make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0358' 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/T0358.} ;\ 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/T0358/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hjjA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174412840 # 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= 6.10207 sec, elapsed time= 12.53 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= 6.18206 sec, elapsed time= 12.7127 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0358 numbered 1 through 87 Created new target T0358 from T0358.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0358 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 T0358.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 T0358.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 T0358.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= 8.80966 sec, elapsed time= 20.2804 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 60 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -36.3636 # GDT_score(maxd=8,maxw=2.9)= -35.4309 # GDT_score(maxd=8,maxw=3.2)= -33.3877 # GDT_score(maxd=8,maxw=3.5)= -31.6947 # GDT_score(maxd=10,maxw=3.8)= -35.4343 # GDT_score(maxd=10,maxw=4)= -34.3135 # GDT_score(maxd=10,maxw=4.2)= -33.2568 # GDT_score(maxd=12,maxw=4.3)= -37.0309 # GDT_score(maxd=12,maxw=4.5)= -35.9238 # GDT_score(maxd=12,maxw=4.7)= -34.9109 # GDT_score(maxd=14,maxw=5.2)= -35.8504 # GDT_score(maxd=14,maxw=5.5)= -34.5561 # 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 3.355 -5.294 -8.935 1.00 0.00 ATOM 2 CA MET A 1 3.144 -5.250 -10.384 1.00 0.00 ATOM 3 CB MET A 1 3.040 -6.733 -10.934 1.00 0.00 ATOM 4 CG MET A 1 2.901 -6.880 -12.469 1.00 0.00 ATOM 5 SD MET A 1 2.450 -8.529 -13.113 1.00 0.00 ATOM 6 CE MET A 1 0.807 -8.829 -12.327 1.00 0.00 ATOM 7 O MET A 1 1.097 -3.996 -10.130 1.00 0.00 ATOM 8 C MET A 1 2.093 -4.223 -10.823 1.00 0.00 ATOM 9 N THR A 2 2.308 -3.669 -11.979 1.00 0.00 ATOM 10 CA THR A 2 1.356 -2.676 -12.460 1.00 0.00 ATOM 11 CB THR A 2 1.872 -2.080 -13.777 1.00 0.00 ATOM 12 CG2 THR A 2 0.875 -1.107 -14.385 1.00 0.00 ATOM 13 OG1 THR A 2 3.079 -1.354 -13.522 1.00 0.00 ATOM 14 O THR A 2 -1.023 -2.899 -12.173 1.00 0.00 ATOM 15 C THR A 2 0.012 -3.354 -12.652 1.00 0.00 ATOM 16 N GLN A 3 -0.012 -4.514 -13.294 1.00 0.00 ATOM 17 CA GLN A 3 -1.268 -5.206 -13.535 1.00 0.00 ATOM 18 CB GLN A 3 -1.078 -6.516 -14.224 1.00 0.00 ATOM 19 CG GLN A 3 -0.851 -6.351 -15.725 1.00 0.00 ATOM 20 CD GLN A 3 -0.070 -7.499 -16.347 1.00 0.00 ATOM 21 OE1 GLN A 3 -0.401 -8.667 -16.166 1.00 0.00 ATOM 22 NE2 GLN A 3 0.973 -7.161 -17.095 1.00 0.00 ATOM 23 O GLN A 3 -3.088 -5.502 -12.004 1.00 0.00 ATOM 24 C GLN A 3 -1.890 -5.668 -12.219 1.00 0.00 ATOM 25 N SER A 4 -1.074 -6.202 -11.312 1.00 0.00 ATOM 26 CA SER A 4 -1.584 -6.668 -10.027 1.00 0.00 ATOM 27 CB SER A 4 -0.473 -7.346 -9.225 1.00 0.00 ATOM 28 OG SER A 4 0.517 -6.408 -8.830 1.00 0.00 ATOM 29 O SER A 4 -2.786 -5.757 -8.146 1.00 0.00 ATOM 30 C SER A 4 -2.102 -5.522 -9.141 1.00 0.00 ATOM 31 N VAL A 5 -1.699 -4.293 -9.459 1.00 0.00 ATOM 32 CA VAL A 5 -2.122 -3.125 -8.696 1.00 0.00 ATOM 33 CB VAL A 5 -0.939 -2.146 -8.408 1.00 0.00 ATOM 34 CG1 VAL A 5 0.125 -2.823 -7.559 1.00 0.00 ATOM 35 CG2 VAL A 5 -0.352 -1.661 -9.726 1.00 0.00 ATOM 36 O VAL A 5 -3.914 -1.509 -8.859 1.00 0.00 ATOM 37 C VAL A 5 -3.300 -2.437 -9.384 1.00 0.00 ATOM 38 N LEU A 6 -3.663 -2.895 -10.690 1.00 0.00 ATOM 39 CA LEU A 6 -4.810 -2.351 -11.417 1.00 0.00 ATOM 40 CB LEU A 6 -5.844 -1.787 -10.441 1.00 0.00 ATOM 41 CG LEU A 6 -6.508 -2.796 -9.500 1.00 0.00 ATOM 42 CD1 LEU A 6 -7.405 -2.084 -8.496 1.00 0.00 ATOM 43 CD2 LEU A 6 -7.361 -3.782 -10.282 1.00 0.00 ATOM 44 O LEU A 6 -5.341 -0.524 -12.902 1.00 0.00 ATOM 45 C LEU A 6 -4.474 -1.286 -12.465 1.00 0.00 ATOM 46 N LEU A 7 -3.206 -1.247 -12.860 1.00 0.00 ATOM 47 CA LEU A 7 -2.712 -0.321 -13.875 1.00 0.00 ATOM 48 CB LEU A 7 -3.350 -0.537 -15.246 1.00 0.00 ATOM 49 CG LEU A 7 -3.103 -1.896 -15.905 1.00 0.00 ATOM 50 CD1 LEU A 7 -3.890 -2.017 -17.202 1.00 0.00 ATOM 51 CD2 LEU A 7 -1.628 -2.080 -16.225 1.00 0.00 ATOM 52 O LEU A 7 -3.894 1.760 -14.061 1.00 0.00 ATOM 53 C LEU A 7 -3.003 1.125 -13.493 1.00 0.00 ATOM 54 N PRO A 8 -2.268 1.677 -12.529 1.00 0.00 ATOM 55 CA PRO A 8 -2.473 3.057 -12.099 1.00 0.00 ATOM 56 CB PRO A 8 -1.732 3.063 -10.707 1.00 0.00 ATOM 57 CG PRO A 8 -1.246 1.649 -10.538 1.00 0.00 ATOM 58 CD PRO A 8 -1.087 1.127 -11.929 1.00 0.00 ATOM 59 O PRO A 8 -1.380 4.082 -13.967 1.00 0.00 ATOM 60 C PRO A 8 -2.171 4.213 -13.035 1.00 0.00 ATOM 61 N PRO A 9 -2.776 5.317 -12.740 1.00 0.00 ATOM 62 CA PRO A 9 -2.543 6.486 -13.591 1.00 0.00 ATOM 63 CB PRO A 9 -3.926 7.218 -13.509 1.00 0.00 ATOM 64 CG PRO A 9 -4.120 7.127 -12.019 1.00 0.00 ATOM 65 CD PRO A 9 -3.828 5.655 -11.776 1.00 0.00 ATOM 66 O PRO A 9 -1.103 7.696 -12.115 1.00 0.00 ATOM 67 C PRO A 9 -1.305 7.278 -13.252 1.00 0.00 ATOM 68 N GLY A 10 -0.487 7.562 -14.203 1.00 0.00 ATOM 69 CA GLY A 10 0.638 8.440 -14.097 1.00 0.00 ATOM 70 O GLY A 10 1.836 6.733 -12.942 1.00 0.00 ATOM 71 C GLY A 10 1.859 7.850 -13.488 1.00 0.00 ATOM 72 N PRO A 11 3.080 8.586 -13.623 1.00 0.00 ATOM 73 CA PRO A 11 4.339 8.069 -13.129 1.00 0.00 ATOM 74 CB PRO A 11 5.347 9.151 -13.601 1.00 0.00 ATOM 75 CG PRO A 11 4.646 9.723 -14.814 1.00 0.00 ATOM 76 CD PRO A 11 3.186 9.806 -14.391 1.00 0.00 ATOM 77 O PRO A 11 4.991 6.730 -11.305 1.00 0.00 ATOM 78 C PRO A 11 4.361 7.753 -11.643 1.00 0.00 ATOM 79 N PHE A 12 3.786 8.560 -10.786 1.00 0.00 ATOM 80 CA PHE A 12 3.882 8.340 -9.346 1.00 0.00 ATOM 81 CB PHE A 12 2.640 9.328 -8.727 1.00 0.00 ATOM 82 CG PHE A 12 2.756 9.710 -7.286 1.00 0.00 ATOM 83 CD1 PHE A 12 3.556 10.795 -6.941 1.00 0.00 ATOM 84 CD2 PHE A 12 2.198 8.951 -6.259 1.00 0.00 ATOM 85 CE1 PHE A 12 3.763 11.145 -5.628 1.00 0.00 ATOM 86 CE2 PHE A 12 2.399 9.288 -4.931 1.00 0.00 ATOM 87 CZ PHE A 12 3.207 10.392 -4.606 1.00 0.00 ATOM 88 O PHE A 12 3.722 6.306 -8.076 1.00 0.00 ATOM 89 C PHE A 12 3.201 7.040 -8.919 1.00 0.00 ATOM 90 N THR A 13 2.063 6.754 -9.472 1.00 0.00 ATOM 91 CA THR A 13 1.287 5.535 -9.143 1.00 0.00 ATOM 92 CB THR A 13 -0.119 5.559 -9.796 1.00 0.00 ATOM 93 CG2 THR A 13 -0.917 6.747 -9.276 1.00 0.00 ATOM 94 OG1 THR A 13 0.032 5.661 -11.202 1.00 0.00 ATOM 95 O THR A 13 1.966 3.253 -8.932 1.00 0.00 ATOM 96 C THR A 13 1.995 4.277 -9.629 1.00 0.00 ATOM 97 N ARG A 14 2.637 4.366 -10.787 1.00 0.00 ATOM 98 CA ARG A 14 3.431 3.236 -11.298 1.00 0.00 ATOM 99 CB ARG A 14 4.044 3.469 -12.641 1.00 0.00 ATOM 100 CG ARG A 14 3.033 3.304 -13.786 1.00 0.00 ATOM 101 CD ARG A 14 3.766 3.646 -15.094 1.00 0.00 ATOM 102 NE ARG A 14 3.045 3.178 -16.266 1.00 0.00 ATOM 103 CZ ARG A 14 1.999 3.704 -16.875 1.00 0.00 ATOM 104 NH1 ARG A 14 1.502 3.121 -17.968 1.00 0.00 ATOM 105 NH2 ARG A 14 1.487 4.856 -16.428 1.00 0.00 ATOM 106 O ARG A 14 4.800 1.789 -9.992 1.00 0.00 ATOM 107 C ARG A 14 4.551 2.971 -10.308 1.00 0.00 ATOM 108 N ARG A 15 5.251 3.974 -9.825 1.00 0.00 ATOM 109 CA ARG A 15 6.300 3.824 -8.827 1.00 0.00 ATOM 110 CB ARG A 15 6.910 5.162 -8.453 1.00 0.00 ATOM 111 CG ARG A 15 7.699 5.169 -7.148 1.00 0.00 ATOM 112 CD ARG A 15 7.879 6.574 -6.598 1.00 0.00 ATOM 113 NE ARG A 15 8.870 6.694 -5.534 1.00 0.00 ATOM 114 CZ ARG A 15 10.143 6.324 -5.655 1.00 0.00 ATOM 115 NH1 ARG A 15 10.608 5.804 -6.787 1.00 0.00 ATOM 116 NH2 ARG A 15 10.992 6.466 -4.644 1.00 0.00 ATOM 117 O ARG A 15 6.433 2.295 -6.992 1.00 0.00 ATOM 118 C ARG A 15 5.749 3.164 -7.597 1.00 0.00 ATOM 119 N GLN A 16 4.608 3.703 -7.148 1.00 0.00 ATOM 120 CA GLN A 16 3.978 3.223 -5.911 1.00 0.00 ATOM 121 CB GLN A 16 2.847 4.155 -5.555 1.00 0.00 ATOM 122 CG GLN A 16 3.313 5.550 -5.213 1.00 0.00 ATOM 123 CD GLN A 16 3.745 5.712 -3.781 1.00 0.00 ATOM 124 OE1 GLN A 16 2.904 5.668 -2.852 1.00 0.00 ATOM 125 NE2 GLN A 16 5.039 5.890 -3.565 1.00 0.00 ATOM 126 O GLN A 16 3.712 0.881 -5.201 1.00 0.00 ATOM 127 C GLN A 16 3.555 1.770 -6.068 1.00 0.00 ATOM 128 N ALA A 17 2.973 1.480 -7.244 1.00 0.00 ATOM 129 CA ALA A 17 2.562 0.107 -7.550 1.00 0.00 ATOM 130 CB ALA A 17 1.885 0.160 -8.918 1.00 0.00 ATOM 131 O ALA A 17 3.595 -1.987 -7.020 1.00 0.00 ATOM 132 C ALA A 17 3.718 -0.876 -7.557 1.00 0.00 ATOM 133 N GLN A 18 4.845 -0.533 -8.186 1.00 0.00 ATOM 134 CA GLN A 18 5.999 -1.411 -8.207 1.00 0.00 ATOM 135 CB GLN A 18 7.069 -0.758 -9.109 1.00 0.00 ATOM 136 CG GLN A 18 8.248 -1.689 -9.352 1.00 0.00 ATOM 137 CD GLN A 18 7.846 -2.947 -10.083 1.00 0.00 ATOM 138 OE1 GLN A 18 7.674 -2.925 -11.295 1.00 0.00 ATOM 139 NE2 GLN A 18 7.702 -4.034 -9.330 1.00 0.00 ATOM 140 O GLN A 18 6.796 -2.812 -6.413 1.00 0.00 ATOM 141 C GLN A 18 6.490 -1.698 -6.788 1.00 0.00 ATOM 142 N ALA A 19 6.560 -0.624 -5.971 1.00 0.00 ATOM 143 CA ALA A 19 7.018 -0.795 -4.573 1.00 0.00 ATOM 144 CB ALA A 19 7.010 0.535 -3.837 1.00 0.00 ATOM 145 O ALA A 19 6.513 -2.580 -3.033 1.00 0.00 ATOM 146 C ALA A 19 6.095 -1.787 -3.874 1.00 0.00 ATOM 147 N VAL A 20 4.829 -1.714 -4.200 1.00 0.00 ATOM 148 CA VAL A 20 3.808 -2.537 -3.555 1.00 0.00 ATOM 149 CB VAL A 20 2.452 -2.123 -4.043 1.00 0.00 ATOM 150 CG1 VAL A 20 1.335 -3.154 -3.633 1.00 0.00 ATOM 151 CG2 VAL A 20 2.147 -0.732 -3.532 1.00 0.00 ATOM 152 O VAL A 20 4.151 -4.312 -5.143 1.00 0.00 ATOM 153 C VAL A 20 4.102 -3.976 -3.960 1.00 0.00 ATOM 154 N THR A 21 4.292 -4.844 -2.887 1.00 0.00 ATOM 155 CA THR A 21 4.580 -6.252 -3.112 1.00 0.00 ATOM 156 CB THR A 21 4.802 -6.974 -1.751 1.00 0.00 ATOM 157 CG2 THR A 21 5.142 -8.432 -1.945 1.00 0.00 ATOM 158 OG1 THR A 21 5.867 -6.347 -1.027 1.00 0.00 ATOM 159 O THR A 21 2.351 -6.731 -3.839 1.00 0.00 ATOM 160 C THR A 21 3.557 -6.878 -4.058 1.00 0.00 ATOM 161 N THR A 22 4.035 -7.550 -5.123 1.00 0.00 ATOM 162 CA THR A 22 3.161 -8.068 -6.178 1.00 0.00 ATOM 163 CB THR A 22 3.968 -8.720 -7.317 1.00 0.00 ATOM 164 CG2 THR A 22 3.033 -9.304 -8.364 1.00 0.00 ATOM 165 OG1 THR A 22 4.804 -7.738 -7.937 1.00 0.00 ATOM 166 O THR A 22 1.093 -9.267 -6.225 1.00 0.00 ATOM 167 C THR A 22 2.193 -9.144 -5.685 1.00 0.00 ATOM 168 N THR A 23 2.588 -9.893 -4.656 1.00 0.00 ATOM 169 CA THR A 23 1.769 -10.986 -4.118 1.00 0.00 ATOM 170 CB THR A 23 2.605 -11.943 -3.251 1.00 0.00 ATOM 171 CG2 THR A 23 3.727 -12.564 -4.069 1.00 0.00 ATOM 172 OG1 THR A 23 3.175 -11.224 -2.150 1.00 0.00 ATOM 173 O THR A 23 -0.113 -11.376 -2.689 1.00 0.00 ATOM 174 C THR A 23 0.618 -10.546 -3.228 1.00 0.00 ATOM 175 N TYR A 24 0.445 -9.167 -3.089 1.00 0.00 ATOM 176 CA TYR A 24 -0.641 -8.621 -2.281 1.00 0.00 ATOM 177 CB TYR A 24 -0.382 -7.164 -1.911 1.00 0.00 ATOM 178 CG TYR A 24 0.774 -6.917 -0.977 1.00 0.00 ATOM 179 CD1 TYR A 24 1.050 -7.789 0.087 1.00 0.00 ATOM 180 CD2 TYR A 24 1.547 -5.758 -1.103 1.00 0.00 ATOM 181 CE1 TYR A 24 2.066 -7.498 1.008 1.00 0.00 ATOM 182 CE2 TYR A 24 2.552 -5.471 -0.195 1.00 0.00 ATOM 183 CZ TYR A 24 2.802 -6.338 0.857 1.00 0.00 ATOM 184 OH TYR A 24 3.788 -6.016 1.761 1.00 0.00 ATOM 185 O TYR A 24 -1.958 -8.538 -4.288 1.00 0.00 ATOM 186 C TYR A 24 -1.952 -8.686 -3.063 1.00 0.00 ATOM 187 N SER A 25 -3.056 -8.903 -2.351 1.00 0.00 ATOM 188 CA SER A 25 -4.368 -9.062 -2.990 1.00 0.00 ATOM 189 CB SER A 25 -5.038 -10.324 -2.451 1.00 0.00 ATOM 190 OG SER A 25 -5.198 -10.199 -1.046 1.00 0.00 ATOM 191 O SER A 25 -5.135 -7.061 -1.870 1.00 0.00 ATOM 192 C SER A 25 -5.257 -7.827 -2.839 1.00 0.00 ATOM 193 N ASN A 26 -6.159 -7.663 -3.811 1.00 0.00 ATOM 194 CA ASN A 26 -7.109 -6.548 -3.896 1.00 0.00 ATOM 195 CB ASN A 26 -8.226 -6.717 -2.864 1.00 0.00 ATOM 196 CG ASN A 26 -9.406 -5.801 -3.126 1.00 0.00 ATOM 197 ND2 ASN A 26 -10.170 -5.507 -2.081 1.00 0.00 ATOM 198 OD1 ASN A 26 -9.625 -5.363 -4.255 1.00 0.00 ATOM 199 O ASN A 26 -6.893 -4.379 -2.878 1.00 0.00 ATOM 200 C ASN A 26 -6.420 -5.186 -3.655 1.00 0.00 ATOM 201 N ILE A 27 -5.333 -4.935 -4.379 1.00 0.00 ATOM 202 CA ILE A 27 -4.580 -3.728 -4.234 1.00 0.00 ATOM 203 CB ILE A 27 -3.133 -3.889 -4.805 1.00 0.00 ATOM 204 CG1 ILE A 27 -2.363 -4.962 -4.027 1.00 0.00 ATOM 205 CG2 ILE A 27 -2.380 -2.561 -4.753 1.00 0.00 ATOM 206 CD1 ILE A 27 -1.065 -5.363 -4.696 1.00 0.00 ATOM 207 O ILE A 27 -5.591 -2.601 -6.081 1.00 0.00 ATOM 208 C ILE A 27 -5.231 -2.533 -4.911 1.00 0.00 ATOM 209 N THR A 28 -5.389 -1.461 -4.149 1.00 0.00 ATOM 210 CA THR A 28 -5.947 -0.216 -4.666 1.00 0.00 ATOM 211 CB THR A 28 -7.140 0.272 -3.835 1.00 0.00 ATOM 212 CG2 THR A 28 -7.732 1.546 -4.404 1.00 0.00 ATOM 213 OG1 THR A 28 -8.189 -0.727 -3.833 1.00 0.00 ATOM 214 O THR A 28 -4.452 1.148 -3.373 1.00 0.00 ATOM 215 C THR A 28 -4.921 0.899 -4.488 1.00 0.00 ATOM 216 N LEU A 29 -4.556 1.548 -5.595 1.00 0.00 ATOM 217 CA LEU A 29 -3.595 2.651 -5.572 1.00 0.00 ATOM 218 CB LEU A 29 -2.509 2.400 -6.619 1.00 0.00 ATOM 219 CG LEU A 29 -1.694 1.115 -6.456 1.00 0.00 ATOM 220 CD1 LEU A 29 -0.745 0.927 -7.630 1.00 0.00 ATOM 221 CD2 LEU A 29 -0.870 1.160 -5.179 1.00 0.00 ATOM 222 O LEU A 29 -5.279 3.993 -6.655 1.00 0.00 ATOM 223 C LEU A 29 -4.332 3.957 -5.871 1.00 0.00 ATOM 224 N GLU A 30 -3.860 5.030 -5.259 1.00 0.00 ATOM 225 CA GLU A 30 -4.423 6.352 -5.457 1.00 0.00 ATOM 226 CB GLU A 30 -3.867 7.334 -4.425 1.00 0.00 ATOM 227 CG GLU A 30 -4.462 7.174 -3.036 1.00 0.00 ATOM 228 CD GLU A 30 -5.955 7.446 -3.005 1.00 0.00 ATOM 229 OE1 GLU A 30 -6.370 8.530 -3.469 1.00 0.00 ATOM 230 OE2 GLU A 30 -6.707 6.575 -2.519 1.00 0.00 ATOM 231 O GLU A 30 -2.927 7.105 -7.174 1.00 0.00 ATOM 232 C GLU A 30 -4.098 6.981 -6.811 1.00 0.00 ATOM 233 N ASP A 31 -5.144 7.375 -7.564 1.00 0.00 ATOM 234 CA ASP A 31 -4.975 8.165 -8.784 1.00 0.00 ATOM 235 CB ASP A 31 -6.257 8.132 -9.622 1.00 0.00 ATOM 236 CG ASP A 31 -7.444 8.735 -8.894 1.00 0.00 ATOM 237 OD1 ASP A 31 -7.753 8.272 -7.776 1.00 0.00 ATOM 238 OD2 ASP A 31 -8.063 9.667 -9.444 1.00 0.00 ATOM 239 O ASP A 31 -3.969 10.271 -9.343 1.00 0.00 ATOM 240 C ASP A 31 -4.586 9.619 -8.497 1.00 0.00 ATOM 241 N ASP A 32 -4.954 10.105 -7.313 1.00 0.00 ATOM 242 CA ASP A 32 -4.626 11.453 -6.864 1.00 0.00 ATOM 243 CB ASP A 32 -5.798 12.029 -6.065 1.00 0.00 ATOM 244 CG ASP A 32 -7.011 12.307 -6.930 1.00 0.00 ATOM 245 OD1 ASP A 32 -6.871 12.300 -8.171 1.00 0.00 ATOM 246 OD2 ASP A 32 -8.103 12.530 -6.365 1.00 0.00 ATOM 247 O ASP A 32 -3.272 10.904 -4.959 1.00 0.00 ATOM 248 C ASP A 32 -3.317 11.443 -6.066 1.00 0.00 ATOM 249 N GLN A 33 -2.180 12.063 -6.569 1.00 0.00 ATOM 250 CA GLN A 33 -0.899 12.097 -5.861 1.00 0.00 ATOM 251 CB GLN A 33 0.192 12.743 -6.777 1.00 0.00 ATOM 252 CG GLN A 33 0.153 14.290 -6.848 1.00 0.00 ATOM 253 CD GLN A 33 -1.093 14.840 -7.549 1.00 0.00 ATOM 254 OE1 GLN A 33 -1.640 14.212 -8.461 1.00 0.00 ATOM 255 NE2 GLN A 33 -1.513 16.037 -7.152 1.00 0.00 ATOM 256 O GLN A 33 -0.083 12.499 -3.639 1.00 0.00 ATOM 257 C GLN A 33 -0.954 12.742 -4.478 1.00 0.00 ATOM 258 N GLY A 34 -2.005 13.522 -4.226 1.00 0.00 ATOM 259 CA GLY A 34 -2.148 14.259 -2.969 1.00 0.00 ATOM 260 O GLY A 34 -2.746 13.983 -0.640 1.00 0.00 ATOM 261 C GLY A 34 -2.756 13.504 -1.795 1.00 0.00 ATOM 262 N SER A 35 -3.331 12.286 -2.052 1.00 0.00 ATOM 263 CA SER A 35 -4.034 11.543 -1.032 1.00 0.00 ATOM 264 CB SER A 35 -4.669 10.295 -1.650 1.00 0.00 ATOM 265 OG SER A 35 -5.206 9.446 -0.650 1.00 0.00 ATOM 266 O SER A 35 -1.934 10.620 -0.279 1.00 0.00 ATOM 267 C SER A 35 -3.041 11.104 0.050 1.00 0.00 ATOM 268 N HIS A 36 -3.463 11.201 1.306 1.00 0.00 ATOM 269 CA HIS A 36 -2.677 10.718 2.440 1.00 0.00 ATOM 270 CB HIS A 36 -3.381 11.139 3.752 1.00 0.00 ATOM 271 CG HIS A 36 -3.365 12.614 3.991 1.00 0.00 ATOM 272 CD2 HIS A 36 -2.610 13.594 3.440 1.00 0.00 ATOM 273 ND1 HIS A 36 -4.208 13.236 4.884 1.00 0.00 ATOM 274 CE1 HIS A 36 -3.975 14.536 4.872 1.00 0.00 ATOM 275 NE2 HIS A 36 -3.011 14.779 4.003 1.00 0.00 ATOM 276 O HIS A 36 -1.395 8.743 2.884 1.00 0.00 ATOM 277 C HIS A 36 -2.453 9.214 2.468 1.00 0.00 ATOM 278 N PHE A 37 -3.475 8.475 2.044 1.00 0.00 ATOM 279 CA PHE A 37 -3.384 7.035 1.881 1.00 0.00 ATOM 280 CB PHE A 37 -4.578 6.244 2.556 1.00 0.00 ATOM 281 CG PHE A 37 -4.745 6.349 4.074 1.00 0.00 ATOM 282 CD1 PHE A 37 -3.882 7.093 4.878 1.00 0.00 ATOM 283 CD2 PHE A 37 -5.820 5.704 4.681 1.00 0.00 ATOM 284 CE1 PHE A 37 -4.103 7.185 6.269 1.00 0.00 ATOM 285 CE2 PHE A 37 -6.055 5.786 6.051 1.00 0.00 ATOM 286 CZ PHE A 37 -5.193 6.529 6.853 1.00 0.00 ATOM 287 O PHE A 37 -4.018 7.035 -0.425 1.00 0.00 ATOM 288 C PHE A 37 -3.142 6.766 0.400 1.00 0.00 ATOM 289 N ARG A 38 -1.866 6.381 0.003 1.00 0.00 ATOM 290 CA ARG A 38 -1.436 6.243 -1.389 1.00 0.00 ATOM 291 CB ARG A 38 0.049 6.651 -1.521 1.00 0.00 ATOM 292 CG ARG A 38 0.217 8.148 -1.633 1.00 0.00 ATOM 293 CD ARG A 38 1.662 8.624 -1.759 1.00 0.00 ATOM 294 NE ARG A 38 1.661 10.075 -1.950 1.00 0.00 ATOM 295 CZ ARG A 38 2.295 10.946 -1.171 1.00 0.00 ATOM 296 NH1 ARG A 38 3.008 10.524 -0.133 1.00 0.00 ATOM 297 NH2 ARG A 38 2.184 12.246 -1.412 1.00 0.00 ATOM 298 O ARG A 38 -1.957 4.701 -3.149 1.00 0.00 ATOM 299 C ARG A 38 -1.668 4.852 -1.959 1.00 0.00 ATOM 300 N LEU A 39 -1.533 3.842 -1.107 1.00 0.00 ATOM 301 CA LEU A 39 -1.779 2.461 -1.487 1.00 0.00 ATOM 302 CB LEU A 39 -0.488 1.811 -1.986 1.00 0.00 ATOM 303 CG LEU A 39 0.680 1.779 -0.999 1.00 0.00 ATOM 304 CD1 LEU A 39 0.583 0.563 -0.089 1.00 0.00 ATOM 305 CD2 LEU A 39 2.008 1.713 -1.742 1.00 0.00 ATOM 306 O LEU A 39 -1.875 1.866 0.833 1.00 0.00 ATOM 307 C LEU A 39 -2.309 1.662 -0.305 1.00 0.00 ATOM 308 N VAL A 40 -3.257 0.715 -0.669 1.00 0.00 ATOM 309 CA VAL A 40 -3.704 -0.270 0.312 1.00 0.00 ATOM 310 CB VAL A 40 -5.070 0.084 0.936 1.00 0.00 ATOM 311 CG1 VAL A 40 -6.148 0.166 -0.121 1.00 0.00 ATOM 312 CG2 VAL A 40 -5.432 -0.957 1.993 1.00 0.00 ATOM 313 O VAL A 40 -4.389 -1.667 -1.522 1.00 0.00 ATOM 314 C VAL A 40 -4.021 -1.611 -0.348 1.00 0.00 ATOM 315 N VAL A 41 -3.813 -2.685 0.407 1.00 0.00 ATOM 316 CA VAL A 41 -4.049 -4.040 -0.071 1.00 0.00 ATOM 317 CB VAL A 41 -2.922 -4.475 -1.023 1.00 0.00 ATOM 318 CG1 VAL A 41 -1.602 -4.576 -0.275 1.00 0.00 ATOM 319 CG2 VAL A 41 -3.234 -5.833 -1.633 1.00 0.00 ATOM 320 O VAL A 41 -4.091 -4.602 2.251 1.00 0.00 ATOM 321 C VAL A 41 -4.086 -5.015 1.087 1.00 0.00 ATOM 322 N ARG A 42 -4.303 -6.285 0.762 1.00 0.00 ATOM 323 CA ARG A 42 -4.372 -7.356 1.751 1.00 0.00 ATOM 324 CB ARG A 42 -5.734 -8.084 1.610 1.00 0.00 ATOM 325 CG ARG A 42 -6.935 -7.190 1.840 1.00 0.00 ATOM 326 CD ARG A 42 -8.224 -7.982 1.903 1.00 0.00 ATOM 327 NE ARG A 42 -9.425 -7.149 1.963 1.00 0.00 ATOM 328 CZ ARG A 42 -10.034 -6.733 3.080 1.00 0.00 ATOM 329 NH1 ARG A 42 -9.557 -7.026 4.291 1.00 0.00 ATOM 330 NH2 ARG A 42 -11.136 -5.994 2.980 1.00 0.00 ATOM 331 O ARG A 42 -2.700 -8.663 0.663 1.00 0.00 ATOM 332 C ARG A 42 -3.091 -8.178 1.723 1.00 0.00 ATOM 333 N ASP A 43 -2.453 -8.433 2.983 1.00 0.00 ATOM 334 CA ASP A 43 -1.276 -9.297 3.040 1.00 0.00 ATOM 335 CB ASP A 43 -0.502 -9.065 4.338 1.00 0.00 ATOM 336 CG ASP A 43 -1.280 -9.496 5.564 1.00 0.00 ATOM 337 OD1 ASP A 43 -2.314 -10.177 5.403 1.00 0.00 ATOM 338 OD2 ASP A 43 -0.857 -9.152 6.688 1.00 0.00 ATOM 339 O ASP A 43 -2.798 -11.102 2.585 1.00 0.00 ATOM 340 C ASP A 43 -1.669 -10.778 2.966 1.00 0.00 ATOM 341 N THR A 44 -0.696 -11.578 3.334 1.00 0.00 ATOM 342 CA THR A 44 -0.857 -13.036 3.244 1.00 0.00 ATOM 343 CB THR A 44 0.475 -13.780 3.295 1.00 0.00 ATOM 344 CG2 THR A 44 1.269 -13.530 2.013 1.00 0.00 ATOM 345 OG1 THR A 44 1.248 -13.364 4.429 1.00 0.00 ATOM 346 O THR A 44 -2.404 -14.549 4.103 1.00 0.00 ATOM 347 C THR A 44 -1.712 -13.569 4.383 1.00 0.00 ATOM 348 N GLU A 45 -1.938 -12.830 5.422 1.00 0.00 ATOM 349 CA GLU A 45 -2.882 -13.179 6.476 1.00 0.00 ATOM 350 CB GLU A 45 -2.478 -12.464 7.811 1.00 0.00 ATOM 351 CG GLU A 45 -1.002 -12.478 8.162 1.00 0.00 ATOM 352 CD GLU A 45 -0.573 -13.592 9.079 1.00 0.00 ATOM 353 OE1 GLU A 45 -1.419 -14.416 9.492 1.00 0.00 ATOM 354 OE2 GLU A 45 0.633 -13.670 9.395 1.00 0.00 ATOM 355 O GLU A 45 -5.084 -12.728 7.223 1.00 0.00 ATOM 356 C GLU A 45 -4.266 -12.559 6.306 1.00 0.00 ATOM 357 N GLY A 46 -4.500 -11.807 5.233 1.00 0.00 ATOM 358 CA GLY A 46 -5.797 -11.174 5.026 1.00 0.00 ATOM 359 O GLY A 46 -7.068 -9.510 6.186 1.00 0.00 ATOM 360 C GLY A 46 -5.951 -9.890 5.822 1.00 0.00 ATOM 361 N ARG A 47 -4.829 -9.240 6.130 1.00 0.00 ATOM 362 CA ARG A 47 -4.843 -7.990 6.887 1.00 0.00 ATOM 363 CB ARG A 47 -3.592 -7.966 7.732 1.00 0.00 ATOM 364 CG ARG A 47 -3.543 -6.738 8.640 1.00 0.00 ATOM 365 CD ARG A 47 -4.573 -6.812 9.763 1.00 0.00 ATOM 366 NE ARG A 47 -4.248 -7.950 10.606 1.00 0.00 ATOM 367 CZ ARG A 47 -3.365 -7.857 11.582 1.00 0.00 ATOM 368 NH1 ARG A 47 -2.767 -6.701 11.863 1.00 0.00 ATOM 369 NH2 ARG A 47 -3.059 -8.951 12.260 1.00 0.00 ATOM 370 O ARG A 47 -3.851 -6.900 4.997 1.00 0.00 ATOM 371 C ARG A 47 -4.606 -6.802 5.961 1.00 0.00 ATOM 372 N MET A 48 -5.267 -5.682 6.256 1.00 0.00 ATOM 373 CA MET A 48 -5.072 -4.457 5.485 1.00 0.00 ATOM 374 CB MET A 48 -6.370 -3.586 5.570 1.00 0.00 ATOM 375 CG MET A 48 -7.669 -4.258 5.210 1.00 0.00 ATOM 376 SD MET A 48 -9.019 -3.178 5.686 1.00 0.00 ATOM 377 CE MET A 48 -8.795 -1.816 4.533 1.00 0.00 ATOM 378 O MET A 48 -3.449 -3.361 6.865 1.00 0.00 ATOM 379 C MET A 48 -3.747 -3.748 5.735 1.00 0.00 ATOM 380 N VAL A 49 -3.051 -3.447 4.662 1.00 0.00 ATOM 381 CA VAL A 49 -1.744 -2.803 4.715 1.00 0.00 ATOM 382 CB VAL A 49 -0.641 -3.710 4.146 1.00 0.00 ATOM 383 CG1 VAL A 49 -0.522 -4.985 4.968 1.00 0.00 ATOM 384 CG2 VAL A 49 -0.956 -4.095 2.709 1.00 0.00 ATOM 385 O VAL A 49 -2.320 -1.484 2.798 1.00 0.00 ATOM 386 C VAL A 49 -1.741 -1.529 3.888 1.00 0.00 ATOM 387 N TRP A 50 -1.053 -0.505 4.410 1.00 0.00 ATOM 388 CA TRP A 50 -1.128 0.809 3.805 1.00 0.00 ATOM 389 CB TRP A 50 -1.882 1.770 4.692 1.00 0.00 ATOM 390 CG TRP A 50 -3.308 1.407 4.764 1.00 0.00 ATOM 391 CD1 TRP A 50 -3.872 0.467 5.569 1.00 0.00 ATOM 392 CD2 TRP A 50 -4.365 1.934 3.958 1.00 0.00 ATOM 393 CE2 TRP A 50 -5.546 1.265 4.331 1.00 0.00 ATOM 394 CE3 TRP A 50 -4.430 2.907 2.951 1.00 0.00 ATOM 395 NE1 TRP A 50 -5.216 0.372 5.317 1.00 0.00 ATOM 396 CZ2 TRP A 50 -6.780 1.535 3.738 1.00 0.00 ATOM 397 CZ3 TRP A 50 -5.659 3.176 2.361 1.00 0.00 ATOM 398 CH2 TRP A 50 -6.813 2.494 2.757 1.00 0.00 ATOM 399 O TRP A 50 1.131 1.211 4.512 1.00 0.00 ATOM 400 C TRP A 50 0.222 1.506 3.742 1.00 0.00 ATOM 401 N ARG A 51 0.346 2.401 2.771 1.00 0.00 ATOM 402 CA ARG A 51 1.547 3.201 2.587 1.00 0.00 ATOM 403 CB ARG A 51 2.422 3.091 1.638 1.00 0.00 ATOM 404 CG ARG A 51 3.708 2.716 2.341 1.00 0.00 ATOM 405 CD ARG A 51 4.892 2.893 1.395 1.00 0.00 ATOM 406 NE ARG A 51 4.895 1.888 0.341 1.00 0.00 ATOM 407 CZ ARG A 51 5.354 0.651 0.494 1.00 0.00 ATOM 408 NH1 ARG A 51 5.868 0.263 1.660 1.00 0.00 ATOM 409 NH2 ARG A 51 5.268 -0.214 -0.507 1.00 0.00 ATOM 410 O ARG A 51 0.151 5.119 2.267 1.00 0.00 ATOM 411 C ARG A 51 1.112 4.632 2.875 1.00 0.00 ATOM 412 N ALA A 52 1.656 5.216 3.939 1.00 0.00 ATOM 413 CA ALA A 52 1.310 6.587 4.318 1.00 0.00 ATOM 414 CB ALA A 52 1.720 6.854 5.760 1.00 0.00 ATOM 415 O ALA A 52 2.868 7.216 2.584 1.00 0.00 ATOM 416 C ALA A 52 2.032 7.591 3.406 1.00 0.00 ATOM 417 N TRP A 53 1.744 8.976 3.528 1.00 0.00 ATOM 418 CA TRP A 53 2.398 10.028 2.737 1.00 0.00 ATOM 419 CB TRP A 53 1.776 11.392 3.042 1.00 0.00 ATOM 420 CG TRP A 53 1.879 11.790 4.482 1.00 0.00 ATOM 421 CD1 TRP A 53 2.923 12.437 5.082 1.00 0.00 ATOM 422 CD2 TRP A 53 0.903 11.567 5.506 1.00 0.00 ATOM 423 CE2 TRP A 53 1.421 12.104 6.700 1.00 0.00 ATOM 424 CE3 TRP A 53 -0.359 10.965 5.531 1.00 0.00 ATOM 425 NE1 TRP A 53 2.657 12.630 6.416 1.00 0.00 ATOM 426 CZ2 TRP A 53 0.721 12.058 7.907 1.00 0.00 ATOM 427 CZ3 TRP A 53 -1.048 10.921 6.727 1.00 0.00 ATOM 428 CH2 TRP A 53 -0.509 11.463 7.899 1.00 0.00 ATOM 429 O TRP A 53 4.652 10.758 2.296 1.00 0.00 ATOM 430 C TRP A 53 3.901 10.120 3.034 1.00 0.00 ATOM 431 N ASN A 54 4.334 9.484 4.121 1.00 0.00 ATOM 432 CA ASN A 54 5.745 9.485 4.496 1.00 0.00 ATOM 433 CB ASN A 54 5.889 9.194 6.004 1.00 0.00 ATOM 434 CG ASN A 54 7.171 9.740 6.575 1.00 0.00 ATOM 435 ND2 ASN A 54 7.757 8.989 7.545 1.00 0.00 ATOM 436 OD1 ASN A 54 7.737 10.778 6.214 1.00 0.00 ATOM 437 O ASN A 54 7.545 7.922 4.343 1.00 0.00 ATOM 438 C ASN A 54 6.456 8.280 3.897 1.00 0.00 ATOM 439 N PHE A 55 5.770 7.562 3.012 1.00 0.00 ATOM 440 CA PHE A 55 6.368 6.389 2.403 1.00 0.00 ATOM 441 CB PHE A 55 7.508 6.702 1.491 1.00 0.00 ATOM 442 CG PHE A 55 7.061 7.622 0.382 1.00 0.00 ATOM 443 CD1 PHE A 55 6.029 7.258 -0.520 1.00 0.00 ATOM 444 CD2 PHE A 55 7.626 8.906 0.279 1.00 0.00 ATOM 445 CE1 PHE A 55 5.614 8.159 -1.514 1.00 0.00 ATOM 446 CE2 PHE A 55 7.216 9.792 -0.722 1.00 0.00 ATOM 447 CZ PHE A 55 6.217 9.429 -1.607 1.00 0.00 ATOM 448 O PHE A 55 7.531 4.461 3.207 1.00 0.00 ATOM 449 C PHE A 55 6.631 5.275 3.406 1.00 0.00 ATOM 450 N GLU A 56 5.841 5.249 4.479 1.00 0.00 ATOM 451 CA GLU A 56 5.959 4.236 5.532 1.00 0.00 ATOM 452 CB GLU A 56 5.768 4.850 6.927 1.00 0.00 ATOM 453 CG GLU A 56 6.769 5.916 7.351 1.00 0.00 ATOM 454 CD GLU A 56 8.199 5.418 7.310 1.00 0.00 ATOM 455 OE1 GLU A 56 8.427 4.236 7.662 1.00 0.00 ATOM 456 OE2 GLU A 56 9.098 6.213 6.947 1.00 0.00 ATOM 457 O GLU A 56 3.716 3.519 5.068 1.00 0.00 ATOM 458 C GLU A 56 4.870 3.182 5.341 1.00 0.00 ATOM 459 N PRO A 57 5.175 1.788 5.574 1.00 0.00 ATOM 460 CA PRO A 57 4.216 0.693 5.466 1.00 0.00 ATOM 461 CB PRO A 57 5.025 -0.445 4.820 1.00 0.00 ATOM 462 CG PRO A 57 6.433 -0.211 5.254 1.00 0.00 ATOM 463 CD PRO A 57 6.563 1.282 5.526 1.00 0.00 ATOM 464 O PRO A 57 4.418 0.243 7.815 1.00 0.00 ATOM 465 C PRO A 57 3.669 0.311 6.835 1.00 0.00 ATOM 466 N ASP A 58 2.346 0.197 6.931 1.00 0.00 ATOM 467 CA ASP A 58 1.696 -0.162 8.191 1.00 0.00 ATOM 468 CB ASP A 58 1.191 1.122 8.880 1.00 0.00 ATOM 469 CG ASP A 58 2.272 2.168 9.058 1.00 0.00 ATOM 470 OD1 ASP A 58 3.325 1.841 9.644 1.00 0.00 ATOM 471 OD2 ASP A 58 2.066 3.319 8.615 1.00 0.00 ATOM 472 O ASP A 58 0.034 -1.330 6.943 1.00 0.00 ATOM 473 C ASP A 58 0.752 -1.324 7.946 1.00 0.00 ATOM 474 N ALA A 59 0.755 -2.314 8.835 1.00 0.00 ATOM 475 CA ALA A 59 -0.186 -3.415 8.681 1.00 0.00 ATOM 476 CB ALA A 59 0.525 -4.773 8.519 1.00 0.00 ATOM 477 O ALA A 59 -0.846 -4.077 10.887 1.00 0.00 ATOM 478 C ALA A 59 -1.208 -3.617 9.801 1.00 0.00 ATOM 479 N GLY A 60 -2.485 -3.455 9.524 1.00 0.00 ATOM 480 CA GLY A 60 -3.523 -3.610 10.559 1.00 0.00 ATOM 481 O GLY A 60 -3.454 -1.683 11.954 1.00 0.00 ATOM 482 C GLY A 60 -3.242 -2.888 11.844 1.00 0.00 ATOM 483 N GLU A 61 -2.756 -3.695 12.876 1.00 0.00 ATOM 484 CA GLU A 61 -2.448 -3.115 14.177 1.00 0.00 ATOM 485 CB GLU A 61 -1.944 -4.221 15.121 1.00 0.00 ATOM 486 CG GLU A 61 -3.035 -5.199 15.505 1.00 0.00 ATOM 487 CD GLU A 61 -2.535 -6.408 16.262 1.00 0.00 ATOM 488 OE1 GLU A 61 -1.313 -6.660 16.296 1.00 0.00 ATOM 489 OE2 GLU A 61 -3.381 -7.130 16.813 1.00 0.00 ATOM 490 O GLU A 61 -1.560 -0.976 14.755 1.00 0.00 ATOM 491 C GLU A 61 -1.405 -2.011 14.122 1.00 0.00 ATOM 492 N GLY A 62 -0.325 -2.238 13.386 1.00 0.00 ATOM 493 CA GLY A 62 0.705 -1.219 13.257 1.00 0.00 ATOM 494 O GLY A 62 0.457 1.159 13.087 1.00 0.00 ATOM 495 C GLY A 62 0.161 0.044 12.636 1.00 0.00 ATOM 496 N LEU A 63 -0.631 -0.117 11.584 1.00 0.00 ATOM 497 CA LEU A 63 -1.244 1.015 10.899 1.00 0.00 ATOM 498 CB LEU A 63 -1.971 0.510 9.625 1.00 0.00 ATOM 499 CG LEU A 63 -2.672 1.795 9.144 1.00 0.00 ATOM 500 CD1 LEU A 63 -1.924 2.455 8.043 1.00 0.00 ATOM 501 CD2 LEU A 63 -4.131 1.570 8.940 1.00 0.00 ATOM 502 O LEU A 63 -2.264 2.992 11.831 1.00 0.00 ATOM 503 C LEU A 63 -2.187 1.760 11.838 1.00 0.00 ATOM 504 N ASN A 64 -2.972 0.999 12.601 1.00 0.00 ATOM 505 CA ASN A 64 -3.911 1.620 13.528 1.00 0.00 ATOM 506 CB ASN A 64 -4.665 0.537 14.305 1.00 0.00 ATOM 507 CG ASN A 64 -5.689 -0.182 13.454 1.00 0.00 ATOM 508 ND2 ASN A 64 -6.143 -1.338 13.926 1.00 0.00 ATOM 509 OD1 ASN A 64 -6.068 0.292 12.382 1.00 0.00 ATOM 510 O ASN A 64 -3.505 3.691 14.691 1.00 0.00 ATOM 511 C ASN A 64 -3.165 2.521 14.512 1.00 0.00 ATOM 512 N ARG A 65 -2.093 1.988 15.116 1.00 0.00 ATOM 513 CA ARG A 65 -1.299 2.742 16.076 1.00 0.00 ATOM 514 CB ARG A 65 -0.333 1.806 16.833 1.00 0.00 ATOM 515 CG ARG A 65 -0.945 0.622 17.587 1.00 0.00 ATOM 516 CD ARG A 65 0.141 -0.285 18.169 1.00 0.00 ATOM 517 NE ARG A 65 -0.496 -1.213 19.132 1.00 0.00 ATOM 518 CZ ARG A 65 0.179 -2.217 19.706 1.00 0.00 ATOM 519 NH1 ARG A 65 1.471 -2.437 19.485 1.00 0.00 ATOM 520 NH2 ARG A 65 -0.494 -3.000 20.549 1.00 0.00 ATOM 521 O ARG A 65 -0.492 5.000 15.989 1.00 0.00 ATOM 522 C ARG A 65 -0.570 3.911 15.417 1.00 0.00 ATOM 523 N TYR A 66 -0.018 3.669 14.252 1.00 0.00 ATOM 524 CA TYR A 66 0.681 4.751 13.549 1.00 0.00 ATOM 525 CB TYR A 66 1.488 4.167 12.314 1.00 0.00 ATOM 526 CG TYR A 66 2.289 5.204 11.537 1.00 0.00 ATOM 527 CD1 TYR A 66 1.653 6.195 10.788 1.00 0.00 ATOM 528 CD2 TYR A 66 3.684 5.184 11.544 1.00 0.00 ATOM 529 CE1 TYR A 66 2.383 7.137 10.063 1.00 0.00 ATOM 530 CE2 TYR A 66 4.426 6.122 10.821 1.00 0.00 ATOM 531 CZ TYR A 66 3.769 7.094 10.082 1.00 0.00 ATOM 532 OH TYR A 66 4.492 8.018 9.360 1.00 0.00 ATOM 533 O TYR A 66 0.008 7.039 13.422 1.00 0.00 ATOM 534 C TYR A 66 -0.310 5.870 13.237 1.00 0.00 ATOM 535 N ILE A 67 -1.500 5.527 12.759 1.00 0.00 ATOM 536 CA ILE A 67 -2.515 6.540 12.475 1.00 0.00 ATOM 537 CB ILE A 67 -3.739 5.848 11.766 1.00 0.00 ATOM 538 CG1 ILE A 67 -3.361 5.459 10.334 1.00 0.00 ATOM 539 CG2 ILE A 67 -4.970 6.743 11.780 1.00 0.00 ATOM 540 CD1 ILE A 67 -4.401 4.575 9.651 1.00 0.00 ATOM 541 O ILE A 67 -3.153 8.488 13.751 1.00 0.00 ATOM 542 C ILE A 67 -2.896 7.281 13.763 1.00 0.00 ATOM 543 N ARG A 68 -2.922 6.536 14.846 1.00 0.00 ATOM 544 CA ARG A 68 -3.261 7.123 16.140 1.00 0.00 ATOM 545 CB ARG A 68 -3.288 6.041 17.221 1.00 0.00 ATOM 546 CG ARG A 68 -4.456 5.077 17.105 1.00 0.00 ATOM 547 CD ARG A 68 -4.395 4.004 18.182 1.00 0.00 ATOM 548 NE ARG A 68 -5.482 3.036 18.053 1.00 0.00 ATOM 549 CZ ARG A 68 -5.630 1.971 18.831 1.00 0.00 ATOM 550 NH1 ARG A 68 -6.650 1.147 18.642 1.00 0.00 ATOM 551 NH2 ARG A 68 -4.755 1.732 19.798 1.00 0.00 ATOM 552 O ARG A 68 -2.542 9.344 16.778 1.00 0.00 ATOM 553 C ARG A 68 -2.197 8.179 16.541 1.00 0.00 ATOM 554 N THR A 69 -0.942 7.826 16.439 1.00 0.00 ATOM 555 CA THR A 69 0.121 8.746 16.777 1.00 0.00 ATOM 556 CB THR A 69 1.459 7.947 16.894 1.00 0.00 ATOM 557 CG2 THR A 69 2.607 8.860 17.274 1.00 0.00 ATOM 558 OG1 THR A 69 1.311 6.922 17.882 1.00 0.00 ATOM 559 O THR A 69 0.518 11.042 16.221 1.00 0.00 ATOM 560 C THR A 69 0.158 9.932 15.827 1.00 0.00 ATOM 561 N SER A 70 -0.153 9.676 14.562 1.00 0.00 ATOM 562 CA SER A 70 -0.124 10.706 13.528 1.00 0.00 ATOM 563 CB SER A 70 0.301 10.040 12.184 1.00 0.00 ATOM 564 OG SER A 70 -0.740 9.195 11.729 1.00 0.00 ATOM 565 O SER A 70 -1.453 12.460 12.591 1.00 0.00 ATOM 566 C SER A 70 -1.414 11.504 13.366 1.00 0.00 ATOM 567 N GLY A 71 -2.454 11.153 14.148 1.00 0.00 ATOM 568 CA GLY A 71 -3.715 11.869 14.044 1.00 0.00 ATOM 569 O GLY A 71 -5.150 12.637 12.285 1.00 0.00 ATOM 570 C GLY A 71 -4.443 11.720 12.717 1.00 0.00 ATOM 571 N ILE A 72 -4.297 10.561 12.074 1.00 0.00 ATOM 572 CA ILE A 72 -4.953 10.319 10.793 1.00 0.00 ATOM 573 CB ILE A 72 -4.256 9.185 10.042 1.00 0.00 ATOM 574 CG1 ILE A 72 -2.908 9.697 9.526 1.00 0.00 ATOM 575 CG2 ILE A 72 -5.135 8.693 8.896 1.00 0.00 ATOM 576 CD1 ILE A 72 -2.002 8.609 8.977 1.00 0.00 ATOM 577 O ILE A 72 -6.627 9.117 12.017 1.00 0.00 ATOM 578 C ILE A 72 -6.376 9.851 11.062 1.00 0.00 ATOM 579 N ARG A 73 -7.313 10.327 10.250 1.00 0.00 ATOM 580 CA ARG A 73 -8.714 9.949 10.393 1.00 0.00 ATOM 581 CB ARG A 73 -9.559 11.113 10.893 1.00 0.00 ATOM 582 CG ARG A 73 -9.607 12.360 10.021 1.00 0.00 ATOM 583 CD ARG A 73 -10.223 13.488 10.846 1.00 0.00 ATOM 584 NE ARG A 73 -11.493 13.050 11.414 1.00 0.00 ATOM 585 CZ ARG A 73 -11.983 13.459 12.581 1.00 0.00 ATOM 586 NH1 ARG A 73 -11.308 14.336 13.321 1.00 0.00 ATOM 587 NH2 ARG A 73 -13.136 12.961 13.014 1.00 0.00 ATOM 588 O ARG A 73 -8.722 9.703 7.977 1.00 0.00 ATOM 589 C ARG A 73 -9.224 9.411 9.063 1.00 0.00 ATOM 590 N THR A 74 -10.222 8.565 9.100 1.00 0.00 ATOM 591 CA THR A 74 -10.845 8.014 7.918 1.00 0.00 ATOM 592 CB THR A 74 -11.999 7.148 8.216 1.00 0.00 ATOM 593 CG2 THR A 74 -12.559 6.529 6.924 1.00 0.00 ATOM 594 OG1 THR A 74 -11.549 6.116 9.072 1.00 0.00 ATOM 595 O THR A 74 -11.293 9.113 5.820 1.00 0.00 ATOM 596 C THR A 74 -11.429 9.132 7.040 1.00 0.00 ATOM 597 N ASP A 75 -12.103 10.097 7.661 1.00 0.00 ATOM 598 CA ASP A 75 -12.677 11.189 6.874 1.00 0.00 ATOM 599 CB ASP A 75 -13.518 12.122 7.755 1.00 0.00 ATOM 600 CG ASP A 75 -14.736 11.433 8.338 1.00 0.00 ATOM 601 OD1 ASP A 75 -15.153 10.388 7.793 1.00 0.00 ATOM 602 OD2 ASP A 75 -15.284 11.948 9.342 1.00 0.00 ATOM 603 O ASP A 75 -11.700 12.316 4.979 1.00 0.00 ATOM 604 C ASP A 75 -11.591 11.996 6.167 1.00 0.00 ATOM 605 N THR A 76 -10.496 12.247 6.873 1.00 0.00 ATOM 606 CA THR A 76 -9.427 12.994 6.259 1.00 0.00 ATOM 607 CB THR A 76 -8.415 13.444 7.315 1.00 0.00 ATOM 608 CG2 THR A 76 -7.124 13.964 6.677 1.00 0.00 ATOM 609 OG1 THR A 76 -9.013 14.521 8.056 1.00 0.00 ATOM 610 O THR A 76 -8.738 12.744 3.959 1.00 0.00 ATOM 611 C THR A 76 -8.824 12.223 5.076 1.00 0.00 ATOM 612 N ALA A 77 -8.548 10.945 5.276 1.00 0.00 ATOM 613 CA ALA A 77 -7.979 10.126 4.216 1.00 0.00 ATOM 614 CB ALA A 77 -7.505 8.812 4.835 1.00 0.00 ATOM 615 O ALA A 77 -8.449 9.640 1.912 1.00 0.00 ATOM 616 C ALA A 77 -8.906 9.880 3.027 1.00 0.00 ATOM 617 N THR A 78 -10.212 9.972 3.268 1.00 0.00 ATOM 618 CA THR A 78 -11.189 9.726 2.217 1.00 0.00 ATOM 619 CB THR A 78 -12.433 8.928 2.736 1.00 0.00 ATOM 620 CG2 THR A 78 -12.010 7.691 3.502 1.00 0.00 ATOM 621 OG1 THR A 78 -13.223 9.775 3.584 1.00 0.00 ATOM 622 O THR A 78 -12.398 10.870 0.488 1.00 0.00 ATOM 623 C THR A 78 -11.701 10.978 1.494 1.00 0.00 ATOM 624 N ARG A 79 -11.370 12.163 2.016 1.00 0.00 ATOM 625 CA ARG A 79 -11.846 13.398 1.425 1.00 0.00 ATOM 626 CB ARG A 79 -11.344 14.609 2.232 1.00 0.00 ATOM 627 CG ARG A 79 -11.678 15.922 1.547 1.00 0.00 ATOM 628 CD ARG A 79 -11.593 17.124 2.472 1.00 0.00 ATOM 629 NE ARG A 79 -12.195 18.278 1.813 1.00 0.00 ATOM 630 CZ ARG A 79 -12.596 19.381 2.428 1.00 0.00 ATOM 631 NH1 ARG A 79 -12.460 19.505 3.744 1.00 0.00 ATOM 632 NH2 ARG A 79 -13.155 20.352 1.721 1.00 0.00 ATOM 633 O ARG A 79 -12.108 13.895 -0.890 1.00 0.00 ATOM 634 C ARG A 79 -11.333 13.556 0.002 1.00 0.00 ATOM 635 N LEU A 80 -10.066 13.251 -0.245 1.00 0.00 ATOM 636 CA LEU A 80 -9.506 13.391 -1.600 1.00 0.00 ATOM 637 CB LEU A 80 -8.077 13.152 -1.696 1.00 0.00 ATOM 638 CG LEU A 80 -7.276 14.417 -2.014 1.00 0.00 ATOM 639 CD1 LEU A 80 -7.956 15.666 -1.448 1.00 0.00 ATOM 640 CD2 LEU A 80 -5.875 14.254 -1.454 1.00 0.00 ATOM 641 O LEU A 80 -10.447 12.776 -3.737 1.00 0.00 ATOM 642 C LEU A 80 -10.100 12.397 -2.607 1.00 0.00 ATOM 643 N GLU A 81 -10.237 11.137 -2.189 1.00 0.00 ATOM 644 CA GLU A 81 -10.809 10.089 -3.041 1.00 0.00 ATOM 645 CB GLU A 81 -10.877 8.769 -2.288 1.00 0.00 ATOM 646 CG GLU A 81 -9.522 8.290 -1.781 1.00 0.00 ATOM 647 CD GLU A 81 -9.602 7.015 -0.961 1.00 0.00 ATOM 648 OE1 GLU A 81 -8.575 6.633 -0.358 1.00 0.00 ATOM 649 OE2 GLU A 81 -10.681 6.387 -0.922 1.00 0.00 ATOM 650 O GLU A 81 -12.605 10.399 -4.580 1.00 0.00 ATOM 651 C GLU A 81 -12.240 10.422 -3.410 1.00 0.00 ATOM 652 N HIS A 82 -13.036 10.792 -2.430 1.00 0.00 ATOM 653 CA HIS A 82 -14.438 11.113 -2.672 1.00 0.00 ATOM 654 CB HIS A 82 -15.168 11.177 -1.290 1.00 0.00 ATOM 655 CG HIS A 82 -16.586 11.651 -1.365 1.00 0.00 ATOM 656 CD2 HIS A 82 -17.116 12.893 -1.258 1.00 0.00 ATOM 657 ND1 HIS A 82 -17.644 10.800 -1.590 1.00 0.00 ATOM 658 CE1 HIS A 82 -18.767 11.496 -1.622 1.00 0.00 ATOM 659 NE2 HIS A 82 -18.474 12.769 -1.424 1.00 0.00 ATOM 660 O HIS A 82 -15.435 12.477 -4.432 1.00 0.00 ATOM 661 C HIS A 82 -14.592 12.398 -3.546 1.00 0.00 ATOM 662 N HIS A 83 -13.775 13.395 -3.282 1.00 0.00 ATOM 663 CA HIS A 83 -13.811 14.662 -4.022 1.00 0.00 ATOM 664 CB HIS A 83 -12.871 15.680 -3.355 1.00 0.00 ATOM 665 CG HIS A 83 -13.076 17.081 -3.826 1.00 0.00 ATOM 666 CD2 HIS A 83 -13.899 18.059 -3.387 1.00 0.00 ATOM 667 ND1 HIS A 83 -12.407 17.600 -4.910 1.00 0.00 ATOM 668 CE1 HIS A 83 -12.796 18.845 -5.112 1.00 0.00 ATOM 669 NE2 HIS A 83 -13.694 19.150 -4.197 1.00 0.00 ATOM 670 O HIS A 83 -14.136 14.946 -6.387 1.00 0.00 ATOM 671 C HIS A 83 -13.458 14.439 -5.483 1.00 0.00 ATOM 672 N HIS A 84 -12.493 13.566 -5.735 1.00 0.00 ATOM 673 CA HIS A 84 -12.081 13.269 -7.105 1.00 0.00 ATOM 674 CB HIS A 84 -10.940 12.319 -7.161 1.00 0.00 ATOM 675 CG HIS A 84 -10.574 11.882 -8.546 1.00 0.00 ATOM 676 CD2 HIS A 84 -10.609 10.662 -9.133 1.00 0.00 ATOM 677 ND1 HIS A 84 -10.100 12.755 -9.502 1.00 0.00 ATOM 678 CE1 HIS A 84 -9.854 12.090 -10.618 1.00 0.00 ATOM 679 NE2 HIS A 84 -10.157 10.820 -10.421 1.00 0.00 ATOM 680 O HIS A 84 -13.464 12.898 -9.046 1.00 0.00 ATOM 681 C HIS A 84 -13.207 12.583 -7.879 1.00 0.00 ATOM 682 N HIS A 85 -13.854 11.613 -7.235 1.00 0.00 ATOM 683 CA HIS A 85 -14.947 10.867 -7.862 1.00 0.00 ATOM 684 CB HIS A 85 -15.298 9.637 -7.030 1.00 0.00 ATOM 685 CG HIS A 85 -14.524 8.421 -7.411 1.00 0.00 ATOM 686 CD2 HIS A 85 -13.252 8.053 -7.140 1.00 0.00 ATOM 687 ND1 HIS A 85 -15.079 7.389 -8.136 1.00 0.00 ATOM 688 CE1 HIS A 85 -14.172 6.436 -8.301 1.00 0.00 ATOM 689 NE2 HIS A 85 -13.058 6.812 -7.700 1.00 0.00 ATOM 690 O HIS A 85 -16.815 11.585 -9.146 1.00 0.00 ATOM 691 C HIS A 85 -16.191 11.725 -8.102 1.00 0.00 ATOM 692 N HIS A 86 -16.500 12.635 -7.187 1.00 0.00 ATOM 693 CA HIS A 86 -17.577 13.616 -7.384 1.00 0.00 ATOM 694 CB HIS A 86 -17.812 14.399 -6.081 1.00 0.00 ATOM 695 CG HIS A 86 -19.087 15.172 -6.070 1.00 0.00 ATOM 696 CD2 HIS A 86 -20.338 14.829 -5.690 1.00 0.00 ATOM 697 ND1 HIS A 86 -19.166 16.468 -6.531 1.00 0.00 ATOM 698 CE1 HIS A 86 -20.412 16.894 -6.422 1.00 0.00 ATOM 699 NE2 HIS A 86 -21.139 15.923 -5.907 1.00 0.00 ATOM 700 O HIS A 86 -18.136 14.840 -9.376 1.00 0.00 ATOM 701 C HIS A 86 -17.265 14.530 -8.555 1.00 0.00 ATOM 702 N HIS A 87 -16.000 14.908 -8.684 1.00 0.00 ATOM 703 CA HIS A 87 -15.601 15.777 -9.790 1.00 0.00 ATOM 704 CB HIS A 87 -14.779 16.952 -9.253 1.00 0.00 ATOM 705 CG HIS A 87 -15.545 17.869 -8.353 1.00 0.00 ATOM 706 CD2 HIS A 87 -15.517 18.022 -7.007 1.00 0.00 ATOM 707 ND1 HIS A 87 -16.491 18.755 -8.820 1.00 0.00 ATOM 708 CE1 HIS A 87 -17.014 19.413 -7.802 1.00 0.00 ATOM 709 NE2 HIS A 87 -16.441 18.989 -6.690 1.00 0.00 ATOM 710 O HIS A 87 -14.773 15.509 -12.026 1.00 0.00 ATOM 711 C HIS A 87 -14.777 15.085 -10.871 1.00 0.00 ENDMDL EXPDTA 2hjjA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hjjA ATOM 1 N GLY 10 11.624 3.342 4.919 1.00 0.00 ATOM 2 CA GLY 10 10.677 4.415 5.181 1.00 0.00 ATOM 3 O GLY 10 8.707 3.661 4.057 1.00 0.00 ATOM 4 C GLY 10 9.589 4.518 4.125 1.00 0.00 ATOM 5 N PRO 11 9.608 5.581 3.301 1.00 0.00 ATOM 6 CA PRO 11 8.653 5.743 2.211 1.00 0.00 ATOM 7 CB PRO 11 8.792 7.215 1.825 1.00 0.00 ATOM 8 CG PRO 11 10.169 7.607 2.238 1.00 0.00 ATOM 9 CD PRO 11 10.555 6.708 3.383 1.00 0.00 ATOM 10 O PRO 11 10.009 4.166 0.998 1.00 0.00 ATOM 11 C PRO 11 8.978 4.843 1.022 1.00 0.00 ATOM 12 N PHE 12 8.105 4.847 0.031 1.00 0.00 ATOM 13 CA PHE 12 8.274 3.995 -1.138 1.00 0.00 ATOM 14 CB PHE 12 7.217 2.886 -1.153 1.00 0.00 ATOM 15 CG PHE 12 5.790 3.367 -1.064 1.00 0.00 ATOM 16 CD1 PHE 12 5.265 3.800 0.142 1.00 0.00 ATOM 17 CD2 PHE 12 4.969 3.363 -2.179 1.00 0.00 ATOM 18 CE1 PHE 12 3.955 4.216 0.236 1.00 0.00 ATOM 19 CE2 PHE 12 3.654 3.782 -2.089 1.00 0.00 ATOM 20 CZ PHE 12 3.149 4.209 -0.879 1.00 0.00 ATOM 21 O PHE 12 8.119 6.031 -2.392 1.00 0.00 ATOM 22 C PHE 12 8.202 4.807 -2.422 1.00 0.00 ATOM 23 N THR 13 8.244 4.113 -3.545 1.00 0.00 ATOM 24 CA THR 13 8.156 4.748 -4.847 1.00 0.00 ATOM 25 CB THR 13 9.447 4.536 -5.666 1.00 0.00 ATOM 26 CG2 THR 13 10.666 4.967 -4.870 1.00 0.00 ATOM 27 OG1 THR 13 9.588 3.153 -6.025 1.00 0.00 ATOM 28 O THR 13 6.373 3.190 -5.199 1.00 0.00 ATOM 29 C THR 13 6.978 4.177 -5.623 1.00 0.00 ATOM 30 N ARG 14 6.655 4.799 -6.748 1.00 0.00 ATOM 31 CA ARG 14 5.606 4.304 -7.630 1.00 0.00 ATOM 32 CB ARG 14 5.461 5.241 -8.825 1.00 0.00 ATOM 33 CG ARG 14 4.090 5.194 -9.486 1.00 0.00 ATOM 34 CD ARG 14 3.871 6.392 -10.400 1.00 0.00 ATOM 35 NE ARG 14 2.602 6.311 -11.126 1.00 0.00 ATOM 36 CZ ARG 14 1.484 6.941 -10.760 1.00 0.00 ATOM 37 NH1 ARG 14 1.464 7.703 -9.674 1.00 0.00 ATOM 38 NH2 ARG 14 0.386 6.833 -11.495 1.00 0.00 ATOM 39 O ARG 14 5.069 2.032 -8.205 1.00 0.00 ATOM 40 C ARG 14 5.940 2.894 -8.104 1.00 0.00 ATOM 41 N ARG 15 7.217 2.672 -8.394 1.00 0.00 ATOM 42 CA ARG 15 7.694 1.360 -8.806 1.00 0.00 ATOM 43 CB ARG 15 9.147 1.430 -9.269 1.00 0.00 ATOM 44 CG ARG 15 9.400 2.405 -10.406 1.00 0.00 ATOM 45 CD ARG 15 10.689 2.073 -11.140 1.00 0.00 ATOM 46 NE ARG 15 11.803 1.809 -10.226 1.00 0.00 ATOM 47 CZ ARG 15 13.055 1.576 -10.624 1.00 0.00 ATOM 48 NH1 ARG 15 13.368 1.615 -11.913 1.00 0.00 ATOM 49 NH2 ARG 15 13.996 1.298 -9.730 1.00 0.00 ATOM 50 O ARG 15 6.997 -0.723 -7.845 1.00 0.00 ATOM 51 C ARG 15 7.574 0.349 -7.668 1.00 0.00 ATOM 52 N GLN 16 8.120 0.699 -6.502 1.00 0.00 ATOM 53 CA GLN 16 8.069 -0.181 -5.334 1.00 0.00 ATOM 54 CB GLN 16 8.724 0.485 -4.125 1.00 0.00 ATOM 55 CG GLN 16 10.243 0.417 -4.122 1.00 0.00 ATOM 56 CD GLN 16 10.754 -0.988 -3.867 1.00 0.00 ATOM 57 OE1 GLN 16 10.104 -1.783 -3.192 1.00 0.00 ATOM 58 NE2 GLN 16 11.929 -1.300 -4.387 1.00 0.00 ATOM 59 O GLN 16 6.323 -1.721 -4.799 1.00 0.00 ATOM 60 C GLN 16 6.633 -0.551 -4.997 1.00 0.00 ATOM 61 N ALA 17 5.763 0.457 -4.951 1.00 0.00 ATOM 62 CA ALA 17 4.338 0.242 -4.683 1.00 0.00 ATOM 63 CB ALA 17 3.560 1.531 -4.901 1.00 0.00 ATOM 64 O ALA 17 3.158 -1.817 -5.082 1.00 0.00 ATOM 65 C ALA 17 3.776 -0.864 -5.570 1.00 0.00 ATOM 66 N GLN 18 4.021 -0.746 -6.870 1.00 0.00 ATOM 67 CA GLN 18 3.562 -1.731 -7.836 1.00 0.00 ATOM 68 CB GLN 18 4.070 -1.371 -9.226 1.00 0.00 ATOM 69 CG GLN 18 3.352 -0.190 -9.856 1.00 0.00 ATOM 70 CD GLN 18 3.994 0.254 -11.155 1.00 0.00 ATOM 71 OE1 GLN 18 3.651 -0.232 -12.233 1.00 0.00 ATOM 72 NE2 GLN 18 4.938 1.177 -11.060 1.00 0.00 ATOM 73 O GLN 18 3.274 -4.092 -7.576 1.00 0.00 ATOM 74 C GLN 18 4.031 -3.133 -7.468 1.00 0.00 ATOM 75 N ALA 19 5.268 -3.242 -7.005 1.00 0.00 ATOM 76 CA ALA 19 5.861 -4.533 -6.680 1.00 0.00 ATOM 77 CB ALA 19 7.363 -4.387 -6.488 1.00 0.00 ATOM 78 O ALA 19 5.168 -6.376 -5.301 1.00 0.00 ATOM 79 C ALA 19 5.226 -5.150 -5.437 1.00 0.00 ATOM 80 N VAL 20 4.686 -4.310 -4.561 1.00 0.00 ATOM 81 CA VAL 20 4.181 -4.788 -3.285 1.00 0.00 ATOM 82 CB VAL 20 4.286 -3.718 -2.171 1.00 0.00 ATOM 83 CG1 VAL 20 3.988 -4.323 -0.808 1.00 0.00 ATOM 84 CG2 VAL 20 5.659 -3.066 -2.167 1.00 0.00 ATOM 85 O VAL 20 2.166 -5.965 -2.749 1.00 0.00 ATOM 86 C VAL 20 2.736 -5.164 -3.481 1.00 0.00 ATOM 87 N THR 21 2.185 -4.621 -4.546 1.00 0.00 ATOM 88 CA THR 21 0.791 -4.781 -4.855 1.00 0.00 ATOM 89 CB THR 21 0.229 -3.479 -5.428 1.00 0.00 ATOM 90 CG2 THR 21 -1.266 -3.542 -5.471 1.00 0.00 ATOM 91 OG1 THR 21 0.625 -2.372 -4.607 1.00 0.00 ATOM 92 O THR 21 -0.381 -6.584 -5.932 1.00 0.00 ATOM 93 C THR 21 0.644 -5.907 -5.858 1.00 0.00 ATOM 94 N THR 22 1.696 -6.084 -6.636 1.00 0.00 ATOM 95 CA THR 22 1.846 -7.250 -7.469 1.00 0.00 ATOM 96 CB THR 22 3.106 -7.115 -8.342 1.00 0.00 ATOM 97 CG2 THR 22 3.445 -8.418 -9.032 1.00 0.00 ATOM 98 OG1 THR 22 2.916 -6.077 -9.312 1.00 0.00 ATOM 99 O THR 22 1.406 -9.545 -6.893 1.00 0.00 ATOM 100 C THR 22 1.946 -8.483 -6.581 1.00 0.00 ATOM 101 N THR 23 2.633 -8.319 -5.457 1.00 0.00 ATOM 102 CA THR 23 2.733 -9.373 -4.472 1.00 0.00 ATOM 103 CB THR 23 3.912 -9.124 -3.518 1.00 0.00 ATOM 104 CG2 THR 23 4.103 -10.297 -2.565 1.00 0.00 ATOM 105 OG1 THR 23 5.109 -8.929 -4.281 1.00 0.00 ATOM 106 O THR 23 0.815 -10.558 -3.649 1.00 0.00 ATOM 107 C THR 23 1.432 -9.494 -3.678 1.00 0.00 ATOM 108 N TYR 24 0.999 -8.409 -3.047 1.00 0.00 ATOM 109 CA TYR 24 -0.206 -8.446 -2.262 1.00 0.00 ATOM 110 CB TYR 24 0.052 -7.808 -0.894 1.00 0.00 ATOM 111 CG TYR 24 1.234 -8.413 -0.165 1.00 0.00 ATOM 112 CD1 TYR 24 1.130 -9.630 0.491 1.00 0.00 ATOM 113 CD2 TYR 24 2.463 -7.764 -0.152 1.00 0.00 ATOM 114 CE1 TYR 24 2.220 -10.187 1.136 1.00 0.00 ATOM 115 CE2 TYR 24 3.554 -8.311 0.494 1.00 0.00 ATOM 116 CZ TYR 24 3.429 -9.522 1.137 1.00 0.00 ATOM 117 OH TYR 24 4.520 -10.080 1.769 1.00 0.00 ATOM 118 O TYR 24 -1.386 -6.502 -3.027 1.00 0.00 ATOM 119 C TYR 24 -1.321 -7.727 -3.012 1.00 0.00 ATOM 120 N SER 25 -2.178 -8.501 -3.660 1.00 0.00 ATOM 121 CA SER 25 -3.278 -7.957 -4.447 1.00 0.00 ATOM 122 CB SER 25 -3.882 -9.069 -5.299 1.00 0.00 ATOM 123 OG SER 25 -3.982 -10.271 -4.550 1.00 0.00 ATOM 124 O SER 25 -5.313 -6.741 -4.029 1.00 0.00 ATOM 125 C SER 25 -4.341 -7.332 -3.551 1.00 0.00 ATOM 126 N ASN 26 -4.147 -7.467 -2.248 1.00 0.00 ATOM 127 CA ASN 26 -5.030 -6.854 -1.277 1.00 0.00 ATOM 128 CB ASN 26 -4.990 -7.620 0.051 1.00 0.00 ATOM 129 CG ASN 26 -3.638 -7.549 0.741 1.00 0.00 ATOM 130 ND2 ASN 26 -3.528 -6.698 1.748 1.00 0.00 ATOM 131 OD1 ASN 26 -2.715 -8.287 0.398 1.00 0.00 ATOM 132 O ASN 26 -5.333 -4.648 -0.400 1.00 0.00 ATOM 133 C ASN 26 -4.639 -5.396 -1.076 1.00 0.00 ATOM 134 N ILE 27 -3.519 -4.999 -1.670 1.00 0.00 ATOM 135 CA ILE 27 -3.116 -3.603 -1.670 1.00 0.00 ATOM 136 CB ILE 27 -1.577 -3.436 -1.692 1.00 0.00 ATOM 137 CG1 ILE 27 -0.881 -4.521 -0.861 1.00 0.00 ATOM 138 CG2 ILE 27 -1.186 -2.048 -1.198 1.00 0.00 ATOM 139 CD1 ILE 27 0.577 -4.230 -0.578 1.00 0.00 ATOM 140 O ILE 27 -4.057 -3.610 -3.868 1.00 0.00 ATOM 141 C ILE 27 -3.705 -2.930 -2.906 1.00 0.00 ATOM 142 N THR 28 -3.831 -1.610 -2.887 1.00 0.00 ATOM 143 CA THR 28 -4.363 -0.891 -4.035 1.00 0.00 ATOM 144 CB THR 28 -5.906 -0.884 -4.036 1.00 0.00 ATOM 145 CG2 THR 28 -6.444 -1.828 -5.099 1.00 0.00 ATOM 146 OG1 THR 28 -6.410 -1.268 -2.744 1.00 0.00 ATOM 147 O THR 28 -3.788 1.222 -3.066 1.00 0.00 ATOM 148 C THR 28 -3.840 0.538 -4.084 1.00 0.00 ATOM 149 N LEU 29 -3.435 0.976 -5.266 1.00 0.00 ATOM 150 CA LEU 29 -2.913 2.323 -5.441 1.00 0.00 ATOM 151 CB LEU 29 -1.832 2.327 -6.534 1.00 0.00 ATOM 152 CG LEU 29 -0.954 3.585 -6.620 1.00 0.00 ATOM 153 CD1 LEU 29 0.324 3.281 -7.379 1.00 0.00 ATOM 154 CD2 LEU 29 -1.690 4.726 -7.305 1.00 0.00 ATOM 155 O LEU 29 -4.618 3.197 -6.887 1.00 0.00 ATOM 156 C LEU 29 -4.051 3.274 -5.796 1.00 0.00 ATOM 157 N GLU 30 -4.399 4.153 -4.867 1.00 0.00 ATOM 158 CA GLU 30 -5.463 5.121 -5.096 1.00 0.00 ATOM 159 CB GLU 30 -6.728 4.746 -4.313 1.00 0.00 ATOM 160 CG GLU 30 -7.238 3.346 -4.617 1.00 0.00 ATOM 161 CD GLU 30 -8.667 3.132 -4.172 1.00 0.00 ATOM 162 OE1 GLU 30 -8.911 3.040 -2.957 1.00 0.00 ATOM 163 OE2 GLU 30 -9.557 3.041 -5.047 1.00 0.00 ATOM 164 O GLU 30 -3.880 6.692 -4.222 1.00 0.00 ATOM 165 C GLU 30 -5.001 6.519 -4.707 1.00 0.00 ATOM 166 N ASP 31 -5.869 7.505 -4.936 1.00 0.00 ATOM 167 CA ASP 31 -5.565 8.909 -4.641 1.00 0.00 ATOM 168 CB ASP 31 -5.288 9.115 -3.148 1.00 0.00 ATOM 169 CG ASP 31 -6.551 9.082 -2.311 1.00 0.00 ATOM 170 OD1 ASP 31 -7.286 10.089 -2.306 1.00 0.00 ATOM 171 OD2 ASP 31 -6.804 8.059 -1.636 1.00 0.00 ATOM 172 O ASP 31 -3.641 10.283 -5.044 1.00 0.00 ATOM 173 C ASP 31 -4.381 9.392 -5.463 1.00 0.00 ATOM 174 N ASP 32 -4.238 8.823 -6.652 1.00 0.00 ATOM 175 CA ASP 32 -3.101 9.112 -7.516 1.00 0.00 ATOM 176 CB ASP 32 -3.010 8.083 -8.642 1.00 0.00 ATOM 177 CG ASP 32 -1.849 8.347 -9.581 1.00 0.00 ATOM 178 OD1 ASP 32 -1.954 7.990 -10.772 1.00 0.00 ATOM 179 OD2 ASP 32 -0.824 8.905 -9.133 1.00 0.00 ATOM 180 O ASP 32 -4.163 10.884 -8.750 1.00 0.00 ATOM 181 C ASP 32 -3.181 10.516 -8.097 1.00 0.00 ATOM 182 N GLN 33 -2.142 11.288 -7.836 1.00 0.00 ATOM 183 CA GLN 33 -2.023 12.650 -8.330 1.00 0.00 ATOM 184 CB GLN 33 -2.293 13.630 -7.179 1.00 0.00 ATOM 185 CG GLN 33 -2.352 15.096 -7.586 1.00 0.00 ATOM 186 CD GLN 33 -2.453 16.021 -6.388 1.00 0.00 ATOM 187 OE1 GLN 33 -1.439 16.447 -5.830 1.00 0.00 ATOM 188 NE2 GLN 33 -3.672 16.341 -5.985 1.00 0.00 ATOM 189 O GLN 33 -0.145 13.977 -9.077 1.00 0.00 ATOM 190 C GLN 33 -0.616 12.853 -8.902 1.00 0.00 ATOM 191 N GLY 34 0.054 11.744 -9.193 1.00 0.00 ATOM 192 CA GLY 34 1.415 11.803 -9.690 1.00 0.00 ATOM 193 O GLY 34 2.660 10.022 -8.691 1.00 0.00 ATOM 194 C GLY 34 2.400 11.224 -8.695 1.00 0.00 ATOM 195 N SER 35 2.946 12.077 -7.844 1.00 0.00 ATOM 196 CA SER 35 3.815 11.621 -6.772 1.00 0.00 ATOM 197 CB SER 35 5.032 12.539 -6.631 1.00 0.00 ATOM 198 OG SER 35 5.996 11.985 -5.748 1.00 0.00 ATOM 199 O SER 35 3.430 10.984 -4.484 1.00 0.00 ATOM 200 C SER 35 3.018 11.585 -5.475 1.00 0.00 ATOM 201 N HIS 36 1.867 12.245 -5.495 1.00 0.00 ATOM 202 CA HIS 36 0.947 12.215 -4.371 1.00 0.00 ATOM 203 CB HIS 36 0.217 13.553 -4.211 1.00 0.00 ATOM 204 CG HIS 36 1.114 14.708 -3.891 1.00 0.00 ATOM 205 CD2 HIS 36 2.245 14.772 -3.155 1.00 0.00 ATOM 206 ND1 HIS 36 0.869 15.990 -4.325 1.00 0.00 ATOM 207 CE1 HIS 36 1.811 16.794 -3.868 1.00 0.00 ATOM 208 NE2 HIS 36 2.662 16.081 -3.150 1.00 0.00 ATOM 209 O HIS 36 -0.928 11.208 -5.442 1.00 0.00 ATOM 210 C HIS 36 -0.067 11.107 -4.579 1.00 0.00 ATOM 211 N PHE 37 0.065 10.043 -3.810 1.00 0.00 ATOM 212 CA PHE 37 -0.847 8.911 -3.884 1.00 0.00 ATOM 213 CB PHE 37 -0.595 8.064 -5.146 1.00 0.00 ATOM 214 CG PHE 37 0.772 7.440 -5.226 1.00 0.00 ATOM 215 CD1 PHE 37 0.995 6.162 -4.737 1.00 0.00 ATOM 216 CD2 PHE 37 1.829 8.126 -5.802 1.00 0.00 ATOM 217 CE1 PHE 37 2.246 5.583 -4.818 1.00 0.00 ATOM 218 CE2 PHE 37 3.083 7.553 -5.885 1.00 0.00 ATOM 219 CZ PHE 37 3.291 6.279 -5.393 1.00 0.00 ATOM 220 O PHE 37 0.326 8.193 -1.933 1.00 0.00 ATOM 221 C PHE 37 -0.679 8.063 -2.638 1.00 0.00 ATOM 222 N ARG 38 -1.649 7.214 -2.351 1.00 0.00 ATOM 223 CA ARG 38 -1.558 6.360 -1.178 1.00 0.00 ATOM 224 CB ARG 38 -2.321 6.966 0.006 1.00 0.00 ATOM 225 CG ARG 38 -3.775 7.302 -0.263 1.00 0.00 ATOM 226 CD ARG 38 -4.407 7.930 0.969 1.00 0.00 ATOM 227 NE ARG 38 -5.731 8.482 0.700 1.00 0.00 ATOM 228 CZ ARG 38 -6.381 9.297 1.532 1.00 0.00 ATOM 229 NH1 ARG 38 -5.827 9.654 2.688 1.00 0.00 ATOM 230 NH2 ARG 38 -7.579 9.763 1.199 1.00 0.00 ATOM 231 O ARG 38 -2.951 4.737 -2.272 1.00 0.00 ATOM 232 C ARG 38 -2.040 4.950 -1.468 1.00 0.00 ATOM 233 N LEU 39 -1.409 3.989 -0.813 1.00 0.00 ATOM 234 CA LEU 39 -1.761 2.597 -0.987 1.00 0.00 ATOM 235 CB LEU 39 -0.534 1.697 -0.871 1.00 0.00 ATOM 236 CG LEU 39 0.538 1.918 -1.931 1.00 0.00 ATOM 237 CD1 LEU 39 1.744 1.043 -1.640 1.00 0.00 ATOM 238 CD2 LEU 39 -0.009 1.623 -3.319 1.00 0.00 ATOM 239 O LEU 39 -2.616 2.388 1.244 1.00 0.00 ATOM 240 C LEU 39 -2.796 2.191 0.039 1.00 0.00 ATOM 241 N VAL 40 -3.883 1.645 -0.449 1.00 0.00 ATOM 242 CA VAL 40 -4.952 1.180 0.405 1.00 0.00 ATOM 243 CB VAL 40 -6.338 1.463 -0.210 1.00 0.00 ATOM 244 CG1 VAL 40 -7.439 1.106 0.774 1.00 0.00 ATOM 245 CG2 VAL 40 -6.451 2.918 -0.637 1.00 0.00 ATOM 246 O VAL 40 -4.973 -1.123 -0.261 1.00 0.00 ATOM 247 C VAL 40 -4.805 -0.312 0.654 1.00 0.00 ATOM 248 N VAL 41 -4.451 -0.661 1.878 1.00 0.00 ATOM 249 CA VAL 41 -4.358 -2.048 2.283 1.00 0.00 ATOM 250 CB VAL 41 -3.443 -2.240 3.512 1.00 0.00 ATOM 251 CG1 VAL 41 -3.422 -3.698 3.922 1.00 0.00 ATOM 252 CG2 VAL 41 -2.030 -1.747 3.233 1.00 0.00 ATOM 253 O VAL 41 -6.391 -2.105 3.564 1.00 0.00 ATOM 254 C VAL 41 -5.746 -2.574 2.620 1.00 0.00 ATOM 255 N ARG 42 -6.207 -3.520 1.829 1.00 0.00 ATOM 256 CA ARG 42 -7.496 -4.148 2.046 1.00 0.00 ATOM 257 CB ARG 42 -8.278 -4.199 0.735 1.00 0.00 ATOM 258 CG ARG 42 -8.705 -2.836 0.221 1.00 0.00 ATOM 259 CD ARG 42 -9.085 -2.903 -1.246 1.00 0.00 ATOM 260 NE ARG 42 -10.231 -2.054 -1.561 1.00 0.00 ATOM 261 CZ ARG 42 -10.252 -1.172 -2.558 1.00 0.00 ATOM 262 NH1 ARG 42 -9.152 -0.918 -3.252 1.00 0.00 ATOM 263 NH2 ARG 42 -11.374 -0.529 -2.843 1.00 0.00 ATOM 264 O ARG 42 -6.184 -6.047 2.687 1.00 0.00 ATOM 265 C ARG 42 -7.310 -5.552 2.597 1.00 0.00 ATOM 266 N ASP 43 -8.410 -6.183 2.974 1.00 0.00 ATOM 267 CA ASP 43 -8.372 -7.553 3.472 1.00 0.00 ATOM 268 CB ASP 43 -9.387 -7.756 4.606 1.00 0.00 ATOM 269 CG ASP 43 -10.783 -8.059 4.093 1.00 0.00 ATOM 270 OD1 ASP 43 -11.394 -7.177 3.469 1.00 0.00 ATOM 271 OD2 ASP 43 -11.252 -9.204 4.281 1.00 0.00 ATOM 272 O ASP 43 -8.722 -8.138 1.169 1.00 0.00 ATOM 273 C ASP 43 -8.674 -8.527 2.338 1.00 0.00 ATOM 274 N THR 44 -8.917 -9.783 2.701 1.00 0.00 ATOM 275 CA THR 44 -9.200 -10.833 1.734 1.00 0.00 ATOM 276 CB THR 44 -9.373 -12.193 2.440 1.00 0.00 ATOM 277 CG2 THR 44 -8.028 -12.778 2.839 1.00 0.00 ATOM 278 OG1 THR 44 -10.192 -12.039 3.611 1.00 0.00 ATOM 279 O THR 44 -10.591 -10.968 -0.221 1.00 0.00 ATOM 280 C THR 44 -10.454 -10.523 0.919 1.00 0.00 ATOM 281 N GLU 45 -11.359 -9.750 1.504 1.00 0.00 ATOM 282 CA GLU 45 -12.595 -9.392 0.838 1.00 0.00 ATOM 283 CB GLU 45 -13.723 -9.267 1.861 1.00 0.00 ATOM 284 CG GLU 45 -15.071 -8.940 1.242 1.00 0.00 ATOM 285 CD GLU 45 -16.210 -9.039 2.231 1.00 0.00 ATOM 286 OE1 GLU 45 -16.554 -8.017 2.861 1.00 0.00 ATOM 287 OE2 GLU 45 -16.772 -10.144 2.376 1.00 0.00 ATOM 288 O GLU 45 -13.097 -7.848 -0.928 1.00 0.00 ATOM 289 C GLU 45 -12.426 -8.086 0.076 1.00 0.00 ATOM 290 N GLY 46 -11.516 -7.249 0.548 1.00 0.00 ATOM 291 CA GLY 46 -11.297 -5.969 -0.086 1.00 0.00 ATOM 292 O GLY 46 -12.029 -3.714 0.217 1.00 0.00 ATOM 293 C GLY 46 -11.809 -4.806 0.743 1.00 0.00 ATOM 294 N ARG 47 -11.999 -5.031 2.035 1.00 0.00 ATOM 295 CA ARG 47 -12.406 -3.972 2.936 1.00 0.00 ATOM 296 CB ARG 47 -13.009 -4.560 4.206 1.00 0.00 ATOM 297 CG ARG 47 -14.248 -5.408 3.975 1.00 0.00 ATOM 298 CD ARG 47 -14.819 -5.904 5.292 1.00 0.00 ATOM 299 NE ARG 47 -15.961 -6.794 5.105 1.00 0.00 ATOM 300 CZ ARG 47 -16.939 -6.940 5.995 1.00 0.00 ATOM 301 NH1 ARG 47 -16.969 -6.178 7.083 1.00 0.00 ATOM 302 NH2 ARG 47 -17.899 -7.829 5.787 1.00 0.00 ATOM 303 O ARG 47 -10.092 -3.609 3.427 1.00 0.00 ATOM 304 C ARG 47 -11.207 -3.105 3.296 1.00 0.00 ATOM 305 N MET 48 -11.436 -1.808 3.442 1.00 0.00 ATOM 306 CA MET 48 -10.369 -0.877 3.800 1.00 0.00 ATOM 307 CB MET 48 -10.856 0.573 3.745 1.00 0.00 ATOM 308 CG MET 48 -11.679 0.917 2.514 1.00 0.00 ATOM 309 SD MET 48 -10.755 0.740 0.980 1.00 0.00 ATOM 310 CE MET 48 -11.965 1.323 -0.203 1.00 0.00 ATOM 311 O MET 48 -10.608 -1.004 6.180 1.00 0.00 ATOM 312 C MET 48 -9.868 -1.166 5.210 1.00 0.00 ATOM 313 N VAL 49 -8.624 -1.598 5.326 1.00 0.00 ATOM 314 CA VAL 49 -8.041 -1.860 6.632 1.00 0.00 ATOM 315 CB VAL 49 -7.282 -3.204 6.661 1.00 0.00 ATOM 316 CG1 VAL 49 -6.767 -3.499 8.063 1.00 0.00 ATOM 317 CG2 VAL 49 -8.173 -4.337 6.167 1.00 0.00 ATOM 318 O VAL 49 -7.016 -0.362 8.201 1.00 0.00 ATOM 319 C VAL 49 -7.094 -0.733 7.031 1.00 0.00 ATOM 320 N TRP 50 -6.400 -0.173 6.047 1.00 0.00 ATOM 321 CA TRP 50 -5.382 0.839 6.308 1.00 0.00 ATOM 322 CB TRP 50 -4.213 0.208 7.078 1.00 0.00 ATOM 323 CG TRP 50 -3.057 1.136 7.305 1.00 0.00 ATOM 324 CD1 TRP 50 -1.893 1.182 6.591 1.00 0.00 ATOM 325 CD2 TRP 50 -2.949 2.145 8.313 1.00 0.00 ATOM 326 CE2 TRP 50 -1.697 2.766 8.149 1.00 0.00 ATOM 327 CE3 TRP 50 -3.792 2.585 9.337 1.00 0.00 ATOM 328 NE1 TRP 50 -1.071 2.161 7.092 1.00 0.00 ATOM 329 CZ2 TRP 50 -1.268 3.805 8.971 1.00 0.00 ATOM 330 CZ3 TRP 50 -3.365 3.616 10.152 1.00 0.00 ATOM 331 CH2 TRP 50 -2.113 4.215 9.964 1.00 0.00 ATOM 332 O TRP 50 -4.439 0.736 4.112 1.00 0.00 ATOM 333 C TRP 50 -4.874 1.450 5.007 1.00 0.00 ATOM 334 N ARG 51 -4.932 2.767 4.902 1.00 0.00 ATOM 335 CA ARG 51 -4.385 3.456 3.743 1.00 0.00 ATOM 336 CB ARG 51 -5.488 4.186 2.961 1.00 0.00 ATOM 337 CG ARG 51 -6.263 5.210 3.776 1.00 0.00 ATOM 338 CD ARG 51 -7.258 5.976 2.916 1.00 0.00 ATOM 339 NE ARG 51 -8.332 5.124 2.410 1.00 0.00 ATOM 340 CZ ARG 51 -8.788 5.158 1.154 1.00 0.00 ATOM 341 NH1 ARG 51 -8.237 5.970 0.258 1.00 0.00 ATOM 342 NH2 ARG 51 -9.798 4.375 0.801 1.00 0.00 ATOM 343 O ARG 51 -3.506 5.280 5.039 1.00 0.00 ATOM 344 C ARG 51 -3.291 4.429 4.175 1.00 0.00 ATOM 345 N ALA 52 -2.113 4.289 3.586 1.00 0.00 ATOM 346 CA ALA 52 -0.980 5.136 3.934 1.00 0.00 ATOM 347 CB ALA 52 0.091 4.329 4.655 1.00 0.00 ATOM 348 O ALA 52 -0.380 5.197 1.615 1.00 0.00 ATOM 349 C ALA 52 -0.408 5.801 2.691 1.00 0.00 ATOM 350 N TRP 53 0.030 7.046 2.839 1.00 0.00 ATOM 351 CA TRP 53 0.552 7.813 1.721 1.00 0.00 ATOM 352 CB TRP 53 0.668 9.290 2.081 1.00 0.00 ATOM 353 CG TRP 53 -0.622 9.995 2.180 1.00 0.00 ATOM 354 CD1 TRP 53 -1.231 10.324 3.322 1.00 0.00 ATOM 355 CD2 TRP 53 -1.443 10.486 1.113 1.00 0.00 ATOM 356 CE2 TRP 53 -2.556 11.097 1.708 1.00 0.00 ATOM 357 CE3 TRP 53 -1.350 10.467 -0.281 1.00 0.00 ATOM 358 NE1 TRP 53 -2.401 10.981 3.063 1.00 0.00 ATOM 359 CZ2 TRP 53 -3.574 11.686 0.963 1.00 0.00 ATOM 360 CZ3 TRP 53 -2.359 11.052 -1.024 1.00 0.00 ATOM 361 CH2 TRP 53 -3.458 11.655 -0.400 1.00 0.00 ATOM 362 O TRP 53 2.440 6.331 1.774 1.00 0.00 ATOM 363 C TRP 53 1.911 7.319 1.276 1.00 0.00 ATOM 364 N ASN 54 2.469 8.064 0.348 1.00 0.00 ATOM 365 CA ASN 54 3.743 7.726 -0.270 1.00 0.00 ATOM 366 CB ASN 54 3.670 7.942 -1.787 1.00 0.00 ATOM 367 CG ASN 54 5.028 7.843 -2.454 1.00 0.00 ATOM 368 ND2 ASN 54 5.434 6.632 -2.786 1.00 0.00 ATOM 369 OD1 ASN 54 5.707 8.847 -2.659 1.00 0.00 ATOM 370 O ASN 54 5.939 8.053 0.638 1.00 0.00 ATOM 371 C ASN 54 4.869 8.564 0.316 1.00 0.00 ATOM 372 N PHE 55 4.598 9.849 0.483 1.00 0.00 ATOM 373 CA PHE 55 5.608 10.809 0.911 1.00 0.00 ATOM 374 CB PHE 55 5.236 12.204 0.398 1.00 0.00 ATOM 375 CG PHE 55 3.778 12.530 0.566 1.00 0.00 ATOM 376 CD1 PHE 55 2.893 12.351 -0.487 1.00 0.00 ATOM 377 CD2 PHE 55 3.291 13.005 1.772 1.00 0.00 ATOM 378 CE1 PHE 55 1.552 12.640 -0.338 1.00 0.00 ATOM 379 CE2 PHE 55 1.951 13.297 1.924 1.00 0.00 ATOM 380 CZ PHE 55 1.081 13.115 0.869 1.00 0.00 ATOM 381 O PHE 55 6.444 11.700 2.979 1.00 0.00 ATOM 382 C PHE 55 5.773 10.825 2.429 1.00 0.00 ATOM 383 N GLU 56 5.171 9.854 3.099 1.00 0.00 ATOM 384 CA GLU 56 5.280 9.750 4.546 1.00 0.00 ATOM 385 CB GLU 56 4.169 8.865 5.114 1.00 0.00 ATOM 386 CG GLU 56 2.777 9.438 4.905 1.00 0.00 ATOM 387 CD GLU 56 2.596 10.792 5.560 1.00 0.00 ATOM 388 OE1 GLU 56 2.900 11.817 4.919 1.00 0.00 ATOM 389 OE2 GLU 56 2.142 10.840 6.724 1.00 0.00 ATOM 390 O GLU 56 7.091 8.188 4.385 1.00 0.00 ATOM 391 C GLU 56 6.647 9.202 4.932 1.00 0.00 ATOM 392 N PRO 57 7.323 9.872 5.887 1.00 0.00 ATOM 393 CA PRO 57 8.696 9.549 6.303 1.00 0.00 ATOM 394 CB PRO 57 8.889 10.336 7.610 1.00 0.00 ATOM 395 CG PRO 57 7.551 10.917 7.940 1.00 0.00 ATOM 396 CD PRO 57 6.800 11.015 6.646 1.00 0.00 ATOM 397 O PRO 57 9.985 7.533 6.236 1.00 0.00 ATOM 398 C PRO 57 8.919 8.060 6.543 1.00 0.00 ATOM 399 N ASP 58 7.917 7.390 7.092 1.00 0.00 ATOM 400 CA ASP 58 7.973 5.946 7.262 1.00 0.00 ATOM 401 CB ASP 58 8.410 5.561 8.681 1.00 0.00 ATOM 402 CG ASP 58 9.884 5.805 8.936 1.00 0.00 ATOM 403 OD1 ASP 58 10.710 4.949 8.542 1.00 0.00 ATOM 404 OD2 ASP 58 10.222 6.844 9.545 1.00 0.00 ATOM 405 O ASP 58 5.975 4.758 7.828 1.00 0.00 ATOM 406 C ASP 58 6.620 5.327 6.952 1.00 0.00 ATOM 407 N ALA 59 6.176 5.462 5.705 1.00 0.00 ATOM 408 CA ALA 59 4.912 4.865 5.281 1.00 0.00 ATOM 409 CB ALA 59 4.600 5.257 3.848 1.00 0.00 ATOM 410 O ALA 59 3.989 2.704 5.828 1.00 0.00 ATOM 411 C ALA 59 4.964 3.348 5.417 1.00 0.00 ATOM 412 N GLY 60 6.124 2.787 5.096 1.00 0.00 ATOM 413 CA GLY 60 6.313 1.355 5.165 1.00 0.00 ATOM 414 O GLY 60 5.846 -0.365 6.731 1.00 0.00 ATOM 415 C GLY 60 6.160 0.803 6.564 1.00 0.00 ATOM 416 N GLU 61 6.363 1.647 7.564 1.00 0.00 ATOM 417 CA GLU 61 6.281 1.226 8.957 1.00 0.00 ATOM 418 CB GLU 61 6.561 2.431 9.859 1.00 0.00 ATOM 419 CG GLU 61 7.355 2.109 11.116 1.00 0.00 ATOM 420 CD GLU 61 6.584 1.262 12.102 1.00 0.00 ATOM 421 OE1 GLU 61 7.063 0.169 12.457 1.00 0.00 ATOM 422 OE2 GLU 61 5.494 1.689 12.533 1.00 0.00 ATOM 423 O GLU 61 4.771 -0.492 9.740 1.00 0.00 ATOM 424 C GLU 61 4.896 0.638 9.252 1.00 0.00 ATOM 425 N GLY 62 3.856 1.392 8.905 1.00 0.00 ATOM 426 CA GLY 62 2.499 0.934 9.138 1.00 0.00 ATOM 427 O GLY 62 1.451 -1.149 8.598 1.00 0.00 ATOM 428 C GLY 62 2.114 -0.187 8.198 1.00 0.00 ATOM 429 N LEU 63 2.547 -0.067 6.949 1.00 0.00 ATOM 430 CA LEU 63 2.261 -1.080 5.939 1.00 0.00 ATOM 431 CB LEU 63 2.795 -0.623 4.579 1.00 0.00 ATOM 432 CG LEU 63 2.216 0.700 4.071 1.00 0.00 ATOM 433 CD1 LEU 63 2.918 1.137 2.799 1.00 0.00 ATOM 434 CD2 LEU 63 0.720 0.577 3.831 1.00 0.00 ATOM 435 O LEU 63 2.200 -3.456 6.270 1.00 0.00 ATOM 436 C LEU 63 2.870 -2.426 6.327 1.00 0.00 ATOM 437 N ASN 64 4.130 -2.408 6.750 1.00 0.00 ATOM 438 CA ASN 64 4.829 -3.633 7.136 1.00 0.00 ATOM 439 CB ASN 64 6.315 -3.365 7.397 1.00 0.00 ATOM 440 CG ASN 64 7.102 -3.079 6.128 1.00 0.00 ATOM 441 ND2 ASN 64 8.177 -2.316 6.255 1.00 0.00 ATOM 442 OD1 ASN 64 6.750 -3.542 5.044 1.00 0.00 ATOM 443 O ASN 64 4.245 -5.475 8.546 1.00 0.00 ATOM 444 C ASN 64 4.199 -4.258 8.370 1.00 0.00 ATOM 445 N ARG 65 3.616 -3.426 9.226 1.00 0.00 ATOM 446 CA ARG 65 2.915 -3.923 10.405 1.00 0.00 ATOM 447 CB ARG 65 2.533 -2.774 11.336 1.00 0.00 ATOM 448 CG ARG 65 1.734 -3.205 12.560 1.00 0.00 ATOM 449 CD ARG 65 1.868 -2.191 13.681 1.00 0.00 ATOM 450 NE ARG 65 3.251 -2.089 14.133 1.00 0.00 ATOM 451 CZ ARG 65 4.088 -1.132 13.741 1.00 0.00 ATOM 452 NH1 ARG 65 3.635 -0.091 13.051 1.00 0.00 ATOM 453 NH2 ARG 65 5.370 -1.200 14.070 1.00 0.00 ATOM 454 O ARG 65 1.317 -5.676 10.690 1.00 0.00 ATOM 455 C ARG 65 1.681 -4.718 10.011 1.00 0.00 ATOM 456 N TYR 66 1.028 -4.327 8.925 1.00 0.00 ATOM 457 CA TYR 66 -0.060 -5.136 8.401 1.00 0.00 ATOM 458 CB TYR 66 -0.911 -4.357 7.394 1.00 0.00 ATOM 459 CG TYR 66 -2.053 -5.179 6.823 1.00 0.00 ATOM 460 CD1 TYR 66 -3.321 -5.124 7.384 1.00 0.00 ATOM 461 CD2 TYR 66 -1.855 -6.022 5.733 1.00 0.00 ATOM 462 CE1 TYR 66 -4.360 -5.885 6.878 1.00 0.00 ATOM 463 CE2 TYR 66 -2.890 -6.783 5.219 1.00 0.00 ATOM 464 CZ TYR 66 -4.140 -6.711 5.796 1.00 0.00 ATOM 465 OH TYR 66 -5.174 -7.470 5.292 1.00 0.00 ATOM 466 O TYR 66 0.010 -7.493 7.966 1.00 0.00 ATOM 467 C TYR 66 0.502 -6.388 7.740 1.00 0.00 ATOM 468 N ILE 67 1.531 -6.198 6.917 1.00 0.00 ATOM 469 CA ILE 67 2.145 -7.297 6.183 1.00 0.00 ATOM 470 CB ILE 67 3.347 -6.818 5.338 1.00 0.00 ATOM 471 CG1 ILE 67 2.910 -5.738 4.344 1.00 0.00 ATOM 472 CG2 ILE 67 3.978 -7.993 4.599 1.00 0.00 ATOM 473 CD1 ILE 67 4.062 -5.101 3.596 1.00 0.00 ATOM 474 O ILE 67 2.218 -9.564 6.946 1.00 0.00 ATOM 475 C ILE 67 2.600 -8.410 7.126 1.00 0.00 ATOM 476 N ARG 68 3.434 -8.061 8.114 1.00 0.00 ATOM 477 CA ARG 68 3.904 -9.022 9.120 1.00 0.00 ATOM 478 CB ARG 68 2.751 -9.484 9.988 1.00 0.00 ATOM 479 CG ARG 68 2.404 -8.531 11.110 1.00 0.00 ATOM 480 CD ARG 68 3.551 -8.377 12.098 1.00 0.00 ATOM 481 NE ARG 68 3.961 -9.659 12.668 1.00 0.00 ATOM 482 CZ ARG 68 3.628 -10.077 13.887 1.00 0.00 ATOM 483 NH1 ARG 68 2.850 -9.329 14.664 1.00 0.00 ATOM 484 NH2 ARG 68 4.070 -11.252 14.317 1.00 0.00 ATOM 485 O ARG 68 4.493 -11.334 9.014 1.00 0.00 ATOM 486 C ARG 68 4.553 -10.233 8.474 1.00 0.00 ATOM 487 N THR 69 5.101 -9.999 7.288 1.00 0.00 ATOM 488 CA THR 69 5.856 -10.977 6.497 1.00 0.00 ATOM 489 CB THR 69 7.195 -11.418 7.170 1.00 0.00 ATOM 490 CG2 THR 69 6.984 -12.298 8.390 1.00 0.00 ATOM 491 OG1 THR 69 8.007 -12.129 6.228 1.00 0.00 ATOM 492 O THR 69 5.470 -13.220 5.690 1.00 0.00 ATOM 493 C THR 69 4.985 -12.174 6.130 1.00 0.00 ATOM 494 N SER 70 3.685 -11.980 6.263 1.00 0.00 ATOM 495 CA SER 70 2.712 -12.968 5.872 1.00 0.00 ATOM 496 CB SER 70 1.815 -13.285 7.063 1.00 0.00 ATOM 497 OG SER 70 1.347 -12.098 7.683 1.00 0.00 ATOM 498 O SER 70 2.002 -12.941 3.573 1.00 0.00 ATOM 499 C SER 70 1.900 -12.442 4.699 1.00 0.00 ATOM 500 N GLY 71 1.132 -11.400 4.968 1.00 0.00 ATOM 501 CA GLY 71 0.317 -10.777 3.951 1.00 0.00 ATOM 502 O GLY 71 -0.917 -12.830 3.857 1.00 0.00 ATOM 503 C GLY 71 -0.785 -11.681 3.435 1.00 0.00 ATOM 504 N ILE 72 -1.571 -11.164 2.506 1.00 0.00 ATOM 505 CA ILE 72 -2.679 -11.919 1.942 1.00 0.00 ATOM 506 CB ILE 72 -3.871 -10.977 1.639 1.00 0.00 ATOM 507 CG1 ILE 72 -4.231 -10.178 2.899 1.00 0.00 ATOM 508 CG2 ILE 72 -5.092 -11.740 1.144 1.00 0.00 ATOM 509 CD1 ILE 72 -4.484 -11.035 4.127 1.00 0.00 ATOM 510 O ILE 72 -3.007 -13.300 -0.013 1.00 0.00 ATOM 511 C ILE 72 -2.220 -12.672 0.689 1.00 0.00 ATOM 512 N ARG 73 -0.918 -12.604 0.428 1.00 0.00 ATOM 513 CA ARG 73 -0.312 -13.304 -0.702 1.00 0.00 ATOM 514 CB ARG 73 1.186 -13.015 -0.756 1.00 0.00 ATOM 515 CG ARG 73 1.926 -13.848 -1.785 1.00 0.00 ATOM 516 CD ARG 73 1.690 -13.329 -3.193 1.00 0.00 ATOM 517 NE ARG 73 2.184 -14.240 -4.221 1.00 0.00 ATOM 518 CZ ARG 73 1.945 -14.082 -5.523 1.00 0.00 ATOM 519 NH1 ARG 73 1.254 -13.031 -5.947 1.00 0.00 ATOM 520 NH2 ARG 73 2.398 -14.971 -6.397 1.00 0.00 ATOM 521 O ARG 73 -1.449 -15.371 -1.181 1.00 0.00 ATOM 522 C ARG 73 -0.521 -14.814 -0.595 1.00 0.00 ATOM 523 N THR 74 0.360 -15.466 0.153 1.00 0.00 ATOM 524 CA THR 74 0.286 -16.897 0.335 1.00 0.00 ATOM 525 CB THR 74 1.694 -17.505 0.495 1.00 0.00 ATOM 526 CG2 THR 74 1.645 -19.021 0.399 1.00 0.00 ATOM 527 OG1 THR 74 2.568 -16.990 -0.521 1.00 0.00 ATOM 528 O THR 74 -1.271 -18.182 1.619 1.00 0.00 ATOM 529 C THR 74 -0.540 -17.191 1.570 1.00 0.00 ATOM 530 N ASP 75 -0.422 -16.283 2.547 1.00 0.00 ATOM 531 CA ASP 75 -1.155 -16.366 3.822 1.00 0.00 ATOM 532 CB ASP 75 -2.663 -16.359 3.560 1.00 0.00 ATOM 533 CG ASP 75 -3.491 -16.567 4.817 1.00 0.00 ATOM 534 OD1 ASP 75 -3.723 -17.738 5.198 1.00 0.00 ATOM 535 OD2 ASP 75 -3.926 -15.572 5.423 1.00 0.00 ATOM 536 O ASP 75 -0.169 -17.474 5.725 1.00 0.00 ATOM 537 C ASP 75 -0.764 -17.596 4.653 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_656607247.pdb -s /var/tmp/to_scwrl_656607247.seq -o /var/tmp/from_scwrl_656607247.pdb > /var/tmp/scwrl_656607247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_656607247.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 74 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -39.394 # GDT_score(maxd=8.000,maxw=2.900)= -37.327 # GDT_score(maxd=8.000,maxw=3.200)= -35.163 # GDT_score(maxd=8.000,maxw=3.500)= -33.212 # GDT_score(maxd=10.000,maxw=3.800)= -37.730 # GDT_score(maxd=10.000,maxw=4.000)= -36.449 # GDT_score(maxd=10.000,maxw=4.200)= -35.291 # GDT_score(maxd=12.000,maxw=4.300)= -39.485 # GDT_score(maxd=12.000,maxw=4.500)= -38.269 # GDT_score(maxd=12.000,maxw=4.700)= -37.157 # GDT_score(maxd=14.000,maxw=5.200)= -38.082 # GDT_score(maxd=14.000,maxw=5.500)= -36.555 # command:# request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1907865302.pdb -s /var/tmp/to_scwrl_1907865302.seq -o /var/tmp/from_scwrl_1907865302.pdb > /var/tmp/scwrl_1907865302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907865302.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 7 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -40.152 # GDT_score(maxd=8.000,maxw=2.900)= -39.219 # GDT_score(maxd=8.000,maxw=3.200)= -36.992 # GDT_score(maxd=8.000,maxw=3.500)= -35.025 # GDT_score(maxd=10.000,maxw=3.800)= -38.721 # GDT_score(maxd=10.000,maxw=4.000)= -37.467 # GDT_score(maxd=10.000,maxw=4.200)= -36.277 # GDT_score(maxd=12.000,maxw=4.300)= -39.897 # GDT_score(maxd=12.000,maxw=4.500)= -38.666 # GDT_score(maxd=12.000,maxw=4.700)= -37.520 # GDT_score(maxd=14.000,maxw=5.200)= -38.124 # GDT_score(maxd=14.000,maxw=5.500)= -36.540 # command:# request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2026829243.pdb -s /var/tmp/to_scwrl_2026829243.seq -o /var/tmp/from_scwrl_2026829243.pdb > /var/tmp/scwrl_2026829243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026829243.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 73 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -36.364 # GDT_score(maxd=8.000,maxw=2.900)= -34.752 # GDT_score(maxd=8.000,maxw=3.200)= -33.483 # GDT_score(maxd=8.000,maxw=3.500)= -32.367 # GDT_score(maxd=10.000,maxw=3.800)= -35.188 # GDT_score(maxd=10.000,maxw=4.000)= -34.367 # GDT_score(maxd=10.000,maxw=4.200)= -33.503 # GDT_score(maxd=12.000,maxw=4.300)= -36.812 # GDT_score(maxd=12.000,maxw=4.500)= -35.876 # GDT_score(maxd=12.000,maxw=4.700)= -34.995 # GDT_score(maxd=14.000,maxw=5.200)= -36.167 # GDT_score(maxd=14.000,maxw=5.500)= -35.017 # command:# request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1877555954.pdb -s /var/tmp/to_scwrl_1877555954.seq -o /var/tmp/from_scwrl_1877555954.pdb > /var/tmp/scwrl_1877555954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877555954.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 73 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -37.121 # GDT_score(maxd=8.000,maxw=2.900)= -35.134 # GDT_score(maxd=8.000,maxw=3.200)= -33.829 # GDT_score(maxd=8.000,maxw=3.500)= -32.743 # GDT_score(maxd=10.000,maxw=3.800)= -35.548 # GDT_score(maxd=10.000,maxw=4.000)= -34.760 # GDT_score(maxd=10.000,maxw=4.200)= -33.952 # GDT_score(maxd=12.000,maxw=4.300)= -37.191 # GDT_score(maxd=12.000,maxw=4.500)= -36.312 # GDT_score(maxd=12.000,maxw=4.700)= -35.466 # GDT_score(maxd=14.000,maxw=5.200)= -36.598 # GDT_score(maxd=14.000,maxw=5.500)= -35.346 # command:# request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1182110485.pdb -s /var/tmp/to_scwrl_1182110485.seq -o /var/tmp/from_scwrl_1182110485.pdb > /var/tmp/scwrl_1182110485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1182110485.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 T0358.try1-opt2.pdb looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -34.091 # GDT_score(maxd=8.000,maxw=2.900)= -32.296 # GDT_score(maxd=8.000,maxw=3.200)= -30.958 # GDT_score(maxd=8.000,maxw=3.500)= -29.733 # GDT_score(maxd=10.000,maxw=3.800)= -33.109 # GDT_score(maxd=10.000,maxw=4.000)= -32.287 # GDT_score(maxd=10.000,maxw=4.200)= -31.473 # GDT_score(maxd=12.000,maxw=4.300)= -34.921 # GDT_score(maxd=12.000,maxw=4.500)= -34.042 # GDT_score(maxd=12.000,maxw=4.700)= -33.214 # GDT_score(maxd=14.000,maxw=5.200)= -34.338 # GDT_score(maxd=14.000,maxw=5.500)= -33.209 # command:# Prefix for output files set to # command:EXPDTA T0358.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0358.try1-opt2.pdb ATOM 1 N MET A 1 -1.587 0.917 5.715 1.00 0.00 ATOM 2 CA MET A 1 -1.650 2.388 5.469 1.00 0.00 ATOM 3 CB MET A 1 -2.265 2.807 7.078 1.00 0.00 ATOM 4 CG MET A 1 -1.004 3.044 7.894 1.00 0.00 ATOM 5 SD MET A 1 -1.352 3.412 9.628 1.00 0.00 ATOM 6 CE MET A 1 -1.683 5.168 9.542 1.00 0.00 ATOM 7 O MET A 1 -0.077 3.854 4.402 1.00 0.00 ATOM 8 C MET A 1 -0.254 2.927 5.201 1.00 0.00 ATOM 9 N THR A 2 0.762 2.271 5.808 1.00 0.00 ATOM 10 CA THR A 2 2.144 2.679 5.650 1.00 0.00 ATOM 11 CB THR A 2 2.695 3.128 7.017 1.00 0.00 ATOM 12 CG2 THR A 2 1.840 4.245 7.594 1.00 0.00 ATOM 13 OG1 THR A 2 2.686 2.019 7.925 1.00 0.00 ATOM 14 O THR A 2 2.522 0.363 5.185 1.00 0.00 ATOM 15 C THR A 2 2.971 1.502 5.134 1.00 0.00 ATOM 16 N GLN A 3 4.164 1.748 4.596 1.00 0.00 ATOM 17 CA GLN A 3 5.008 0.673 4.089 1.00 0.00 ATOM 18 CB GLN A 3 6.381 1.132 3.776 1.00 0.00 ATOM 19 CG GLN A 3 7.250 0.059 3.152 1.00 0.00 ATOM 20 CD GLN A 3 8.483 0.634 2.489 1.00 0.00 ATOM 21 OE1 GLN A 3 9.251 1.369 3.112 1.00 0.00 ATOM 22 NE2 GLN A 3 8.681 0.302 1.220 1.00 0.00 ATOM 23 O GLN A 3 5.297 -1.542 4.900 1.00 0.00 ATOM 24 C GLN A 3 5.310 -0.354 5.159 1.00 0.00 ATOM 25 N SER A 4 5.638 0.119 6.357 1.00 0.00 ATOM 26 CA SER A 4 5.898 -0.757 7.492 1.00 0.00 ATOM 27 CB SER A 4 6.342 0.096 8.701 1.00 0.00 ATOM 28 OG SER A 4 6.588 -0.704 9.817 1.00 0.00 ATOM 29 O SER A 4 4.755 -2.844 7.885 1.00 0.00 ATOM 30 C SER A 4 4.683 -1.604 7.782 1.00 0.00 ATOM 31 N VAL A 5 3.536 -0.964 7.895 1.00 0.00 ATOM 32 CA VAL A 5 2.320 -1.671 8.216 1.00 0.00 ATOM 33 CB VAL A 5 1.191 -0.677 8.582 1.00 0.00 ATOM 34 CG1 VAL A 5 -0.165 -1.356 8.587 1.00 0.00 ATOM 35 CG2 VAL A 5 1.501 0.054 9.925 1.00 0.00 ATOM 36 O VAL A 5 1.450 -3.659 7.263 1.00 0.00 ATOM 37 C VAL A 5 1.928 -2.566 7.047 1.00 0.00 ATOM 38 N LEU A 6 2.072 -2.065 5.820 1.00 0.00 ATOM 39 CA LEU A 6 1.703 -2.816 4.627 1.00 0.00 ATOM 40 CB LEU A 6 1.931 -1.974 3.369 1.00 0.00 ATOM 41 CG LEU A 6 1.625 -2.619 2.015 1.00 0.00 ATOM 42 CD1 LEU A 6 0.181 -3.100 1.884 1.00 0.00 ATOM 43 CD2 LEU A 6 1.994 -1.637 0.878 1.00 0.00 ATOM 44 O LEU A 6 1.864 -5.147 4.063 1.00 0.00 ATOM 45 C LEU A 6 2.454 -4.134 4.440 1.00 0.00 ATOM 46 N LEU A 7 3.760 -4.091 4.686 1.00 0.00 ATOM 47 CA LEU A 7 4.590 -5.282 4.541 1.00 0.00 ATOM 48 CB LEU A 7 5.899 -4.933 3.827 1.00 0.00 ATOM 49 CG LEU A 7 5.680 -4.314 2.441 1.00 0.00 ATOM 50 CD1 LEU A 7 7.028 -4.021 1.796 1.00 0.00 ATOM 51 CD2 LEU A 7 4.857 -5.255 1.565 1.00 0.00 ATOM 52 O LEU A 7 5.440 -5.081 6.762 1.00 0.00 ATOM 53 C LEU A 7 5.065 -5.835 5.872 1.00 0.00 ATOM 54 N PRO A 8 5.074 -7.171 6.018 1.00 0.00 ATOM 55 CA PRO A 8 5.521 -7.783 7.276 1.00 0.00 ATOM 56 CB PRO A 8 5.365 -9.285 7.033 1.00 0.00 ATOM 57 CG PRO A 8 4.324 -9.386 5.970 1.00 0.00 ATOM 58 CD PRO A 8 4.544 -8.211 5.058 1.00 0.00 ATOM 59 O PRO A 8 7.746 -7.080 6.697 1.00 0.00 ATOM 60 C PRO A 8 6.969 -7.416 7.594 1.00 0.00 ATOM 61 N PRO A 9 7.336 -7.435 8.881 1.00 0.00 ATOM 62 CA PRO A 9 8.701 -7.107 9.301 1.00 0.00 ATOM 63 CB PRO A 9 8.640 -7.324 10.815 1.00 0.00 ATOM 64 CG PRO A 9 7.228 -6.994 11.160 1.00 0.00 ATOM 65 CD PRO A 9 6.451 -7.644 10.054 1.00 0.00 ATOM 66 O PRO A 9 9.338 -9.296 8.534 1.00 0.00 ATOM 67 C PRO A 9 9.711 -8.182 8.898 1.00 0.00 ATOM 68 N GLY A 10 10.981 -7.850 8.944 1.00 0.00 ATOM 69 CA GLY A 10 12.014 -8.805 8.591 1.00 0.00 ATOM 70 O GLY A 10 11.801 -8.147 6.303 1.00 0.00 ATOM 71 C GLY A 10 12.415 -8.824 7.130 1.00 0.00 ATOM 72 N PRO A 11 13.521 -9.599 6.758 1.00 0.00 ATOM 73 CA PRO A 11 14.035 -9.730 5.391 1.00 0.00 ATOM 74 CB PRO A 11 15.170 -10.745 5.546 1.00 0.00 ATOM 75 CG PRO A 11 15.615 -10.551 6.961 1.00 0.00 ATOM 76 CD PRO A 11 14.312 -10.421 7.691 1.00 0.00 ATOM 77 O PRO A 11 12.985 -10.008 3.243 1.00 0.00 ATOM 78 C PRO A 11 12.939 -10.260 4.451 1.00 0.00 ATOM 79 N PHE A 12 12.022 -11.053 4.991 1.00 0.00 ATOM 80 CA PHE A 12 10.962 -11.625 4.164 1.00 0.00 ATOM 81 CB PHE A 12 10.607 -13.019 4.683 1.00 0.00 ATOM 82 CG PHE A 12 11.697 -14.033 4.490 1.00 0.00 ATOM 83 CD1 PHE A 12 12.530 -14.383 5.539 1.00 0.00 ATOM 84 CD2 PHE A 12 11.891 -14.638 3.260 1.00 0.00 ATOM 85 CE1 PHE A 12 13.533 -15.317 5.363 1.00 0.00 ATOM 86 CE2 PHE A 12 12.895 -15.572 3.083 1.00 0.00 ATOM 87 CZ PHE A 12 13.713 -15.912 4.127 1.00 0.00 ATOM 88 O PHE A 12 8.747 -11.070 3.501 1.00 0.00 ATOM 89 C PHE A 12 9.712 -10.771 4.161 1.00 0.00 ATOM 90 N THR A 13 9.736 -9.687 4.850 1.00 0.00 ATOM 91 CA THR A 13 8.589 -8.751 4.914 1.00 0.00 ATOM 92 CB THR A 13 9.167 -7.249 5.354 1.00 0.00 ATOM 93 CG2 THR A 13 7.991 -6.322 5.727 1.00 0.00 ATOM 94 OG1 THR A 13 10.182 -7.274 6.372 1.00 0.00 ATOM 95 O THR A 13 7.187 -8.185 3.055 1.00 0.00 ATOM 96 C THR A 13 8.327 -8.196 3.518 1.00 0.00 ATOM 97 N ARG A 14 9.378 -7.761 2.842 1.00 0.00 ATOM 98 CA ARG A 14 9.226 -7.221 1.492 1.00 0.00 ATOM 99 CB ARG A 14 10.470 -7.037 0.734 1.00 0.00 ATOM 100 CG ARG A 14 11.352 -5.921 1.343 1.00 0.00 ATOM 101 CD ARG A 14 10.527 -4.776 1.935 1.00 0.00 ATOM 102 NE ARG A 14 11.390 -3.626 2.254 1.00 0.00 ATOM 103 CZ ARG A 14 11.749 -2.692 1.364 1.00 0.00 ATOM 104 NH1 ARG A 14 11.319 -2.765 0.098 1.00 0.00 ATOM 105 NH2 ARG A 14 12.526 -1.680 1.731 1.00 0.00 ATOM 106 O ARG A 14 7.730 -7.991 -0.203 1.00 0.00 ATOM 107 C ARG A 14 8.651 -8.264 0.569 1.00 0.00 ATOM 108 N ARG A 15 9.174 -9.525 0.662 1.00 0.00 ATOM 109 CA ARG A 15 8.710 -10.596 -0.201 1.00 0.00 ATOM 110 CB ARG A 15 9.526 -11.865 0.050 1.00 0.00 ATOM 111 CG ARG A 15 9.142 -13.036 -0.841 1.00 0.00 ATOM 112 CD ARG A 15 9.942 -14.281 -0.490 1.00 0.00 ATOM 113 NE ARG A 15 9.632 -14.771 0.851 1.00 0.00 ATOM 114 CZ ARG A 15 8.544 -15.471 1.156 1.00 0.00 ATOM 115 NH1 ARG A 15 8.345 -15.876 2.404 1.00 0.00 ATOM 116 NH2 ARG A 15 7.658 -15.765 0.215 1.00 0.00 ATOM 117 O ARG A 15 6.450 -10.999 -0.880 1.00 0.00 ATOM 118 C ARG A 15 7.246 -10.939 0.051 1.00 0.00 ATOM 119 N GLN A 16 6.868 -11.173 1.299 1.00 0.00 ATOM 120 CA GLN A 16 5.488 -11.520 1.607 1.00 0.00 ATOM 121 CB GLN A 16 5.362 -11.938 3.074 1.00 0.00 ATOM 122 CG GLN A 16 6.033 -13.262 3.400 1.00 0.00 ATOM 123 CD GLN A 16 5.941 -13.614 4.872 1.00 0.00 ATOM 124 OE1 GLN A 16 5.403 -12.846 5.672 1.00 0.00 ATOM 125 NE2 GLN A 16 6.464 -14.778 5.235 1.00 0.00 ATOM 126 O GLN A 16 3.361 -10.590 0.993 1.00 0.00 ATOM 127 C GLN A 16 4.511 -10.370 1.377 1.00 0.00 ATOM 128 N ALA A 17 4.955 -9.157 1.635 1.00 0.00 ATOM 129 CA ALA A 17 4.101 -7.973 1.456 1.00 0.00 ATOM 130 CB ALA A 17 4.812 -6.704 1.627 1.00 0.00 ATOM 131 O ALA A 17 2.492 -7.465 -0.307 1.00 0.00 ATOM 132 C ALA A 17 3.628 -7.850 0.015 1.00 0.00 ATOM 133 N GLN A 18 4.539 -8.129 -0.937 1.00 0.00 ATOM 134 CA GLN A 18 4.165 -8.020 -2.356 1.00 0.00 ATOM 135 CB GLN A 18 5.413 -8.292 -3.227 1.00 0.00 ATOM 136 CG GLN A 18 5.103 -8.186 -4.720 1.00 0.00 ATOM 137 CD GLN A 18 6.386 -8.318 -5.557 1.00 0.00 ATOM 138 OE1 GLN A 18 7.367 -8.883 -5.174 1.00 0.00 ATOM 139 NE2 GLN A 18 6.310 -7.836 -6.745 1.00 0.00 ATOM 140 O GLN A 18 2.080 -8.592 -3.327 1.00 0.00 ATOM 141 C GLN A 18 3.062 -8.995 -2.682 1.00 0.00 ATOM 142 N ALA A 19 3.168 -10.225 -2.269 1.00 0.00 ATOM 143 CA ALA A 19 2.175 -11.286 -2.525 1.00 0.00 ATOM 144 CB ALA A 19 2.670 -12.657 -2.063 1.00 0.00 ATOM 145 O ALA A 19 -0.244 -10.995 -2.498 1.00 0.00 ATOM 146 C ALA A 19 0.832 -10.912 -1.870 1.00 0.00 ATOM 147 N VAL A 20 0.903 -10.447 -0.621 1.00 0.00 ATOM 148 CA VAL A 20 -0.331 -10.064 0.064 1.00 0.00 ATOM 149 CB VAL A 20 -0.107 -9.833 1.549 1.00 0.00 ATOM 150 CG1 VAL A 20 -1.341 -9.271 2.251 1.00 0.00 ATOM 151 CG2 VAL A 20 0.346 -11.135 2.228 1.00 0.00 ATOM 152 O VAL A 20 -2.188 -8.793 -0.777 1.00 0.00 ATOM 153 C VAL A 20 -0.970 -8.853 -0.606 1.00 0.00 ATOM 154 N THR A 21 -0.142 -7.862 -0.998 1.00 0.00 ATOM 155 CA THR A 21 -0.623 -6.647 -1.646 1.00 0.00 ATOM 156 CB THR A 21 0.543 -5.660 -1.810 1.00 0.00 ATOM 157 CG2 THR A 21 0.146 -4.465 -2.661 1.00 0.00 ATOM 158 OG1 THR A 21 0.940 -5.186 -0.524 1.00 0.00 ATOM 159 O THR A 21 -2.303 -6.427 -3.378 1.00 0.00 ATOM 160 C THR A 21 -1.253 -6.975 -3.016 1.00 0.00 ATOM 161 N THR A 22 -0.616 -7.854 -3.749 1.00 0.00 ATOM 162 CA THR A 22 -1.134 -8.259 -5.056 1.00 0.00 ATOM 163 CB THR A 22 -0.194 -9.244 -5.777 1.00 0.00 ATOM 164 CG2 THR A 22 -0.797 -9.682 -7.103 1.00 0.00 ATOM 165 OG1 THR A 22 1.066 -8.610 -6.028 1.00 0.00 ATOM 166 O THR A 22 -3.319 -8.790 -5.866 1.00 0.00 ATOM 167 C THR A 22 -2.498 -8.942 -4.961 1.00 0.00 ATOM 168 N THR A 23 -2.740 -9.666 -3.869 1.00 0.00 ATOM 169 CA THR A 23 -3.992 -10.409 -3.679 1.00 0.00 ATOM 170 CB THR A 23 -3.540 -11.856 -3.090 1.00 0.00 ATOM 171 CG2 THR A 23 -4.736 -12.784 -2.947 1.00 0.00 ATOM 172 OG1 THR A 23 -2.563 -12.474 -3.933 1.00 0.00 ATOM 173 O THR A 23 -6.295 -10.091 -3.105 1.00 0.00 ATOM 174 C THR A 23 -5.206 -9.564 -3.328 1.00 0.00 ATOM 175 N TYR A 24 -4.997 -8.185 -3.307 1.00 0.00 ATOM 176 CA TYR A 24 -6.091 -7.268 -3.008 1.00 0.00 ATOM 177 CB TYR A 24 -5.525 -5.902 -2.615 1.00 0.00 ATOM 178 CG TYR A 24 -4.823 -5.894 -1.276 1.00 0.00 ATOM 179 CD1 TYR A 24 -4.955 -6.960 -0.396 1.00 0.00 ATOM 180 CD2 TYR A 24 -4.029 -4.819 -0.897 1.00 0.00 ATOM 181 CE1 TYR A 24 -4.317 -6.960 0.829 1.00 0.00 ATOM 182 CE2 TYR A 24 -3.383 -4.802 0.325 1.00 0.00 ATOM 183 CZ TYR A 24 -3.533 -5.886 1.190 1.00 0.00 ATOM 184 OH TYR A 24 -2.896 -5.883 2.409 1.00 0.00 ATOM 185 O TYR A 24 -6.497 -7.033 -5.364 1.00 0.00 ATOM 186 C TYR A 24 -6.983 -7.057 -4.232 1.00 0.00 ATOM 187 N SER A 25 -8.286 -6.897 -3.994 1.00 0.00 ATOM 188 CA SER A 25 -9.260 -6.762 -5.083 1.00 0.00 ATOM 189 CB SER A 25 -10.505 -7.602 -4.794 1.00 0.00 ATOM 190 OG SER A 25 -10.201 -8.986 -4.804 1.00 0.00 ATOM 191 O SER A 25 -9.796 -4.521 -4.354 1.00 0.00 ATOM 192 C SER A 25 -9.745 -5.328 -5.296 1.00 0.00 ATOM 193 N ASN A 26 -10.113 -5.042 -6.548 1.00 0.00 ATOM 194 CA ASN A 26 -10.598 -3.732 -7.000 1.00 0.00 ATOM 195 CB ASN A 26 -12.020 -3.474 -6.499 1.00 0.00 ATOM 196 CG ASN A 26 -12.687 -2.311 -7.207 1.00 0.00 ATOM 197 ND2 ASN A 26 -13.668 -1.705 -6.549 1.00 0.00 ATOM 198 OD1 ASN A 26 -12.322 -1.964 -8.330 1.00 0.00 ATOM 199 O ASN A 26 -10.136 -1.627 -5.932 1.00 0.00 ATOM 200 C ASN A 26 -9.675 -2.600 -6.494 1.00 0.00 ATOM 201 N ILE A 27 -8.396 -2.769 -6.761 1.00 0.00 ATOM 202 CA ILE A 27 -7.424 -1.819 -6.313 1.00 0.00 ATOM 203 CB ILE A 27 -5.991 -2.444 -6.295 1.00 0.00 ATOM 204 CG1 ILE A 27 -5.961 -3.798 -5.547 1.00 0.00 ATOM 205 CG2 ILE A 27 -4.998 -1.435 -5.700 1.00 0.00 ATOM 206 CD1 ILE A 27 -4.597 -4.507 -5.556 1.00 0.00 ATOM 207 O ILE A 27 -7.394 -0.670 -8.407 1.00 0.00 ATOM 208 C ILE A 27 -7.419 -0.575 -7.185 1.00 0.00 ATOM 209 N THR A 28 -7.472 0.576 -6.536 1.00 0.00 ATOM 210 CA THR A 28 -7.417 1.860 -7.227 1.00 0.00 ATOM 211 CB THR A 28 -8.668 2.709 -6.965 1.00 0.00 ATOM 212 CG2 THR A 28 -8.538 4.058 -7.657 1.00 0.00 ATOM 213 OG1 THR A 28 -9.807 2.027 -7.502 1.00 0.00 ATOM 214 O THR A 28 -6.017 2.631 -5.437 1.00 0.00 ATOM 215 C THR A 28 -6.200 2.570 -6.655 1.00 0.00 ATOM 216 N LEU A 29 -5.380 3.113 -7.548 1.00 0.00 ATOM 217 CA LEU A 29 -4.146 3.796 -7.181 1.00 0.00 ATOM 218 CB LEU A 29 -2.936 3.029 -7.717 1.00 0.00 ATOM 219 CG LEU A 29 -1.564 3.657 -7.458 1.00 0.00 ATOM 220 CD1 LEU A 29 -1.233 3.631 -5.974 1.00 0.00 ATOM 221 CD2 LEU A 29 -0.477 2.899 -8.203 1.00 0.00 ATOM 222 O LEU A 29 -4.647 5.403 -8.898 1.00 0.00 ATOM 223 C LEU A 29 -4.150 5.198 -7.787 1.00 0.00 ATOM 224 N GLU A 30 -3.567 6.151 -7.063 1.00 0.00 ATOM 225 CA GLU A 30 -3.577 7.553 -7.465 1.00 0.00 ATOM 226 CB GLU A 30 -3.569 8.560 -6.637 1.00 0.00 ATOM 227 CG GLU A 30 -5.030 8.895 -6.382 1.00 0.00 ATOM 228 CD GLU A 30 -5.343 10.340 -6.695 1.00 0.00 ATOM 229 OE1 GLU A 30 -5.818 10.637 -7.814 1.00 0.00 ATOM 230 OE2 GLU A 30 -5.088 11.185 -5.820 1.00 0.00 ATOM 231 O GLU A 30 -1.568 7.388 -8.765 1.00 0.00 ATOM 232 C GLU A 30 -2.714 7.840 -8.693 1.00 0.00 ATOM 233 N ASP A 31 -3.333 8.715 -9.581 1.00 0.00 ATOM 234 CA ASP A 31 -2.565 9.245 -10.710 1.00 0.00 ATOM 235 CB ASP A 31 -3.491 9.567 -11.885 1.00 0.00 ATOM 236 CG ASP A 31 -4.018 8.323 -12.571 1.00 0.00 ATOM 237 OD1 ASP A 31 -3.473 7.229 -12.315 1.00 0.00 ATOM 238 OD2 ASP A 31 -4.976 8.441 -13.364 1.00 0.00 ATOM 239 O ASP A 31 -0.829 10.878 -10.979 1.00 0.00 ATOM 240 C ASP A 31 -1.806 10.517 -10.319 1.00 0.00 ATOM 241 N ASP A 32 -2.269 11.179 -9.260 1.00 0.00 ATOM 242 CA ASP A 32 -1.641 12.383 -8.729 1.00 0.00 ATOM 243 CB ASP A 32 -2.710 13.389 -8.300 1.00 0.00 ATOM 244 CG ASP A 32 -3.460 13.981 -9.478 1.00 0.00 ATOM 245 OD1 ASP A 32 -2.991 13.814 -10.624 1.00 0.00 ATOM 246 OD2 ASP A 32 -4.516 14.610 -9.255 1.00 0.00 ATOM 247 O ASP A 32 -1.175 11.544 -6.529 1.00 0.00 ATOM 248 C ASP A 32 -0.729 12.106 -7.530 1.00 0.00 ATOM 249 N GLN A 33 0.547 12.451 -7.640 1.00 0.00 ATOM 250 CA GLN A 33 1.469 12.224 -6.526 1.00 0.00 ATOM 251 CB GLN A 33 2.755 13.274 -6.859 1.00 0.00 ATOM 252 CG GLN A 33 3.194 13.567 -8.282 1.00 0.00 ATOM 253 CD GLN A 33 2.147 14.312 -9.075 1.00 0.00 ATOM 254 OE1 GLN A 33 1.729 15.410 -8.700 1.00 0.00 ATOM 255 NE2 GLN A 33 1.717 13.723 -10.185 1.00 0.00 ATOM 256 O GLN A 33 1.280 12.360 -4.138 1.00 0.00 ATOM 257 C GLN A 33 1.090 12.918 -5.219 1.00 0.00 ATOM 258 N GLY A 34 0.494 14.120 -5.302 1.00 0.00 ATOM 259 CA GLY A 34 0.108 14.856 -4.110 1.00 0.00 ATOM 260 O GLY A 34 -0.967 14.609 -1.982 1.00 0.00 ATOM 261 C GLY A 34 -0.968 14.300 -3.175 1.00 0.00 ATOM 262 N SER A 35 -1.879 13.489 -3.718 1.00 0.00 ATOM 263 CA SER A 35 -2.984 12.918 -2.939 1.00 0.00 ATOM 264 CB SER A 35 -3.731 11.866 -3.760 1.00 0.00 ATOM 265 OG SER A 35 -4.771 11.273 -3.004 1.00 0.00 ATOM 266 O SER A 35 -1.737 11.268 -1.696 1.00 0.00 ATOM 267 C SER A 35 -2.567 12.202 -1.649 1.00 0.00 ATOM 268 N HIS A 36 -3.181 12.600 -0.537 1.00 0.00 ATOM 269 CA HIS A 36 -2.974 11.937 0.750 1.00 0.00 ATOM 270 CB HIS A 36 -3.820 12.593 1.843 1.00 0.00 ATOM 271 CG HIS A 36 -3.433 14.009 2.137 1.00 0.00 ATOM 272 CD2 HIS A 36 -2.289 14.858 1.836 1.00 0.00 ATOM 273 ND1 HIS A 36 -4.237 14.866 2.856 1.00 0.00 ATOM 274 CE1 HIS A 36 -3.627 16.060 2.955 1.00 0.00 ATOM 275 NE2 HIS A 36 -2.458 16.062 2.346 1.00 0.00 ATOM 276 O HIS A 36 -2.543 9.668 1.389 1.00 0.00 ATOM 277 C HIS A 36 -3.270 10.446 0.769 1.00 0.00 ATOM 278 N PHE A 37 -4.359 10.067 0.105 1.00 0.00 ATOM 279 CA PHE A 37 -4.712 8.670 -0.089 1.00 0.00 ATOM 280 CB PHE A 37 -6.212 8.396 0.260 1.00 0.00 ATOM 281 CG PHE A 37 -6.641 8.730 1.655 1.00 0.00 ATOM 282 CD1 PHE A 37 -6.816 10.049 2.047 1.00 0.00 ATOM 283 CD2 PHE A 37 -6.917 7.712 2.564 1.00 0.00 ATOM 284 CE1 PHE A 37 -7.263 10.353 3.322 1.00 0.00 ATOM 285 CE2 PHE A 37 -7.368 8.009 3.847 1.00 0.00 ATOM 286 CZ PHE A 37 -7.541 9.326 4.223 1.00 0.00 ATOM 287 O PHE A 37 -4.715 8.565 -2.487 1.00 0.00 ATOM 288 C PHE A 37 -4.164 8.219 -1.439 1.00 0.00 ATOM 289 N ARG A 38 -3.073 7.459 -1.399 1.00 0.00 ATOM 290 CA ARG A 38 -2.350 7.066 -2.610 1.00 0.00 ATOM 291 CB ARG A 38 -0.875 6.818 -2.290 1.00 0.00 ATOM 292 CG ARG A 38 -0.032 6.444 -3.498 1.00 0.00 ATOM 293 CD ARG A 38 1.437 6.325 -3.131 1.00 0.00 ATOM 294 NE ARG A 38 2.264 5.977 -4.284 1.00 0.00 ATOM 295 CZ ARG A 38 3.560 5.687 -4.215 1.00 0.00 ATOM 296 NH1 ARG A 38 4.231 5.382 -5.317 1.00 0.00 ATOM 297 NH2 ARG A 38 4.181 5.703 -3.043 1.00 0.00 ATOM 298 O ARG A 38 -2.753 5.608 -4.469 1.00 0.00 ATOM 299 C ARG A 38 -2.855 5.785 -3.253 1.00 0.00 ATOM 300 N LEU A 39 -3.387 4.889 -2.425 1.00 0.00 ATOM 301 CA LEU A 39 -3.963 3.642 -2.895 1.00 0.00 ATOM 302 CB LEU A 39 -2.966 2.518 -2.683 1.00 0.00 ATOM 303 CG LEU A 39 -3.259 1.143 -3.267 1.00 0.00 ATOM 304 CD1 LEU A 39 -3.612 1.243 -4.743 1.00 0.00 ATOM 305 CD2 LEU A 39 -2.028 0.279 -3.063 1.00 0.00 ATOM 306 O LEU A 39 -4.940 3.360 -0.719 1.00 0.00 ATOM 307 C LEU A 39 -5.038 3.155 -1.931 1.00 0.00 ATOM 308 N VAL A 40 -6.070 2.533 -2.492 1.00 0.00 ATOM 309 CA VAL A 40 -7.049 1.786 -1.710 1.00 0.00 ATOM 310 CB VAL A 40 -8.297 2.635 -1.408 1.00 0.00 ATOM 311 CG1 VAL A 40 -9.007 3.018 -2.697 1.00 0.00 ATOM 312 CG2 VAL A 40 -9.273 1.860 -0.536 1.00 0.00 ATOM 313 O VAL A 40 -7.293 0.418 -3.671 1.00 0.00 ATOM 314 C VAL A 40 -7.506 0.537 -2.462 1.00 0.00 ATOM 315 N VAL A 41 -7.993 -0.429 -1.590 1.00 0.00 ATOM 316 CA VAL A 41 -8.449 -1.692 -2.152 1.00 0.00 ATOM 317 CB VAL A 41 -7.288 -2.481 -2.785 1.00 0.00 ATOM 318 CG1 VAL A 41 -6.298 -2.919 -1.716 1.00 0.00 ATOM 319 CG2 VAL A 41 -7.812 -3.720 -3.495 1.00 0.00 ATOM 320 O VAL A 41 -9.185 -2.136 0.082 1.00 0.00 ATOM 321 C VAL A 41 -9.092 -2.546 -1.080 1.00 0.00 ATOM 322 N ARG A 42 -9.538 -3.732 -1.478 1.00 0.00 ATOM 323 CA ARG A 42 -10.187 -4.680 -0.578 1.00 0.00 ATOM 324 CB ARG A 42 -11.399 -5.327 -1.242 1.00 0.00 ATOM 325 CG ARG A 42 -11.880 -6.564 -0.517 1.00 0.00 ATOM 326 CD ARG A 42 -13.246 -6.984 -0.998 1.00 0.00 ATOM 327 NE ARG A 42 -14.241 -6.022 -0.564 1.00 0.00 ATOM 328 CZ ARG A 42 -15.412 -5.837 -1.159 1.00 0.00 ATOM 329 NH1 ARG A 42 -15.740 -6.557 -2.222 1.00 0.00 ATOM 330 NH2 ARG A 42 -16.250 -4.922 -0.685 1.00 0.00 ATOM 331 O ARG A 42 -8.583 -6.340 -1.199 1.00 0.00 ATOM 332 C ARG A 42 -9.228 -5.827 -0.287 1.00 0.00 ATOM 333 N ASP A 43 -9.130 -6.224 0.981 1.00 0.00 ATOM 334 CA ASP A 43 -8.295 -7.369 1.338 1.00 0.00 ATOM 335 CB ASP A 43 -7.845 -7.272 2.797 1.00 0.00 ATOM 336 CG ASP A 43 -8.995 -7.412 3.773 1.00 0.00 ATOM 337 OD1 ASP A 43 -10.097 -7.811 3.339 1.00 0.00 ATOM 338 OD2 ASP A 43 -8.797 -7.122 4.972 1.00 0.00 ATOM 339 O ASP A 43 -10.176 -8.784 0.772 1.00 0.00 ATOM 340 C ASP A 43 -9.054 -8.692 1.262 1.00 0.00 ATOM 341 N THR A 44 -8.387 -9.870 1.851 1.00 0.00 ATOM 342 CA THR A 44 -9.030 -11.193 1.650 1.00 0.00 ATOM 343 CB THR A 44 -8.019 -12.289 2.033 1.00 0.00 ATOM 344 CG2 THR A 44 -6.775 -12.196 1.162 1.00 0.00 ATOM 345 OG1 THR A 44 -7.637 -12.132 3.406 1.00 0.00 ATOM 346 O THR A 44 -11.004 -12.403 2.297 1.00 0.00 ATOM 347 C THR A 44 -10.282 -11.422 2.497 1.00 0.00 ATOM 348 N GLU A 45 -10.544 -10.501 3.422 1.00 0.00 ATOM 349 CA GLU A 45 -11.737 -10.554 4.262 1.00 0.00 ATOM 350 CB GLU A 45 -11.362 -10.300 5.724 1.00 0.00 ATOM 351 CG GLU A 45 -10.433 -11.347 6.318 1.00 0.00 ATOM 352 CD GLU A 45 -10.092 -11.068 7.768 1.00 0.00 ATOM 353 OE1 GLU A 45 -10.626 -10.086 8.325 1.00 0.00 ATOM 354 OE2 GLU A 45 -9.290 -11.830 8.347 1.00 0.00 ATOM 355 O GLU A 45 -13.762 -9.297 4.484 1.00 0.00 ATOM 356 C GLU A 45 -12.763 -9.535 3.806 1.00 0.00 ATOM 357 N GLY A 46 -12.521 -8.857 2.653 1.00 0.00 ATOM 358 CA GLY A 46 -13.467 -7.873 2.168 1.00 0.00 ATOM 359 O GLY A 46 -14.419 -5.843 3.009 1.00 0.00 ATOM 360 C GLY A 46 -13.420 -6.567 2.938 1.00 0.00 ATOM 361 N ARG A 47 -12.265 -6.266 3.531 1.00 0.00 ATOM 362 CA ARG A 47 -12.085 -5.034 4.298 1.00 0.00 ATOM 363 CB ARG A 47 -11.289 -5.309 5.570 1.00 0.00 ATOM 364 CG ARG A 47 -10.910 -4.041 6.350 1.00 0.00 ATOM 365 CD ARG A 47 -10.241 -4.348 7.684 1.00 0.00 ATOM 366 NE ARG A 47 -11.191 -4.917 8.629 1.00 0.00 ATOM 367 CZ ARG A 47 -11.683 -4.274 9.683 1.00 0.00 ATOM 368 NH1 ARG A 47 -11.314 -3.027 9.940 1.00 0.00 ATOM 369 NH2 ARG A 47 -12.583 -4.866 10.460 1.00 0.00 ATOM 370 O ARG A 47 -10.398 -4.395 2.717 1.00 0.00 ATOM 371 C ARG A 47 -11.279 -4.021 3.491 1.00 0.00 ATOM 372 N MET A 48 -11.614 -2.740 3.644 1.00 0.00 ATOM 373 CA MET A 48 -10.871 -1.674 2.980 1.00 0.00 ATOM 374 CB MET A 48 -11.594 -0.334 3.137 1.00 0.00 ATOM 375 CG MET A 48 -12.905 -0.245 2.372 1.00 0.00 ATOM 376 SD MET A 48 -13.749 1.329 2.620 1.00 0.00 ATOM 377 CE MET A 48 -12.710 2.425 1.657 1.00 0.00 ATOM 378 O MET A 48 -9.329 -1.438 4.806 1.00 0.00 ATOM 379 C MET A 48 -9.484 -1.499 3.586 1.00 0.00 ATOM 380 N VAL A 49 -8.492 -1.375 2.712 1.00 0.00 ATOM 381 CA VAL A 49 -7.117 -1.137 3.124 1.00 0.00 ATOM 382 CB VAL A 49 -6.237 -2.366 2.825 1.00 0.00 ATOM 383 CG1 VAL A 49 -6.718 -3.571 3.618 1.00 0.00 ATOM 384 CG2 VAL A 49 -6.288 -2.713 1.346 1.00 0.00 ATOM 385 O VAL A 49 -7.008 0.350 1.251 1.00 0.00 ATOM 386 C VAL A 49 -6.587 0.074 2.379 1.00 0.00 ATOM 387 N TRP A 50 -5.672 0.796 3.019 1.00 0.00 ATOM 388 CA TRP A 50 -5.210 2.080 2.506 1.00 0.00 ATOM 389 CB TRP A 50 -5.735 3.232 3.368 1.00 0.00 ATOM 390 CG TRP A 50 -7.217 3.461 3.336 1.00 0.00 ATOM 391 CD1 TRP A 50 -8.127 3.089 4.287 1.00 0.00 ATOM 392 CD2 TRP A 50 -7.957 4.179 2.331 1.00 0.00 ATOM 393 CE2 TRP A 50 -9.307 4.210 2.754 1.00 0.00 ATOM 394 CE3 TRP A 50 -7.607 4.790 1.119 1.00 0.00 ATOM 395 NE1 TRP A 50 -9.379 3.538 3.943 1.00 0.00 ATOM 396 CZ2 TRP A 50 -10.319 4.838 1.997 1.00 0.00 ATOM 397 CZ3 TRP A 50 -8.622 5.412 0.361 1.00 0.00 ATOM 398 CH2 TRP A 50 -9.956 5.430 0.812 1.00 0.00 ATOM 399 O TRP A 50 -3.006 1.546 3.293 1.00 0.00 ATOM 400 C TRP A 50 -3.701 2.191 2.504 1.00 0.00 ATOM 401 N ARG A 51 -3.198 2.887 1.497 1.00 0.00 ATOM 402 CA ARG A 51 -1.813 3.312 1.448 1.00 0.00 ATOM 403 CB ARG A 51 -1.100 2.665 0.260 1.00 0.00 ATOM 404 CG ARG A 51 0.361 3.064 0.121 1.00 0.00 ATOM 405 CD ARG A 51 1.019 2.351 -1.048 1.00 0.00 ATOM 406 NE ARG A 51 2.408 2.769 -1.232 1.00 0.00 ATOM 407 CZ ARG A 51 3.234 2.241 -2.130 1.00 0.00 ATOM 408 NH1 ARG A 51 4.480 2.684 -2.225 1.00 0.00 ATOM 409 NH2 ARG A 51 2.812 1.272 -2.930 1.00 0.00 ATOM 410 O ARG A 51 -2.372 5.356 0.329 1.00 0.00 ATOM 411 C ARG A 51 -1.791 4.817 1.276 1.00 0.00 ATOM 412 N ALA A 52 -1.111 5.490 2.191 1.00 0.00 ATOM 413 CA ALA A 52 -1.089 6.943 2.193 1.00 0.00 ATOM 414 CB ALA A 52 -1.144 7.448 3.627 1.00 0.00 ATOM 415 O ALA A 52 1.158 6.815 1.336 1.00 0.00 ATOM 416 C ALA A 52 0.161 7.522 1.542 1.00 0.00 ATOM 417 N TRP A 53 0.071 8.810 1.213 1.00 0.00 ATOM 418 CA TRP A 53 1.246 9.589 0.799 1.00 0.00 ATOM 419 CB TRP A 53 0.560 10.806 -0.125 1.00 0.00 ATOM 420 CG TRP A 53 1.577 11.848 -0.544 1.00 0.00 ATOM 421 CD1 TRP A 53 2.415 11.776 -1.624 1.00 0.00 ATOM 422 CD2 TRP A 53 2.007 12.982 0.211 1.00 0.00 ATOM 423 CE2 TRP A 53 3.045 13.605 -0.521 1.00 0.00 ATOM 424 CE3 TRP A 53 1.598 13.571 1.407 1.00 0.00 ATOM 425 NE1 TRP A 53 3.250 12.863 -1.660 1.00 0.00 ATOM 426 CZ2 TRP A 53 3.687 14.758 -0.076 1.00 0.00 ATOM 427 CZ3 TRP A 53 2.225 14.746 1.834 1.00 0.00 ATOM 428 CH2 TRP A 53 3.251 15.328 1.091 1.00 0.00 ATOM 429 O TRP A 53 3.461 10.167 1.461 1.00 0.00 ATOM 430 C TRP A 53 2.353 9.778 1.838 1.00 0.00 ATOM 431 N ASN A 54 2.063 9.453 3.167 1.00 0.00 ATOM 432 CA ASN A 54 3.110 9.470 4.186 1.00 0.00 ATOM 433 CB ASN A 54 3.056 10.729 5.029 1.00 0.00 ATOM 434 CG ASN A 54 1.814 10.845 5.916 1.00 0.00 ATOM 435 ND2 ASN A 54 0.836 11.628 5.481 1.00 0.00 ATOM 436 OD1 ASN A 54 1.758 10.261 6.995 1.00 0.00 ATOM 437 O ASN A 54 1.825 7.665 5.051 1.00 0.00 ATOM 438 C ASN A 54 2.872 8.298 5.114 1.00 0.00 ATOM 439 N PHE A 55 3.880 7.970 5.910 1.00 0.00 ATOM 440 CA PHE A 55 3.800 6.864 6.845 1.00 0.00 ATOM 441 CB PHE A 55 4.849 5.831 6.534 1.00 0.00 ATOM 442 CG PHE A 55 4.699 5.271 5.153 1.00 0.00 ATOM 443 CD1 PHE A 55 3.506 4.671 4.758 1.00 0.00 ATOM 444 CD2 PHE A 55 5.722 5.419 4.221 1.00 0.00 ATOM 445 CE1 PHE A 55 3.324 4.220 3.432 1.00 0.00 ATOM 446 CE2 PHE A 55 5.556 4.976 2.896 1.00 0.00 ATOM 447 CZ PHE A 55 4.357 4.381 2.502 1.00 0.00 ATOM 448 O PHE A 55 4.884 8.441 8.294 1.00 0.00 ATOM 449 C PHE A 55 4.240 7.382 8.197 1.00 0.00 ATOM 450 N GLU A 56 3.869 6.654 9.242 1.00 0.00 ATOM 451 CA GLU A 56 4.237 7.056 10.595 1.00 0.00 ATOM 452 CB GLU A 56 3.601 6.119 11.624 1.00 0.00 ATOM 453 CG GLU A 56 2.091 6.258 11.740 1.00 0.00 ATOM 454 CD GLU A 56 1.491 5.281 12.730 1.00 0.00 ATOM 455 OE1 GLU A 56 2.248 4.458 13.286 1.00 0.00 ATOM 456 OE2 GLU A 56 0.262 5.337 12.952 1.00 0.00 ATOM 457 O GLU A 56 6.454 6.226 10.200 1.00 0.00 ATOM 458 C GLU A 56 5.754 7.015 10.814 1.00 0.00 ATOM 459 N PRO A 57 6.267 7.887 11.673 1.00 0.00 ATOM 460 CA PRO A 57 7.705 7.898 11.927 1.00 0.00 ATOM 461 CB PRO A 57 7.882 8.965 13.008 1.00 0.00 ATOM 462 CG PRO A 57 6.722 9.885 12.820 1.00 0.00 ATOM 463 CD PRO A 57 5.560 9.014 12.428 1.00 0.00 ATOM 464 O PRO A 57 9.339 6.123 12.114 1.00 0.00 ATOM 465 C PRO A 57 8.207 6.519 12.394 1.00 0.00 ATOM 466 N ASP A 58 7.360 5.785 13.100 1.00 0.00 ATOM 467 CA ASP A 58 7.720 4.465 13.595 1.00 0.00 ATOM 468 CB ASP A 58 6.589 3.887 14.448 1.00 0.00 ATOM 469 CG ASP A 58 6.465 4.574 15.793 1.00 0.00 ATOM 470 OD1 ASP A 58 7.394 5.320 16.168 1.00 0.00 ATOM 471 OD2 ASP A 58 5.437 4.366 16.473 1.00 0.00 ATOM 472 O ASP A 58 8.974 2.766 12.474 1.00 0.00 ATOM 473 C ASP A 58 7.997 3.504 12.452 1.00 0.00 ATOM 474 N ALA A 59 7.141 3.506 11.449 1.00 0.00 ATOM 475 CA ALA A 59 7.303 2.656 10.277 1.00 0.00 ATOM 476 CB ALA A 59 6.106 2.799 9.350 1.00 0.00 ATOM 477 O ALA A 59 9.311 2.213 9.045 1.00 0.00 ATOM 478 C ALA A 59 8.564 3.065 9.530 1.00 0.00 ATOM 479 N GLY A 60 8.819 4.364 9.450 1.00 0.00 ATOM 480 CA GLY A 60 10.045 4.824 8.806 1.00 0.00 ATOM 481 O GLY A 60 12.232 3.820 8.859 1.00 0.00 ATOM 482 C GLY A 60 11.286 4.258 9.513 1.00 0.00 ATOM 483 N GLU A 61 11.263 4.236 10.847 1.00 0.00 ATOM 484 CA GLU A 61 12.401 3.688 11.601 1.00 0.00 ATOM 485 CB GLU A 61 12.202 3.905 13.103 1.00 0.00 ATOM 486 CG GLU A 61 12.306 5.357 13.540 1.00 0.00 ATOM 487 CD GLU A 61 11.982 5.548 15.008 1.00 0.00 ATOM 488 OE1 GLU A 61 11.607 4.557 15.668 1.00 0.00 ATOM 489 OE2 GLU A 61 12.103 6.690 15.499 1.00 0.00 ATOM 490 O GLU A 61 13.677 1.678 11.234 1.00 0.00 ATOM 491 C GLU A 61 12.557 2.187 11.351 1.00 0.00 ATOM 492 N GLY A 62 11.435 1.481 11.259 1.00 0.00 ATOM 493 CA GLY A 62 11.479 0.051 10.983 1.00 0.00 ATOM 494 O GLY A 62 12.931 -1.107 9.478 1.00 0.00 ATOM 495 C GLY A 62 12.149 -0.181 9.645 1.00 0.00 ATOM 496 N LEU A 63 11.822 0.675 8.689 1.00 0.00 ATOM 497 CA LEU A 63 12.393 0.535 7.370 1.00 0.00 ATOM 498 CB LEU A 63 11.735 1.545 6.412 1.00 0.00 ATOM 499 CG LEU A 63 12.293 1.590 4.988 1.00 0.00 ATOM 500 CD1 LEU A 63 12.120 0.244 4.311 1.00 0.00 ATOM 501 CD2 LEU A 63 11.568 2.678 4.206 1.00 0.00 ATOM 502 O LEU A 63 14.638 0.024 6.770 1.00 0.00 ATOM 503 C LEU A 63 13.893 0.728 7.431 1.00 0.00 ATOM 504 N ASN A 64 14.339 1.741 8.164 1.00 0.00 ATOM 505 CA ASN A 64 15.768 1.979 8.264 1.00 0.00 ATOM 506 CB ASN A 64 16.051 3.174 9.177 1.00 0.00 ATOM 507 CG ASN A 64 15.692 4.498 8.530 1.00 0.00 ATOM 508 ND2 ASN A 64 15.511 5.526 9.352 1.00 0.00 ATOM 509 OD1 ASN A 64 15.577 4.594 7.309 1.00 0.00 ATOM 510 O ASN A 64 17.537 0.370 8.360 1.00 0.00 ATOM 511 C ASN A 64 16.460 0.745 8.821 1.00 0.00 ATOM 512 N ARG A 65 15.836 0.123 9.815 1.00 0.00 ATOM 513 CA ARG A 65 16.387 -1.095 10.401 1.00 0.00 ATOM 514 CB ARG A 65 15.480 -1.612 11.518 1.00 0.00 ATOM 515 CG ARG A 65 15.478 -0.745 12.768 1.00 0.00 ATOM 516 CD ARG A 65 14.502 -1.273 13.805 1.00 0.00 ATOM 517 NE ARG A 65 14.466 -0.435 15.002 1.00 0.00 ATOM 518 CZ ARG A 65 13.647 -0.632 16.028 1.00 0.00 ATOM 519 NH1 ARG A 65 13.685 0.182 17.074 1.00 0.00 ATOM 520 NH2 ARG A 65 12.789 -1.643 16.008 1.00 0.00 ATOM 521 O ARG A 65 17.603 -2.869 9.329 1.00 0.00 ATOM 522 C ARG A 65 16.553 -2.229 9.391 1.00 0.00 ATOM 523 N TYR A 66 15.547 -2.422 8.549 1.00 0.00 ATOM 524 CA TYR A 66 15.609 -3.438 7.507 1.00 0.00 ATOM 525 CB TYR A 66 14.248 -3.545 6.805 1.00 0.00 ATOM 526 CG TYR A 66 13.128 -3.918 7.712 1.00 0.00 ATOM 527 CD1 TYR A 66 13.339 -4.480 8.972 1.00 0.00 ATOM 528 CD2 TYR A 66 11.822 -3.706 7.329 1.00 0.00 ATOM 529 CE1 TYR A 66 12.268 -4.758 9.836 1.00 0.00 ATOM 530 CE2 TYR A 66 10.728 -3.973 8.154 1.00 0.00 ATOM 531 CZ TYR A 66 10.973 -4.478 9.414 1.00 0.00 ATOM 532 OH TYR A 66 9.916 -4.730 10.272 1.00 0.00 ATOM 533 O TYR A 66 17.470 -3.960 6.057 1.00 0.00 ATOM 534 C TYR A 66 16.725 -3.088 6.513 1.00 0.00 ATOM 535 N ILE A 67 16.830 -1.812 6.145 1.00 0.00 ATOM 536 CA ILE A 67 17.901 -1.378 5.253 1.00 0.00 ATOM 537 CB ILE A 67 17.827 0.194 5.004 1.00 0.00 ATOM 538 CG1 ILE A 67 16.738 0.503 3.971 1.00 0.00 ATOM 539 CG2 ILE A 67 19.159 0.735 4.518 1.00 0.00 ATOM 540 CD1 ILE A 67 16.215 1.954 3.912 1.00 0.00 ATOM 541 O ILE A 67 20.190 -2.112 5.127 1.00 0.00 ATOM 542 C ILE A 67 19.269 -1.713 5.846 1.00 0.00 ATOM 543 N ARG A 68 19.421 -1.528 7.159 1.00 0.00 ATOM 544 CA ARG A 68 20.676 -1.840 7.830 1.00 0.00 ATOM 545 CB ARG A 68 20.561 -1.525 9.324 1.00 0.00 ATOM 546 CG ARG A 68 20.531 -0.040 9.643 1.00 0.00 ATOM 547 CD ARG A 68 20.343 0.200 11.132 1.00 0.00 ATOM 548 NE ARG A 68 20.284 1.624 11.455 1.00 0.00 ATOM 549 CZ ARG A 68 20.053 2.106 12.672 1.00 0.00 ATOM 550 NH1 ARG A 68 20.018 3.418 12.869 1.00 0.00 ATOM 551 NH2 ARG A 68 19.858 1.277 13.688 1.00 0.00 ATOM 552 O ARG A 68 22.167 -3.692 7.449 1.00 0.00 ATOM 553 C ARG A 68 21.007 -3.319 7.664 1.00 0.00 ATOM 554 N THR A 69 19.986 -4.160 7.776 1.00 0.00 ATOM 555 CA THR A 69 20.151 -5.599 7.664 1.00 0.00 ATOM 556 CB THR A 69 18.810 -6.335 7.844 1.00 0.00 ATOM 557 CG2 THR A 69 19.004 -7.836 7.698 1.00 0.00 ATOM 558 OG1 THR A 69 18.282 -6.060 9.148 1.00 0.00 ATOM 559 O THR A 69 21.436 -6.965 6.183 1.00 0.00 ATOM 560 C THR A 69 20.724 -5.976 6.311 1.00 0.00 ATOM 561 N SER A 70 20.426 -5.157 5.313 1.00 0.00 ATOM 562 CA SER A 70 20.872 -5.409 3.956 1.00 0.00 ATOM 563 CB SER A 70 19.784 -5.005 2.957 1.00 0.00 ATOM 564 OG SER A 70 19.519 -3.617 3.024 1.00 0.00 ATOM 565 O SER A 70 22.798 -5.004 2.582 1.00 0.00 ATOM 566 C SER A 70 22.219 -4.757 3.651 1.00 0.00 ATOM 567 N GLY A 71 22.682 -3.916 4.561 1.00 0.00 ATOM 568 CA GLY A 71 23.949 -3.246 4.341 1.00 0.00 ATOM 569 O GLY A 71 24.895 -1.313 3.265 1.00 0.00 ATOM 570 C GLY A 71 23.879 -1.852 3.724 1.00 0.00 ATOM 571 N ILE A 72 22.686 -1.261 3.685 1.00 0.00 ATOM 572 CA ILE A 72 22.554 0.074 3.113 1.00 0.00 ATOM 573 CB ILE A 72 21.045 0.389 2.968 1.00 0.00 ATOM 574 CG1 ILE A 72 20.490 -0.496 1.843 1.00 0.00 ATOM 575 CG2 ILE A 72 20.807 1.872 2.824 1.00 0.00 ATOM 576 CD1 ILE A 72 19.005 -0.424 1.584 1.00 0.00 ATOM 577 O ILE A 72 23.158 0.925 5.269 1.00 0.00 ATOM 578 C ILE A 72 23.235 1.048 4.037 1.00 0.00 ATOM 579 N ARG A 73 23.904 2.032 3.435 1.00 0.00 ATOM 580 CA ARG A 73 24.570 3.074 4.199 1.00 0.00 ATOM 581 CB ARG A 73 25.388 3.878 3.082 1.00 0.00 ATOM 582 CG ARG A 73 26.525 3.030 2.569 1.00 0.00 ATOM 583 CD ARG A 73 27.373 3.759 1.555 1.00 0.00 ATOM 584 NE ARG A 73 28.362 2.856 0.971 1.00 0.00 ATOM 585 CZ ARG A 73 29.450 2.416 1.596 1.00 0.00 ATOM 586 NH1 ARG A 73 29.719 2.793 2.845 1.00 0.00 ATOM 587 NH2 ARG A 73 30.268 1.580 0.968 1.00 0.00 ATOM 588 O ARG A 73 22.375 4.055 4.185 1.00 0.00 ATOM 589 C ARG A 73 23.540 4.133 4.587 1.00 0.00 ATOM 590 N THR A 74 23.900 5.078 5.396 1.00 0.00 ATOM 591 CA THR A 74 22.970 6.119 5.811 1.00 0.00 ATOM 592 CB THR A 74 23.571 7.067 6.804 1.00 0.00 ATOM 593 CG2 THR A 74 23.817 6.366 8.120 1.00 0.00 ATOM 594 OG1 THR A 74 24.838 7.575 6.351 1.00 0.00 ATOM 595 O THR A 74 21.338 7.303 4.513 1.00 0.00 ATOM 596 C THR A 74 22.510 6.939 4.598 1.00 0.00 ATOM 597 N ASP A 75 23.458 7.152 3.657 1.00 0.00 ATOM 598 CA ASP A 75 23.040 7.922 2.489 1.00 0.00 ATOM 599 CB ASP A 75 24.215 8.238 1.604 1.00 0.00 ATOM 600 CG ASP A 75 25.199 9.186 2.260 1.00 0.00 ATOM 601 OD1 ASP A 75 24.855 9.774 3.312 1.00 0.00 ATOM 602 OD2 ASP A 75 26.310 9.345 1.709 1.00 0.00 ATOM 603 O ASP A 75 20.975 7.689 1.283 1.00 0.00 ATOM 604 C ASP A 75 21.990 7.137 1.702 1.00 0.00 ATOM 605 N THR A 76 22.206 5.832 1.550 1.00 0.00 ATOM 606 CA THR A 76 21.250 5.008 0.826 1.00 0.00 ATOM 607 CB THR A 76 21.880 3.584 0.607 1.00 0.00 ATOM 608 CG2 THR A 76 20.919 2.680 -0.155 1.00 0.00 ATOM 609 OG1 THR A 76 23.104 3.703 -0.127 1.00 0.00 ATOM 610 O THR A 76 18.858 5.053 0.908 1.00 0.00 ATOM 611 C THR A 76 19.903 4.921 1.537 1.00 0.00 ATOM 612 N ALA A 77 19.933 4.742 2.839 1.00 0.00 ATOM 613 CA ALA A 77 18.705 4.657 3.622 1.00 0.00 ATOM 614 CB ALA A 77 18.997 4.304 5.052 1.00 0.00 ATOM 615 O ALA A 77 16.695 5.950 3.411 1.00 0.00 ATOM 616 C ALA A 77 17.925 5.960 3.548 1.00 0.00 ATOM 617 N THR A 78 18.639 7.064 3.650 1.00 0.00 ATOM 618 CA THR A 78 17.996 8.375 3.603 1.00 0.00 ATOM 619 CB THR A 78 18.953 9.523 3.979 1.00 0.00 ATOM 620 CG2 THR A 78 19.406 9.373 5.419 1.00 0.00 ATOM 621 OG1 THR A 78 20.101 9.501 3.128 1.00 0.00 ATOM 622 O THR A 78 16.322 9.281 2.135 1.00 0.00 ATOM 623 C THR A 78 17.367 8.639 2.232 1.00 0.00 ATOM 624 N ARG A 79 17.992 8.133 1.182 1.00 0.00 ATOM 625 CA ARG A 79 17.494 8.316 -0.173 1.00 0.00 ATOM 626 CB ARG A 79 18.444 7.807 -1.233 1.00 0.00 ATOM 627 CG ARG A 79 19.636 8.743 -1.416 1.00 0.00 ATOM 628 CD ARG A 79 20.671 8.103 -2.337 1.00 0.00 ATOM 629 NE ARG A 79 21.874 8.922 -2.399 1.00 0.00 ATOM 630 CZ ARG A 79 22.049 9.954 -3.217 1.00 0.00 ATOM 631 NH1 ARG A 79 21.097 10.296 -4.072 1.00 0.00 ATOM 632 NH2 ARG A 79 23.195 10.624 -3.183 1.00 0.00 ATOM 633 O ARG A 79 15.212 8.132 -0.990 1.00 0.00 ATOM 634 C ARG A 79 16.128 7.601 -0.348 1.00 0.00 ATOM 635 N LEU A 80 16.006 6.377 0.219 1.00 0.00 ATOM 636 CA LEU A 80 14.752 5.607 0.138 1.00 0.00 ATOM 637 CB LEU A 80 14.856 4.241 0.734 1.00 0.00 ATOM 638 CG LEU A 80 15.744 3.244 -0.011 1.00 0.00 ATOM 639 CD1 LEU A 80 15.549 1.854 0.634 1.00 0.00 ATOM 640 CD2 LEU A 80 15.387 3.202 -1.502 1.00 0.00 ATOM 641 O LEU A 80 12.486 6.510 0.449 1.00 0.00 ATOM 642 C LEU A 80 13.641 6.381 0.887 1.00 0.00 ATOM 643 N GLU A 81 14.020 6.949 2.008 1.00 0.00 ATOM 644 CA GLU A 81 13.060 7.711 2.763 1.00 0.00 ATOM 645 CB GLU A 81 13.711 8.144 4.087 1.00 0.00 ATOM 646 CG GLU A 81 12.880 9.115 4.907 1.00 0.00 ATOM 647 CD GLU A 81 13.459 9.356 6.291 1.00 0.00 ATOM 648 OE1 GLU A 81 14.698 9.441 6.417 1.00 0.00 ATOM 649 OE2 GLU A 81 12.674 9.477 7.251 1.00 0.00 ATOM 650 O GLU A 81 11.415 9.262 2.016 1.00 0.00 ATOM 651 C GLU A 81 12.602 8.923 1.982 1.00 0.00 ATOM 652 N HIS A 82 13.553 9.602 1.324 1.00 0.00 ATOM 653 CA HIS A 82 13.221 10.821 0.549 1.00 0.00 ATOM 654 CB HIS A 82 14.431 11.576 0.091 1.00 0.00 ATOM 655 CG HIS A 82 15.178 12.261 1.192 1.00 0.00 ATOM 656 CD2 HIS A 82 16.429 12.077 1.672 1.00 0.00 ATOM 657 ND1 HIS A 82 14.618 13.262 1.956 1.00 0.00 ATOM 658 CE1 HIS A 82 15.492 13.664 2.862 1.00 0.00 ATOM 659 NE2 HIS A 82 16.600 12.961 2.711 1.00 0.00 ATOM 660 O HIS A 82 11.346 11.256 -0.886 1.00 0.00 ATOM 661 C HIS A 82 12.316 10.533 -0.655 1.00 0.00 ATOM 662 N HIS A 83 12.806 9.475 -1.447 1.00 0.00 ATOM 663 CA HIS A 83 12.132 9.237 -2.746 1.00 0.00 ATOM 664 CB HIS A 83 13.261 8.368 -3.532 1.00 0.00 ATOM 665 CG HIS A 83 14.549 9.088 -3.730 1.00 0.00 ATOM 666 CD2 HIS A 83 14.942 10.405 -3.694 1.00 0.00 ATOM 667 ND1 HIS A 83 15.689 8.376 -4.045 1.00 0.00 ATOM 668 CE1 HIS A 83 16.743 9.188 -4.151 1.00 0.00 ATOM 669 NE2 HIS A 83 16.318 10.439 -3.946 1.00 0.00 ATOM 670 O HIS A 83 9.883 8.672 -3.334 1.00 0.00 ATOM 671 C HIS A 83 10.842 8.439 -2.598 1.00 0.00 ATOM 672 N HIS A 84 10.709 7.562 -1.621 1.00 0.00 ATOM 673 CA HIS A 84 9.532 6.714 -1.453 1.00 0.00 ATOM 674 CB HIS A 84 9.678 5.306 -1.765 1.00 0.00 ATOM 675 CG HIS A 84 10.040 5.000 -3.158 1.00 0.00 ATOM 676 CD2 HIS A 84 9.299 4.629 -4.227 1.00 0.00 ATOM 677 ND1 HIS A 84 11.342 5.048 -3.615 1.00 0.00 ATOM 678 CE1 HIS A 84 11.339 4.736 -4.927 1.00 0.00 ATOM 679 NE2 HIS A 84 10.087 4.468 -5.348 1.00 0.00 ATOM 680 O HIS A 84 7.711 6.660 0.013 1.00 0.00 ATOM 681 C HIS A 84 8.898 6.849 -0.092 1.00 0.00 ATOM 682 N HIS A 85 9.652 7.095 0.961 1.00 0.00 ATOM 683 CA HIS A 85 9.111 7.122 2.316 1.00 0.00 ATOM 684 CB HIS A 85 10.246 7.343 3.324 1.00 0.00 ATOM 685 CG HIS A 85 9.835 7.149 4.750 1.00 0.00 ATOM 686 CD2 HIS A 85 9.873 7.986 5.815 1.00 0.00 ATOM 687 ND1 HIS A 85 9.312 5.962 5.216 1.00 0.00 ATOM 688 CE1 HIS A 85 9.047 6.075 6.507 1.00 0.00 ATOM 689 NE2 HIS A 85 9.378 7.294 6.894 1.00 0.00 ATOM 690 O HIS A 85 6.981 7.847 3.143 1.00 0.00 ATOM 691 C HIS A 85 7.993 8.145 2.507 1.00 0.00 ATOM 692 N HIS A 86 8.154 9.351 1.963 1.00 0.00 ATOM 693 CA HIS A 86 7.126 10.378 2.104 1.00 0.00 ATOM 694 CB HIS A 86 7.556 11.697 1.502 1.00 0.00 ATOM 695 CG HIS A 86 8.691 12.339 2.237 1.00 0.00 ATOM 696 CD2 HIS A 86 9.834 12.913 1.789 1.00 0.00 ATOM 697 ND1 HIS A 86 8.723 12.447 3.610 1.00 0.00 ATOM 698 CE1 HIS A 86 9.844 13.043 3.978 1.00 0.00 ATOM 699 NE2 HIS A 86 10.531 13.345 2.891 1.00 0.00 ATOM 700 O HIS A 86 4.738 10.408 1.941 1.00 0.00 ATOM 701 C HIS A 86 5.795 9.972 1.488 1.00 0.00 ATOM 702 N HIS A 87 5.851 9.091 0.497 1.00 0.00 ATOM 703 CA HIS A 87 4.644 8.603 -0.158 1.00 0.00 ATOM 704 CB HIS A 87 4.972 8.124 -1.573 1.00 0.00 ATOM 705 CG HIS A 87 5.375 9.226 -2.504 1.00 0.00 ATOM 706 CD2 HIS A 87 6.545 9.891 -2.643 1.00 0.00 ATOM 707 ND1 HIS A 87 4.514 9.769 -3.433 1.00 0.00 ATOM 708 CE1 HIS A 87 5.137 10.719 -4.104 1.00 0.00 ATOM 709 NE2 HIS A 87 6.371 10.815 -3.645 1.00 0.00 ATOM 710 O HIS A 87 2.808 7.229 0.547 1.00 0.00 ATOM 711 C HIS A 87 4.015 7.459 0.630 1.00 0.00 ENDMDL EXPDTA 2hjjA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hjjA ATOM 1 N GLY 10 11.624 3.342 4.919 1.00 0.00 ATOM 2 CA GLY 10 10.677 4.415 5.181 1.00 0.00 ATOM 3 O GLY 10 8.707 3.661 4.057 1.00 0.00 ATOM 4 C GLY 10 9.589 4.518 4.125 1.00 0.00 ATOM 5 N PRO 11 9.608 5.581 3.301 1.00 0.00 ATOM 6 CA PRO 11 8.653 5.743 2.211 1.00 0.00 ATOM 7 CB PRO 11 8.792 7.215 1.825 1.00 0.00 ATOM 8 CG PRO 11 10.169 7.607 2.238 1.00 0.00 ATOM 9 CD PRO 11 10.555 6.708 3.383 1.00 0.00 ATOM 10 O PRO 11 10.009 4.166 0.998 1.00 0.00 ATOM 11 C PRO 11 8.978 4.843 1.022 1.00 0.00 ATOM 12 N PHE 12 8.105 4.847 0.031 1.00 0.00 ATOM 13 CA PHE 12 8.274 3.995 -1.138 1.00 0.00 ATOM 14 CB PHE 12 7.217 2.886 -1.153 1.00 0.00 ATOM 15 CG PHE 12 5.790 3.367 -1.064 1.00 0.00 ATOM 16 CD1 PHE 12 5.265 3.800 0.142 1.00 0.00 ATOM 17 CD2 PHE 12 4.969 3.363 -2.179 1.00 0.00 ATOM 18 CE1 PHE 12 3.955 4.216 0.236 1.00 0.00 ATOM 19 CE2 PHE 12 3.654 3.782 -2.089 1.00 0.00 ATOM 20 CZ PHE 12 3.149 4.209 -0.879 1.00 0.00 ATOM 21 O PHE 12 8.119 6.031 -2.392 1.00 0.00 ATOM 22 C PHE 12 8.202 4.807 -2.422 1.00 0.00 ATOM 23 N THR 13 8.244 4.113 -3.545 1.00 0.00 ATOM 24 CA THR 13 8.156 4.748 -4.847 1.00 0.00 ATOM 25 CB THR 13 9.447 4.536 -5.666 1.00 0.00 ATOM 26 CG2 THR 13 10.666 4.967 -4.870 1.00 0.00 ATOM 27 OG1 THR 13 9.588 3.153 -6.025 1.00 0.00 ATOM 28 O THR 13 6.373 3.190 -5.199 1.00 0.00 ATOM 29 C THR 13 6.978 4.177 -5.623 1.00 0.00 ATOM 30 N ARG 14 6.655 4.799 -6.748 1.00 0.00 ATOM 31 CA ARG 14 5.606 4.304 -7.630 1.00 0.00 ATOM 32 CB ARG 14 5.461 5.241 -8.825 1.00 0.00 ATOM 33 CG ARG 14 4.090 5.194 -9.486 1.00 0.00 ATOM 34 CD ARG 14 3.871 6.392 -10.400 1.00 0.00 ATOM 35 NE ARG 14 2.602 6.311 -11.126 1.00 0.00 ATOM 36 CZ ARG 14 1.484 6.941 -10.760 1.00 0.00 ATOM 37 NH1 ARG 14 1.464 7.703 -9.674 1.00 0.00 ATOM 38 NH2 ARG 14 0.386 6.833 -11.495 1.00 0.00 ATOM 39 O ARG 14 5.069 2.032 -8.205 1.00 0.00 ATOM 40 C ARG 14 5.940 2.894 -8.104 1.00 0.00 ATOM 41 N ARG 15 7.217 2.672 -8.394 1.00 0.00 ATOM 42 CA ARG 15 7.694 1.360 -8.806 1.00 0.00 ATOM 43 CB ARG 15 9.147 1.430 -9.269 1.00 0.00 ATOM 44 CG ARG 15 9.400 2.405 -10.406 1.00 0.00 ATOM 45 CD ARG 15 10.689 2.073 -11.140 1.00 0.00 ATOM 46 NE ARG 15 11.803 1.809 -10.226 1.00 0.00 ATOM 47 CZ ARG 15 13.055 1.576 -10.624 1.00 0.00 ATOM 48 NH1 ARG 15 13.368 1.615 -11.913 1.00 0.00 ATOM 49 NH2 ARG 15 13.996 1.298 -9.730 1.00 0.00 ATOM 50 O ARG 15 6.997 -0.723 -7.845 1.00 0.00 ATOM 51 C ARG 15 7.574 0.349 -7.668 1.00 0.00 ATOM 52 N GLN 16 8.120 0.699 -6.502 1.00 0.00 ATOM 53 CA GLN 16 8.069 -0.181 -5.334 1.00 0.00 ATOM 54 CB GLN 16 8.724 0.485 -4.125 1.00 0.00 ATOM 55 CG GLN 16 10.243 0.417 -4.122 1.00 0.00 ATOM 56 CD GLN 16 10.754 -0.988 -3.867 1.00 0.00 ATOM 57 OE1 GLN 16 10.104 -1.783 -3.192 1.00 0.00 ATOM 58 NE2 GLN 16 11.929 -1.300 -4.387 1.00 0.00 ATOM 59 O GLN 16 6.323 -1.721 -4.799 1.00 0.00 ATOM 60 C GLN 16 6.633 -0.551 -4.997 1.00 0.00 ATOM 61 N ALA 17 5.763 0.457 -4.951 1.00 0.00 ATOM 62 CA ALA 17 4.338 0.242 -4.683 1.00 0.00 ATOM 63 CB ALA 17 3.560 1.531 -4.901 1.00 0.00 ATOM 64 O ALA 17 3.158 -1.817 -5.082 1.00 0.00 ATOM 65 C ALA 17 3.776 -0.864 -5.570 1.00 0.00 ATOM 66 N GLN 18 4.021 -0.746 -6.870 1.00 0.00 ATOM 67 CA GLN 18 3.562 -1.731 -7.836 1.00 0.00 ATOM 68 CB GLN 18 4.070 -1.371 -9.226 1.00 0.00 ATOM 69 CG GLN 18 3.352 -0.190 -9.856 1.00 0.00 ATOM 70 CD GLN 18 3.994 0.254 -11.155 1.00 0.00 ATOM 71 OE1 GLN 18 3.651 -0.232 -12.233 1.00 0.00 ATOM 72 NE2 GLN 18 4.938 1.177 -11.060 1.00 0.00 ATOM 73 O GLN 18 3.274 -4.092 -7.576 1.00 0.00 ATOM 74 C GLN 18 4.031 -3.133 -7.468 1.00 0.00 ATOM 75 N ALA 19 5.268 -3.242 -7.005 1.00 0.00 ATOM 76 CA ALA 19 5.861 -4.533 -6.680 1.00 0.00 ATOM 77 CB ALA 19 7.363 -4.387 -6.488 1.00 0.00 ATOM 78 O ALA 19 5.168 -6.376 -5.301 1.00 0.00 ATOM 79 C ALA 19 5.226 -5.150 -5.437 1.00 0.00 ATOM 80 N VAL 20 4.686 -4.310 -4.561 1.00 0.00 ATOM 81 CA VAL 20 4.181 -4.788 -3.285 1.00 0.00 ATOM 82 CB VAL 20 4.286 -3.718 -2.171 1.00 0.00 ATOM 83 CG1 VAL 20 3.988 -4.323 -0.808 1.00 0.00 ATOM 84 CG2 VAL 20 5.659 -3.066 -2.167 1.00 0.00 ATOM 85 O VAL 20 2.166 -5.965 -2.749 1.00 0.00 ATOM 86 C VAL 20 2.736 -5.164 -3.481 1.00 0.00 ATOM 87 N THR 21 2.185 -4.621 -4.546 1.00 0.00 ATOM 88 CA THR 21 0.791 -4.781 -4.855 1.00 0.00 ATOM 89 CB THR 21 0.229 -3.479 -5.428 1.00 0.00 ATOM 90 CG2 THR 21 -1.266 -3.542 -5.471 1.00 0.00 ATOM 91 OG1 THR 21 0.625 -2.372 -4.607 1.00 0.00 ATOM 92 O THR 21 -0.381 -6.584 -5.932 1.00 0.00 ATOM 93 C THR 21 0.644 -5.907 -5.858 1.00 0.00 ATOM 94 N THR 22 1.696 -6.084 -6.636 1.00 0.00 ATOM 95 CA THR 22 1.846 -7.250 -7.469 1.00 0.00 ATOM 96 CB THR 22 3.106 -7.115 -8.342 1.00 0.00 ATOM 97 CG2 THR 22 3.445 -8.418 -9.032 1.00 0.00 ATOM 98 OG1 THR 22 2.916 -6.077 -9.312 1.00 0.00 ATOM 99 O THR 22 1.406 -9.545 -6.893 1.00 0.00 ATOM 100 C THR 22 1.946 -8.483 -6.581 1.00 0.00 ATOM 101 N THR 23 2.633 -8.319 -5.457 1.00 0.00 ATOM 102 CA THR 23 2.733 -9.373 -4.472 1.00 0.00 ATOM 103 CB THR 23 3.912 -9.124 -3.518 1.00 0.00 ATOM 104 CG2 THR 23 4.103 -10.297 -2.565 1.00 0.00 ATOM 105 OG1 THR 23 5.109 -8.929 -4.281 1.00 0.00 ATOM 106 O THR 23 0.815 -10.558 -3.649 1.00 0.00 ATOM 107 C THR 23 1.432 -9.494 -3.678 1.00 0.00 ATOM 108 N TYR 24 0.999 -8.409 -3.047 1.00 0.00 ATOM 109 CA TYR 24 -0.206 -8.446 -2.262 1.00 0.00 ATOM 110 CB TYR 24 0.052 -7.808 -0.894 1.00 0.00 ATOM 111 CG TYR 24 1.234 -8.413 -0.165 1.00 0.00 ATOM 112 CD1 TYR 24 1.130 -9.630 0.491 1.00 0.00 ATOM 113 CD2 TYR 24 2.463 -7.764 -0.152 1.00 0.00 ATOM 114 CE1 TYR 24 2.220 -10.187 1.136 1.00 0.00 ATOM 115 CE2 TYR 24 3.554 -8.311 0.494 1.00 0.00 ATOM 116 CZ TYR 24 3.429 -9.522 1.137 1.00 0.00 ATOM 117 OH TYR 24 4.520 -10.080 1.769 1.00 0.00 ATOM 118 O TYR 24 -1.386 -6.502 -3.027 1.00 0.00 ATOM 119 C TYR 24 -1.321 -7.727 -3.012 1.00 0.00 ATOM 120 N SER 25 -2.178 -8.501 -3.660 1.00 0.00 ATOM 121 CA SER 25 -3.278 -7.957 -4.447 1.00 0.00 ATOM 122 CB SER 25 -3.882 -9.069 -5.299 1.00 0.00 ATOM 123 OG SER 25 -3.982 -10.271 -4.550 1.00 0.00 ATOM 124 O SER 25 -5.313 -6.741 -4.029 1.00 0.00 ATOM 125 C SER 25 -4.341 -7.332 -3.551 1.00 0.00 ATOM 126 N ASN 26 -4.147 -7.467 -2.248 1.00 0.00 ATOM 127 CA ASN 26 -5.030 -6.854 -1.277 1.00 0.00 ATOM 128 CB ASN 26 -4.990 -7.620 0.051 1.00 0.00 ATOM 129 CG ASN 26 -3.638 -7.549 0.741 1.00 0.00 ATOM 130 ND2 ASN 26 -3.528 -6.698 1.748 1.00 0.00 ATOM 131 OD1 ASN 26 -2.715 -8.287 0.398 1.00 0.00 ATOM 132 O ASN 26 -5.333 -4.648 -0.400 1.00 0.00 ATOM 133 C ASN 26 -4.639 -5.396 -1.076 1.00 0.00 ATOM 134 N ILE 27 -3.519 -4.999 -1.670 1.00 0.00 ATOM 135 CA ILE 27 -3.116 -3.603 -1.670 1.00 0.00 ATOM 136 CB ILE 27 -1.577 -3.436 -1.692 1.00 0.00 ATOM 137 CG1 ILE 27 -0.881 -4.521 -0.861 1.00 0.00 ATOM 138 CG2 ILE 27 -1.186 -2.048 -1.198 1.00 0.00 ATOM 139 CD1 ILE 27 0.577 -4.230 -0.578 1.00 0.00 ATOM 140 O ILE 27 -4.057 -3.610 -3.868 1.00 0.00 ATOM 141 C ILE 27 -3.705 -2.930 -2.906 1.00 0.00 ATOM 142 N THR 28 -3.831 -1.610 -2.887 1.00 0.00 ATOM 143 CA THR 28 -4.363 -0.891 -4.035 1.00 0.00 ATOM 144 CB THR 28 -5.906 -0.884 -4.036 1.00 0.00 ATOM 145 CG2 THR 28 -6.444 -1.828 -5.099 1.00 0.00 ATOM 146 OG1 THR 28 -6.410 -1.268 -2.744 1.00 0.00 ATOM 147 O THR 28 -3.788 1.222 -3.066 1.00 0.00 ATOM 148 C THR 28 -3.840 0.538 -4.084 1.00 0.00 ATOM 149 N LEU 29 -3.435 0.976 -5.266 1.00 0.00 ATOM 150 CA LEU 29 -2.913 2.323 -5.441 1.00 0.00 ATOM 151 CB LEU 29 -1.832 2.327 -6.534 1.00 0.00 ATOM 152 CG LEU 29 -0.954 3.585 -6.620 1.00 0.00 ATOM 153 CD1 LEU 29 0.324 3.281 -7.379 1.00 0.00 ATOM 154 CD2 LEU 29 -1.690 4.726 -7.305 1.00 0.00 ATOM 155 O LEU 29 -4.618 3.197 -6.887 1.00 0.00 ATOM 156 C LEU 29 -4.051 3.274 -5.796 1.00 0.00 ATOM 157 N GLU 30 -4.399 4.153 -4.867 1.00 0.00 ATOM 158 CA GLU 30 -5.463 5.121 -5.096 1.00 0.00 ATOM 159 CB GLU 30 -6.728 4.746 -4.313 1.00 0.00 ATOM 160 CG GLU 30 -7.238 3.346 -4.617 1.00 0.00 ATOM 161 CD GLU 30 -8.667 3.132 -4.172 1.00 0.00 ATOM 162 OE1 GLU 30 -8.911 3.040 -2.957 1.00 0.00 ATOM 163 OE2 GLU 30 -9.557 3.041 -5.047 1.00 0.00 ATOM 164 O GLU 30 -3.880 6.692 -4.222 1.00 0.00 ATOM 165 C GLU 30 -5.001 6.519 -4.707 1.00 0.00 ATOM 166 N ASP 31 -5.869 7.505 -4.936 1.00 0.00 ATOM 167 CA ASP 31 -5.565 8.909 -4.641 1.00 0.00 ATOM 168 CB ASP 31 -5.288 9.115 -3.148 1.00 0.00 ATOM 169 CG ASP 31 -6.551 9.082 -2.311 1.00 0.00 ATOM 170 OD1 ASP 31 -7.286 10.089 -2.306 1.00 0.00 ATOM 171 OD2 ASP 31 -6.804 8.059 -1.636 1.00 0.00 ATOM 172 O ASP 31 -3.641 10.283 -5.044 1.00 0.00 ATOM 173 C ASP 31 -4.381 9.392 -5.463 1.00 0.00 ATOM 174 N ASP 32 -4.238 8.823 -6.652 1.00 0.00 ATOM 175 CA ASP 32 -3.101 9.112 -7.516 1.00 0.00 ATOM 176 CB ASP 32 -3.010 8.083 -8.642 1.00 0.00 ATOM 177 CG ASP 32 -1.849 8.347 -9.581 1.00 0.00 ATOM 178 OD1 ASP 32 -1.954 7.990 -10.772 1.00 0.00 ATOM 179 OD2 ASP 32 -0.824 8.905 -9.133 1.00 0.00 ATOM 180 O ASP 32 -4.163 10.884 -8.750 1.00 0.00 ATOM 181 C ASP 32 -3.181 10.516 -8.097 1.00 0.00 ATOM 182 N GLN 33 -2.142 11.288 -7.836 1.00 0.00 ATOM 183 CA GLN 33 -2.023 12.650 -8.330 1.00 0.00 ATOM 184 CB GLN 33 -2.293 13.630 -7.179 1.00 0.00 ATOM 185 CG GLN 33 -2.352 15.096 -7.586 1.00 0.00 ATOM 186 CD GLN 33 -2.453 16.021 -6.388 1.00 0.00 ATOM 187 OE1 GLN 33 -1.439 16.447 -5.830 1.00 0.00 ATOM 188 NE2 GLN 33 -3.672 16.341 -5.985 1.00 0.00 ATOM 189 O GLN 33 -0.145 13.977 -9.077 1.00 0.00 ATOM 190 C GLN 33 -0.616 12.853 -8.902 1.00 0.00 ATOM 191 N GLY 34 0.054 11.744 -9.193 1.00 0.00 ATOM 192 CA GLY 34 1.415 11.803 -9.690 1.00 0.00 ATOM 193 O GLY 34 2.660 10.022 -8.691 1.00 0.00 ATOM 194 C GLY 34 2.400 11.224 -8.695 1.00 0.00 ATOM 195 N SER 35 2.946 12.077 -7.844 1.00 0.00 ATOM 196 CA SER 35 3.815 11.621 -6.772 1.00 0.00 ATOM 197 CB SER 35 5.032 12.539 -6.631 1.00 0.00 ATOM 198 OG SER 35 5.996 11.985 -5.748 1.00 0.00 ATOM 199 O SER 35 3.430 10.984 -4.484 1.00 0.00 ATOM 200 C SER 35 3.018 11.585 -5.475 1.00 0.00 ATOM 201 N HIS 36 1.867 12.245 -5.495 1.00 0.00 ATOM 202 CA HIS 36 0.947 12.215 -4.371 1.00 0.00 ATOM 203 CB HIS 36 0.217 13.553 -4.211 1.00 0.00 ATOM 204 CG HIS 36 1.114 14.708 -3.891 1.00 0.00 ATOM 205 CD2 HIS 36 2.245 14.772 -3.155 1.00 0.00 ATOM 206 ND1 HIS 36 0.869 15.990 -4.325 1.00 0.00 ATOM 207 CE1 HIS 36 1.811 16.794 -3.868 1.00 0.00 ATOM 208 NE2 HIS 36 2.662 16.081 -3.150 1.00 0.00 ATOM 209 O HIS 36 -0.928 11.208 -5.442 1.00 0.00 ATOM 210 C HIS 36 -0.067 11.107 -4.579 1.00 0.00 ATOM 211 N PHE 37 0.065 10.043 -3.810 1.00 0.00 ATOM 212 CA PHE 37 -0.847 8.911 -3.884 1.00 0.00 ATOM 213 CB PHE 37 -0.595 8.064 -5.146 1.00 0.00 ATOM 214 CG PHE 37 0.772 7.440 -5.226 1.00 0.00 ATOM 215 CD1 PHE 37 0.995 6.162 -4.737 1.00 0.00 ATOM 216 CD2 PHE 37 1.829 8.126 -5.802 1.00 0.00 ATOM 217 CE1 PHE 37 2.246 5.583 -4.818 1.00 0.00 ATOM 218 CE2 PHE 37 3.083 7.553 -5.885 1.00 0.00 ATOM 219 CZ PHE 37 3.291 6.279 -5.393 1.00 0.00 ATOM 220 O PHE 37 0.326 8.193 -1.933 1.00 0.00 ATOM 221 C PHE 37 -0.679 8.063 -2.638 1.00 0.00 ATOM 222 N ARG 38 -1.649 7.214 -2.351 1.00 0.00 ATOM 223 CA ARG 38 -1.558 6.360 -1.178 1.00 0.00 ATOM 224 CB ARG 38 -2.321 6.966 0.006 1.00 0.00 ATOM 225 CG ARG 38 -3.775 7.302 -0.263 1.00 0.00 ATOM 226 CD ARG 38 -4.407 7.930 0.969 1.00 0.00 ATOM 227 NE ARG 38 -5.731 8.482 0.700 1.00 0.00 ATOM 228 CZ ARG 38 -6.381 9.297 1.532 1.00 0.00 ATOM 229 NH1 ARG 38 -5.827 9.654 2.688 1.00 0.00 ATOM 230 NH2 ARG 38 -7.579 9.763 1.199 1.00 0.00 ATOM 231 O ARG 38 -2.951 4.737 -2.272 1.00 0.00 ATOM 232 C ARG 38 -2.040 4.950 -1.468 1.00 0.00 ATOM 233 N LEU 39 -1.409 3.989 -0.813 1.00 0.00 ATOM 234 CA LEU 39 -1.761 2.597 -0.987 1.00 0.00 ATOM 235 CB LEU 39 -0.534 1.697 -0.871 1.00 0.00 ATOM 236 CG LEU 39 0.538 1.918 -1.931 1.00 0.00 ATOM 237 CD1 LEU 39 1.744 1.043 -1.640 1.00 0.00 ATOM 238 CD2 LEU 39 -0.009 1.623 -3.319 1.00 0.00 ATOM 239 O LEU 39 -2.616 2.388 1.244 1.00 0.00 ATOM 240 C LEU 39 -2.796 2.191 0.039 1.00 0.00 ATOM 241 N VAL 40 -3.883 1.645 -0.449 1.00 0.00 ATOM 242 CA VAL 40 -4.952 1.180 0.405 1.00 0.00 ATOM 243 CB VAL 40 -6.338 1.463 -0.210 1.00 0.00 ATOM 244 CG1 VAL 40 -7.439 1.106 0.774 1.00 0.00 ATOM 245 CG2 VAL 40 -6.451 2.918 -0.637 1.00 0.00 ATOM 246 O VAL 40 -4.973 -1.123 -0.261 1.00 0.00 ATOM 247 C VAL 40 -4.805 -0.312 0.654 1.00 0.00 ATOM 248 N VAL 41 -4.451 -0.661 1.878 1.00 0.00 ATOM 249 CA VAL 41 -4.358 -2.048 2.283 1.00 0.00 ATOM 250 CB VAL 41 -3.443 -2.240 3.512 1.00 0.00 ATOM 251 CG1 VAL 41 -3.422 -3.698 3.922 1.00 0.00 ATOM 252 CG2 VAL 41 -2.030 -1.747 3.233 1.00 0.00 ATOM 253 O VAL 41 -6.391 -2.105 3.564 1.00 0.00 ATOM 254 C VAL 41 -5.746 -2.574 2.620 1.00 0.00 ATOM 255 N ARG 42 -6.207 -3.520 1.829 1.00 0.00 ATOM 256 CA ARG 42 -7.496 -4.148 2.046 1.00 0.00 ATOM 257 CB ARG 42 -8.278 -4.199 0.735 1.00 0.00 ATOM 258 CG ARG 42 -8.705 -2.836 0.221 1.00 0.00 ATOM 259 CD ARG 42 -9.085 -2.903 -1.246 1.00 0.00 ATOM 260 NE ARG 42 -10.231 -2.054 -1.561 1.00 0.00 ATOM 261 CZ ARG 42 -10.252 -1.172 -2.558 1.00 0.00 ATOM 262 NH1 ARG 42 -9.152 -0.918 -3.252 1.00 0.00 ATOM 263 NH2 ARG 42 -11.374 -0.529 -2.843 1.00 0.00 ATOM 264 O ARG 42 -6.184 -6.047 2.687 1.00 0.00 ATOM 265 C ARG 42 -7.310 -5.552 2.597 1.00 0.00 ATOM 266 N ASP 43 -8.410 -6.183 2.974 1.00 0.00 ATOM 267 CA ASP 43 -8.372 -7.553 3.472 1.00 0.00 ATOM 268 CB ASP 43 -9.387 -7.756 4.606 1.00 0.00 ATOM 269 CG ASP 43 -10.783 -8.059 4.093 1.00 0.00 ATOM 270 OD1 ASP 43 -11.394 -7.177 3.469 1.00 0.00 ATOM 271 OD2 ASP 43 -11.252 -9.204 4.281 1.00 0.00 ATOM 272 O ASP 43 -8.722 -8.138 1.169 1.00 0.00 ATOM 273 C ASP 43 -8.674 -8.527 2.338 1.00 0.00 ATOM 274 N THR 44 -8.917 -9.783 2.701 1.00 0.00 ATOM 275 CA THR 44 -9.200 -10.833 1.734 1.00 0.00 ATOM 276 CB THR 44 -9.373 -12.193 2.440 1.00 0.00 ATOM 277 CG2 THR 44 -8.028 -12.778 2.839 1.00 0.00 ATOM 278 OG1 THR 44 -10.192 -12.039 3.611 1.00 0.00 ATOM 279 O THR 44 -10.591 -10.968 -0.221 1.00 0.00 ATOM 280 C THR 44 -10.454 -10.523 0.919 1.00 0.00 ATOM 281 N GLU 45 -11.359 -9.750 1.504 1.00 0.00 ATOM 282 CA GLU 45 -12.595 -9.392 0.838 1.00 0.00 ATOM 283 CB GLU 45 -13.723 -9.267 1.861 1.00 0.00 ATOM 284 CG GLU 45 -15.071 -8.940 1.242 1.00 0.00 ATOM 285 CD GLU 45 -16.210 -9.039 2.231 1.00 0.00 ATOM 286 OE1 GLU 45 -16.554 -8.017 2.861 1.00 0.00 ATOM 287 OE2 GLU 45 -16.772 -10.144 2.376 1.00 0.00 ATOM 288 O GLU 45 -13.097 -7.848 -0.928 1.00 0.00 ATOM 289 C GLU 45 -12.426 -8.086 0.076 1.00 0.00 ATOM 290 N GLY 46 -11.516 -7.249 0.548 1.00 0.00 ATOM 291 CA GLY 46 -11.297 -5.969 -0.086 1.00 0.00 ATOM 292 O GLY 46 -12.029 -3.714 0.217 1.00 0.00 ATOM 293 C GLY 46 -11.809 -4.806 0.743 1.00 0.00 ATOM 294 N ARG 47 -11.999 -5.031 2.035 1.00 0.00 ATOM 295 CA ARG 47 -12.406 -3.972 2.936 1.00 0.00 ATOM 296 CB ARG 47 -13.009 -4.560 4.206 1.00 0.00 ATOM 297 CG ARG 47 -14.248 -5.408 3.975 1.00 0.00 ATOM 298 CD ARG 47 -14.819 -5.904 5.292 1.00 0.00 ATOM 299 NE ARG 47 -15.961 -6.794 5.105 1.00 0.00 ATOM 300 CZ ARG 47 -16.939 -6.940 5.995 1.00 0.00 ATOM 301 NH1 ARG 47 -16.969 -6.178 7.083 1.00 0.00 ATOM 302 NH2 ARG 47 -17.899 -7.829 5.787 1.00 0.00 ATOM 303 O ARG 47 -10.092 -3.609 3.427 1.00 0.00 ATOM 304 C ARG 47 -11.207 -3.105 3.296 1.00 0.00 ATOM 305 N MET 48 -11.436 -1.808 3.442 1.00 0.00 ATOM 306 CA MET 48 -10.369 -0.877 3.800 1.00 0.00 ATOM 307 CB MET 48 -10.856 0.573 3.745 1.00 0.00 ATOM 308 CG MET 48 -11.679 0.917 2.514 1.00 0.00 ATOM 309 SD MET 48 -10.755 0.740 0.980 1.00 0.00 ATOM 310 CE MET 48 -11.965 1.323 -0.203 1.00 0.00 ATOM 311 O MET 48 -10.608 -1.004 6.180 1.00 0.00 ATOM 312 C MET 48 -9.868 -1.166 5.210 1.00 0.00 ATOM 313 N VAL 49 -8.624 -1.598 5.326 1.00 0.00 ATOM 314 CA VAL 49 -8.041 -1.860 6.632 1.00 0.00 ATOM 315 CB VAL 49 -7.282 -3.204 6.661 1.00 0.00 ATOM 316 CG1 VAL 49 -6.767 -3.499 8.063 1.00 0.00 ATOM 317 CG2 VAL 49 -8.173 -4.337 6.167 1.00 0.00 ATOM 318 O VAL 49 -7.016 -0.362 8.201 1.00 0.00 ATOM 319 C VAL 49 -7.094 -0.733 7.031 1.00 0.00 ATOM 320 N TRP 50 -6.400 -0.173 6.047 1.00 0.00 ATOM 321 CA TRP 50 -5.382 0.839 6.308 1.00 0.00 ATOM 322 CB TRP 50 -4.213 0.208 7.078 1.00 0.00 ATOM 323 CG TRP 50 -3.057 1.136 7.305 1.00 0.00 ATOM 324 CD1 TRP 50 -1.893 1.182 6.591 1.00 0.00 ATOM 325 CD2 TRP 50 -2.949 2.145 8.313 1.00 0.00 ATOM 326 CE2 TRP 50 -1.697 2.766 8.149 1.00 0.00 ATOM 327 CE3 TRP 50 -3.792 2.585 9.337 1.00 0.00 ATOM 328 NE1 TRP 50 -1.071 2.161 7.092 1.00 0.00 ATOM 329 CZ2 TRP 50 -1.268 3.805 8.971 1.00 0.00 ATOM 330 CZ3 TRP 50 -3.365 3.616 10.152 1.00 0.00 ATOM 331 CH2 TRP 50 -2.113 4.215 9.964 1.00 0.00 ATOM 332 O TRP 50 -4.439 0.736 4.112 1.00 0.00 ATOM 333 C TRP 50 -4.874 1.450 5.007 1.00 0.00 ATOM 334 N ARG 51 -4.932 2.767 4.902 1.00 0.00 ATOM 335 CA ARG 51 -4.385 3.456 3.743 1.00 0.00 ATOM 336 CB ARG 51 -5.488 4.186 2.961 1.00 0.00 ATOM 337 CG ARG 51 -6.263 5.210 3.776 1.00 0.00 ATOM 338 CD ARG 51 -7.258 5.976 2.916 1.00 0.00 ATOM 339 NE ARG 51 -8.332 5.124 2.410 1.00 0.00 ATOM 340 CZ ARG 51 -8.788 5.158 1.154 1.00 0.00 ATOM 341 NH1 ARG 51 -8.237 5.970 0.258 1.00 0.00 ATOM 342 NH2 ARG 51 -9.798 4.375 0.801 1.00 0.00 ATOM 343 O ARG 51 -3.506 5.280 5.039 1.00 0.00 ATOM 344 C ARG 51 -3.291 4.429 4.175 1.00 0.00 ATOM 345 N ALA 52 -2.113 4.289 3.586 1.00 0.00 ATOM 346 CA ALA 52 -0.980 5.136 3.934 1.00 0.00 ATOM 347 CB ALA 52 0.091 4.329 4.655 1.00 0.00 ATOM 348 O ALA 52 -0.380 5.197 1.615 1.00 0.00 ATOM 349 C ALA 52 -0.408 5.801 2.691 1.00 0.00 ATOM 350 N TRP 53 0.030 7.046 2.839 1.00 0.00 ATOM 351 CA TRP 53 0.552 7.813 1.721 1.00 0.00 ATOM 352 CB TRP 53 0.668 9.290 2.081 1.00 0.00 ATOM 353 CG TRP 53 -0.622 9.995 2.180 1.00 0.00 ATOM 354 CD1 TRP 53 -1.231 10.324 3.322 1.00 0.00 ATOM 355 CD2 TRP 53 -1.443 10.486 1.113 1.00 0.00 ATOM 356 CE2 TRP 53 -2.556 11.097 1.708 1.00 0.00 ATOM 357 CE3 TRP 53 -1.350 10.467 -0.281 1.00 0.00 ATOM 358 NE1 TRP 53 -2.401 10.981 3.063 1.00 0.00 ATOM 359 CZ2 TRP 53 -3.574 11.686 0.963 1.00 0.00 ATOM 360 CZ3 TRP 53 -2.359 11.052 -1.024 1.00 0.00 ATOM 361 CH2 TRP 53 -3.458 11.655 -0.400 1.00 0.00 ATOM 362 O TRP 53 2.440 6.331 1.774 1.00 0.00 ATOM 363 C TRP 53 1.911 7.319 1.276 1.00 0.00 ATOM 364 N ASN 54 2.469 8.064 0.348 1.00 0.00 ATOM 365 CA ASN 54 3.743 7.726 -0.270 1.00 0.00 ATOM 366 CB ASN 54 3.670 7.942 -1.787 1.00 0.00 ATOM 367 CG ASN 54 5.028 7.843 -2.454 1.00 0.00 ATOM 368 ND2 ASN 54 5.434 6.632 -2.786 1.00 0.00 ATOM 369 OD1 ASN 54 5.707 8.847 -2.659 1.00 0.00 ATOM 370 O ASN 54 5.939 8.053 0.638 1.00 0.00 ATOM 371 C ASN 54 4.869 8.564 0.316 1.00 0.00 ATOM 372 N PHE 55 4.598 9.849 0.483 1.00 0.00 ATOM 373 CA PHE 55 5.608 10.809 0.911 1.00 0.00 ATOM 374 CB PHE 55 5.236 12.204 0.398 1.00 0.00 ATOM 375 CG PHE 55 3.778 12.530 0.566 1.00 0.00 ATOM 376 CD1 PHE 55 2.893 12.351 -0.487 1.00 0.00 ATOM 377 CD2 PHE 55 3.291 13.005 1.772 1.00 0.00 ATOM 378 CE1 PHE 55 1.552 12.640 -0.338 1.00 0.00 ATOM 379 CE2 PHE 55 1.951 13.297 1.924 1.00 0.00 ATOM 380 CZ PHE 55 1.081 13.115 0.869 1.00 0.00 ATOM 381 O PHE 55 6.444 11.700 2.979 1.00 0.00 ATOM 382 C PHE 55 5.773 10.825 2.429 1.00 0.00 ATOM 383 N GLU 56 5.171 9.854 3.099 1.00 0.00 ATOM 384 CA GLU 56 5.280 9.750 4.546 1.00 0.00 ATOM 385 CB GLU 56 4.169 8.865 5.114 1.00 0.00 ATOM 386 CG GLU 56 2.777 9.438 4.905 1.00 0.00 ATOM 387 CD GLU 56 2.596 10.792 5.560 1.00 0.00 ATOM 388 OE1 GLU 56 2.900 11.817 4.919 1.00 0.00 ATOM 389 OE2 GLU 56 2.142 10.840 6.724 1.00 0.00 ATOM 390 O GLU 56 7.091 8.188 4.385 1.00 0.00 ATOM 391 C GLU 56 6.647 9.202 4.932 1.00 0.00 ATOM 392 N PRO 57 7.323 9.872 5.887 1.00 0.00 ATOM 393 CA PRO 57 8.696 9.549 6.303 1.00 0.00 ATOM 394 CB PRO 57 8.889 10.336 7.610 1.00 0.00 ATOM 395 CG PRO 57 7.551 10.917 7.940 1.00 0.00 ATOM 396 CD PRO 57 6.800 11.015 6.646 1.00 0.00 ATOM 397 O PRO 57 9.985 7.533 6.236 1.00 0.00 ATOM 398 C PRO 57 8.919 8.060 6.543 1.00 0.00 ATOM 399 N ASP 58 7.917 7.390 7.092 1.00 0.00 ATOM 400 CA ASP 58 7.973 5.946 7.262 1.00 0.00 ATOM 401 CB ASP 58 8.410 5.561 8.681 1.00 0.00 ATOM 402 CG ASP 58 9.884 5.805 8.936 1.00 0.00 ATOM 403 OD1 ASP 58 10.710 4.949 8.542 1.00 0.00 ATOM 404 OD2 ASP 58 10.222 6.844 9.545 1.00 0.00 ATOM 405 O ASP 58 5.975 4.758 7.828 1.00 0.00 ATOM 406 C ASP 58 6.620 5.327 6.952 1.00 0.00 ATOM 407 N ALA 59 6.176 5.462 5.705 1.00 0.00 ATOM 408 CA ALA 59 4.912 4.865 5.281 1.00 0.00 ATOM 409 CB ALA 59 4.600 5.257 3.848 1.00 0.00 ATOM 410 O ALA 59 3.989 2.704 5.828 1.00 0.00 ATOM 411 C ALA 59 4.964 3.348 5.417 1.00 0.00 ATOM 412 N GLY 60 6.124 2.787 5.096 1.00 0.00 ATOM 413 CA GLY 60 6.313 1.355 5.165 1.00 0.00 ATOM 414 O GLY 60 5.846 -0.365 6.731 1.00 0.00 ATOM 415 C GLY 60 6.160 0.803 6.564 1.00 0.00 ATOM 416 N GLU 61 6.363 1.647 7.564 1.00 0.00 ATOM 417 CA GLU 61 6.281 1.226 8.957 1.00 0.00 ATOM 418 CB GLU 61 6.561 2.431 9.859 1.00 0.00 ATOM 419 CG GLU 61 7.355 2.109 11.116 1.00 0.00 ATOM 420 CD GLU 61 6.584 1.262 12.102 1.00 0.00 ATOM 421 OE1 GLU 61 7.063 0.169 12.457 1.00 0.00 ATOM 422 OE2 GLU 61 5.494 1.689 12.533 1.00 0.00 ATOM 423 O GLU 61 4.771 -0.492 9.740 1.00 0.00 ATOM 424 C GLU 61 4.896 0.638 9.252 1.00 0.00 ATOM 425 N GLY 62 3.856 1.392 8.905 1.00 0.00 ATOM 426 CA GLY 62 2.499 0.934 9.138 1.00 0.00 ATOM 427 O GLY 62 1.451 -1.149 8.598 1.00 0.00 ATOM 428 C GLY 62 2.114 -0.187 8.198 1.00 0.00 ATOM 429 N LEU 63 2.547 -0.067 6.949 1.00 0.00 ATOM 430 CA LEU 63 2.261 -1.080 5.939 1.00 0.00 ATOM 431 CB LEU 63 2.795 -0.623 4.579 1.00 0.00 ATOM 432 CG LEU 63 2.216 0.700 4.071 1.00 0.00 ATOM 433 CD1 LEU 63 2.918 1.137 2.799 1.00 0.00 ATOM 434 CD2 LEU 63 0.720 0.577 3.831 1.00 0.00 ATOM 435 O LEU 63 2.200 -3.456 6.270 1.00 0.00 ATOM 436 C LEU 63 2.870 -2.426 6.327 1.00 0.00 ATOM 437 N ASN 64 4.130 -2.408 6.750 1.00 0.00 ATOM 438 CA ASN 64 4.829 -3.633 7.136 1.00 0.00 ATOM 439 CB ASN 64 6.315 -3.365 7.397 1.00 0.00 ATOM 440 CG ASN 64 7.102 -3.079 6.128 1.00 0.00 ATOM 441 ND2 ASN 64 8.177 -2.316 6.255 1.00 0.00 ATOM 442 OD1 ASN 64 6.750 -3.542 5.044 1.00 0.00 ATOM 443 O ASN 64 4.245 -5.475 8.546 1.00 0.00 ATOM 444 C ASN 64 4.199 -4.258 8.370 1.00 0.00 ATOM 445 N ARG 65 3.616 -3.426 9.226 1.00 0.00 ATOM 446 CA ARG 65 2.915 -3.923 10.405 1.00 0.00 ATOM 447 CB ARG 65 2.533 -2.774 11.336 1.00 0.00 ATOM 448 CG ARG 65 1.734 -3.205 12.560 1.00 0.00 ATOM 449 CD ARG 65 1.868 -2.191 13.681 1.00 0.00 ATOM 450 NE ARG 65 3.251 -2.089 14.133 1.00 0.00 ATOM 451 CZ ARG 65 4.088 -1.132 13.741 1.00 0.00 ATOM 452 NH1 ARG 65 3.635 -0.091 13.051 1.00 0.00 ATOM 453 NH2 ARG 65 5.370 -1.200 14.070 1.00 0.00 ATOM 454 O ARG 65 1.317 -5.676 10.690 1.00 0.00 ATOM 455 C ARG 65 1.681 -4.718 10.011 1.00 0.00 ATOM 456 N TYR 66 1.028 -4.327 8.925 1.00 0.00 ATOM 457 CA TYR 66 -0.060 -5.136 8.401 1.00 0.00 ATOM 458 CB TYR 66 -0.911 -4.357 7.394 1.00 0.00 ATOM 459 CG TYR 66 -2.053 -5.179 6.823 1.00 0.00 ATOM 460 CD1 TYR 66 -3.321 -5.124 7.384 1.00 0.00 ATOM 461 CD2 TYR 66 -1.855 -6.022 5.733 1.00 0.00 ATOM 462 CE1 TYR 66 -4.360 -5.885 6.878 1.00 0.00 ATOM 463 CE2 TYR 66 -2.890 -6.783 5.219 1.00 0.00 ATOM 464 CZ TYR 66 -4.140 -6.711 5.796 1.00 0.00 ATOM 465 OH TYR 66 -5.174 -7.470 5.292 1.00 0.00 ATOM 466 O TYR 66 0.010 -7.493 7.966 1.00 0.00 ATOM 467 C TYR 66 0.502 -6.388 7.740 1.00 0.00 ATOM 468 N ILE 67 1.531 -6.198 6.917 1.00 0.00 ATOM 469 CA ILE 67 2.145 -7.297 6.183 1.00 0.00 ATOM 470 CB ILE 67 3.347 -6.818 5.338 1.00 0.00 ATOM 471 CG1 ILE 67 2.910 -5.738 4.344 1.00 0.00 ATOM 472 CG2 ILE 67 3.978 -7.993 4.599 1.00 0.00 ATOM 473 CD1 ILE 67 4.062 -5.101 3.596 1.00 0.00 ATOM 474 O ILE 67 2.218 -9.564 6.946 1.00 0.00 ATOM 475 C ILE 67 2.600 -8.410 7.126 1.00 0.00 ATOM 476 N ARG 68 3.434 -8.061 8.114 1.00 0.00 ATOM 477 CA ARG 68 3.904 -9.022 9.120 1.00 0.00 ATOM 478 CB ARG 68 2.751 -9.484 9.988 1.00 0.00 ATOM 479 CG ARG 68 2.404 -8.531 11.110 1.00 0.00 ATOM 480 CD ARG 68 3.551 -8.377 12.098 1.00 0.00 ATOM 481 NE ARG 68 3.961 -9.659 12.668 1.00 0.00 ATOM 482 CZ ARG 68 3.628 -10.077 13.887 1.00 0.00 ATOM 483 NH1 ARG 68 2.850 -9.329 14.664 1.00 0.00 ATOM 484 NH2 ARG 68 4.070 -11.252 14.317 1.00 0.00 ATOM 485 O ARG 68 4.493 -11.334 9.014 1.00 0.00 ATOM 486 C ARG 68 4.553 -10.233 8.474 1.00 0.00 ATOM 487 N THR 69 5.101 -9.999 7.288 1.00 0.00 ATOM 488 CA THR 69 5.856 -10.977 6.497 1.00 0.00 ATOM 489 CB THR 69 7.195 -11.418 7.170 1.00 0.00 ATOM 490 CG2 THR 69 6.984 -12.298 8.390 1.00 0.00 ATOM 491 OG1 THR 69 8.007 -12.129 6.228 1.00 0.00 ATOM 492 O THR 69 5.470 -13.220 5.690 1.00 0.00 ATOM 493 C THR 69 4.985 -12.174 6.130 1.00 0.00 ATOM 494 N SER 70 3.685 -11.980 6.263 1.00 0.00 ATOM 495 CA SER 70 2.712 -12.968 5.872 1.00 0.00 ATOM 496 CB SER 70 1.815 -13.285 7.063 1.00 0.00 ATOM 497 OG SER 70 1.347 -12.098 7.683 1.00 0.00 ATOM 498 O SER 70 2.002 -12.941 3.573 1.00 0.00 ATOM 499 C SER 70 1.900 -12.442 4.699 1.00 0.00 ATOM 500 N GLY 71 1.132 -11.400 4.968 1.00 0.00 ATOM 501 CA GLY 71 0.317 -10.777 3.951 1.00 0.00 ATOM 502 O GLY 71 -0.917 -12.830 3.857 1.00 0.00 ATOM 503 C GLY 71 -0.785 -11.681 3.435 1.00 0.00 ATOM 504 N ILE 72 -1.571 -11.164 2.506 1.00 0.00 ATOM 505 CA ILE 72 -2.679 -11.919 1.942 1.00 0.00 ATOM 506 CB ILE 72 -3.871 -10.977 1.639 1.00 0.00 ATOM 507 CG1 ILE 72 -4.231 -10.178 2.899 1.00 0.00 ATOM 508 CG2 ILE 72 -5.092 -11.740 1.144 1.00 0.00 ATOM 509 CD1 ILE 72 -4.484 -11.035 4.127 1.00 0.00 ATOM 510 O ILE 72 -3.007 -13.300 -0.013 1.00 0.00 ATOM 511 C ILE 72 -2.220 -12.672 0.689 1.00 0.00 ATOM 512 N ARG 73 -0.918 -12.604 0.428 1.00 0.00 ATOM 513 CA ARG 73 -0.312 -13.304 -0.702 1.00 0.00 ATOM 514 CB ARG 73 1.186 -13.015 -0.756 1.00 0.00 ATOM 515 CG ARG 73 1.926 -13.848 -1.785 1.00 0.00 ATOM 516 CD ARG 73 1.690 -13.329 -3.193 1.00 0.00 ATOM 517 NE ARG 73 2.184 -14.240 -4.221 1.00 0.00 ATOM 518 CZ ARG 73 1.945 -14.082 -5.523 1.00 0.00 ATOM 519 NH1 ARG 73 1.254 -13.031 -5.947 1.00 0.00 ATOM 520 NH2 ARG 73 2.398 -14.971 -6.397 1.00 0.00 ATOM 521 O ARG 73 -1.449 -15.371 -1.181 1.00 0.00 ATOM 522 C ARG 73 -0.521 -14.814 -0.595 1.00 0.00 ATOM 523 N THR 74 0.360 -15.466 0.153 1.00 0.00 ATOM 524 CA THR 74 0.286 -16.897 0.335 1.00 0.00 ATOM 525 CB THR 74 1.694 -17.505 0.495 1.00 0.00 ATOM 526 CG2 THR 74 1.645 -19.021 0.399 1.00 0.00 ATOM 527 OG1 THR 74 2.568 -16.990 -0.521 1.00 0.00 ATOM 528 O THR 74 -1.271 -18.182 1.619 1.00 0.00 ATOM 529 C THR 74 -0.540 -17.191 1.570 1.00 0.00 ATOM 530 N ASP 75 -0.422 -16.283 2.547 1.00 0.00 ATOM 531 CA ASP 75 -1.155 -16.366 3.822 1.00 0.00 ATOM 532 CB ASP 75 -2.663 -16.359 3.560 1.00 0.00 ATOM 533 CG ASP 75 -3.491 -16.567 4.817 1.00 0.00 ATOM 534 OD1 ASP 75 -3.723 -17.738 5.198 1.00 0.00 ATOM 535 OD2 ASP 75 -3.926 -15.572 5.423 1.00 0.00 ATOM 536 O ASP 75 -0.169 -17.474 5.725 1.00 0.00 ATOM 537 C ASP 75 -0.764 -17.596 4.653 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 T0358.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.545 # GDT_score = -29.545 # GDT_score(maxd=8.000,maxw=2.900)= -28.797 # GDT_score(maxd=8.000,maxw=3.200)= -27.376 # GDT_score(maxd=8.000,maxw=3.500)= -26.198 # GDT_score(maxd=10.000,maxw=3.800)= -28.672 # GDT_score(maxd=10.000,maxw=4.000)= -27.920 # GDT_score(maxd=10.000,maxw=4.200)= -27.194 # GDT_score(maxd=12.000,maxw=4.300)= -29.426 # GDT_score(maxd=12.000,maxw=4.500)= -28.669 # GDT_score(maxd=12.000,maxw=4.700)= -27.903 # GDT_score(maxd=14.000,maxw=5.200)= -28.061 # GDT_score(maxd=14.000,maxw=5.500)= -27.026 # command:# ReadConformPDB reading from PDB file T0358.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.879 # GDT_score = -33.712 # GDT_score(maxd=8.000,maxw=2.900)= -33.021 # GDT_score(maxd=8.000,maxw=3.200)= -31.669 # GDT_score(maxd=8.000,maxw=3.500)= -30.513 # GDT_score(maxd=10.000,maxw=3.800)= -32.363 # GDT_score(maxd=10.000,maxw=4.000)= -31.654 # GDT_score(maxd=10.000,maxw=4.200)= -31.012 # GDT_score(maxd=12.000,maxw=4.300)= -33.252 # GDT_score(maxd=12.000,maxw=4.500)= -32.583 # GDT_score(maxd=12.000,maxw=4.700)= -31.949 # GDT_score(maxd=14.000,maxw=5.200)= -32.696 # GDT_score(maxd=14.000,maxw=5.500)= -31.656 # command:# ReadConformPDB reading from PDB file T0358.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0358.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0358.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0358 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 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 7 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try17-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 T0358.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 52 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try22-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 T0358.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 7 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 7 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 5 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 5 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera2-2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera4-24.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera5-2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera5-24.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_357253187.pdb -s /var/tmp/to_scwrl_357253187.seq -o /var/tmp/from_scwrl_357253187.pdb > /var/tmp/scwrl_357253187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_357253187.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 81 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1314779565.pdb -s /var/tmp/to_scwrl_1314779565.seq -o /var/tmp/from_scwrl_1314779565.pdb > /var/tmp/scwrl_1314779565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1314779565.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 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_134054231.pdb -s /var/tmp/to_scwrl_134054231.seq -o /var/tmp/from_scwrl_134054231.pdb > /var/tmp/scwrl_134054231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134054231.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 81 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_914566041.pdb -s /var/tmp/to_scwrl_914566041.seq -o /var/tmp/from_scwrl_914566041.pdb > /var/tmp/scwrl_914566041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_914566041.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 50 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_576271996.pdb -s /var/tmp/to_scwrl_576271996.seq -o /var/tmp/from_scwrl_576271996.pdb > /var/tmp/scwrl_576271996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576271996.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 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1175306787.pdb -s /var/tmp/to_scwrl_1175306787.seq -o /var/tmp/from_scwrl_1175306787.pdb > /var/tmp/scwrl_1175306787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1175306787.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 T0358 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1815471131.pdb -s /var/tmp/to_scwrl_1815471131.seq -o /var/tmp/from_scwrl_1815471131.pdb > /var/tmp/scwrl_1815471131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1815471131.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 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_310764364.pdb -s /var/tmp/to_scwrl_310764364.seq -o /var/tmp/from_scwrl_310764364.pdb > /var/tmp/scwrl_310764364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310764364.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 T0358 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 79 ; scwrl -i /var/tmp/to_scwrl_1930971012.pdb -s /var/tmp/to_scwrl_1930971012.seq -o /var/tmp/from_scwrl_1930971012.pdb > /var/tmp/scwrl_1930971012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1930971012.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 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2043541539.pdb -s /var/tmp/to_scwrl_2043541539.seq -o /var/tmp/from_scwrl_2043541539.pdb > /var/tmp/scwrl_2043541539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2043541539.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 T0358 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 79 ; scwrl -i /var/tmp/to_scwrl_1426827973.pdb -s /var/tmp/to_scwrl_1426827973.seq -o /var/tmp/from_scwrl_1426827973.pdb > /var/tmp/scwrl_1426827973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1426827973.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 T0358 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1993275958.pdb -s /var/tmp/to_scwrl_1993275958.seq -o /var/tmp/from_scwrl_1993275958.pdb > /var/tmp/scwrl_1993275958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1993275958.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 T0358 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1349887535.pdb -s /var/tmp/to_scwrl_1349887535.seq -o /var/tmp/from_scwrl_1349887535.pdb > /var/tmp/scwrl_1349887535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349887535.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1666347925.pdb -s /var/tmp/to_scwrl_1666347925.seq -o /var/tmp/from_scwrl_1666347925.pdb > /var/tmp/scwrl_1666347925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666347925.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1018926507.pdb -s /var/tmp/to_scwrl_1018926507.seq -o /var/tmp/from_scwrl_1018926507.pdb > /var/tmp/scwrl_1018926507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018926507.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 36 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_546505360.pdb -s /var/tmp/to_scwrl_546505360.seq -o /var/tmp/from_scwrl_546505360.pdb > /var/tmp/scwrl_546505360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_546505360.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 38 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1146797919.pdb -s /var/tmp/to_scwrl_1146797919.seq -o /var/tmp/from_scwrl_1146797919.pdb > /var/tmp/scwrl_1146797919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1146797919.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 86 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1682218993.pdb -s /var/tmp/to_scwrl_1682218993.seq -o /var/tmp/from_scwrl_1682218993.pdb > /var/tmp/scwrl_1682218993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1682218993.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 83 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_734589209.pdb -s /var/tmp/to_scwrl_734589209.seq -o /var/tmp/from_scwrl_734589209.pdb > /var/tmp/scwrl_734589209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734589209.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 37 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1421179896.pdb -s /var/tmp/to_scwrl_1421179896.seq -o /var/tmp/from_scwrl_1421179896.pdb > /var/tmp/scwrl_1421179896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421179896.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 86 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_599108669.pdb -s /var/tmp/to_scwrl_599108669.seq -o /var/tmp/from_scwrl_599108669.pdb > /var/tmp/scwrl_599108669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_599108669.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 83 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1106860726.pdb -s /var/tmp/to_scwrl_1106860726.seq -o /var/tmp/from_scwrl_1106860726.pdb > /var/tmp/scwrl_1106860726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1106860726.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 76 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_478632118.pdb -s /var/tmp/to_scwrl_478632118.seq -o /var/tmp/from_scwrl_478632118.pdb > /var/tmp/scwrl_478632118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478632118.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 85 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1012998936.pdb -s /var/tmp/to_scwrl_1012998936.seq -o /var/tmp/from_scwrl_1012998936.pdb > /var/tmp/scwrl_1012998936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012998936.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 83 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_367842464.pdb -s /var/tmp/to_scwrl_367842464.seq -o /var/tmp/from_scwrl_367842464.pdb > /var/tmp/scwrl_367842464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_367842464.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 77 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1913825895.pdb -s /var/tmp/to_scwrl_1913825895.seq -o /var/tmp/from_scwrl_1913825895.pdb > /var/tmp/scwrl_1913825895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913825895.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 79 ; scwrl -i /var/tmp/to_scwrl_1669606182.pdb -s /var/tmp/to_scwrl_1669606182.seq -o /var/tmp/from_scwrl_1669606182.pdb > /var/tmp/scwrl_1669606182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669606182.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 80 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_128224120.pdb -s /var/tmp/to_scwrl_128224120.seq -o /var/tmp/from_scwrl_128224120.pdb > /var/tmp/scwrl_128224120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_128224120.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1793171492.pdb -s /var/tmp/to_scwrl_1793171492.seq -o /var/tmp/from_scwrl_1793171492.pdb > /var/tmp/scwrl_1793171492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793171492.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 T0358 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1399678490.pdb -s /var/tmp/to_scwrl_1399678490.seq -o /var/tmp/from_scwrl_1399678490.pdb > /var/tmp/scwrl_1399678490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399678490.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 86 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1310334605.pdb -s /var/tmp/to_scwrl_1310334605.seq -o /var/tmp/from_scwrl_1310334605.pdb > /var/tmp/scwrl_1310334605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1310334605.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2941032.pdb -s /var/tmp/to_scwrl_2941032.seq -o /var/tmp/from_scwrl_2941032.pdb > /var/tmp/scwrl_2941032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2941032.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_566974409.pdb -s /var/tmp/to_scwrl_566974409.seq -o /var/tmp/from_scwrl_566974409.pdb > /var/tmp/scwrl_566974409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_566974409.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 T0358 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1444388836.pdb -s /var/tmp/to_scwrl_1444388836.seq -o /var/tmp/from_scwrl_1444388836.pdb > /var/tmp/scwrl_1444388836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1444388836.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_917507073.pdb -s /var/tmp/to_scwrl_917507073.seq -o /var/tmp/from_scwrl_917507073.pdb > /var/tmp/scwrl_917507073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917507073.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1143246404.pdb -s /var/tmp/to_scwrl_1143246404.seq -o /var/tmp/from_scwrl_1143246404.pdb > /var/tmp/scwrl_1143246404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1143246404.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 T0358 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_472211977.pdb -s /var/tmp/to_scwrl_472211977.seq -o /var/tmp/from_scwrl_472211977.pdb > /var/tmp/scwrl_472211977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_472211977.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 T0358 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_585494557.pdb -s /var/tmp/to_scwrl_585494557.seq -o /var/tmp/from_scwrl_585494557.pdb > /var/tmp/scwrl_585494557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585494557.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 T0358 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1454010769.pdb -s /var/tmp/to_scwrl_1454010769.seq -o /var/tmp/from_scwrl_1454010769.pdb > /var/tmp/scwrl_1454010769.log Error: can't open any of /var/tmp/from_scwrl_1454010769.pdb or /var/tmp/from_scwrl_1454010769_b.pdb or /var/tmp/from_scwrl_1454010769_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 T0358 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_255699343.pdb -s /var/tmp/to_scwrl_255699343.seq -o /var/tmp/from_scwrl_255699343.pdb > /var/tmp/scwrl_255699343.log Error: can't open any of /var/tmp/from_scwrl_255699343.pdb or /var/tmp/from_scwrl_255699343_b.pdb or /var/tmp/from_scwrl_255699343_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 T0358 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_481552449.pdb -s /var/tmp/to_scwrl_481552449.seq -o /var/tmp/from_scwrl_481552449.pdb > /var/tmp/scwrl_481552449.log Error: can't open any of /var/tmp/from_scwrl_481552449.pdb or /var/tmp/from_scwrl_481552449_b.pdb or /var/tmp/from_scwrl_481552449_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 T0358 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_733355096.pdb -s /var/tmp/to_scwrl_733355096.seq -o /var/tmp/from_scwrl_733355096.pdb > /var/tmp/scwrl_733355096.log Error: can't open any of /var/tmp/from_scwrl_733355096.pdb or /var/tmp/from_scwrl_733355096_b.pdb or /var/tmp/from_scwrl_733355096_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 T0358 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_101491654.pdb -s /var/tmp/to_scwrl_101491654.seq -o /var/tmp/from_scwrl_101491654.pdb > /var/tmp/scwrl_101491654.log Error: can't open any of /var/tmp/from_scwrl_101491654.pdb or /var/tmp/from_scwrl_101491654_b.pdb or /var/tmp/from_scwrl_101491654_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1831439984.pdb -s /var/tmp/to_scwrl_1831439984.seq -o /var/tmp/from_scwrl_1831439984.pdb > /var/tmp/scwrl_1831439984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1831439984.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_252219374.pdb -s /var/tmp/to_scwrl_252219374.seq -o /var/tmp/from_scwrl_252219374.pdb > /var/tmp/scwrl_252219374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252219374.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 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1120418160.pdb -s /var/tmp/to_scwrl_1120418160.seq -o /var/tmp/from_scwrl_1120418160.pdb > /var/tmp/scwrl_1120418160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120418160.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 83 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_230461698.pdb -s /var/tmp/to_scwrl_230461698.seq -o /var/tmp/from_scwrl_230461698.pdb > /var/tmp/scwrl_230461698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230461698.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 81 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1399017293.pdb -s /var/tmp/to_scwrl_1399017293.seq -o /var/tmp/from_scwrl_1399017293.pdb > /var/tmp/scwrl_1399017293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399017293.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 85 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_655153508.pdb -s /var/tmp/to_scwrl_655153508.seq -o /var/tmp/from_scwrl_655153508.pdb > /var/tmp/scwrl_655153508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_655153508.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_965050907.pdb -s /var/tmp/to_scwrl_965050907.seq -o /var/tmp/from_scwrl_965050907.pdb > /var/tmp/scwrl_965050907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_965050907.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_672713543.pdb -s /var/tmp/to_scwrl_672713543.seq -o /var/tmp/from_scwrl_672713543.pdb > /var/tmp/scwrl_672713543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_672713543.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 76 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1254262176.pdb -s /var/tmp/to_scwrl_1254262176.seq -o /var/tmp/from_scwrl_1254262176.pdb > /var/tmp/scwrl_1254262176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1254262176.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2071911633.pdb -s /var/tmp/to_scwrl_2071911633.seq -o /var/tmp/from_scwrl_2071911633.pdb > /var/tmp/scwrl_2071911633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2071911633.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 79 ; scwrl -i /var/tmp/to_scwrl_1151345660.pdb -s /var/tmp/to_scwrl_1151345660.seq -o /var/tmp/from_scwrl_1151345660.pdb > /var/tmp/scwrl_1151345660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1151345660.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 49 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_119777466.pdb -s /var/tmp/to_scwrl_119777466.seq -o /var/tmp/from_scwrl_119777466.pdb > /var/tmp/scwrl_119777466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_119777466.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_292270450.pdb -s /var/tmp/to_scwrl_292270450.seq -o /var/tmp/from_scwrl_292270450.pdb > /var/tmp/scwrl_292270450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_292270450.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 55 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_917687910.pdb -s /var/tmp/to_scwrl_917687910.seq -o /var/tmp/from_scwrl_917687910.pdb > /var/tmp/scwrl_917687910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917687910.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 36 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1789383648.pdb -s /var/tmp/to_scwrl_1789383648.seq -o /var/tmp/from_scwrl_1789383648.pdb > /var/tmp/scwrl_1789383648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789383648.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_420494570.pdb -s /var/tmp/to_scwrl_420494570.seq -o /var/tmp/from_scwrl_420494570.pdb > /var/tmp/scwrl_420494570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420494570.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_563375755.pdb -s /var/tmp/to_scwrl_563375755.seq -o /var/tmp/from_scwrl_563375755.pdb > /var/tmp/scwrl_563375755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_563375755.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1041578492.pdb -s /var/tmp/to_scwrl_1041578492.seq -o /var/tmp/from_scwrl_1041578492.pdb > /var/tmp/scwrl_1041578492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1041578492.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 T0358 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1730829175.pdb -s /var/tmp/to_scwrl_1730829175.seq -o /var/tmp/from_scwrl_1730829175.pdb > /var/tmp/scwrl_1730829175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1730829175.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 T0358 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_566316787.pdb -s /var/tmp/to_scwrl_566316787.seq -o /var/tmp/from_scwrl_566316787.pdb > /var/tmp/scwrl_566316787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_566316787.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1608552900.pdb -s /var/tmp/to_scwrl_1608552900.seq -o /var/tmp/from_scwrl_1608552900.pdb > /var/tmp/scwrl_1608552900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608552900.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 T0358 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1027734365.pdb -s /var/tmp/to_scwrl_1027734365.seq -o /var/tmp/from_scwrl_1027734365.pdb > /var/tmp/scwrl_1027734365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027734365.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 T0358 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1483823859.pdb -s /var/tmp/to_scwrl_1483823859.seq -o /var/tmp/from_scwrl_1483823859.pdb > /var/tmp/scwrl_1483823859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1483823859.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 T0358 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_604315659.pdb -s /var/tmp/to_scwrl_604315659.seq -o /var/tmp/from_scwrl_604315659.pdb > /var/tmp/scwrl_604315659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_604315659.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 T0358 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1499946342.pdb -s /var/tmp/to_scwrl_1499946342.seq -o /var/tmp/from_scwrl_1499946342.pdb > /var/tmp/scwrl_1499946342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499946342.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 74 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2069318417.pdb -s /var/tmp/to_scwrl_2069318417.seq -o /var/tmp/from_scwrl_2069318417.pdb > /var/tmp/scwrl_2069318417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069318417.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 86 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2058326428.pdb -s /var/tmp/to_scwrl_2058326428.seq -o /var/tmp/from_scwrl_2058326428.pdb > /var/tmp/scwrl_2058326428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2058326428.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 51 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1755645685.pdb -s /var/tmp/to_scwrl_1755645685.seq -o /var/tmp/from_scwrl_1755645685.pdb > /var/tmp/scwrl_1755645685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755645685.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 86 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_403387219.pdb -s /var/tmp/to_scwrl_403387219.seq -o /var/tmp/from_scwrl_403387219.pdb > /var/tmp/scwrl_403387219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403387219.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 85 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_644197877.pdb -s /var/tmp/to_scwrl_644197877.seq -o /var/tmp/from_scwrl_644197877.pdb > /var/tmp/scwrl_644197877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_644197877.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 55 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1857137339.pdb -s /var/tmp/to_scwrl_1857137339.seq -o /var/tmp/from_scwrl_1857137339.pdb > /var/tmp/scwrl_1857137339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1857137339.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 66 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_87343557.pdb -s /var/tmp/to_scwrl_87343557.seq -o /var/tmp/from_scwrl_87343557.pdb > /var/tmp/scwrl_87343557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_87343557.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 46 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_896417252.pdb -s /var/tmp/to_scwrl_896417252.seq -o /var/tmp/from_scwrl_896417252.pdb > /var/tmp/scwrl_896417252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_896417252.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_830071854.pdb -s /var/tmp/to_scwrl_830071854.seq -o /var/tmp/from_scwrl_830071854.pdb > /var/tmp/scwrl_830071854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830071854.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 54 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_317805255.pdb -s /var/tmp/to_scwrl_317805255.seq -o /var/tmp/from_scwrl_317805255.pdb > /var/tmp/scwrl_317805255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317805255.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_147950898.pdb -s /var/tmp/to_scwrl_147950898.seq -o /var/tmp/from_scwrl_147950898.pdb > /var/tmp/scwrl_147950898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147950898.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1485225361.pdb -s /var/tmp/to_scwrl_1485225361.seq -o /var/tmp/from_scwrl_1485225361.pdb > /var/tmp/scwrl_1485225361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485225361.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 T0358 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1282856161.pdb -s /var/tmp/to_scwrl_1282856161.seq -o /var/tmp/from_scwrl_1282856161.pdb > /var/tmp/scwrl_1282856161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282856161.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 T0358 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_820664442.pdb -s /var/tmp/to_scwrl_820664442.seq -o /var/tmp/from_scwrl_820664442.pdb > /var/tmp/scwrl_820664442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_820664442.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 T0358 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_592003891.pdb -s /var/tmp/to_scwrl_592003891.seq -o /var/tmp/from_scwrl_592003891.pdb > /var/tmp/scwrl_592003891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592003891.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1207284147.pdb -s /var/tmp/to_scwrl_1207284147.seq -o /var/tmp/from_scwrl_1207284147.pdb > /var/tmp/scwrl_1207284147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1207284147.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 74 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1972010102.pdb -s /var/tmp/to_scwrl_1972010102.seq -o /var/tmp/from_scwrl_1972010102.pdb > /var/tmp/scwrl_1972010102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1972010102.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 85 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_711781357.pdb -s /var/tmp/to_scwrl_711781357.seq -o /var/tmp/from_scwrl_711781357.pdb > /var/tmp/scwrl_711781357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711781357.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 85 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1499554597.pdb -s /var/tmp/to_scwrl_1499554597.seq -o /var/tmp/from_scwrl_1499554597.pdb > /var/tmp/scwrl_1499554597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499554597.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 81 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_742214365.pdb -s /var/tmp/to_scwrl_742214365.seq -o /var/tmp/from_scwrl_742214365.pdb > /var/tmp/scwrl_742214365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_742214365.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_353681359.pdb -s /var/tmp/to_scwrl_353681359.seq -o /var/tmp/from_scwrl_353681359.pdb > /var/tmp/scwrl_353681359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353681359.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 79 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1920049168.pdb -s /var/tmp/to_scwrl_1920049168.seq -o /var/tmp/from_scwrl_1920049168.pdb > /var/tmp/scwrl_1920049168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1920049168.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1305590119.pdb -s /var/tmp/to_scwrl_1305590119.seq -o /var/tmp/from_scwrl_1305590119.pdb > /var/tmp/scwrl_1305590119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1305590119.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 T0358 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1395259850.pdb -s /var/tmp/to_scwrl_1395259850.seq -o /var/tmp/from_scwrl_1395259850.pdb > /var/tmp/scwrl_1395259850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1395259850.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 T0358 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1503394696.pdb -s /var/tmp/to_scwrl_1503394696.seq -o /var/tmp/from_scwrl_1503394696.pdb > /var/tmp/scwrl_1503394696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1503394696.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 66 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1871906906.pdb -s /var/tmp/to_scwrl_1871906906.seq -o /var/tmp/from_scwrl_1871906906.pdb > /var/tmp/scwrl_1871906906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1871906906.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 66 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_856329105.pdb -s /var/tmp/to_scwrl_856329105.seq -o /var/tmp/from_scwrl_856329105.pdb > /var/tmp/scwrl_856329105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_856329105.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_383645415.pdb -s /var/tmp/to_scwrl_383645415.seq -o /var/tmp/from_scwrl_383645415.pdb > /var/tmp/scwrl_383645415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383645415.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 T0358 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1208247119.pdb -s /var/tmp/to_scwrl_1208247119.seq -o /var/tmp/from_scwrl_1208247119.pdb > /var/tmp/scwrl_1208247119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1208247119.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 T0358 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1460644763.pdb -s /var/tmp/to_scwrl_1460644763.seq -o /var/tmp/from_scwrl_1460644763.pdb > /var/tmp/scwrl_1460644763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1460644763.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 T0358 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1883591757.pdb -s /var/tmp/to_scwrl_1883591757.seq -o /var/tmp/from_scwrl_1883591757.pdb > /var/tmp/scwrl_1883591757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1883591757.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 T0358 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1130081889.pdb -s /var/tmp/to_scwrl_1130081889.seq -o /var/tmp/from_scwrl_1130081889.pdb > /var/tmp/scwrl_1130081889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1130081889.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 T0358 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1371487544.pdb -s /var/tmp/to_scwrl_1371487544.seq -o /var/tmp/from_scwrl_1371487544.pdb > /var/tmp/scwrl_1371487544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371487544.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 T0358 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1491753795.pdb -s /var/tmp/to_scwrl_1491753795.seq -o /var/tmp/from_scwrl_1491753795.pdb > /var/tmp/scwrl_1491753795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1491753795.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 T0358 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1533469108.pdb -s /var/tmp/to_scwrl_1533469108.seq -o /var/tmp/from_scwrl_1533469108.pdb > /var/tmp/scwrl_1533469108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1533469108.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 T0358 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2015685421.pdb -s /var/tmp/to_scwrl_2015685421.seq -o /var/tmp/from_scwrl_2015685421.pdb > /var/tmp/scwrl_2015685421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2015685421.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 T0358 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1201407487.pdb -s /var/tmp/to_scwrl_1201407487.seq -o /var/tmp/from_scwrl_1201407487.pdb > /var/tmp/scwrl_1201407487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201407487.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 T0358 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1620812665.pdb -s /var/tmp/to_scwrl_1620812665.seq -o /var/tmp/from_scwrl_1620812665.pdb > /var/tmp/scwrl_1620812665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1620812665.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_764619026.pdb -s /var/tmp/to_scwrl_764619026.seq -o /var/tmp/from_scwrl_764619026.pdb > /var/tmp/scwrl_764619026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764619026.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2031479341.pdb -s /var/tmp/to_scwrl_2031479341.seq -o /var/tmp/from_scwrl_2031479341.pdb > /var/tmp/scwrl_2031479341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031479341.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 75 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1938617920.pdb -s /var/tmp/to_scwrl_1938617920.seq -o /var/tmp/from_scwrl_1938617920.pdb > /var/tmp/scwrl_1938617920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1938617920.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 78 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_912569925.pdb -s /var/tmp/to_scwrl_912569925.seq -o /var/tmp/from_scwrl_912569925.pdb > /var/tmp/scwrl_912569925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912569925.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 83 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1369221055.pdb -s /var/tmp/to_scwrl_1369221055.seq -o /var/tmp/from_scwrl_1369221055.pdb > /var/tmp/scwrl_1369221055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1369221055.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1073990434.pdb -s /var/tmp/to_scwrl_1073990434.seq -o /var/tmp/from_scwrl_1073990434.pdb > /var/tmp/scwrl_1073990434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1073990434.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 66 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1733234366.pdb -s /var/tmp/to_scwrl_1733234366.seq -o /var/tmp/from_scwrl_1733234366.pdb > /var/tmp/scwrl_1733234366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733234366.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 51 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1961224947.pdb -s /var/tmp/to_scwrl_1961224947.seq -o /var/tmp/from_scwrl_1961224947.pdb > /var/tmp/scwrl_1961224947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961224947.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 28 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_133790935.pdb -s /var/tmp/to_scwrl_133790935.seq -o /var/tmp/from_scwrl_133790935.pdb > /var/tmp/scwrl_133790935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_133790935.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 83 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1557760821.pdb -s /var/tmp/to_scwrl_1557760821.seq -o /var/tmp/from_scwrl_1557760821.pdb > /var/tmp/scwrl_1557760821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557760821.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 71 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_525522657.pdb -s /var/tmp/to_scwrl_525522657.seq -o /var/tmp/from_scwrl_525522657.pdb > /var/tmp/scwrl_525522657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_525522657.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 86 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1633345533.pdb -s /var/tmp/to_scwrl_1633345533.seq -o /var/tmp/from_scwrl_1633345533.pdb > /var/tmp/scwrl_1633345533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633345533.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 83 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_152491540.pdb -s /var/tmp/to_scwrl_152491540.seq -o /var/tmp/from_scwrl_152491540.pdb > /var/tmp/scwrl_152491540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_152491540.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 85 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_879204016.pdb -s /var/tmp/to_scwrl_879204016.seq -o /var/tmp/from_scwrl_879204016.pdb > /var/tmp/scwrl_879204016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_879204016.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 83 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1405911054.pdb -s /var/tmp/to_scwrl_1405911054.seq -o /var/tmp/from_scwrl_1405911054.pdb > /var/tmp/scwrl_1405911054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1405911054.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1458081659.pdb -s /var/tmp/to_scwrl_1458081659.seq -o /var/tmp/from_scwrl_1458081659.pdb > /var/tmp/scwrl_1458081659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1458081659.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_126980220.pdb -s /var/tmp/to_scwrl_126980220.seq -o /var/tmp/from_scwrl_126980220.pdb > /var/tmp/scwrl_126980220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_126980220.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 79 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_761822104.pdb -s /var/tmp/to_scwrl_761822104.seq -o /var/tmp/from_scwrl_761822104.pdb > /var/tmp/scwrl_761822104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761822104.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 86 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1182504919.pdb -s /var/tmp/to_scwrl_1182504919.seq -o /var/tmp/from_scwrl_1182504919.pdb > /var/tmp/scwrl_1182504919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1182504919.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 59 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_983309325.pdb -s /var/tmp/to_scwrl_983309325.seq -o /var/tmp/from_scwrl_983309325.pdb > /var/tmp/scwrl_983309325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_983309325.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 85 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1145467518.pdb -s /var/tmp/to_scwrl_1145467518.seq -o /var/tmp/from_scwrl_1145467518.pdb > /var/tmp/scwrl_1145467518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145467518.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 86 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_243268392.pdb -s /var/tmp/to_scwrl_243268392.seq -o /var/tmp/from_scwrl_243268392.pdb > /var/tmp/scwrl_243268392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_243268392.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 79 ; scwrl -i /var/tmp/to_scwrl_296470441.pdb -s /var/tmp/to_scwrl_296470441.seq -o /var/tmp/from_scwrl_296470441.pdb > /var/tmp/scwrl_296470441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296470441.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 79 ; scwrl -i /var/tmp/to_scwrl_881575629.pdb -s /var/tmp/to_scwrl_881575629.seq -o /var/tmp/from_scwrl_881575629.pdb > /var/tmp/scwrl_881575629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_881575629.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 79 ; scwrl -i /var/tmp/to_scwrl_1373350281.pdb -s /var/tmp/to_scwrl_1373350281.seq -o /var/tmp/from_scwrl_1373350281.pdb > /var/tmp/scwrl_1373350281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1373350281.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 79 ; scwrl -i /var/tmp/to_scwrl_1667957985.pdb -s /var/tmp/to_scwrl_1667957985.seq -o /var/tmp/from_scwrl_1667957985.pdb > /var/tmp/scwrl_1667957985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1667957985.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 79 ; scwrl -i /var/tmp/to_scwrl_225845777.pdb -s /var/tmp/to_scwrl_225845777.seq -o /var/tmp/from_scwrl_225845777.pdb > /var/tmp/scwrl_225845777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_225845777.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 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_759335743.pdb -s /var/tmp/to_scwrl_759335743.seq -o /var/tmp/from_scwrl_759335743.pdb > /var/tmp/scwrl_759335743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_759335743.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1536159759.pdb -s /var/tmp/to_scwrl_1536159759.seq -o /var/tmp/from_scwrl_1536159759.pdb > /var/tmp/scwrl_1536159759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1536159759.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1427253265.pdb -s /var/tmp/to_scwrl_1427253265.seq -o /var/tmp/from_scwrl_1427253265.pdb > /var/tmp/scwrl_1427253265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1427253265.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_232664762.pdb -s /var/tmp/to_scwrl_232664762.seq -o /var/tmp/from_scwrl_232664762.pdb > /var/tmp/scwrl_232664762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_232664762.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_153295139.pdb -s /var/tmp/to_scwrl_153295139.seq -o /var/tmp/from_scwrl_153295139.pdb > /var/tmp/scwrl_153295139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153295139.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1311248959.pdb -s /var/tmp/to_scwrl_1311248959.seq -o /var/tmp/from_scwrl_1311248959.pdb > /var/tmp/scwrl_1311248959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1311248959.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 T0358 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_23799035.pdb -s /var/tmp/to_scwrl_23799035.seq -o /var/tmp/from_scwrl_23799035.pdb > /var/tmp/scwrl_23799035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_23799035.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 # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1065865064.pdb -s /var/tmp/to_scwrl_1065865064.seq -o /var/tmp/from_scwrl_1065865064.pdb > /var/tmp/scwrl_1065865064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1065865064.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_532986369.pdb -s /var/tmp/to_scwrl_532986369.seq -o /var/tmp/from_scwrl_532986369.pdb > /var/tmp/scwrl_532986369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_532986369.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1097789470.pdb -s /var/tmp/to_scwrl_1097789470.seq -o /var/tmp/from_scwrl_1097789470.pdb > /var/tmp/scwrl_1097789470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097789470.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 T0358 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_651615783.pdb -s /var/tmp/to_scwrl_651615783.seq -o /var/tmp/from_scwrl_651615783.pdb > /var/tmp/scwrl_651615783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_651615783.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 85 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_346727669.pdb -s /var/tmp/to_scwrl_346727669.seq -o /var/tmp/from_scwrl_346727669.pdb > /var/tmp/scwrl_346727669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346727669.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 84 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1231580405.pdb -s /var/tmp/to_scwrl_1231580405.seq -o /var/tmp/from_scwrl_1231580405.pdb > /var/tmp/scwrl_1231580405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1231580405.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 85 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_61892957.pdb -s /var/tmp/to_scwrl_61892957.seq -o /var/tmp/from_scwrl_61892957.pdb > /var/tmp/scwrl_61892957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_61892957.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_872250326.pdb -s /var/tmp/to_scwrl_872250326.seq -o /var/tmp/from_scwrl_872250326.pdb > /var/tmp/scwrl_872250326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_872250326.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 85 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_717442292.pdb -s /var/tmp/to_scwrl_717442292.seq -o /var/tmp/from_scwrl_717442292.pdb > /var/tmp/scwrl_717442292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_717442292.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_214384497.pdb -s /var/tmp/to_scwrl_214384497.seq -o /var/tmp/from_scwrl_214384497.pdb > /var/tmp/scwrl_214384497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214384497.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1751454342.pdb -s /var/tmp/to_scwrl_1751454342.seq -o /var/tmp/from_scwrl_1751454342.pdb > /var/tmp/scwrl_1751454342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1751454342.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 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2123353346.pdb -s /var/tmp/to_scwrl_2123353346.seq -o /var/tmp/from_scwrl_2123353346.pdb > /var/tmp/scwrl_2123353346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2123353346.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1672466157.pdb -s /var/tmp/to_scwrl_1672466157.seq -o /var/tmp/from_scwrl_1672466157.pdb > /var/tmp/scwrl_1672466157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1672466157.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 37 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1878434562.pdb -s /var/tmp/to_scwrl_1878434562.seq -o /var/tmp/from_scwrl_1878434562.pdb > /var/tmp/scwrl_1878434562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878434562.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 84 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_737691804.pdb -s /var/tmp/to_scwrl_737691804.seq -o /var/tmp/from_scwrl_737691804.pdb > /var/tmp/scwrl_737691804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737691804.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 49 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_707487430.pdb -s /var/tmp/to_scwrl_707487430.seq -o /var/tmp/from_scwrl_707487430.pdb > /var/tmp/scwrl_707487430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707487430.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 60 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_714260240.pdb -s /var/tmp/to_scwrl_714260240.seq -o /var/tmp/from_scwrl_714260240.pdb > /var/tmp/scwrl_714260240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_714260240.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 42 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1883159322.pdb -s /var/tmp/to_scwrl_1883159322.seq -o /var/tmp/from_scwrl_1883159322.pdb > /var/tmp/scwrl_1883159322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1883159322.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 86 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_950755822.pdb -s /var/tmp/to_scwrl_950755822.seq -o /var/tmp/from_scwrl_950755822.pdb > /var/tmp/scwrl_950755822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_950755822.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 86 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1010730681.pdb -s /var/tmp/to_scwrl_1010730681.seq -o /var/tmp/from_scwrl_1010730681.pdb > /var/tmp/scwrl_1010730681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010730681.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 86 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_617251305.pdb -s /var/tmp/to_scwrl_617251305.seq -o /var/tmp/from_scwrl_617251305.pdb > /var/tmp/scwrl_617251305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_617251305.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 56 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_176622456.pdb -s /var/tmp/to_scwrl_176622456.seq -o /var/tmp/from_scwrl_176622456.pdb > /var/tmp/scwrl_176622456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176622456.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 63 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_531205019.pdb -s /var/tmp/to_scwrl_531205019.seq -o /var/tmp/from_scwrl_531205019.pdb > /var/tmp/scwrl_531205019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_531205019.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 85 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_843097082.pdb -s /var/tmp/to_scwrl_843097082.seq -o /var/tmp/from_scwrl_843097082.pdb > /var/tmp/scwrl_843097082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_843097082.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 84 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_935958199.pdb -s /var/tmp/to_scwrl_935958199.seq -o /var/tmp/from_scwrl_935958199.pdb > /var/tmp/scwrl_935958199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_935958199.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 48 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2067364778.pdb -s /var/tmp/to_scwrl_2067364778.seq -o /var/tmp/from_scwrl_2067364778.pdb > /var/tmp/scwrl_2067364778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067364778.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 86 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_122866700.pdb -s /var/tmp/to_scwrl_122866700.seq -o /var/tmp/from_scwrl_122866700.pdb > /var/tmp/scwrl_122866700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122866700.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 41 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1168622960.pdb -s /var/tmp/to_scwrl_1168622960.seq -o /var/tmp/from_scwrl_1168622960.pdb > /var/tmp/scwrl_1168622960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1168622960.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_73176270.pdb -s /var/tmp/to_scwrl_73176270.seq -o /var/tmp/from_scwrl_73176270.pdb > /var/tmp/scwrl_73176270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_73176270.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 79 ; scwrl -i /var/tmp/to_scwrl_1434115660.pdb -s /var/tmp/to_scwrl_1434115660.seq -o /var/tmp/from_scwrl_1434115660.pdb > /var/tmp/scwrl_1434115660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434115660.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 79 ; scwrl -i /var/tmp/to_scwrl_1192421996.pdb -s /var/tmp/to_scwrl_1192421996.seq -o /var/tmp/from_scwrl_1192421996.pdb > /var/tmp/scwrl_1192421996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192421996.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1139041333.pdb -s /var/tmp/to_scwrl_1139041333.seq -o /var/tmp/from_scwrl_1139041333.pdb > /var/tmp/scwrl_1139041333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139041333.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1967102029.pdb -s /var/tmp/to_scwrl_1967102029.seq -o /var/tmp/from_scwrl_1967102029.pdb > /var/tmp/scwrl_1967102029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1967102029.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_142727820.pdb -s /var/tmp/to_scwrl_142727820.seq -o /var/tmp/from_scwrl_142727820.pdb > /var/tmp/scwrl_142727820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142727820.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1790657116.pdb -s /var/tmp/to_scwrl_1790657116.seq -o /var/tmp/from_scwrl_1790657116.pdb > /var/tmp/scwrl_1790657116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1790657116.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_166346051.pdb -s /var/tmp/to_scwrl_166346051.seq -o /var/tmp/from_scwrl_166346051.pdb > /var/tmp/scwrl_166346051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166346051.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1374308225.pdb -s /var/tmp/to_scwrl_1374308225.seq -o /var/tmp/from_scwrl_1374308225.pdb > /var/tmp/scwrl_1374308225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374308225.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1852550074.pdb -s /var/tmp/to_scwrl_1852550074.seq -o /var/tmp/from_scwrl_1852550074.pdb > /var/tmp/scwrl_1852550074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1852550074.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1038596377.pdb -s /var/tmp/to_scwrl_1038596377.seq -o /var/tmp/from_scwrl_1038596377.pdb > /var/tmp/scwrl_1038596377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038596377.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 T0358 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2091750518.pdb -s /var/tmp/to_scwrl_2091750518.seq -o /var/tmp/from_scwrl_2091750518.pdb > /var/tmp/scwrl_2091750518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2091750518.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 T0358 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2066934571.pdb -s /var/tmp/to_scwrl_2066934571.seq -o /var/tmp/from_scwrl_2066934571.pdb > /var/tmp/scwrl_2066934571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2066934571.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 T0358 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_642567072.pdb -s /var/tmp/to_scwrl_642567072.seq -o /var/tmp/from_scwrl_642567072.pdb > /var/tmp/scwrl_642567072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_642567072.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 T0358 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2067620217.pdb -s /var/tmp/to_scwrl_2067620217.seq -o /var/tmp/from_scwrl_2067620217.pdb > /var/tmp/scwrl_2067620217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067620217.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1591917081.pdb -s /var/tmp/to_scwrl_1591917081.seq -o /var/tmp/from_scwrl_1591917081.pdb > /var/tmp/scwrl_1591917081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1591917081.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_373517987.pdb -s /var/tmp/to_scwrl_373517987.seq -o /var/tmp/from_scwrl_373517987.pdb > /var/tmp/scwrl_373517987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373517987.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 T0358 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_657828374.pdb -s /var/tmp/to_scwrl_657828374.seq -o /var/tmp/from_scwrl_657828374.pdb > /var/tmp/scwrl_657828374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_657828374.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 T0358 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_151920864.pdb -s /var/tmp/to_scwrl_151920864.seq -o /var/tmp/from_scwrl_151920864.pdb > /var/tmp/scwrl_151920864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151920864.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 T0358 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1087778226.pdb -s /var/tmp/to_scwrl_1087778226.seq -o /var/tmp/from_scwrl_1087778226.pdb > /var/tmp/scwrl_1087778226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1087778226.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 T0358 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_393504050.pdb -s /var/tmp/to_scwrl_393504050.seq -o /var/tmp/from_scwrl_393504050.pdb > /var/tmp/scwrl_393504050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_393504050.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 60 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1102676685.pdb -s /var/tmp/to_scwrl_1102676685.seq -o /var/tmp/from_scwrl_1102676685.pdb > /var/tmp/scwrl_1102676685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102676685.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 37 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2098508907.pdb -s /var/tmp/to_scwrl_2098508907.seq -o /var/tmp/from_scwrl_2098508907.pdb > /var/tmp/scwrl_2098508907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2098508907.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 57 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1010755355.pdb -s /var/tmp/to_scwrl_1010755355.seq -o /var/tmp/from_scwrl_1010755355.pdb > /var/tmp/scwrl_1010755355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010755355.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1279299141.pdb -s /var/tmp/to_scwrl_1279299141.seq -o /var/tmp/from_scwrl_1279299141.pdb > /var/tmp/scwrl_1279299141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279299141.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 26 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_482230279.pdb -s /var/tmp/to_scwrl_482230279.seq -o /var/tmp/from_scwrl_482230279.pdb > /var/tmp/scwrl_482230279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_482230279.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1853852436.pdb -s /var/tmp/to_scwrl_1853852436.seq -o /var/tmp/from_scwrl_1853852436.pdb > /var/tmp/scwrl_1853852436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853852436.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 65 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_67773694.pdb -s /var/tmp/to_scwrl_67773694.seq -o /var/tmp/from_scwrl_67773694.pdb > /var/tmp/scwrl_67773694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67773694.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 78 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_402111411.pdb -s /var/tmp/to_scwrl_402111411.seq -o /var/tmp/from_scwrl_402111411.pdb > /var/tmp/scwrl_402111411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_402111411.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1976719137.pdb -s /var/tmp/to_scwrl_1976719137.seq -o /var/tmp/from_scwrl_1976719137.pdb > /var/tmp/scwrl_1976719137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1976719137.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1236396654.pdb -s /var/tmp/to_scwrl_1236396654.seq -o /var/tmp/from_scwrl_1236396654.pdb > /var/tmp/scwrl_1236396654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1236396654.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 31 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_475287681.pdb -s /var/tmp/to_scwrl_475287681.seq -o /var/tmp/from_scwrl_475287681.pdb > /var/tmp/scwrl_475287681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_475287681.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 75 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1263351150.pdb -s /var/tmp/to_scwrl_1263351150.seq -o /var/tmp/from_scwrl_1263351150.pdb > /var/tmp/scwrl_1263351150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1263351150.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 55 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_281335004.pdb -s /var/tmp/to_scwrl_281335004.seq -o /var/tmp/from_scwrl_281335004.pdb > /var/tmp/scwrl_281335004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281335004.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 66 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1614329015.pdb -s /var/tmp/to_scwrl_1614329015.seq -o /var/tmp/from_scwrl_1614329015.pdb > /var/tmp/scwrl_1614329015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1614329015.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 34 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1082969532.pdb -s /var/tmp/to_scwrl_1082969532.seq -o /var/tmp/from_scwrl_1082969532.pdb > /var/tmp/scwrl_1082969532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1082969532.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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_424062824.pdb -s /var/tmp/to_scwrl_424062824.seq -o /var/tmp/from_scwrl_424062824.pdb > /var/tmp/scwrl_424062824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424062824.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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1257502484.pdb -s /var/tmp/to_scwrl_1257502484.seq -o /var/tmp/from_scwrl_1257502484.pdb > /var/tmp/scwrl_1257502484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1257502484.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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1249315583.pdb -s /var/tmp/to_scwrl_1249315583.seq -o /var/tmp/from_scwrl_1249315583.pdb > /var/tmp/scwrl_1249315583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249315583.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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1798371050.pdb -s /var/tmp/to_scwrl_1798371050.seq -o /var/tmp/from_scwrl_1798371050.pdb > /var/tmp/scwrl_1798371050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1798371050.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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_962568912.pdb -s /var/tmp/to_scwrl_962568912.seq -o /var/tmp/from_scwrl_962568912.pdb > /var/tmp/scwrl_962568912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_962568912.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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_140428313.pdb -s /var/tmp/to_scwrl_140428313.seq -o /var/tmp/from_scwrl_140428313.pdb > /var/tmp/scwrl_140428313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140428313.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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1742637921.pdb -s /var/tmp/to_scwrl_1742637921.seq -o /var/tmp/from_scwrl_1742637921.pdb > /var/tmp/scwrl_1742637921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1742637921.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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_882019837.pdb -s /var/tmp/to_scwrl_882019837.seq -o /var/tmp/from_scwrl_882019837.pdb > /var/tmp/scwrl_882019837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_882019837.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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_782995386.pdb -s /var/tmp/to_scwrl_782995386.seq -o /var/tmp/from_scwrl_782995386.pdb > /var/tmp/scwrl_782995386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_782995386.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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1662774491.pdb -s /var/tmp/to_scwrl_1662774491.seq -o /var/tmp/from_scwrl_1662774491.pdb > /var/tmp/scwrl_1662774491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1662774491.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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_326453271.pdb -s /var/tmp/to_scwrl_326453271.seq -o /var/tmp/from_scwrl_326453271.pdb > /var/tmp/scwrl_326453271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326453271.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 60 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1156513372.pdb -s /var/tmp/to_scwrl_1156513372.seq -o /var/tmp/from_scwrl_1156513372.pdb > /var/tmp/scwrl_1156513372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1156513372.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 66 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_173119219.pdb -s /var/tmp/to_scwrl_173119219.seq -o /var/tmp/from_scwrl_173119219.pdb > /var/tmp/scwrl_173119219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_173119219.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 83 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_478374136.pdb -s /var/tmp/to_scwrl_478374136.seq -o /var/tmp/from_scwrl_478374136.pdb > /var/tmp/scwrl_478374136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478374136.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 85 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_96807953.pdb -s /var/tmp/to_scwrl_96807953.seq -o /var/tmp/from_scwrl_96807953.pdb > /var/tmp/scwrl_96807953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_96807953.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 60 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_566623269.pdb -s /var/tmp/to_scwrl_566623269.seq -o /var/tmp/from_scwrl_566623269.pdb > /var/tmp/scwrl_566623269.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_566623269.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 85 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1581050821.pdb -s /var/tmp/to_scwrl_1581050821.seq -o /var/tmp/from_scwrl_1581050821.pdb > /var/tmp/scwrl_1581050821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581050821.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_47833213.pdb -s /var/tmp/to_scwrl_47833213.seq -o /var/tmp/from_scwrl_47833213.pdb > /var/tmp/scwrl_47833213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47833213.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 T0358 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1577378623.pdb -s /var/tmp/to_scwrl_1577378623.seq -o /var/tmp/from_scwrl_1577378623.pdb > /var/tmp/scwrl_1577378623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1577378623.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 T0358 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_712866317.pdb -s /var/tmp/to_scwrl_712866317.seq -o /var/tmp/from_scwrl_712866317.pdb > /var/tmp/scwrl_712866317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712866317.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 T0358 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_530063493.pdb -s /var/tmp/to_scwrl_530063493.seq -o /var/tmp/from_scwrl_530063493.pdb > /var/tmp/scwrl_530063493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530063493.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 T0358 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1283747412.pdb -s /var/tmp/to_scwrl_1283747412.seq -o /var/tmp/from_scwrl_1283747412.pdb > /var/tmp/scwrl_1283747412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283747412.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 T0358 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_780640011.pdb -s /var/tmp/to_scwrl_780640011.seq -o /var/tmp/from_scwrl_780640011.pdb > /var/tmp/scwrl_780640011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_780640011.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 75 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_932174904.pdb -s /var/tmp/to_scwrl_932174904.seq -o /var/tmp/from_scwrl_932174904.pdb > /var/tmp/scwrl_932174904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_932174904.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 46 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1112982902.pdb -s /var/tmp/to_scwrl_1112982902.seq -o /var/tmp/from_scwrl_1112982902.pdb > /var/tmp/scwrl_1112982902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112982902.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 41 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2017036665.pdb -s /var/tmp/to_scwrl_2017036665.seq -o /var/tmp/from_scwrl_2017036665.pdb > /var/tmp/scwrl_2017036665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017036665.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 83 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1407462584.pdb -s /var/tmp/to_scwrl_1407462584.seq -o /var/tmp/from_scwrl_1407462584.pdb > /var/tmp/scwrl_1407462584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1407462584.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 27 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_228850406.pdb -s /var/tmp/to_scwrl_228850406.seq -o /var/tmp/from_scwrl_228850406.pdb > /var/tmp/scwrl_228850406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228850406.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 84 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_150888023.pdb -s /var/tmp/to_scwrl_150888023.seq -o /var/tmp/from_scwrl_150888023.pdb > /var/tmp/scwrl_150888023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150888023.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_874307953.pdb -s /var/tmp/to_scwrl_874307953.seq -o /var/tmp/from_scwrl_874307953.pdb > /var/tmp/scwrl_874307953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_874307953.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 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 79 ; scwrl -i /var/tmp/to_scwrl_1311819938.pdb -s /var/tmp/to_scwrl_1311819938.seq -o /var/tmp/from_scwrl_1311819938.pdb > /var/tmp/scwrl_1311819938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1311819938.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_574950847.pdb -s /var/tmp/to_scwrl_574950847.seq -o /var/tmp/from_scwrl_574950847.pdb > /var/tmp/scwrl_574950847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574950847.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2131810438.pdb -s /var/tmp/to_scwrl_2131810438.seq -o /var/tmp/from_scwrl_2131810438.pdb > /var/tmp/scwrl_2131810438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131810438.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_413651875.pdb -s /var/tmp/to_scwrl_413651875.seq -o /var/tmp/from_scwrl_413651875.pdb > /var/tmp/scwrl_413651875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_413651875.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 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_225838250.pdb -s /var/tmp/to_scwrl_225838250.seq -o /var/tmp/from_scwrl_225838250.pdb > /var/tmp/scwrl_225838250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_225838250.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 T0358 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_946895703.pdb -s /var/tmp/to_scwrl_946895703.seq -o /var/tmp/from_scwrl_946895703.pdb > /var/tmp/scwrl_946895703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_946895703.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 T0358 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_554080189.pdb -s /var/tmp/to_scwrl_554080189.seq -o /var/tmp/from_scwrl_554080189.pdb > /var/tmp/scwrl_554080189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_554080189.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 T0358 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1968476171.pdb -s /var/tmp/to_scwrl_1968476171.seq -o /var/tmp/from_scwrl_1968476171.pdb > /var/tmp/scwrl_1968476171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1968476171.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 79 ; scwrl -i /var/tmp/to_scwrl_1828915539.pdb -s /var/tmp/to_scwrl_1828915539.seq -o /var/tmp/from_scwrl_1828915539.pdb > /var/tmp/scwrl_1828915539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1828915539.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 79 ; scwrl -i /var/tmp/to_scwrl_1337075574.pdb -s /var/tmp/to_scwrl_1337075574.seq -o /var/tmp/from_scwrl_1337075574.pdb > /var/tmp/scwrl_1337075574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1337075574.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 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1483767016.pdb -s /var/tmp/to_scwrl_1483767016.seq -o /var/tmp/from_scwrl_1483767016.pdb > /var/tmp/scwrl_1483767016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1483767016.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_7885164.pdb -s /var/tmp/to_scwrl_7885164.seq -o /var/tmp/from_scwrl_7885164.pdb > /var/tmp/scwrl_7885164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_7885164.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 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_346105300.pdb -s /var/tmp/to_scwrl_346105300.seq -o /var/tmp/from_scwrl_346105300.pdb > /var/tmp/scwrl_346105300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346105300.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1656886235.pdb -s /var/tmp/to_scwrl_1656886235.seq -o /var/tmp/from_scwrl_1656886235.pdb > /var/tmp/scwrl_1656886235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1656886235.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_486259300.pdb -s /var/tmp/to_scwrl_486259300.seq -o /var/tmp/from_scwrl_486259300.pdb > /var/tmp/scwrl_486259300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_486259300.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_442913253.pdb -s /var/tmp/to_scwrl_442913253.seq -o /var/tmp/from_scwrl_442913253.pdb > /var/tmp/scwrl_442913253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442913253.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_76025857.pdb -s /var/tmp/to_scwrl_76025857.seq -o /var/tmp/from_scwrl_76025857.pdb > /var/tmp/scwrl_76025857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_76025857.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 T0358 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_2067310121.pdb -s /var/tmp/to_scwrl_2067310121.seq -o /var/tmp/from_scwrl_2067310121.pdb > /var/tmp/scwrl_2067310121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067310121.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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_490746467.pdb -s /var/tmp/to_scwrl_490746467.seq -o /var/tmp/from_scwrl_490746467.pdb > /var/tmp/scwrl_490746467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_490746467.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_1653404480.pdb -s /var/tmp/to_scwrl_1653404480.seq -o /var/tmp/from_scwrl_1653404480.pdb > /var/tmp/scwrl_1653404480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1653404480.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl -i /var/tmp/to_scwrl_632692791.pdb -s /var/tmp/to_scwrl_632692791.seq -o /var/tmp/from_scwrl_632692791.pdb > /var/tmp/scwrl_632692791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_632692791.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 27.753 sec, elapsed time= 463.999 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 565.099 real_cost = 208.323 shub_TS1 costs 541.390 real_cost = 194.078 panther2_TS1-scwrl costs 861.666 real_cost = 425.126 panther2_TS1 costs 855.467 real_cost = 422.532 nFOLD_TS5-scwrl costs 441.578 real_cost = 218.805 nFOLD_TS5 costs 2859.888 real_cost = 285.884 nFOLD_TS4-scwrl costs 559.215 real_cost = 313.967 nFOLD_TS4 costs 11660.282 real_cost = 344.998 nFOLD_TS3-scwrl costs 563.675 real_cost = 321.733 nFOLD_TS3 costs 5169.690 real_cost = 372.666 nFOLD_TS2-scwrl costs 495.269 real_cost = 347.418 nFOLD_TS2 costs 4171.111 real_cost = 397.873 nFOLD_TS1-scwrl costs 512.246 real_cost = 215.266 nFOLD_TS1 costs 2143.561 real_cost = 234.406 mGen-3D_TS1-scwrl costs 501.340 real_cost = 106.378 mGen-3D_TS1 costs 2372.572 real_cost = 147.334 keasar-server_TS5-scwrl costs 468.903 real_cost = 292.944 keasar-server_TS5 costs 473.356 real_cost = 298.451 keasar-server_TS4-scwrl costs 468.903 real_cost = 292.944 keasar-server_TS4 costs 473.356 real_cost = 298.451 keasar-server_TS3-scwrl costs 450.746 real_cost = 319.777 keasar-server_TS3 costs 459.047 real_cost = 319.877 keasar-server_TS2-scwrl costs 523.252 real_cost = 295.829 keasar-server_TS2 costs 524.294 real_cost = 305.765 keasar-server_TS1-scwrl costs 500.961 real_cost = 288.747 keasar-server_TS1 costs 503.942 real_cost = 298.720 karypis.srv_TS5-scwrl costs 560.540 real_cost = 179.334 karypis.srv_TS5 costs 554.137 real_cost = 180.235 karypis.srv_TS4-scwrl costs 548.452 real_cost = 227.249 karypis.srv_TS4 costs 537.581 real_cost = 224.649 karypis.srv_TS3-scwrl costs 593.259 real_cost = 257.213 karypis.srv_TS3 costs 586.515 real_cost = 261.101 karypis.srv_TS2-scwrl costs 483.360 real_cost = 170.110 karypis.srv_TS2 costs 483.360 real_cost = 170.110 karypis.srv_TS1-scwrl costs 431.373 real_cost = 166.527 karypis.srv_TS1 costs 431.373 real_cost = 166.527 karypis.srv.4_TS5-scwrl costs 530.194 real_cost = 280.528 karypis.srv.4_TS5 costs 530.194 real_cost = 280.528 karypis.srv.4_TS4-scwrl costs 554.146 real_cost = 252.766 karypis.srv.4_TS4 costs 554.146 real_cost = 252.766 karypis.srv.4_TS3-scwrl costs 528.224 real_cost = 232.447 karypis.srv.4_TS3 costs 528.929 real_cost = 232.447 karypis.srv.4_TS2-scwrl costs 521.756 real_cost = 301.882 karypis.srv.4_TS2 costs 521.756 real_cost = 301.882 karypis.srv.4_TS1-scwrl costs 579.903 real_cost = 314.078 karypis.srv.4_TS1 costs 579.903 real_cost = 314.078 karypis.srv.2_TS5-scwrl costs 449.743 real_cost = 227.118 karypis.srv.2_TS5 costs 449.743 real_cost = 227.118 karypis.srv.2_TS4-scwrl costs 451.991 real_cost = 222.190 karypis.srv.2_TS4 costs 451.991 real_cost = 222.190 karypis.srv.2_TS3-scwrl costs 407.843 real_cost = 184.247 karypis.srv.2_TS3 costs 407.585 real_cost = 182.669 karypis.srv.2_TS2-scwrl costs 440.555 real_cost = 180.704 karypis.srv.2_TS2 costs 440.555 real_cost = 180.704 karypis.srv.2_TS1-scwrl costs 445.549 real_cost = 172.560 karypis.srv.2_TS1 costs 445.549 real_cost = 172.560 forecast-s_AL5-scwrl costs 590.355 real_cost = 363.585 forecast-s_AL5 costs 69838.348 real_cost = 408.888 forecast-s_AL4-scwrl costs 679.604 real_cost = 310.300 forecast-s_AL4 costs 20752.808 real_cost = 369.915 forecast-s_AL3-scwrl costs 603.012 real_cost = 286.231 forecast-s_AL3 costs 12445.164 real_cost = 334.211 forecast-s_AL2-scwrl costs 880.445 real_cost = 276.506 forecast-s_AL2 costs 109197.361 real_cost = 307.428 forecast-s_AL1-scwrl costs 675.620 real_cost = 352.120 forecast-s_AL1 costs 61876.777 real_cost = 402.757 beautshotbase_TS1-scwrl costs 460.791 real_cost = 202.802 beautshotbase_TS1 costs 462.114 real_cost = 198.269 beautshot_TS1-scwrl costs 448.522 real_cost = 183.043 beautshot_TS1 costs 444.952 real_cost = 183.802 Zhang-Server_TS5-scwrl costs 463.899 real_cost = 43.542 Zhang-Server_TS5 costs 467.744 real_cost = 47.854 Zhang-Server_TS4-scwrl costs 505.303 real_cost = 49.570 Zhang-Server_TS4 costs 500.526 real_cost = 85.343 Zhang-Server_TS3-scwrl costs 559.413 real_cost = 144.886 Zhang-Server_TS3 costs 558.693 real_cost = 155.750 Zhang-Server_TS2-scwrl costs 659.405 real_cost = 179.669 Zhang-Server_TS2 costs 611.616 real_cost = 188.154 Zhang-Server_TS1-scwrl costs 588.244 real_cost = 121.891 Zhang-Server_TS1 costs 542.327 real_cost = 136.190 UNI-EID_sfst_AL5-scwrl costs 793.405 real_cost = 297.125 UNI-EID_sfst_AL5 costs 15392.528 real_cost = 332.734 UNI-EID_sfst_AL4-scwrl costs 688.794 real_cost = 170.624 UNI-EID_sfst_AL4 costs 35372.753 real_cost = 213.785 UNI-EID_sfst_AL3-scwrl costs 672.732 real_cost = 190.048 UNI-EID_sfst_AL3 costs 21700.377 real_cost = 231.019 UNI-EID_sfst_AL2-scwrl costs 729.339 real_cost = 254.323 UNI-EID_sfst_AL2 costs 4278.499 real_cost = 261.757 UNI-EID_sfst_AL1-scwrl costs 690.588 real_cost = 257.489 UNI-EID_sfst_AL1 costs 11625.808 real_cost = 285.222 UNI-EID_expm_TS1-scwrl costs 671.636 real_cost = 172.538 UNI-EID_expm_TS1 costs 4830.772 real_cost = 206.787 UNI-EID_bnmx_TS5-scwrl costs 714.742 real_cost = 276.777 UNI-EID_bnmx_TS5 costs 4945.515 real_cost = 306.260 UNI-EID_bnmx_TS4-scwrl costs 730.181 real_cost = 310.051 UNI-EID_bnmx_TS4 costs 55172.296 real_cost = 331.723 UNI-EID_bnmx_TS3-scwrl costs 796.958 real_cost = 288.221 UNI-EID_bnmx_TS3 costs 52593.247 real_cost = 257.598 UNI-EID_bnmx_TS2-scwrl costs 694.110 real_cost = 251.482 UNI-EID_bnmx_TS2 costs 32876.661 real_cost = 284.409 UNI-EID_bnmx_TS1-scwrl costs 591.313 real_cost = 212.414 UNI-EID_bnmx_TS1 costs 16783.148 real_cost = 239.030 SPARKS2_TS5-scwrl costs 427.612 real_cost = 207.391 SPARKS2_TS5 costs 432.807 real_cost = 210.378 SPARKS2_TS4-scwrl costs 434.280 real_cost = 219.235 SPARKS2_TS4 costs 444.988 real_cost = 228.808 SPARKS2_TS3-scwrl costs 460.706 real_cost = 231.583 SPARKS2_TS3 costs 469.541 real_cost = 229.902 SPARKS2_TS2-scwrl costs 405.949 real_cost = 183.204 SPARKS2_TS2 costs 412.660 real_cost = 192.544 SPARKS2_TS1-scwrl costs 432.912 real_cost = 162.808 SPARKS2_TS1 costs 436.510 real_cost = 163.661 SP4_TS5-scwrl costs 433.441 real_cost = 84.399 SP4_TS5 costs 440.387 real_cost = 105.199 SP4_TS4-scwrl costs 441.964 real_cost = 210.063 SP4_TS4 costs 447.121 real_cost = 214.345 SP4_TS3-scwrl costs 416.798 real_cost = 81.445 SP4_TS3 costs 421.990 real_cost = 90.460 SP4_TS2-scwrl costs 401.797 real_cost = 168.077 SP4_TS2 costs 409.370 real_cost = 179.000 SP4_TS1-scwrl costs 394.818 real_cost = 183.618 SP4_TS1 costs 402.552 real_cost = 186.475 SP3_TS5-scwrl costs 440.101 real_cost = 211.384 SP3_TS5 costs 440.971 real_cost = 210.901 SP3_TS4-scwrl costs 442.521 real_cost = 183.298 SP3_TS4 costs 448.367 real_cost = 198.396 SP3_TS3-scwrl costs 457.174 real_cost = 135.352 SP3_TS3 costs 465.900 real_cost = 160.094 SP3_TS2-scwrl costs 415.457 real_cost = 165.309 SP3_TS2 costs 414.731 real_cost = 168.081 SP3_TS1-scwrl costs 430.255 real_cost = 141.579 SP3_TS1 costs 432.571 real_cost = 160.195 SAM_T06_server_TS5-scwrl costs 923.974 real_cost = 317.913 SAM_T06_server_TS5 costs 880.459 real_cost = 388.986 SAM_T06_server_TS4-scwrl costs 563.795 real_cost = 139.647 SAM_T06_server_TS4 costs 530.528 real_cost = 124.256 SAM_T06_server_TS3-scwrl costs 636.760 real_cost = 197.498 SAM_T06_server_TS3 costs 578.823 real_cost = 184.659 SAM_T06_server_TS2-scwrl costs 744.103 real_cost = 272.261 SAM_T06_server_TS2 costs 721.554 real_cost = 264.807 SAM_T06_server_TS1-scwrl costs 339.358 real_cost = 98.276 SAM_T06_server_TS1 costs 333.333 real_cost = 97.616 SAM-T02_AL5-scwrl costs 574.083 real_cost = 347.132 SAM-T02_AL5 costs 12932.279 real_cost = 412.316 SAM-T02_AL4-scwrl costs 808.000 real_cost = 385.389 SAM-T02_AL4 costs 68206.726 real_cost = 412.251 SAM-T02_AL3-scwrl costs 833.879 real_cost = 188.226 SAM-T02_AL3 costs 10551.052 real_cost = 194.644 SAM-T02_AL2-scwrl costs 866.478 real_cost = 411.245 SAM-T02_AL2 costs 2571.822 real_cost = 416.484 SAM-T02_AL1-scwrl costs 894.201 real_cost = 282.150 SAM-T02_AL1 costs 10405.690 real_cost = 400.723 ROKKY_TS5-scwrl costs 389.188 real_cost = 228.594 ROKKY_TS5 costs 4818.321 real_cost = 301.362 ROKKY_TS4-scwrl costs 410.356 real_cost = 184.075 ROKKY_TS4 costs 4743.667 real_cost = 257.267 ROKKY_TS3-scwrl costs 392.764 real_cost = 181.575 ROKKY_TS3 costs 5893.374 real_cost = 254.604 ROKKY_TS2-scwrl costs 407.959 real_cost = 191.051 ROKKY_TS2 costs 8058.108 real_cost = 268.324 ROKKY_TS1-scwrl costs 403.888 real_cost = 177.839 ROKKY_TS1 costs 5835.296 real_cost = 248.541 ROBETTA_TS5-scwrl costs 384.166 real_cost = 135.417 ROBETTA_TS5 costs 379.418 real_cost = 138.249 ROBETTA_TS4-scwrl costs 368.899 real_cost = 139.746 ROBETTA_TS4 costs 364.293 real_cost = 141.273 ROBETTA_TS3-scwrl costs 400.915 real_cost = 121.708 ROBETTA_TS3 costs 390.353 real_cost = 138.730 ROBETTA_TS2-scwrl costs 380.713 real_cost = 173.108 ROBETTA_TS2 costs 373.926 real_cost = 180.780 ROBETTA_TS1-scwrl costs 364.116 real_cost = 133.552 ROBETTA_TS1 costs 361.547 real_cost = 133.645 RAPTOR_TS5-scwrl costs 432.406 real_cost = 129.654 RAPTOR_TS5 costs 436.892 real_cost = 134.371 RAPTOR_TS4-scwrl costs 419.554 real_cost = 193.851 RAPTOR_TS4 costs 423.522 real_cost = 202.184 RAPTOR_TS3-scwrl costs 424.131 real_cost = 182.544 RAPTOR_TS3 costs 429.553 real_cost = 164.130 RAPTOR_TS2-scwrl costs 451.741 real_cost = 216.573 RAPTOR_TS2 costs 462.688 real_cost = 218.759 RAPTOR_TS1-scwrl costs 403.496 real_cost = 71.331 RAPTOR_TS1 costs 407.683 real_cost = 86.629 RAPTORESS_TS5-scwrl costs 444.815 real_cost = 225.856 RAPTORESS_TS5 costs 456.292 real_cost = 236.927 RAPTORESS_TS4-scwrl costs 414.952 real_cost = 170.650 RAPTORESS_TS4 costs 420.164 real_cost = 175.208 RAPTORESS_TS3-scwrl costs 423.797 real_cost = 155.095 RAPTORESS_TS3 costs 429.323 real_cost = 163.119 RAPTORESS_TS2-scwrl costs 413.166 real_cost = 197.682 RAPTORESS_TS2 costs 416.651 real_cost = 200.852 RAPTORESS_TS1-scwrl costs 395.823 real_cost = 84.228 RAPTORESS_TS1 costs 401.233 real_cost = 95.009 RAPTOR-ACE_TS5-scwrl costs 433.500 real_cost = 132.901 RAPTOR-ACE_TS5 costs 442.685 real_cost = 134.107 RAPTOR-ACE_TS4-scwrl costs 425.707 real_cost = 94.902 RAPTOR-ACE_TS4 costs 426.745 real_cost = 108.868 RAPTOR-ACE_TS3-scwrl costs 440.778 real_cost = 196.447 RAPTOR-ACE_TS3 costs 443.243 real_cost = 187.455 RAPTOR-ACE_TS2-scwrl costs 456.444 real_cost = 259.483 RAPTOR-ACE_TS2 costs 454.072 real_cost = 268.071 RAPTOR-ACE_TS1-scwrl costs 406.903 real_cost = 161.556 RAPTOR-ACE_TS1 costs 416.923 real_cost = 156.847 Pmodeller6_TS5-scwrl costs 384.166 real_cost = 135.417 Pmodeller6_TS5 costs 379.418 real_cost = 138.249 Pmodeller6_TS4-scwrl costs 368.899 real_cost = 139.746 Pmodeller6_TS4 costs 364.293 real_cost = 141.273 Pmodeller6_TS3-scwrl costs 422.150 real_cost = 90.219 Pmodeller6_TS3 costs 415.160 real_cost = 88.909 Pmodeller6_TS2-scwrl costs 380.713 real_cost = 173.108 Pmodeller6_TS2 costs 373.926 real_cost = 180.780 Pmodeller6_TS1-scwrl costs 364.116 real_cost = 133.552 Pmodeller6_TS1 costs 361.547 real_cost = 133.645 Phyre-2_TS5-scwrl costs 397.919 real_cost = 167.509 Phyre-2_TS5 costs 435.502 real_cost = 182.636 Phyre-2_TS4-scwrl costs 435.213 real_cost = 212.573 Phyre-2_TS4 costs 473.024 real_cost = 219.652 Phyre-2_TS3-scwrl costs 427.423 real_cost = 205.242 Phyre-2_TS3 costs 454.896 real_cost = 216.379 Phyre-2_TS2-scwrl costs 451.722 real_cost = 192.838 Phyre-2_TS2 costs 476.657 real_cost = 209.453 Phyre-2_TS1-scwrl costs 437.224 real_cost = 219.255 Phyre-2_TS1 costs 470.320 real_cost = 225.580 Phyre-1_TS1-scwrl costs 837.284 real_cost = 314.130 Phyre-1_TS1 costs 823.803 real_cost = 311.317 Pcons6_TS5-scwrl costs 368.899 real_cost = 139.746 Pcons6_TS5 costs 364.293 real_cost = 141.273 Pcons6_TS4-scwrl costs 384.166 real_cost = 135.417 Pcons6_TS4 costs 379.418 real_cost = 138.249 Pcons6_TS3-scwrl costs 364.116 real_cost = 133.552 Pcons6_TS3 costs 361.547 real_cost = 133.645 Pcons6_TS2-scwrl costs 534.385 real_cost = 220.380 Pcons6_TS2 costs 517.570 real_cost = 216.980 Pcons6_TS1-scwrl costs 480.077 real_cost = 163.733 Pcons6_TS1 costs 480.075 real_cost = 163.733 PROTINFO_TS5-scwrl costs 446.819 real_cost = 317.000 PROTINFO_TS5 costs 447.700 real_cost = 316.611 PROTINFO_TS4-scwrl costs 416.922 real_cost = 155.681 PROTINFO_TS4 costs 423.925 real_cost = 171.798 PROTINFO_TS3-scwrl costs 403.109 real_cost = 159.086 PROTINFO_TS3 costs 414.971 real_cost = 157.953 PROTINFO_TS2-scwrl costs 397.065 real_cost = 137.647 PROTINFO_TS2 costs 399.950 real_cost = 132.289 PROTINFO_TS1-scwrl costs 421.023 real_cost = 162.733 PROTINFO_TS1 costs 413.393 real_cost = 162.224 PROTINFO-AB_TS5-scwrl costs 418.263 real_cost = 198.966 PROTINFO-AB_TS5 costs 411.932 real_cost = 193.332 PROTINFO-AB_TS4-scwrl costs 414.487 real_cost = 187.629 PROTINFO-AB_TS4 costs 427.147 real_cost = 198.274 PROTINFO-AB_TS3-scwrl costs 399.335 real_cost = 143.009 PROTINFO-AB_TS3 costs 410.463 real_cost = 163.515 PROTINFO-AB_TS2-scwrl costs 413.958 real_cost = 177.176 PROTINFO-AB_TS2 costs 425.322 real_cost = 167.844 PROTINFO-AB_TS1-scwrl costs 406.218 real_cost = 187.348 PROTINFO-AB_TS1 costs 424.563 real_cost = 177.311 POMYSL_TS5-scwrl costs 486.514 real_cost = 232.990 POMYSL_TS5 costs 497.628 real_cost = 234.870 POMYSL_TS4-scwrl costs 488.499 real_cost = 246.340 POMYSL_TS4 costs 502.304 real_cost = 260.507 POMYSL_TS3-scwrl costs 540.744 real_cost = 242.727 POMYSL_TS3 costs 522.641 real_cost = 263.721 POMYSL_TS2-scwrl costs 498.429 real_cost = 242.484 POMYSL_TS2 costs 509.048 real_cost = 246.058 POMYSL_TS1-scwrl costs 513.536 real_cost = 234.721 POMYSL_TS1 costs 520.013 real_cost = 254.647 NN_PUT_lab_TS1-scwrl costs 491.643 real_cost = 154.862 NN_PUT_lab_TS1 costs 7042.278 real_cost = 213.825 MetaTasser_TS5-scwrl costs 509.892 real_cost = 192.035 MetaTasser_TS5 costs 533.547 real_cost = 190.647 MetaTasser_TS4-scwrl costs 488.284 real_cost = 179.972 MetaTasser_TS4 costs 520.595 real_cost = 186.637 MetaTasser_TS3-scwrl costs 479.802 real_cost = 188.078 MetaTasser_TS3 costs 499.899 real_cost = 187.907 MetaTasser_TS2-scwrl costs 503.110 real_cost = 188.575 MetaTasser_TS2 costs 534.373 real_cost = 197.237 MetaTasser_TS1-scwrl costs 498.450 real_cost = 197.805 MetaTasser_TS1 costs 527.926 real_cost = 206.286 Ma-OPUS-server_TS5-scwrl costs 445.626 real_cost = 196.157 Ma-OPUS-server_TS5 costs 449.295 real_cost = 218.210 Ma-OPUS-server_TS4-scwrl costs 450.495 real_cost = 166.382 Ma-OPUS-server_TS4 costs 452.016 real_cost = 167.420 Ma-OPUS-server_TS3-scwrl costs 431.185 real_cost = 163.236 Ma-OPUS-server_TS3 costs 442.743 real_cost = 176.470 Ma-OPUS-server_TS2-scwrl costs 416.358 real_cost = 161.211 Ma-OPUS-server_TS2 costs 422.988 real_cost = 163.611 Ma-OPUS-server_TS1-scwrl costs 415.324 real_cost = 216.949 Ma-OPUS-server_TS1 costs 413.582 real_cost = 217.695 Ma-OPUS-server2_TS5-scwrl costs 442.706 real_cost = 186.418 Ma-OPUS-server2_TS5 costs 446.241 real_cost = 195.013 Ma-OPUS-server2_TS4-scwrl costs 450.495 real_cost = 166.382 Ma-OPUS-server2_TS4 costs 452.016 real_cost = 167.420 Ma-OPUS-server2_TS3-scwrl costs 416.251 real_cost = 206.152 Ma-OPUS-server2_TS3 costs 422.258 real_cost = 213.036 Ma-OPUS-server2_TS2-scwrl costs 445.894 real_cost = 206.727 Ma-OPUS-server2_TS2 costs 453.779 real_cost = 219.069 Ma-OPUS-server2_TS1-scwrl costs 419.484 real_cost = 208.485 Ma-OPUS-server2_TS1 costs 418.432 real_cost = 207.705 MIG_FROST_AL1-scwrl costs 444.797 real_cost = 179.475 MIG_FROST_AL1 costs 444.795 real_cost = 179.475 LOOPP_TS5 costs 438.887 real_cost = 190.372 LOOPP_TS4-scwrl costs 483.408 real_cost = 145.919 LOOPP_TS4 costs 472.056 real_cost = 139.165 LOOPP_TS3-scwrl costs 459.615 real_cost = 129.673 LOOPP_TS3 costs 454.784 real_cost = 137.966 LOOPP_TS2-scwrl costs 494.083 real_cost = 93.331 LOOPP_TS2 costs 490.530 real_cost = 102.314 LOOPP_TS1-scwrl costs 436.314 real_cost = 137.342 LOOPP_TS1 costs 438.032 real_cost = 147.550 Huber-Torda-Server_TS5-scwrl costs 691.721 real_cost = 345.073 Huber-Torda-Server_TS5 costs 14411.774 real_cost = 337.499 Huber-Torda-Server_TS4-scwrl costs 914.938 real_cost = 812.866 Huber-Torda-Server_TS4 costs 1425.487 real_cost = 815.866 Huber-Torda-Server_TS3-scwrl costs 909.267 real_cost = 812.866 Huber-Torda-Server_TS3 costs 1182.015 real_cost = 815.866 Huber-Torda-Server_TS2-scwrl costs 912.071 real_cost = 812.866 Huber-Torda-Server_TS2 costs 1294.174 real_cost = 815.866 Huber-Torda-Server_TS1-scwrl costs 948.672 real_cost = 812.866 Huber-Torda-Server_TS1 costs 6863.970 real_cost = 815.866 HHpred3_TS1-scwrl costs 455.570 real_cost = 165.721 HHpred3_TS1 costs 461.891 real_cost = 183.512 HHpred2_TS1-scwrl costs 475.009 real_cost = 196.502 HHpred2_TS1 costs 481.140 real_cost = 216.439 HHpred1_TS1-scwrl costs 475.009 real_cost = 196.502 HHpred1_TS1 costs 481.140 real_cost = 216.439 GeneSilicoMetaServer_TS5-scwrl costs 511.466 real_cost = 196.158 GeneSilicoMetaServer_TS5 costs 516.549 real_cost = 205.707 GeneSilicoMetaServer_TS4-scwrl costs 782.449 real_cost = 379.933 GeneSilicoMetaServer_TS4 costs 771.444 real_cost = 374.179 GeneSilicoMetaServer_TS3-scwrl costs 435.838 real_cost = 229.933 GeneSilicoMetaServer_TS3 costs 436.404 real_cost = 236.736 GeneSilicoMetaServer_TS2-scwrl costs 414.522 real_cost = 148.423 GeneSilicoMetaServer_TS2 costs 419.732 real_cost = 144.876 GeneSilicoMetaServer_TS1-scwrl costs 568.540 real_cost = 165.773 GeneSilicoMetaServer_TS1 costs 573.978 real_cost = 163.947 FUNCTION_TS5-scwrl costs 433.753 real_cost = 148.601 FUNCTION_TS5 costs 434.902 real_cost = 152.241 FUNCTION_TS4-scwrl costs 445.352 real_cost = 212.728 FUNCTION_TS4 costs 452.972 real_cost = 224.427 FUNCTION_TS3-scwrl costs 440.024 real_cost = 211.400 FUNCTION_TS3 costs 436.301 real_cost = 221.622 FUNCTION_TS2-scwrl costs 418.612 real_cost = 170.023 FUNCTION_TS2 costs 431.755 real_cost = 187.689 FUNCTION_TS1-scwrl costs 439.757 real_cost = 224.620 FUNCTION_TS1 costs 444.504 real_cost = 232.814 FUGUE_AL5-scwrl costs 585.643 real_cost = 364.222 FUGUE_AL5 costs 11232.234 real_cost = 423.685 FUGUE_AL4-scwrl costs 567.739 real_cost = 314.450 FUGUE_AL4 costs 10636.511 real_cost = 393.372 FUGUE_AL3-scwrl costs 522.818 real_cost = 201.984 FUGUE_AL3 costs 9589.423 real_cost = 257.421 FUGUE_AL2-scwrl costs 512.484 real_cost = 284.723 FUGUE_AL2 costs 251103.364 real_cost = 350.248 FUGUE_AL1-scwrl costs 491.643 real_cost = 154.862 FUGUE_AL1 costs 7042.278 real_cost = 213.825 FUGMOD_TS5-scwrl costs 541.172 real_cost = 341.486 FUGMOD_TS5 costs 550.181 real_cost = 309.960 FUGMOD_TS4-scwrl costs 479.980 real_cost = 276.752 FUGMOD_TS4 costs 484.001 real_cost = 290.790 FUGMOD_TS3-scwrl costs 442.073 real_cost = 187.048 FUGMOD_TS3 costs 447.806 real_cost = 199.930 FUGMOD_TS2-scwrl costs 446.794 real_cost = 244.614 FUGMOD_TS2 costs 460.057 real_cost = 248.233 FUGMOD_TS1-scwrl costs 417.434 real_cost = 125.625 FUGMOD_TS1 costs 428.418 real_cost = 124.968 FPSOLVER-SERVER_TS5-scwrl costs 474.864 real_cost = 272.538 FPSOLVER-SERVER_TS5 costs 479.775 real_cost = 277.513 FPSOLVER-SERVER_TS4-scwrl costs 474.140 real_cost = 295.447 FPSOLVER-SERVER_TS4 costs 476.579 real_cost = 295.287 FPSOLVER-SERVER_TS3-scwrl costs 457.269 real_cost = 311.558 FPSOLVER-SERVER_TS3 costs 462.663 real_cost = 311.502 FPSOLVER-SERVER_TS2-scwrl costs 478.130 real_cost = 268.808 FPSOLVER-SERVER_TS2 costs 474.358 real_cost = 267.984 FPSOLVER-SERVER_TS1-scwrl costs 486.521 real_cost = 318.238 FPSOLVER-SERVER_TS1 costs 484.820 real_cost = 318.133 FORTE2_AL5-scwrl costs 661.104 real_cost = 308.786 FORTE2_AL5 costs 7558.349 real_cost = 357.136 FORTE2_AL4-scwrl costs 591.127 real_cost = 238.111 FORTE2_AL4 costs 8128.373 real_cost = 299.093 FORTE2_AL3-scwrl costs 687.360 real_cost = 273.532 FORTE2_AL3 costs 6038.389 real_cost = 307.517 FORTE2_AL2-scwrl costs 663.029 real_cost = 356.605 FORTE2_AL2 costs 293676.638 real_cost = 415.768 FORTE2_AL1-scwrl costs 526.907 real_cost = 141.301 FORTE2_AL1 costs 7350.856 real_cost = 197.149 FORTE1_AL5-scwrl costs 687.360 real_cost = 273.532 FORTE1_AL5 costs 6038.389 real_cost = 307.517 FORTE1_AL4-scwrl costs 663.029 real_cost = 356.605 FORTE1_AL4 costs 293676.638 real_cost = 415.768 FORTE1_AL3-scwrl costs 526.907 real_cost = 141.301 FORTE1_AL3 costs 7350.856 real_cost = 197.149 FORTE1_AL2-scwrl costs 622.985 real_cost = 247.492 FORTE1_AL2 costs 285533.476 real_cost = 301.344 FORTE1_AL1-scwrl costs 1025.946 real_cost = 338.404 FORTE1_AL1 costs 15260.807 real_cost = 338.404 FOLDpro_TS5-scwrl costs 485.340 real_cost = 270.445 FOLDpro_TS5 costs 491.028 real_cost = 265.797 FOLDpro_TS4-scwrl costs 492.869 real_cost = 242.699 FOLDpro_TS4 costs 486.092 real_cost = 246.938 FOLDpro_TS3-scwrl costs 456.712 real_cost = 264.735 FOLDpro_TS3 costs 464.799 real_cost = 263.323 FOLDpro_TS2-scwrl costs 467.529 real_cost = 262.341 FOLDpro_TS2 costs 476.856 real_cost = 264.334 FOLDpro_TS1-scwrl costs 464.693 real_cost = 262.341 FOLDpro_TS1 costs 475.248 real_cost = 254.510 FAMS_TS5-scwrl costs 418.612 real_cost = 170.023 FAMS_TS5 costs 431.755 real_cost = 187.689 FAMS_TS4-scwrl costs 449.597 real_cost = 204.233 FAMS_TS4 costs 452.623 real_cost = 185.419 FAMS_TS3-scwrl costs 424.133 real_cost = 174.972 FAMS_TS3 costs 429.675 real_cost = 193.111 FAMS_TS2-scwrl costs 436.223 real_cost = 160.176 FAMS_TS2 costs 439.877 real_cost = 167.862 FAMS_TS1-scwrl costs 491.226 real_cost = 241.386 FAMS_TS1 costs 492.871 real_cost = 258.345 FAMSD_TS5-scwrl costs 445.344 real_cost = 157.489 FAMSD_TS5 costs 434.803 real_cost = 165.021 FAMSD_TS4-scwrl costs 419.207 real_cost = 188.155 FAMSD_TS4 costs 426.232 real_cost = 189.103 FAMSD_TS3-scwrl costs 428.717 real_cost = 230.926 FAMSD_TS3 costs 436.693 real_cost = 233.515 FAMSD_TS2-scwrl costs 436.223 real_cost = 160.176 FAMSD_TS2 costs 439.877 real_cost = 167.862 FAMSD_TS1-scwrl costs 419.371 real_cost = 106.792 FAMSD_TS1 costs 427.797 real_cost = 106.165 Distill_TS5-scwrl costs 1966.556 real_cost = 292.084 Distill_TS4-scwrl costs 1968.041 real_cost = 283.999 Distill_TS3-scwrl costs 1977.923 real_cost = 284.797 Distill_TS2-scwrl costs 1967.385 real_cost = 299.020 Distill_TS1-scwrl costs 1978.930 real_cost = 289.351 CaspIta-FOX_TS5-scwrl costs 677.544 real_cost = 340.094 CaspIta-FOX_TS5 costs 657.940 real_cost = 335.370 CaspIta-FOX_TS4-scwrl costs 521.588 real_cost = 198.630 CaspIta-FOX_TS4 costs 515.339 real_cost = 203.577 CaspIta-FOX_TS3-scwrl costs 490.318 real_cost = 269.607 CaspIta-FOX_TS3 costs 497.722 real_cost = 270.188 CaspIta-FOX_TS2-scwrl costs 581.067 real_cost = 210.621 CaspIta-FOX_TS2 costs 568.169 real_cost = 210.296 CaspIta-FOX_TS1-scwrl costs 663.485 real_cost = 273.795 CaspIta-FOX_TS1 costs 564.474 real_cost = 276.021 CIRCLE_TS5-scwrl costs 506.813 real_cost = 133.196 CIRCLE_TS5 costs 496.535 real_cost = 125.952 CIRCLE_TS4-scwrl costs 516.543 real_cost = 109.897 CIRCLE_TS4 costs 509.969 real_cost = 116.871 CIRCLE_TS3-scwrl costs 424.133 real_cost = 174.972 CIRCLE_TS3 costs 429.675 real_cost = 193.111 CIRCLE_TS2-scwrl costs 571.555 real_cost = 215.052 CIRCLE_TS2 costs 544.458 real_cost = 218.497 CIRCLE_TS1-scwrl costs 449.597 real_cost = 204.233 CIRCLE_TS1 costs 452.623 real_cost = 185.419 Bilab-ENABLE_TS2-scwrl costs 441.286 real_cost = 235.166 Bilab-ENABLE_TS2 costs 441.286 real_cost = 235.166 Bilab-ENABLE_TS1-scwrl costs 522.857 real_cost = 345.426 Bilab-ENABLE_TS1 costs 522.857 real_cost = 345.426 BayesHH_TS1-scwrl costs 463.138 real_cost = 246.383 BayesHH_TS1 costs 471.431 real_cost = 242.928 ABIpro_TS5-scwrl costs 497.354 real_cost = 180.134 ABIpro_TS5 costs 505.496 real_cost = 180.736 ABIpro_TS4-scwrl costs 470.676 real_cost = 174.926 ABIpro_TS4 costs 470.676 real_cost = 174.926 ABIpro_TS3-scwrl costs 501.314 real_cost = 188.302 ABIpro_TS3 costs 494.283 real_cost = 188.258 ABIpro_TS2-scwrl costs 537.439 real_cost = 170.550 ABIpro_TS2 costs 539.676 real_cost = 170.599 ABIpro_TS1-scwrl costs 469.705 real_cost = 207.294 ABIpro_TS1 costs 469.705 real_cost = 207.294 3Dpro_TS5-scwrl costs 456.712 real_cost = 264.735 3Dpro_TS5 costs 464.799 real_cost = 263.323 3Dpro_TS4-scwrl costs 537.439 real_cost = 170.550 3Dpro_TS4 costs 539.676 real_cost = 170.599 3Dpro_TS3-scwrl costs 469.705 real_cost = 207.294 3Dpro_TS3 costs 469.705 real_cost = 207.294 3Dpro_TS2-scwrl costs 464.693 real_cost = 262.341 3Dpro_TS2 costs 475.248 real_cost = 254.510 3Dpro_TS1-scwrl costs 485.340 real_cost = 270.445 3Dpro_TS1 costs 491.028 real_cost = 265.797 3D-JIGSAW_TS5-scwrl costs 631.232 real_cost = 313.060 3D-JIGSAW_TS5 costs 580.078 real_cost = 307.591 3D-JIGSAW_TS4-scwrl costs 564.267 real_cost = 225.802 3D-JIGSAW_TS4 costs 558.808 real_cost = 211.957 3D-JIGSAW_TS3-scwrl costs 582.170 real_cost = 292.303 3D-JIGSAW_TS3 costs 545.767 real_cost = 285.324 3D-JIGSAW_TS2-scwrl costs 577.018 real_cost = 259.568 3D-JIGSAW_TS2 costs 539.529 real_cost = 259.623 3D-JIGSAW_TS1-scwrl costs 590.499 real_cost = 238.716 3D-JIGSAW_TS1 costs 584.985 real_cost = 239.606 3D-JIGSAW_RECOM_TS5-scwrl costs 543.979 real_cost = 270.396 3D-JIGSAW_RECOM_TS5 costs 548.440 real_cost = 273.771 3D-JIGSAW_RECOM_TS4-scwrl costs 569.625 real_cost = 244.537 3D-JIGSAW_RECOM_TS4 costs 584.052 real_cost = 238.806 3D-JIGSAW_RECOM_TS3-scwrl costs 547.183 real_cost = 268.354 3D-JIGSAW_RECOM_TS3 costs 551.835 real_cost = 272.318 3D-JIGSAW_RECOM_TS2-scwrl costs 605.920 real_cost = 278.804 3D-JIGSAW_RECOM_TS2 costs 570.394 real_cost = 281.903 3D-JIGSAW_RECOM_TS1-scwrl costs 564.218 real_cost = 271.974 3D-JIGSAW_RECOM_TS1 costs 570.335 real_cost = 276.634 3D-JIGSAW_POPULUS_TS5-scwrl costs 438.022 real_cost = 219.042 3D-JIGSAW_POPULUS_TS5 costs 438.022 real_cost = 219.042 3D-JIGSAW_POPULUS_TS4-scwrl costs 487.692 real_cost = 265.493 3D-JIGSAW_POPULUS_TS4 costs 487.692 real_cost = 265.493 3D-JIGSAW_POPULUS_TS3-scwrl costs 488.424 real_cost = 266.844 3D-JIGSAW_POPULUS_TS3 costs 488.424 real_cost = 266.844 3D-JIGSAW_POPULUS_TS2-scwrl costs 489.916 real_cost = 270.787 3D-JIGSAW_POPULUS_TS2 costs 489.916 real_cost = 270.787 3D-JIGSAW_POPULUS_TS1-scwrl costs 509.369 real_cost = 283.791 3D-JIGSAW_POPULUS_TS1 costs 489.640 real_cost = 282.829 chimera5-24.pdb.gz costs 458.010 real_cost = 171.004 chimera5-2.pdb.gz costs 506.530 real_cost = 176.848 chimera4-24.pdb.gz costs 334.483 real_cost = 135.570 chimera2-2.pdb.gz costs 538.111 real_cost = 177.709 T0358.try9-opt2.repack-nonPC.pdb.gz costs 370.083 real_cost = 209.626 T0358.try9-opt2.pdb.gz costs 367.739 real_cost = 209.112 T0358.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 389.657 real_cost = 211.196 T0358.try9-opt2.gromacs0.pdb.gz costs 390.231 real_cost = 212.711 T0358.try9-opt1.pdb.gz costs 380.201 real_cost = 206.460 T0358.try9-opt1-scwrl.pdb.gz costs 383.758 real_cost = 204.542 T0358.try8-opt2.repack-nonPC.pdb.gz costs 345.085 real_cost = 131.228 T0358.try8-opt2.pdb.gz costs 341.302 real_cost = 133.776 T0358.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 352.894 real_cost = 130.003 T0358.try8-opt2.gromacs0.pdb.gz costs 350.127 real_cost = 130.448 T0358.try8-opt1.pdb.gz costs 348.348 real_cost = 129.288 T0358.try8-opt1-scwrl.pdb.gz costs 353.558 real_cost = 129.552 T0358.try7-opt2.repack-nonPC.pdb.gz costs 341.753 real_cost = 141.424 T0358.try7-opt2.pdb.gz costs 337.862 real_cost = 140.169 T0358.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 348.021 real_cost = 134.233 T0358.try7-opt2.gromacs0.pdb.gz costs 345.872 real_cost = 133.490 T0358.try7-opt1.pdb.gz costs 341.823 real_cost = 136.908 T0358.try7-opt1-scwrl.pdb.gz costs 349.149 real_cost = 135.301 T0358.try6-opt2.repack-nonPC.pdb.gz costs 372.082 real_cost = 216.702 T0358.try6-opt2.pdb.gz costs 369.260 real_cost = 220.209 T0358.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 398.472 real_cost = 224.251 T0358.try6-opt2.gromacs0.pdb.gz costs 396.320 real_cost = 226.381 T0358.try6-opt1.pdb.gz costs 380.584 real_cost = 216.210 T0358.try6-opt1-scwrl.pdb.gz costs 383.411 real_cost = 215.922 T0358.try5-opt2.repack-nonPC.pdb.gz costs 332.711 real_cost = 159.127 T0358.try5-opt2.pdb.gz costs 328.495 real_cost = 157.947 T0358.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 347.879 real_cost = 159.905 T0358.try5-opt2.gromacs0.pdb.gz costs 346.089 real_cost = 158.702 T0358.try5-opt1.pdb.gz costs 340.388 real_cost = 151.314 T0358.try5-opt1-scwrl.pdb.gz costs 339.457 real_cost = 156.342 T0358.try4-opt2.repack-nonPC.pdb.gz costs 347.313 real_cost = 130.960 T0358.try4-opt2.pdb.gz costs 340.870 real_cost = 131.669 T0358.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 356.933 real_cost = 127.553 T0358.try4-opt2.gromacs0.pdb.gz costs 354.882 real_cost = 125.386 T0358.try4-opt1.pdb.gz costs 351.239 real_cost = 132.279 T0358.try4-opt1-scwrl.pdb.gz costs 353.986 real_cost = 128.663 T0358.try3-opt2.repack-nonPC.pdb.gz costs 341.658 real_cost = 139.889 T0358.try3-opt2.pdb.gz costs 337.688 real_cost = 140.968 T0358.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 352.217 real_cost = 136.681 T0358.try3-opt2.gromacs0.pdb.gz costs 346.597 real_cost = 138.881 T0358.try3-opt1.pdb.gz costs 346.270 real_cost = 143.694 T0358.try3-opt1-scwrl.pdb.gz costs 353.803 real_cost = 143.029 T0358.try28-opt2.repack-nonPC.pdb.gz costs 339.761 real_cost = 135.987 T0358.try28-opt2.pdb.gz costs 333.575 real_cost = 136.713 T0358.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 347.286 real_cost = 134.903 T0358.try28-opt2.gromacs0.pdb.gz costs 344.148 real_cost = 135.383 T0358.try28-opt1-scwrl.pdb.gz costs 345.937 real_cost = 130.283 T0358.try27-opt2.repack-nonPC.pdb.gz costs 339.207 real_cost = 136.019 T0358.try27-opt2.pdb.gz costs 331.066 real_cost = 138.693 T0358.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 346.301 real_cost = 133.145 T0358.try27-opt2.gromacs0.pdb.gz costs 342.410 real_cost = 136.015 T0358.try27-opt1-scwrl.pdb.gz costs 345.196 real_cost = 133.646 T0358.try26-opt2.repack-nonPC.pdb.gz costs 331.207 real_cost = 177.660 T0358.try26-opt2.pdb.gz costs 324.221 real_cost = 175.251 T0358.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 346.258 real_cost = 176.584 T0358.try26-opt2.gromacs0.pdb.gz costs 341.257 real_cost = 174.468 T0358.try26-opt1.pdb.gz costs 325.893 real_cost = 175.400 T0358.try26-opt1-scwrl.pdb.gz costs 334.609 real_cost = 173.519 T0358.try25-opt2.repack-nonPC.pdb.gz costs 331.077 real_cost = 180.754 T0358.try25-opt2.pdb.gz costs 325.802 real_cost = 175.991 T0358.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 342.535 real_cost = 179.267 T0358.try25-opt2.gromacs0.pdb.gz costs 339.939 real_cost = 176.053 T0358.try25-opt1.pdb.gz costs 328.485 real_cost = 172.727 T0358.try25-opt1-scwrl.pdb.gz costs 334.353 real_cost = 173.301 T0358.try24-opt2.repack-nonPC.pdb.gz costs 356.379 real_cost = 132.408 T0358.try24-opt2.pdb.gz costs 354.221 real_cost = 141.239 T0358.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 366.111 real_cost = 137.424 T0358.try24-opt2.gromacs0.pdb.gz costs 363.813 real_cost = 146.189 T0358.try24-opt1.pdb.gz costs 364.155 real_cost = 142.900 T0358.try24-opt1-scwrl.pdb.gz costs 369.492 real_cost = 141.093 T0358.try23-opt2.repack-nonPC.pdb.gz costs 340.734 real_cost = 141.337 T0358.try23-opt2.pdb.gz costs 340.967 real_cost = 136.448 T0358.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 345.648 real_cost = 139.047 T0358.try23-opt2.gromacs0.pdb.gz costs 345.441 real_cost = 135.923 T0358.try23-opt1.pdb.gz costs 350.920 real_cost = 142.725 T0358.try23-opt1-scwrl.pdb.gz costs 350.943 real_cost = 143.437 T0358.try22-opt2.repack-nonPC.pdb.gz costs 354.103 real_cost = 162.740 T0358.try22-opt2.pdb.gz costs 347.711 real_cost = 155.922 T0358.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 360.697 real_cost = 159.055 T0358.try22-opt2.gromacs0.pdb.gz costs 357.976 real_cost = 154.053 T0358.try22-opt1.pdb.gz costs 354.337 real_cost = 156.147 T0358.try22-opt1-scwrl.pdb.gz costs 359.565 real_cost = 159.782 T0358.try21-opt2.repack-nonPC.pdb.gz costs 340.493 real_cost = 174.068 T0358.try21-opt2.pdb.gz costs 336.661 real_cost = 175.784 T0358.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 352.466 real_cost = 180.120 T0358.try21-opt2.gromacs0.pdb.gz costs 349.513 real_cost = 178.450 T0358.try21-opt1.pdb.gz costs 344.730 real_cost = 171.265 T0358.try21-opt1-scwrl.pdb.gz costs 347.014 real_cost = 166.598 T0358.try20-opt2.pdb.gz costs 326.905 real_cost = 173.933 T0358.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 344.658 real_cost = 179.643 T0358.try20-opt2.gromacs0.pdb.gz costs 345.022 real_cost = 171.122 T0358.try20-opt1.pdb.gz costs 332.523 real_cost = 176.796 T0358.try20-opt1-scwrl.pdb.gz costs 336.182 real_cost = 179.904 T0358.try2-opt2.repack-nonPC.pdb.gz costs 339.665 real_cost = 152.176 T0358.try2-opt2.pdb.gz costs 336.605 real_cost = 143.576 T0358.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 347.802 real_cost = 148.272 T0358.try2-opt2.gromacs0.pdb.gz costs 345.317 real_cost = 145.567 T0358.try2-opt1.pdb.gz costs 343.630 real_cost = 132.944 T0358.try2-opt1-scwrl.pdb.gz costs 346.107 real_cost = 138.747 T0358.try19-opt2.repack-nonPC.pdb.gz costs 335.889 real_cost = 181.736 T0358.try19-opt2.pdb.gz costs 330.465 real_cost = 181.850 T0358.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 351.761 real_cost = 149.451 T0358.try19-opt2.gromacs0.pdb.gz costs 348.629 real_cost = 178.918 T0358.try19-opt1.pdb.gz costs 342.952 real_cost = 187.752 T0358.try19-opt1-scwrl.pdb.gz costs 355.642 real_cost = 186.347 T0358.try18-opt2.repack-nonPC.pdb.gz costs 349.380 real_cost = 140.726 T0358.try18-opt2.pdb.gz costs 344.912 real_cost = 140.577 T0358.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 361.215 real_cost = 132.103 T0358.try18-opt2.gromacs0.pdb.gz costs 359.942 real_cost = 131.008 T0358.try18-opt1.pdb.gz costs 354.998 real_cost = 143.145 T0358.try18-opt1-scwrl.pdb.gz costs 356.298 real_cost = 140.661 T0358.try17-opt2.repack-nonPC.pdb.gz costs 341.362 real_cost = 177.933 T0358.try17-opt2.pdb.gz costs 338.162 real_cost = 176.681 T0358.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 355.074 real_cost = 183.724 T0358.try17-opt2.gromacs0.pdb.gz costs 353.663 real_cost = 183.548 T0358.try17-opt1.pdb.gz costs 343.493 real_cost = 172.955 T0358.try17-opt1-scwrl.pdb.gz costs 350.418 real_cost = 176.164 T0358.try16-opt2.repack-nonPC.pdb.gz costs 356.051 real_cost = 139.748 T0358.try16-opt2.pdb.gz costs 352.875 real_cost = 144.129 T0358.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 364.499 real_cost = 142.824 T0358.try16-opt2.gromacs0.pdb.gz costs 362.863 real_cost = 140.238 T0358.try16-opt1.pdb.gz costs 360.649 real_cost = 135.562 T0358.try16-opt1-scwrl.pdb.gz costs 364.797 real_cost = 137.421 T0358.try15-opt2.repack-nonPC.pdb.gz costs 374.760 real_cost = 209.940 T0358.try15-opt2.pdb.gz costs 370.874 real_cost = 209.265 T0358.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 392.274 real_cost = 221.287 T0358.try15-opt2.gromacs0.pdb.gz costs 389.363 real_cost = 215.949 T0358.try15-opt1.pdb.gz costs 379.241 real_cost = 208.587 T0358.try15-opt1-scwrl.pdb.gz costs 381.167 real_cost = 205.410 T0358.try14-opt2.repack-nonPC.pdb.gz costs 378.909 real_cost = 223.351 T0358.try14-opt2.pdb.gz costs 379.330 real_cost = 213.464 T0358.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 393.417 real_cost = 217.956 T0358.try14-opt2.gromacs0.pdb.gz costs 392.691 real_cost = 211.545 T0358.try14-opt1.pdb.gz costs 387.957 real_cost = 214.858 T0358.try14-opt1-scwrl.pdb.gz costs 394.709 real_cost = 213.252 T0358.try13-opt2.repack-nonPC.pdb.gz costs 339.669 real_cost = 183.452 T0358.try13-opt2.pdb.gz costs 337.043 real_cost = 185.145 T0358.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 348.304 real_cost = 185.255 T0358.try13-opt2.gromacs0.pdb.gz costs 345.564 real_cost = 186.485 T0358.try13-opt1.pdb.gz costs 343.740 real_cost = 183.091 T0358.try13-opt1-scwrl.pdb.gz costs 350.136 real_cost = 175.419 T0358.try12-opt2.repack-nonPC.pdb.gz costs 381.751 real_cost = 215.949 T0358.try12-opt2.pdb.gz costs 380.423 real_cost = 215.543 T0358.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 393.728 real_cost = 216.229 T0358.try12-opt2.gromacs0.pdb.gz costs 392.061 real_cost = 213.591 T0358.try12-opt1.pdb.gz costs 385.169 real_cost = 211.115 T0358.try12-opt1-scwrl.pdb.gz costs 385.990 real_cost = 209.611 T0358.try11-opt2.repack-nonPC.pdb.gz costs 341.897 real_cost = 136.372 T0358.try11-opt2.pdb.gz costs 335.910 real_cost = 136.060 T0358.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 346.729 real_cost = 132.436 T0358.try11-opt2.gromacs0.pdb.gz costs 344.738 real_cost = 132.102 T0358.try11-opt1.pdb.gz costs 337.545 real_cost = 137.233 T0358.try11-opt1-scwrl.pdb.gz costs 347.834 real_cost = 130.357 T0358.try10-opt2.repack-nonPC.pdb.gz costs 369.334 real_cost = 212.655 T0358.try10-opt2.pdb.gz costs 367.099 real_cost = 210.917 T0358.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 394.416 real_cost = 222.131 T0358.try10-opt2.gromacs0.pdb.gz costs 391.137 real_cost = 215.461 T0358.try10-opt1.pdb.gz costs 381.085 real_cost = 211.515 T0358.try10-opt1-scwrl.pdb.gz costs 381.624 real_cost = 211.682 T0358.try1-opt2.repack-nonPC.pdb.gz costs 341.391 real_cost = 155.032 T0358.try1-opt2.pdb.gz costs 338.644 real_cost = 154.218 T0358.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 352.112 real_cost = 160.111 T0358.try1-opt2.gromacs0.pdb.gz costs 352.051 real_cost = 153.647 T0358.try1-opt1.pdb.gz costs 346.417 real_cost = 157.882 T0358.try1-opt1-scwrl.pdb.gz costs 351.117 real_cost = 157.455 ../model5.ts-submitted costs 335.965 real_cost = 136.054 ../model4.ts-submitted costs 331.080 real_cost = 138.825 ../model3.ts-submitted costs 345.672 real_cost = 139.000 ../model2.ts-submitted costs 328.528 real_cost = 157.965 ../model1.ts-submitted costs 324.964 real_cost = 175.277 align5 costs 923.638 real_cost = 264.536 align4 costs 885.178 real_cost = 315.629 align3 costs 706.394 real_cost = 118.279 align2 costs 815.195 real_cost = 187.277 align1 costs 1080.309 real_cost = 268.249 T0358.try1-opt2.pdb costs 338.644 real_cost = 153.826 model5-scwrl costs 350.183 real_cost = 130.587 model5.ts-submitted costs 335.965 real_cost = 136.054 model4-scwrl costs 342.862 real_cost = 131.762 model4.ts-submitted costs 331.080 real_cost = 138.825 model3-scwrl costs 347.002 real_cost = 136.898 model3.ts-submitted costs 345.672 real_cost = 139.000 model2-scwrl costs 334.020 real_cost = 157.577 model2.ts-submitted costs 328.528 real_cost = 157.965 model1-scwrl costs 336.002 real_cost = 174.625 model1.ts-submitted costs 324.964 real_cost = 175.270 2hjjA costs 554.986 real_cost = -860.200 # command:CPU_time= 125.884 sec, elapsed time= 730.212 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/T0358'