pdb.gz costs 322.163 real_cost = 77.483 T0348.try20-opt2.repack-nonPC.pdb.gz costs 323.181 real_cost = 78.459 T0348.try20-opt2.pdb.gz costs 317.943 real_cost = 83.132 T0348.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 328.771 real_cost = 79.047 T0348.try20-opt2.gromacs0.pdb.gz costs 327.251 real_cost = 78.893 T0348.try20-opt1.pdb.gz costs 318.693 real_cost = 84.073 T0348.try20-opt1-scwrl.pdb.gz costs 322.238 real_cost = 84.604 T0348.try2-opt2.repack-nonPC.pdb.gz costs 351.544 real_cost = 105.745 T0348.try2-opt2.pdb.gz costs 346.544 real_cost = 105.585 T0348.try2-opt2.gromacs0.pdb.gz costs 361.024 real_cost = 100.763 T0348.try2-opt1.pdb.gz costs 357.013 real_cost = 111.940 T0348.try2-opt1-scwrl.pdb.gz costs 361.172 real_cost = 102.565 T0348.try19-opt2.repack-nonPC.pdb.gz costs 323.471 real_cost = 82.266 T0348.try19-opt2.pdb.gz costs 319.394 real_cost = 85.940 T0348.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 330.113 real_cost = 85.918 T0348.try19-opt2.gromacs0.pdb.gz costs 326.698 real_cost = 90.233 T0348.try19-opt1.pdb.gz costs 318.760 real_cost = 85.823 T0348.try19-opt1-scwrl.pdb.gz costs 326.667 real_cost = 83.492 T0348.try18-opt2.repack-nonPC.pdb.gz costs 323.412 real_cost = 82.606 T0348.try18-opt2.pdb.gz costs 318.943 real_cost = 82.119 T0348.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 328.946 real_cost = 81.191 T0348.try18-opt2.gromacs0.pdb.gz costs 327.404 real_cost = 80.826 T0348.try18-opt1.pdb.gz costs 320.956 real_cost = 81.462 T0348.try18-opt1-scwrl.pdb.gz costs 323.000 real_cost = 81.458 T0348.try17-opt2.repack-nonPC.pdb.gz costs 323.325 real_cost = 80.204 T0348.try17-opt2.pdb.gz costs 319.160 real_cost = 84.057 T0348.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 328.899 real_cost = 83.085 T0348.try17-opt2.gromacs0.pdb.gz costs 326.642 real_cost = 88.144 T0348.try17-opt1.pdb.gz costs 319.128 real_cost = 86.866 T0348.try17-opt1-scwrl.pdb.gz costs 327.106 real_cost = 83.782 T0348.try16-opt2.repack-nonPC.pdb.gz costs 468.606 real_cost = 147.581 T0348.try16-opt2.pdb.gz costs 499.512 real_cost = 151.790 T0348.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 431.373 real_cost = 129.408 T0348.try16-opt2.gromacs0.pdb.gz costs 441.278 real_cost = 148.424 T0348.try16-opt1.pdb.gz costs 473.435 real_cost = 166.628 T0348.try16-opt1-scwrl.pdb.gz costs 449.069 real_cost = 163.258 T0348.try15-opt2.repack-nonPC.pdb.gz costs 325.615 real_cost = 83.217 T0348.try15-opt2.pdb.gz costs 321.800 real_cost = 88.937 T0348.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 330.187 real_cost = 86.823 T0348.try15-opt2.gromacs0.pdb.gz costs 327.172 real_cost = 92.073 T0348.try15-opt1.pdb.gz costs 319.563 real_cost = 86.561 T0348.try15-opt1-scwrl.pdb.gz costs 327.788 real_cost = 85.657 T0348.try14-opt2.repack-nonPC.pdb.gz costs 490.248 real_cost = 130.402 T0348.try14-opt2.pdb.gz costs 516.342 real_cost = 124.269 T0348.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 443.487 real_cost = 99.846 T0348.try14-opt2.gromacs0.pdb.gz costs 446.323 real_cost = 132.732 T0348.try14-opt1.pdb.gz costs 432.489 real_cost = 103.636 T0348.try14-opt1-scwrl.pdb.gz costs 415.842 real_cost = 100.732 T0348.try13-opt2.repack-nonPC.pdb.gz costs 337.098 real_cost = 56.200 T0348.try13-opt2.pdb.gz costs 334.944 real_cost = 57.071 T0348.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 342.295 real_cost = 52.245 T0348.try13-opt2.gromacs0.pdb.gz costs 339.764 real_cost = 56.008 T0348.try13-opt1.pdb.gz costs 341.170 real_cost = 56.632 T0348.try13-opt1-scwrl.pdb.gz costs 341.720 real_cost = 58.171 T0348.try12-opt2.repack-nonPC.pdb.gz costs 342.307 real_cost = 100.367 T0348.try12-opt2.pdb.gz costs 339.030 real_cost = 102.079 T0348.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 352.461 real_cost = 102.924 T0348.try12-opt2.gromacs0.pdb.gz costs 349.405 real_cost = 102.878 T0348.try12-opt1.pdb.gz costs 346.817 real_cost = 103.017 T0348.try12-opt1-scwrl.pdb.gz costs 350.211 real_cost = 100.103 T0348.try11-opt2.repack-nonPC.pdb.gz costs 329.838 real_cost = 81.668 T0348.try11-opt2.pdb.gz costs 324.974 real_cost = 84.010 T0348.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 331.921 real_cost = 78.775 T0348.try11-opt2.gromacs0.pdb.gz costs 330.089 real_cost = 81.015 T0348.try11-opt1.pdb.gz costs 334.609 real_cost = 80.480 T0348.try11-opt1-scwrl.pdb.gz costs 335.266 real_cost = 80.453 T0348.try10-opt2.repack-nonPC.pdb.gz costs 349.870 real_cost = 56.312 T0348.try10-opt2.pdb.gz costs 347.168 real_cost = 57.264 T0348.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 361.316 real_cost = 57.136 T0348.try10-opt2.gromacs0.pdb.gz costs 359.893 real_cost = 58.429 T0348.try10-opt1.pdb.gz costs 353.790 real_cost = 54.576 T0348.try10-opt1-scwrl.pdb.gz costs 356.991 real_cost = 55.940 T0348.try1-opt2.repack-nonPC.pdb.gz costs 322.482 real_cost = 78.135 T0348.try1-opt2.pdb.gz costs 320.929 real_cost = 80.328 T0348.try1-opt2.gromacs0.pdb.gz costs 329.269 real_cost = 80.298 T0348.try1-opt1.pdb.gz costs 327.724 real_cost = 83.702 T0348.try1-opt1-scwrl.pdb.gz costs 328.400 real_cost = 89.707 ../model5.ts-submitted costs 346.945 real_cost = 113.604 ../model4.ts-submitted costs 318.586 real_cost = 76.332 ../model3.ts-submitted costs 318.933 real_cost = 85.568 ../model2.ts-submitted costs 331.872 real_cost = 78.306 ../model1.ts-submitted costs 317.962 real_cost = 83.445 align5 costs 680.234 real_cost = 222.324 align4 costs 648.346 real_cost = 149.130 align3 costs 658.597 real_cost = 32.216 align2 costs 802.886 real_cost = 174.368 align1 costs 545.690 real_cost = 218.094 T0348.try1-opt2.pdb costs 320.929 real_cost = 80.328 model5-scwrl costs 356.834 real_cost = 108.655 model5.ts-submitted costs 346.945 real_cost = 113.604 model4-scwrl costs 321.976 real_cost = 76.358 model4.ts-submitted costs 318.586 real_cost = 76.332 model3-scwrl costs 326.398 real_cost = 82.532 model3.ts-submitted costs 318.933 real_cost = 85.568 model2-scwrl costs 333.843 real_cost = 78.235 model2.ts-submitted costs 331.872 real_cost = 78.306 model1-scwrl costs 324.055 real_cost = 83.137 model1.ts-submitted costs 317.962 real_cost = 83.445 2hf1A costs 722.412 real_cost = -879.000 # command:CPU_time= 96.713 sec, elapsed time= 373.173 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/T0348'