make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0349' 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/T0349.} ;\ 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/T0349/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hfvA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174016401 # 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= 6.06808 sec, elapsed time= 12.3924 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= 6.14407 sec, elapsed time= 12.5667 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0349 numbered 1 through 75 Created new target T0349 from T0349.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# Found a chain break before 1 # copying to AlignedFragments data structure # 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 T0349.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 T0349.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 T0349.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= 11.0603 sec, elapsed time= 23.962 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 73 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -47.6667 # GDT_score(maxd=8,maxw=2.9)= -45.8932 # GDT_score(maxd=8,maxw=3.2)= -43.3792 # GDT_score(maxd=8,maxw=3.5)= -41.0324 # GDT_score(maxd=10,maxw=3.8)= -45.8208 # GDT_score(maxd=10,maxw=4)= -44.286 # GDT_score(maxd=10,maxw=4.2)= -42.8755 # GDT_score(maxd=12,maxw=4.3)= -47.3579 # GDT_score(maxd=12,maxw=4.5)= -45.9049 # GDT_score(maxd=12,maxw=4.7)= -44.5756 # GDT_score(maxd=14,maxw=5.2)= -45.2092 # GDT_score(maxd=14,maxw=5.5)= -43.3251 # 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 4.384 10.365 -5.704 1.00 0.00 ATOM 2 CA MET A 1 5.261 9.250 -5.243 1.00 0.00 ATOM 3 CB MET A 1 5.911 9.612 -3.896 1.00 0.00 ATOM 4 CG MET A 1 6.817 8.534 -3.319 1.00 0.00 ATOM 5 SD MET A 1 7.596 9.090 -1.784 1.00 0.00 ATOM 6 CE MET A 1 6.358 8.753 -0.626 1.00 0.00 ATOM 7 O MET A 1 3.403 7.899 -4.577 1.00 0.00 ATOM 8 C MET A 1 4.455 7.959 -5.204 1.00 0.00 ATOM 9 N ARG A 2 4.986 6.941 -5.871 1.00 0.00 ATOM 10 CA ARG A 2 4.297 5.652 -5.913 1.00 0.00 ATOM 11 CB ARG A 2 4.311 5.071 -7.325 1.00 0.00 ATOM 12 CG ARG A 2 3.378 5.773 -8.303 1.00 0.00 ATOM 13 CD ARG A 2 3.452 5.106 -9.666 1.00 0.00 ATOM 14 NE ARG A 2 4.738 5.354 -10.312 1.00 0.00 ATOM 15 CZ ARG A 2 5.094 6.485 -10.913 1.00 0.00 ATOM 16 NH1 ARG A 2 4.270 7.521 -10.977 1.00 0.00 ATOM 17 NH2 ARG A 2 6.296 6.575 -11.450 1.00 0.00 ATOM 18 O ARG A 2 6.225 4.542 -5.048 1.00 0.00 ATOM 19 C ARG A 2 5.020 4.742 -4.937 1.00 0.00 ATOM 20 N GLU A 3 4.304 4.235 -3.947 1.00 0.00 ATOM 21 CA GLU A 3 4.908 3.378 -2.937 1.00 0.00 ATOM 22 CB GLU A 3 4.884 4.038 -1.556 1.00 0.00 ATOM 23 CG GLU A 3 3.498 4.457 -1.085 1.00 0.00 ATOM 24 CD GLU A 3 3.551 5.074 0.285 1.00 0.00 ATOM 25 OE1 GLU A 3 4.631 5.238 0.801 1.00 0.00 ATOM 26 OE2 GLU A 3 2.523 5.482 0.772 1.00 0.00 ATOM 27 O GLU A 3 3.024 1.896 -2.960 1.00 0.00 ATOM 28 C GLU A 3 4.241 2.012 -2.822 1.00 0.00 ATOM 29 N LEU A 4 5.089 0.938 -2.480 1.00 0.00 ATOM 30 CA LEU A 4 4.583 -0.417 -2.315 1.00 0.00 ATOM 31 CB LEU A 4 5.237 -1.347 -3.345 1.00 0.00 ATOM 32 CG LEU A 4 4.802 -2.815 -3.269 1.00 0.00 ATOM 33 CD1 LEU A 4 3.310 -2.933 -3.552 1.00 0.00 ATOM 34 CD2 LEU A 4 5.605 -3.637 -4.265 1.00 0.00 ATOM 35 O LEU A 4 6.008 -1.011 -0.471 1.00 0.00 ATOM 36 C LEU A 4 4.846 -0.871 -0.872 1.00 0.00 ATOM 37 N LEU A 5 3.759 -1.023 -0.142 1.00 0.00 ATOM 38 CA LEU A 5 3.829 -1.393 1.290 1.00 0.00 ATOM 39 CB LEU A 5 2.945 -0.473 2.142 1.00 0.00 ATOM 40 CG LEU A 5 2.997 1.015 1.758 1.00 0.00 ATOM 41 CD1 LEU A 5 2.209 1.866 2.728 1.00 0.00 ATOM 42 CD2 LEU A 5 4.382 1.592 1.821 1.00 0.00 ATOM 43 O LEU A 5 2.354 -3.225 0.836 1.00 0.00 ATOM 44 C LEU A 5 3.337 -2.825 1.456 1.00 0.00 ATOM 45 N ARG A 6 3.951 -3.556 2.381 1.00 0.00 ATOM 46 CA ARG A 6 3.495 -4.915 2.718 1.00 0.00 ATOM 47 CB ARG A 6 4.717 -5.621 3.176 1.00 0.00 ATOM 48 CG ARG A 6 5.332 -6.203 1.911 1.00 0.00 ATOM 49 CD ARG A 6 4.398 -7.172 1.219 1.00 0.00 ATOM 50 NE ARG A 6 4.512 -8.527 1.752 1.00 0.00 ATOM 51 CZ ARG A 6 3.880 -9.583 1.251 1.00 0.00 ATOM 52 NH1 ARG A 6 3.078 -9.447 0.201 1.00 0.00 ATOM 53 NH2 ARG A 6 4.066 -10.785 1.786 1.00 0.00 ATOM 54 O ARG A 6 3.383 -4.435 5.086 1.00 0.00 ATOM 55 C ARG A 6 2.812 -4.862 4.084 1.00 0.00 ATOM 56 N THR A 7 1.578 -5.352 4.083 1.00 0.00 ATOM 57 CA THR A 7 0.771 -5.420 5.304 1.00 0.00 ATOM 58 CB THR A 7 -0.703 -4.884 5.136 1.00 0.00 ATOM 59 CG2 THR A 7 -1.387 -4.760 6.465 1.00 0.00 ATOM 60 OG1 THR A 7 -0.717 -3.603 4.508 1.00 0.00 ATOM 61 O THR A 7 0.347 -7.748 4.838 1.00 0.00 ATOM 62 C THR A 7 0.565 -6.886 5.692 1.00 0.00 ATOM 63 N ASN A 8 0.772 -7.155 6.959 1.00 0.00 ATOM 64 CA ASN A 8 0.679 -8.518 7.534 1.00 0.00 ATOM 65 CB ASN A 8 1.971 -8.931 8.217 1.00 0.00 ATOM 66 CG ASN A 8 3.151 -8.999 7.289 1.00 0.00 ATOM 67 ND2 ASN A 8 4.109 -8.141 7.531 1.00 0.00 ATOM 68 OD1 ASN A 8 3.228 -9.866 6.411 1.00 0.00 ATOM 69 O ASN A 8 -0.919 -9.805 8.754 1.00 0.00 ATOM 70 C ASN A 8 -0.479 -8.680 8.521 1.00 0.00 ATOM 71 N ASP A 9 -0.966 -7.569 9.057 1.00 0.00 ATOM 72 CA ASP A 9 -2.047 -7.584 10.051 1.00 0.00 ATOM 73 CB ASP A 9 -1.470 -7.815 11.465 1.00 0.00 ATOM 74 CG ASP A 9 -0.598 -6.676 12.001 1.00 0.00 ATOM 75 OD1 ASP A 9 -0.609 -5.590 11.398 1.00 0.00 ATOM 76 OD2 ASP A 9 -0.133 -6.824 13.137 1.00 0.00 ATOM 77 O ASP A 9 -2.591 -5.340 9.291 1.00 0.00 ATOM 78 C ASP A 9 -2.894 -6.292 10.014 1.00 0.00 ATOM 79 N ALA A 10 -3.944 -6.304 10.829 1.00 0.00 ATOM 80 CA ALA A 10 -4.878 -5.162 10.893 1.00 0.00 ATOM 81 CB ALA A 10 -6.070 -5.556 11.796 1.00 0.00 ATOM 82 O ALA A 10 -4.602 -2.818 10.984 1.00 0.00 ATOM 83 C ALA A 10 -4.242 -3.883 11.436 1.00 0.00 ATOM 84 N VAL A 11 -3.251 -4.002 12.323 1.00 0.00 ATOM 85 CA VAL A 11 -2.457 -2.830 12.771 1.00 0.00 ATOM 86 CB VAL A 11 -1.415 -3.227 13.831 1.00 0.00 ATOM 87 CG1 VAL A 11 -0.485 -2.060 14.126 1.00 0.00 ATOM 88 CG2 VAL A 11 -2.100 -3.695 15.106 1.00 0.00 ATOM 89 O VAL A 11 -1.740 -0.980 11.434 1.00 0.00 ATOM 90 C VAL A 11 -1.715 -2.191 11.589 1.00 0.00 ATOM 91 N LEU A 12 -1.061 -2.995 10.734 1.00 0.00 ATOM 92 CA LEU A 12 -0.425 -2.462 9.527 1.00 0.00 ATOM 93 CB LEU A 12 0.299 -3.605 8.806 1.00 0.00 ATOM 94 CG LEU A 12 1.829 -3.584 8.921 1.00 0.00 ATOM 95 CD1 LEU A 12 2.255 -2.685 10.073 1.00 0.00 ATOM 96 CD2 LEU A 12 2.345 -5.002 9.124 1.00 0.00 ATOM 97 O LEU A 12 -1.152 -0.694 8.068 1.00 0.00 ATOM 98 C LEU A 12 -1.399 -1.799 8.555 1.00 0.00 ATOM 99 N LEU A 13 -2.578 -2.393 8.478 1.00 0.00 ATOM 100 CA LEU A 13 -3.713 -1.843 7.714 1.00 0.00 ATOM 101 CB LEU A 13 -4.875 -2.844 7.700 1.00 0.00 ATOM 102 CG LEU A 13 -5.984 -2.543 6.684 1.00 0.00 ATOM 103 CD1 LEU A 13 -6.923 -3.736 6.568 1.00 0.00 ATOM 104 CD2 LEU A 13 -6.745 -1.297 7.115 1.00 0.00 ATOM 105 O LEU A 13 -4.439 0.443 7.588 1.00 0.00 ATOM 106 C LEU A 13 -4.190 -0.521 8.323 1.00 0.00 ATOM 107 N SER A 14 -4.295 -0.477 9.637 1.00 0.00 ATOM 108 CA SER A 14 -4.806 0.720 10.328 1.00 0.00 ATOM 109 CB SER A 14 -5.015 0.399 11.795 1.00 0.00 ATOM 110 OG SER A 14 -6.045 -0.530 11.989 1.00 0.00 ATOM 111 O SER A 14 -4.303 3.035 10.075 1.00 0.00 ATOM 112 C SER A 14 -3.853 1.906 10.196 1.00 0.00 ATOM 113 N ALA A 15 -2.562 1.613 10.133 1.00 0.00 ATOM 114 CA ALA A 15 -1.539 2.643 9.888 1.00 0.00 ATOM 115 CB ALA A 15 -0.143 2.142 9.951 1.00 0.00 ATOM 116 O ALA A 15 -1.781 4.493 8.382 1.00 0.00 ATOM 117 C ALA A 15 -1.777 3.277 8.518 1.00 0.00 ATOM 118 N VAL A 16 -2.001 2.458 7.479 1.00 0.00 ATOM 119 CA VAL A 16 -2.377 2.986 6.167 1.00 0.00 ATOM 120 CB VAL A 16 -2.408 1.785 5.135 1.00 0.00 ATOM 121 CG1 VAL A 16 -2.855 2.290 3.766 1.00 0.00 ATOM 122 CG2 VAL A 16 -1.028 1.134 5.018 1.00 0.00 ATOM 123 O VAL A 16 -3.839 4.820 5.627 1.00 0.00 ATOM 124 C VAL A 16 -3.705 3.760 6.232 1.00 0.00 ATOM 125 N GLY A 17 -4.667 3.242 6.987 1.00 0.00 ATOM 126 CA GLY A 17 -5.960 3.913 7.092 1.00 0.00 ATOM 127 O GLY A 17 -6.239 6.297 7.129 1.00 0.00 ATOM 128 C GLY A 17 -5.757 5.310 7.671 1.00 0.00 ATOM 129 N ALA A 18 -5.046 5.406 8.804 1.00 0.00 ATOM 130 CA ALA A 18 -4.803 6.710 9.416 1.00 0.00 ATOM 131 CB ALA A 18 -4.072 6.626 10.720 1.00 0.00 ATOM 132 O ALA A 18 -4.230 8.816 8.411 1.00 0.00 ATOM 133 C ALA A 18 -4.032 7.601 8.449 1.00 0.00 ATOM 134 N LEU A 19 -3.134 6.988 7.632 1.00 0.00 ATOM 135 CA LEU A 19 -2.338 7.725 6.659 1.00 0.00 ATOM 136 CB LEU A 19 -1.506 6.829 5.824 1.00 0.00 ATOM 137 CG LEU A 19 -0.815 7.438 4.635 1.00 0.00 ATOM 138 CD1 LEU A 19 0.152 8.522 5.101 1.00 0.00 ATOM 139 CD2 LEU A 19 -0.055 6.346 3.842 1.00 0.00 ATOM 140 O LEU A 19 -3.078 9.626 5.359 1.00 0.00 ATOM 141 C LEU A 19 -3.225 8.441 5.657 1.00 0.00 ATOM 142 N LEU A 20 -4.117 7.629 5.128 1.00 0.00 ATOM 143 CA LEU A 20 -5.064 8.091 4.105 1.00 0.00 ATOM 144 CB LEU A 20 -5.825 6.878 3.541 1.00 0.00 ATOM 145 CG LEU A 20 -6.824 7.194 2.436 1.00 0.00 ATOM 146 CD1 LEU A 20 -6.130 7.618 1.150 1.00 0.00 ATOM 147 CD2 LEU A 20 -7.704 5.967 2.197 1.00 0.00 ATOM 148 O LEU A 20 -6.314 10.126 3.930 1.00 0.00 ATOM 149 C LEU A 20 -6.004 9.179 4.641 1.00 0.00 ATOM 150 N ASP A 21 -6.369 9.073 5.916 1.00 0.00 ATOM 151 CA ASP A 21 -7.283 10.047 6.544 1.00 0.00 ATOM 152 CB ASP A 21 -7.672 9.590 7.952 1.00 0.00 ATOM 153 CG ASP A 21 -8.638 8.414 7.987 1.00 0.00 ATOM 154 OD1 ASP A 21 -9.196 8.097 6.963 1.00 0.00 ATOM 155 OD2 ASP A 21 -8.695 7.750 8.994 1.00 0.00 ATOM 156 O ASP A 21 -7.343 12.450 6.319 1.00 0.00 ATOM 157 C ASP A 21 -6.678 11.459 6.617 1.00 0.00 ATOM 158 N GLY A 22 -5.326 11.476 7.036 1.00 0.00 ATOM 159 CA GLY A 22 -4.624 12.761 7.147 1.00 0.00 ATOM 160 O GLY A 22 -3.792 14.519 5.807 1.00 0.00 ATOM 161 C GLY A 22 -4.061 13.317 5.835 1.00 0.00 ATOM 162 N ALA A 23 -3.537 12.438 4.994 1.00 0.00 ATOM 163 CA ALA A 23 -2.928 12.847 3.710 1.00 0.00 ATOM 164 CB ALA A 23 -1.511 12.293 3.616 1.00 0.00 ATOM 165 O ALA A 23 -4.776 11.755 2.672 1.00 0.00 ATOM 166 C ALA A 23 -3.821 12.511 2.526 1.00 0.00 ATOM 167 N ASP A 24 -3.518 13.051 1.353 1.00 0.00 ATOM 168 CA ASP A 24 -4.239 12.742 0.126 1.00 0.00 ATOM 169 CB ASP A 24 -4.253 13.948 -0.815 1.00 0.00 ATOM 170 CG ASP A 24 -5.004 13.721 -2.120 1.00 0.00 ATOM 171 OD1 ASP A 24 -5.416 12.610 -2.360 1.00 0.00 ATOM 172 OD2 ASP A 24 -5.298 14.683 -2.788 1.00 0.00 ATOM 173 O ASP A 24 -2.573 11.610 -1.283 1.00 0.00 ATOM 174 C ASP A 24 -3.578 11.545 -0.586 1.00 0.00 ATOM 175 N ILE A 25 -4.163 10.378 -0.426 1.00 0.00 ATOM 176 CA ILE A 25 -3.562 9.183 -1.050 1.00 0.00 ATOM 177 CB ILE A 25 -3.386 8.033 -0.041 1.00 0.00 ATOM 178 CG1 ILE A 25 -2.685 8.536 1.225 1.00 0.00 ATOM 179 CG2 ILE A 25 -2.605 6.889 -0.667 1.00 0.00 ATOM 180 CD1 ILE A 25 -1.305 9.099 0.974 1.00 0.00 ATOM 181 O ILE A 25 -5.638 8.462 -2.040 1.00 0.00 ATOM 182 C ILE A 25 -4.452 8.730 -2.215 1.00 0.00 ATOM 183 N GLY A 26 -3.762 8.382 -3.302 1.00 0.00 ATOM 184 CA GLY A 26 -4.419 7.775 -4.464 1.00 0.00 ATOM 185 O GLY A 26 -3.027 5.913 -5.054 1.00 0.00 ATOM 186 C GLY A 26 -4.082 6.283 -4.526 1.00 0.00 ATOM 187 N HIS A 27 -5.003 5.371 -3.996 1.00 0.00 ATOM 188 CA HIS A 27 -4.822 3.911 -4.014 1.00 0.00 ATOM 189 CB HIS A 27 -5.900 3.188 -3.208 1.00 0.00 ATOM 190 CG HIS A 27 -5.903 3.487 -1.709 1.00 0.00 ATOM 191 CD2 HIS A 27 -4.974 4.097 -0.979 1.00 0.00 ATOM 192 ND1 HIS A 27 -6.888 3.151 -0.896 1.00 0.00 ATOM 193 CE1 HIS A 27 -6.598 3.609 0.320 1.00 0.00 ATOM 194 NE2 HIS A 27 -5.394 4.167 0.282 1.00 0.00 ATOM 195 O HIS A 27 -5.735 3.646 -6.218 1.00 0.00 ATOM 196 C HIS A 27 -4.840 3.353 -5.432 1.00 0.00 ATOM 197 N LEU A 28 -3.776 2.623 -5.764 1.00 0.00 ATOM 198 CA LEU A 28 -3.679 1.952 -7.067 1.00 0.00 ATOM 199 CB LEU A 28 -2.259 2.032 -7.653 1.00 0.00 ATOM 200 CG LEU A 28 -1.806 3.465 -7.960 1.00 0.00 ATOM 201 CD1 LEU A 28 -0.328 3.470 -8.367 1.00 0.00 ATOM 202 CD2 LEU A 28 -2.655 4.058 -9.098 1.00 0.00 ATOM 203 O LEU A 28 -5.070 0.043 -7.488 1.00 0.00 ATOM 204 C LEU A 28 -4.109 0.495 -6.898 1.00 0.00 ATOM 205 N VAL A 29 -3.457 -0.245 -6.009 1.00 0.00 ATOM 206 CA VAL A 29 -3.788 -1.677 -5.805 1.00 0.00 ATOM 207 CB VAL A 29 -2.914 -2.572 -6.718 1.00 0.00 ATOM 208 CG1 VAL A 29 -3.324 -4.026 -6.569 1.00 0.00 ATOM 209 CG2 VAL A 29 -3.026 -2.130 -8.173 1.00 0.00 ATOM 210 O VAL A 29 -2.523 -1.976 -3.802 1.00 0.00 ATOM 211 C VAL A 29 -3.615 -2.091 -4.342 1.00 0.00 ATOM 212 N LEU A 30 -4.722 -2.484 -3.586 1.00 0.00 ATOM 213 CA LEU A 30 -6.057 -2.473 -4.234 1.00 0.00 ATOM 214 CB LEU A 30 -6.785 -3.817 -4.041 1.00 0.00 ATOM 215 CG LEU A 30 -6.185 -5.031 -4.757 1.00 0.00 ATOM 216 CD1 LEU A 30 -6.753 -6.310 -4.142 1.00 0.00 ATOM 217 CD2 LEU A 30 -6.547 -4.993 -6.247 1.00 0.00 ATOM 218 O LEU A 30 -6.813 -0.854 -2.608 1.00 0.00 ATOM 219 C LEU A 30 -6.969 -1.362 -3.710 1.00 0.00 ATOM 220 N ASP A 31 -7.870 -0.933 -4.588 1.00 0.00 ATOM 221 CA ASP A 31 -8.742 0.210 -4.279 1.00 0.00 ATOM 222 CB ASP A 31 -8.464 1.315 -5.322 1.00 0.00 ATOM 223 CG ASP A 31 -9.326 2.581 -5.170 1.00 0.00 ATOM 224 OD1 ASP A 31 -10.161 2.611 -4.253 1.00 0.00 ATOM 225 OD2 ASP A 31 -9.247 3.430 -6.092 1.00 0.00 ATOM 226 O ASP A 31 -10.633 -0.646 -3.088 1.00 0.00 ATOM 227 C ASP A 31 -10.213 -0.205 -4.153 1.00 0.00 ATOM 228 N GLN A 32 -10.965 0.079 -5.291 1.00 0.00 ATOM 229 CA GLN A 32 -12.424 -0.166 -5.354 1.00 0.00 ATOM 230 CB GLN A 32 -12.732 -1.644 -5.094 1.00 0.00 ATOM 231 CG GLN A 32 -14.203 -2.002 -5.214 1.00 0.00 ATOM 232 CD GLN A 32 -14.724 -1.841 -6.627 1.00 0.00 ATOM 233 OE1 GLN A 32 -14.081 -2.257 -7.594 1.00 0.00 ATOM 234 NE2 GLN A 32 -15.897 -1.228 -6.758 1.00 0.00 ATOM 235 O GLN A 32 -13.022 0.423 -3.122 1.00 0.00 ATOM 236 C GLN A 32 -13.058 0.758 -4.303 1.00 0.00 ATOM 237 N ASN A 33 -13.553 1.913 -4.729 1.00 0.00 ATOM 238 CA ASN A 33 -14.069 2.985 -3.833 1.00 0.00 ATOM 239 CB ASN A 33 -14.738 4.093 -4.624 1.00 0.00 ATOM 240 CG ASN A 33 -13.774 4.959 -5.387 1.00 0.00 ATOM 241 ND2 ASN A 33 -14.306 5.728 -6.301 1.00 0.00 ATOM 242 OD1 ASN A 33 -12.571 4.987 -5.099 1.00 0.00 ATOM 243 O ASN A 33 -15.608 3.198 -2.002 1.00 0.00 ATOM 244 C ASN A 33 -15.134 2.449 -2.870 1.00 0.00 ATOM 245 N MET A 34 -15.558 1.123 -3.016 1.00 0.00 ATOM 246 CA MET A 34 -16.573 0.554 -2.133 1.00 0.00 ATOM 247 CB MET A 34 -17.305 -0.434 -3.040 1.00 0.00 ATOM 248 CG MET A 34 -18.016 0.206 -4.224 1.00 0.00 ATOM 249 SD MET A 34 -19.272 1.399 -3.718 1.00 0.00 ATOM 250 CE MET A 34 -20.490 0.314 -2.978 1.00 0.00 ATOM 251 O MET A 34 -16.685 -0.126 0.194 1.00 0.00 ATOM 252 C MET A 34 -16.069 -0.211 -0.872 1.00 0.00 ATOM 253 N SER A 35 -14.967 -0.954 -1.018 1.00 0.00 ATOM 254 CA SER A 35 -14.465 -1.899 0.009 1.00 0.00 ATOM 255 CB SER A 35 -14.898 -3.333 -0.451 1.00 0.00 ATOM 256 OG SER A 35 -14.357 -4.315 0.394 1.00 0.00 ATOM 257 O SER A 35 -12.063 -2.071 -0.241 1.00 0.00 ATOM 258 C SER A 35 -13.002 -1.655 0.417 1.00 0.00 ATOM 259 N ILE A 36 -12.867 -1.048 1.595 1.00 0.00 ATOM 260 CA ILE A 36 -11.532 -0.838 2.204 1.00 0.00 ATOM 261 CB ILE A 36 -11.631 -0.057 3.527 1.00 0.00 ATOM 262 CG1 ILE A 36 -12.098 1.378 3.266 1.00 0.00 ATOM 263 CG2 ILE A 36 -10.293 -0.062 4.250 1.00 0.00 ATOM 264 CD1 ILE A 36 -12.482 2.133 4.519 1.00 0.00 ATOM 265 O ILE A 36 -9.601 -2.289 2.253 1.00 0.00 ATOM 266 C ILE A 36 -10.808 -2.172 2.464 1.00 0.00 ATOM 267 N LEU A 37 -11.533 -3.056 3.132 1.00 0.00 ATOM 268 CA LEU A 37 -10.985 -4.342 3.561 1.00 0.00 ATOM 269 CB LEU A 37 -12.042 -5.132 4.343 1.00 0.00 ATOM 270 CG LEU A 37 -12.398 -4.559 5.720 1.00 0.00 ATOM 271 CD1 LEU A 37 -13.575 -5.322 6.315 1.00 0.00 ATOM 272 CD2 LEU A 37 -11.186 -4.641 6.635 1.00 0.00 ATOM 273 O LEU A 37 -9.339 -5.665 2.412 1.00 0.00 ATOM 274 C LEU A 37 -10.447 -5.128 2.365 1.00 0.00 ATOM 275 N GLU A 38 -11.230 -5.196 1.285 1.00 0.00 ATOM 276 CA GLU A 38 -10.805 -5.914 0.088 1.00 0.00 ATOM 277 CB GLU A 38 -11.762 -5.844 -1.027 1.00 0.00 ATOM 278 CG GLU A 38 -11.958 -4.476 -1.655 1.00 0.00 ATOM 279 CD GLU A 38 -12.798 -4.523 -2.921 1.00 0.00 ATOM 280 OE1 GLU A 38 -13.986 -4.922 -2.850 1.00 0.00 ATOM 281 OE2 GLU A 38 -12.263 -4.156 -3.992 1.00 0.00 ATOM 282 O GLU A 38 -8.744 -5.985 -1.131 1.00 0.00 ATOM 283 C GLU A 38 -9.593 -5.278 -0.571 1.00 0.00 ATOM 284 N GLY A 39 -9.524 -3.929 -0.533 1.00 0.00 ATOM 285 CA GLY A 39 -8.386 -3.230 -1.111 1.00 0.00 ATOM 286 O GLY A 39 -6.120 -3.996 -1.032 1.00 0.00 ATOM 287 C GLY A 39 -7.114 -3.622 -0.398 1.00 0.00 ATOM 288 N SER A 40 -7.220 -3.561 0.990 1.00 0.00 ATOM 289 CA SER A 40 -6.106 -4.035 1.798 1.00 0.00 ATOM 290 CB SER A 40 -5.679 -2.970 2.810 1.00 0.00 ATOM 291 OG SER A 40 -4.638 -3.463 3.647 1.00 0.00 ATOM 292 O SER A 40 -7.009 -5.207 3.691 1.00 0.00 ATOM 293 C SER A 40 -6.502 -5.285 2.579 1.00 0.00 ATOM 294 N LEU A 41 -6.041 -6.398 2.040 1.00 0.00 ATOM 295 CA LEU A 41 -6.214 -7.696 2.715 1.00 0.00 ATOM 296 CB LEU A 41 -6.401 -8.811 1.679 1.00 0.00 ATOM 297 CG LEU A 41 -7.616 -8.648 0.757 1.00 0.00 ATOM 298 CD1 LEU A 41 -7.645 -9.769 -0.272 1.00 0.00 ATOM 299 CD2 LEU A 41 -8.891 -8.647 1.589 1.00 0.00 ATOM 300 O LEU A 41 -4.179 -7.106 3.825 1.00 0.00 ATOM 301 C LEU A 41 -5.011 -7.993 3.632 1.00 0.00 ATOM 302 N GLY A 42 -5.227 -8.831 4.641 1.00 0.00 ATOM 303 CA GLY A 42 -4.134 -9.313 5.510 1.00 0.00 ATOM 304 O GLY A 42 -2.100 -8.105 5.102 1.00 0.00 ATOM 305 C GLY A 42 -2.688 -9.187 5.053 1.00 0.00 ATOM 306 N VAL A 43 -2.113 -10.394 4.584 1.00 0.00 ATOM 307 CA VAL A 43 -0.728 -10.451 4.112 1.00 0.00 ATOM 308 CB VAL A 43 -0.014 -11.813 4.382 1.00 0.00 ATOM 309 CG1 VAL A 43 1.458 -11.744 3.995 1.00 0.00 ATOM 310 CG2 VAL A 43 -0.151 -12.230 5.835 1.00 0.00 ATOM 311 O VAL A 43 -0.822 -10.845 1.710 1.00 0.00 ATOM 312 C VAL A 43 -0.760 -10.027 2.614 1.00 0.00 ATOM 313 N ILE A 44 -0.696 -8.717 2.381 1.00 0.00 ATOM 314 CA ILE A 44 -0.915 -8.174 1.067 1.00 0.00 ATOM 315 CB ILE A 44 -2.421 -8.016 0.716 1.00 0.00 ATOM 316 CG1 ILE A 44 -2.617 -7.966 -0.806 1.00 0.00 ATOM 317 CG2 ILE A 44 -3.000 -6.717 1.294 1.00 0.00 ATOM 318 CD1 ILE A 44 -4.063 -8.024 -1.302 1.00 0.00 ATOM 319 O ILE A 44 -0.020 -6.068 1.839 1.00 0.00 ATOM 320 C ILE A 44 -0.263 -6.811 0.867 1.00 0.00 ATOM 321 N PRO A 45 0.328 -6.613 -0.311 1.00 0.00 ATOM 322 CA PRO A 45 0.982 -5.334 -0.641 1.00 0.00 ATOM 323 CB PRO A 45 2.015 -5.740 -1.656 1.00 0.00 ATOM 324 CG PRO A 45 1.287 -6.796 -2.445 1.00 0.00 ATOM 325 CD PRO A 45 0.609 -7.636 -1.341 1.00 0.00 ATOM 326 O PRO A 45 -1.053 -4.794 -1.839 1.00 0.00 ATOM 327 C PRO A 45 -0.096 -4.404 -1.156 1.00 0.00 ATOM 328 N ARG A 46 0.182 -3.128 -0.914 1.00 0.00 ATOM 329 CA ARG A 46 -0.660 -2.027 -1.397 1.00 0.00 ATOM 330 CB ARG A 46 -1.399 -1.380 -0.222 1.00 0.00 ATOM 331 CG ARG A 46 -2.265 -2.367 0.571 1.00 0.00 ATOM 332 CD ARG A 46 -3.600 -2.638 -0.111 1.00 0.00 ATOM 333 NE ARG A 46 -4.568 -1.559 0.174 1.00 0.00 ATOM 334 CZ ARG A 46 -4.834 -0.540 -0.651 1.00 0.00 ATOM 335 NH1 ARG A 46 -4.219 -0.414 -1.806 1.00 0.00 ATOM 336 NH2 ARG A 46 -5.698 0.405 -0.314 1.00 0.00 ATOM 337 O ARG A 46 1.293 -0.647 -1.572 1.00 0.00 ATOM 338 C ARG A 46 0.261 -1.049 -2.105 1.00 0.00 ATOM 339 N ARG A 47 -0.074 -0.702 -3.337 1.00 0.00 ATOM 340 CA ARG A 47 0.689 0.252 -4.125 1.00 0.00 ATOM 341 CB ARG A 47 1.428 -0.493 -5.256 1.00 0.00 ATOM 342 CG ARG A 47 0.484 -1.216 -6.211 1.00 0.00 ATOM 343 CD ARG A 47 1.157 -1.490 -7.548 1.00 0.00 ATOM 344 NE ARG A 47 1.407 -0.247 -8.271 1.00 0.00 ATOM 345 CZ ARG A 47 2.072 -0.158 -9.420 1.00 0.00 ATOM 346 NH1 ARG A 47 2.567 -1.245 -9.996 1.00 0.00 ATOM 347 NH2 ARG A 47 2.242 1.025 -9.990 1.00 0.00 ATOM 348 O ARG A 47 -1.302 1.364 -4.883 1.00 0.00 ATOM 349 C ARG A 47 -0.172 1.493 -4.406 1.00 0.00 ATOM 350 N VAL A 48 0.339 2.633 -3.949 1.00 0.00 ATOM 351 CA VAL A 48 -0.409 3.907 -3.943 1.00 0.00 ATOM 352 CB VAL A 48 -1.029 4.175 -2.560 1.00 0.00 ATOM 353 CG1 VAL A 48 -1.904 3.007 -2.131 1.00 0.00 ATOM 354 CG2 VAL A 48 0.060 4.429 -1.528 1.00 0.00 ATOM 355 O VAL A 48 1.638 5.192 -3.978 1.00 0.00 ATOM 356 C VAL A 48 0.462 5.122 -4.331 1.00 0.00 ATOM 357 N LEU A 49 -0.205 6.130 -4.887 1.00 0.00 ATOM 358 CA LEU A 49 0.396 7.440 -5.218 1.00 0.00 ATOM 359 CB LEU A 49 -0.322 8.066 -6.391 1.00 0.00 ATOM 360 CG LEU A 49 0.119 9.488 -6.735 1.00 0.00 ATOM 361 CD1 LEU A 49 1.597 9.552 -7.194 1.00 0.00 ATOM 362 CD2 LEU A 49 -0.798 10.084 -7.799 1.00 0.00 ATOM 363 O LEU A 49 -0.989 8.266 -3.472 1.00 0.00 ATOM 364 C LEU A 49 0.063 8.437 -4.098 1.00 0.00 ATOM 365 N VAL A 50 1.071 9.203 -3.718 1.00 0.00 ATOM 366 CA VAL A 50 0.915 10.263 -2.706 1.00 0.00 ATOM 367 CB VAL A 50 1.754 9.926 -1.452 1.00 0.00 ATOM 368 CG1 VAL A 50 1.510 10.912 -0.317 1.00 0.00 ATOM 369 CG2 VAL A 50 1.475 8.518 -0.917 1.00 0.00 ATOM 370 O VAL A 50 2.304 11.755 -4.009 1.00 0.00 ATOM 371 C VAL A 50 1.295 11.620 -3.265 1.00 0.00 ATOM 372 N HIS A 51 0.521 12.695 -2.931 1.00 0.00 ATOM 373 CA HIS A 51 0.867 14.052 -3.369 1.00 0.00 ATOM 374 CB HIS A 51 -0.299 14.959 -2.969 1.00 0.00 ATOM 375 CG HIS A 51 -0.165 16.366 -3.466 1.00 0.00 ATOM 376 CD2 HIS A 51 -0.714 16.990 -4.534 1.00 0.00 ATOM 377 ND1 HIS A 51 0.617 17.308 -2.832 1.00 0.00 ATOM 378 CE1 HIS A 51 0.545 18.451 -3.490 1.00 0.00 ATOM 379 NE2 HIS A 51 -0.257 18.285 -4.526 1.00 0.00 ATOM 380 O HIS A 51 2.682 13.920 -1.791 1.00 0.00 ATOM 381 C HIS A 51 2.227 14.474 -2.788 1.00 0.00 ATOM 382 N GLU A 52 2.852 15.451 -3.403 1.00 0.00 ATOM 383 CA GLU A 52 4.152 15.929 -2.950 1.00 0.00 ATOM 384 CB GLU A 52 4.553 17.069 -3.888 1.00 0.00 ATOM 385 CG GLU A 52 5.897 17.709 -3.564 1.00 0.00 ATOM 386 CD GLU A 52 6.242 18.786 -4.553 1.00 0.00 ATOM 387 OE1 GLU A 52 5.478 18.999 -5.464 1.00 0.00 ATOM 388 OE2 GLU A 52 7.212 19.473 -4.338 1.00 0.00 ATOM 389 O GLU A 52 5.010 16.023 -0.741 1.00 0.00 ATOM 390 C GLU A 52 4.166 16.474 -1.516 1.00 0.00 ATOM 391 N ASP A 53 3.105 17.191 -1.158 1.00 0.00 ATOM 392 CA ASP A 53 2.919 17.800 0.182 1.00 0.00 ATOM 393 CB ASP A 53 1.740 18.776 0.171 1.00 0.00 ATOM 394 CG ASP A 53 2.017 20.086 -0.555 1.00 0.00 ATOM 395 OD1 ASP A 53 3.158 20.350 -0.851 1.00 0.00 ATOM 396 OD2 ASP A 53 1.077 20.734 -0.948 1.00 0.00 ATOM 397 O ASP A 53 3.151 16.930 2.430 1.00 0.00 ATOM 398 C ASP A 53 2.733 16.740 1.284 1.00 0.00 ATOM 399 N ASP A 54 2.291 15.550 0.871 1.00 0.00 ATOM 400 CA ASP A 54 1.982 14.465 1.811 1.00 0.00 ATOM 401 CB ASP A 54 0.627 13.852 1.452 1.00 0.00 ATOM 402 CG ASP A 54 -0.559 14.787 1.648 1.00 0.00 ATOM 403 OD1 ASP A 54 -0.408 15.769 2.336 1.00 0.00 ATOM 404 OD2 ASP A 54 -1.552 14.601 0.984 1.00 0.00 ATOM 405 O ASP A 54 2.727 12.321 2.619 1.00 0.00 ATOM 406 C ASP A 54 2.980 13.304 1.914 1.00 0.00 ATOM 407 N LEU A 55 4.116 13.415 1.222 1.00 0.00 ATOM 408 CA LEU A 55 5.087 12.300 1.216 1.00 0.00 ATOM 409 CB LEU A 55 6.250 12.590 0.306 1.00 0.00 ATOM 410 CG LEU A 55 5.802 12.790 -1.151 1.00 0.00 ATOM 411 CD1 LEU A 55 6.972 13.112 -2.053 1.00 0.00 ATOM 412 CD2 LEU A 55 5.047 11.551 -1.665 1.00 0.00 ATOM 413 O LEU A 55 5.863 10.921 3.042 1.00 0.00 ATOM 414 C LEU A 55 5.725 12.046 2.572 1.00 0.00 ATOM 415 N ALA A 56 6.143 13.143 3.191 1.00 0.00 ATOM 416 CA ALA A 56 6.774 13.074 4.517 1.00 0.00 ATOM 417 CB ALA A 56 7.285 14.485 4.878 1.00 0.00 ATOM 418 O ALA A 56 6.158 11.650 6.383 1.00 0.00 ATOM 419 C ALA A 56 5.782 12.513 5.557 1.00 0.00 ATOM 420 N GLY A 57 4.507 12.949 5.523 1.00 0.00 ATOM 421 CA GLY A 57 3.487 12.439 6.435 1.00 0.00 ATOM 422 O GLY A 57 3.260 10.201 7.251 1.00 0.00 ATOM 423 C GLY A 57 3.285 10.946 6.267 1.00 0.00 ATOM 424 N ALA A 58 3.192 10.485 5.017 1.00 0.00 ATOM 425 CA ALA A 58 3.007 9.073 4.706 1.00 0.00 ATOM 426 CB ALA A 58 2.756 8.840 3.240 1.00 0.00 ATOM 427 O ALA A 58 3.994 7.139 5.731 1.00 0.00 ATOM 428 C ALA A 58 4.183 8.189 5.110 1.00 0.00 ATOM 429 N ARG A 59 5.370 8.598 4.740 1.00 0.00 ATOM 430 CA ARG A 59 6.570 7.846 5.072 1.00 0.00 ATOM 431 CB ARG A 59 7.842 8.518 4.532 1.00 0.00 ATOM 432 CG ARG A 59 8.079 8.265 3.039 1.00 0.00 ATOM 433 CD ARG A 59 9.434 8.809 2.519 1.00 0.00 ATOM 434 NE ARG A 59 9.654 10.211 2.876 1.00 0.00 ATOM 435 CZ ARG A 59 9.456 11.254 2.057 1.00 0.00 ATOM 436 NH1 ARG A 59 9.044 11.077 0.809 1.00 0.00 ATOM 437 NH2 ARG A 59 9.684 12.478 2.485 1.00 0.00 ATOM 438 O ARG A 59 7.126 6.672 7.078 1.00 0.00 ATOM 439 C ARG A 59 6.767 7.736 6.581 1.00 0.00 ATOM 440 N ARG A 60 6.529 8.831 7.324 1.00 0.00 ATOM 441 CA ARG A 60 6.683 8.818 8.779 1.00 0.00 ATOM 442 CB ARG A 60 6.314 10.105 9.423 1.00 0.00 ATOM 443 CG ARG A 60 7.414 11.151 9.306 1.00 0.00 ATOM 444 CD ARG A 60 7.185 12.307 10.266 1.00 0.00 ATOM 445 NE ARG A 60 6.159 13.239 9.802 1.00 0.00 ATOM 446 CZ ARG A 60 6.367 14.184 8.891 1.00 0.00 ATOM 447 NH1 ARG A 60 7.566 14.327 8.339 1.00 0.00 ATOM 448 NH2 ARG A 60 5.380 14.995 8.537 1.00 0.00 ATOM 449 O ARG A 60 6.028 7.145 10.379 1.00 0.00 ATOM 450 C ARG A 60 5.693 7.842 9.418 1.00 0.00 ATOM 451 N LEU A 61 4.459 7.776 8.888 1.00 0.00 ATOM 452 CA LEU A 61 3.463 6.851 9.415 1.00 0.00 ATOM 453 CB LEU A 61 2.103 7.099 8.816 1.00 0.00 ATOM 454 CG LEU A 61 1.474 8.444 9.184 1.00 0.00 ATOM 455 CD1 LEU A 61 0.209 8.654 8.364 1.00 0.00 ATOM 456 CD2 LEU A 61 1.159 8.477 10.676 1.00 0.00 ATOM 457 O LEU A 61 3.805 4.555 10.049 1.00 0.00 ATOM 458 C LEU A 61 3.949 5.424 9.186 1.00 0.00 ATOM 459 N LEU A 62 4.534 5.171 8.001 1.00 0.00 ATOM 460 CA LEU A 62 5.048 3.850 7.677 1.00 0.00 ATOM 461 CB LEU A 62 5.625 3.694 6.361 1.00 0.00 ATOM 462 CG LEU A 62 4.578 3.906 5.257 1.00 0.00 ATOM 463 CD1 LEU A 62 5.251 3.802 3.891 1.00 0.00 ATOM 464 CD2 LEU A 62 3.468 2.877 5.388 1.00 0.00 ATOM 465 O LEU A 62 6.219 2.412 9.265 1.00 0.00 ATOM 466 C LEU A 62 6.204 3.496 8.646 1.00 0.00 ATOM 467 N THR A 63 7.094 4.431 8.829 1.00 0.00 ATOM 468 CA THR A 63 8.246 4.188 9.702 1.00 0.00 ATOM 469 CB THR A 63 9.218 5.381 9.627 1.00 0.00 ATOM 470 CG2 THR A 63 10.395 5.129 10.551 1.00 0.00 ATOM 471 OG1 THR A 63 9.656 5.475 8.254 1.00 0.00 ATOM 472 O THR A 63 8.291 3.081 11.798 1.00 0.00 ATOM 473 C THR A 63 7.800 3.987 11.149 1.00 0.00 ATOM 474 N ASP A 64 6.860 4.802 11.629 1.00 0.00 ATOM 475 CA ASP A 64 6.393 4.740 13.029 1.00 0.00 ATOM 476 CB ASP A 64 5.438 5.899 13.328 1.00 0.00 ATOM 477 CG ASP A 64 6.115 7.258 13.438 1.00 0.00 ATOM 478 OD1 ASP A 64 7.320 7.296 13.520 1.00 0.00 ATOM 479 OD2 ASP A 64 5.442 8.250 13.282 1.00 0.00 ATOM 480 O ASP A 64 6.204 2.662 14.201 1.00 0.00 ATOM 481 C ASP A 64 5.731 3.388 13.340 1.00 0.00 ATOM 482 N ALA A 65 4.817 2.986 12.445 1.00 0.00 ATOM 483 CA ALA A 65 4.203 1.640 12.536 1.00 0.00 ATOM 484 CB ALA A 65 3.072 1.398 11.543 1.00 0.00 ATOM 485 O ALA A 65 4.898 -0.645 12.321 1.00 0.00 ATOM 486 C ALA A 65 5.177 0.534 12.217 1.00 0.00 ATOM 487 N GLY A 66 6.405 0.889 11.669 1.00 0.00 ATOM 488 CA GLY A 66 7.382 -0.144 11.346 1.00 0.00 ATOM 489 O GLY A 66 7.190 -2.210 10.096 1.00 0.00 ATOM 490 C GLY A 66 6.866 -1.025 10.198 1.00 0.00 ATOM 491 N LEU A 67 6.091 -0.438 9.294 1.00 0.00 ATOM 492 CA LEU A 67 5.535 -1.187 8.163 1.00 0.00 ATOM 493 CB LEU A 67 4.344 -0.398 7.625 1.00 0.00 ATOM 494 CG LEU A 67 3.280 -1.275 6.971 1.00 0.00 ATOM 495 CD1 LEU A 67 1.905 -0.647 7.215 1.00 0.00 ATOM 496 CD2 LEU A 67 3.486 -1.405 5.468 1.00 0.00 ATOM 497 O LEU A 67 7.257 -0.413 6.679 1.00 0.00 ATOM 498 C LEU A 67 6.609 -1.374 7.083 1.00 0.00 ATOM 499 N ALA A 68 6.728 -2.600 6.581 1.00 0.00 ATOM 500 CA ALA A 68 7.624 -2.899 5.448 1.00 0.00 ATOM 501 CB ALA A 68 7.677 -4.399 5.133 1.00 0.00 ATOM 502 O ALA A 68 5.945 -2.276 3.855 1.00 0.00 ATOM 503 C ALA A 68 7.119 -2.151 4.205 1.00 0.00 ATOM 504 N HIS A 69 8.035 -1.445 3.569 1.00 0.00 ATOM 505 CA HIS A 69 7.707 -0.673 2.365 1.00 0.00 ATOM 506 CB HIS A 69 7.093 0.661 2.745 1.00 0.00 ATOM 507 CG HIS A 69 7.900 1.710 3.485 1.00 0.00 ATOM 508 CD2 HIS A 69 8.581 2.715 2.961 1.00 0.00 ATOM 509 ND1 HIS A 69 8.039 1.776 4.787 1.00 0.00 ATOM 510 CE1 HIS A 69 8.839 2.784 5.086 1.00 0.00 ATOM 511 NE2 HIS A 69 9.156 3.383 3.947 1.00 0.00 ATOM 512 O HIS A 69 10.029 -0.173 1.966 1.00 0.00 ATOM 513 C HIS A 69 8.908 -0.339 1.496 1.00 0.00 ATOM 514 N GLU A 70 8.564 -0.014 0.266 1.00 0.00 ATOM 515 CA GLU A 70 9.553 0.578 -0.646 1.00 0.00 ATOM 516 CB GLU A 70 10.143 -0.494 -1.566 1.00 0.00 ATOM 517 CG GLU A 70 9.140 -1.130 -2.517 1.00 0.00 ATOM 518 CD GLU A 70 9.781 -2.203 -3.350 1.00 0.00 ATOM 519 OE1 GLU A 70 10.945 -2.464 -3.156 1.00 0.00 ATOM 520 OE2 GLU A 70 9.083 -2.838 -4.104 1.00 0.00 ATOM 521 O GLU A 70 7.878 1.507 -2.096 1.00 0.00 ATOM 522 C GLU A 70 8.971 1.655 -1.547 1.00 0.00 ATOM 523 N LEU A 71 9.777 2.697 -1.755 1.00 0.00 ATOM 524 CA LEU A 71 9.451 3.740 -2.747 1.00 0.00 ATOM 525 CB LEU A 71 10.271 5.019 -2.566 1.00 0.00 ATOM 526 CG LEU A 71 10.154 5.665 -1.185 1.00 0.00 ATOM 527 CD1 LEU A 71 11.010 6.916 -1.086 1.00 0.00 ATOM 528 CD2 LEU A 71 8.730 6.138 -0.906 1.00 0.00 ATOM 529 O LEU A 71 10.803 3.145 -4.650 1.00 0.00 ATOM 530 C LEU A 71 9.671 3.228 -4.174 1.00 0.00 ATOM 531 N ARG A 72 8.478 3.052 -4.885 1.00 0.00 ATOM 532 CA ARG A 72 8.525 2.731 -6.334 1.00 0.00 ATOM 533 CB ARG A 72 7.200 2.182 -6.842 1.00 0.00 ATOM 534 CG ARG A 72 6.854 0.785 -6.351 1.00 0.00 ATOM 535 CD ARG A 72 7.571 -0.308 -7.060 1.00 0.00 ATOM 536 NE ARG A 72 7.245 -0.427 -8.470 1.00 0.00 ATOM 537 CZ ARG A 72 7.830 -1.291 -9.322 1.00 0.00 ATOM 538 NH1 ARG A 72 8.797 -2.087 -8.920 1.00 0.00 ATOM 539 NH2 ARG A 72 7.424 -1.303 -10.580 1.00 0.00 ATOM 540 O ARG A 72 9.781 3.820 -8.089 1.00 0.00 ATOM 541 C ARG A 72 8.939 3.934 -7.195 1.00 0.00 ATOM 542 N SER A 73 8.351 5.061 -6.898 1.00 0.00 ATOM 543 CA SER A 73 8.614 6.322 -7.577 1.00 0.00 ATOM 544 CB SER A 73 7.607 6.565 -8.720 1.00 0.00 ATOM 545 OG SER A 73 7.778 7.875 -9.252 1.00 0.00 ATOM 546 O SER A 73 7.649 7.788 -6.037 1.00 0.00 ATOM 547 C SER A 73 8.634 7.435 -6.613 1.00 0.00 ATOM 548 N ASP A 74 9.844 8.122 -6.485 1.00 0.00 ATOM 549 CA ASP A 74 9.987 9.253 -5.624 1.00 0.00 ATOM 550 CB ASP A 74 11.437 9.780 -5.750 1.00 0.00 ATOM 551 CG ASP A 74 12.460 8.899 -5.093 1.00 0.00 ATOM 552 OD1 ASP A 74 12.063 7.994 -4.316 1.00 0.00 ATOM 553 OD2 ASP A 74 13.676 9.052 -5.325 1.00 0.00 ATOM 554 O ASP A 74 8.560 11.109 -5.116 1.00 0.00 ATOM 555 C ASP A 74 9.048 10.395 -5.998 1.00 0.00 ATOM 556 N ASP A 75 8.806 10.554 -7.303 1.00 0.00 ATOM 557 CA ASP A 75 7.926 11.620 -7.772 1.00 0.00 ATOM 558 CB ASP A 75 8.184 11.862 -9.262 1.00 0.00 ATOM 559 CG ASP A 75 9.540 12.472 -9.564 1.00 0.00 ATOM 560 OD1 ASP A 75 10.178 13.092 -8.681 1.00 0.00 ATOM 561 OD2 ASP A 75 9.915 12.478 -10.759 1.00 0.00 ATOM 562 O ASP A 75 5.606 12.100 -7.945 1.00 0.00 ATOM 563 C ASP A 75 6.454 11.309 -7.531 1.00 0.00 ENDMDL EXPDTA 2hfvA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hfvA ATOM 1 N MET A 1 -33.955 30.238 -8.949 1.00 0.00 ATOM 2 CA MET A 1 -33.213 28.969 -8.792 1.00 0.00 ATOM 3 CB MET A 1 -33.589 27.984 -9.903 1.00 0.00 ATOM 4 CG MET A 1 -35.037 27.530 -9.857 1.00 0.00 ATOM 5 SD MET A 1 -35.486 26.501 -11.269 1.00 0.00 ATOM 6 CE MET A 1 -34.358 25.122 -11.070 1.00 0.00 ATOM 7 O MET A 1 -31.135 29.502 -9.870 1.00 0.00 ATOM 8 C MET A 1 -31.711 29.222 -8.815 1.00 0.00 ATOM 9 N ARG A 2 4.043 9.078 -5.609 1.00 0.00 ATOM 10 CA ARG A 2 5.142 8.137 -5.418 1.00 0.00 ATOM 11 CB ARG A 2 6.354 8.801 -4.754 1.00 0.00 ATOM 12 CG ARG A 2 6.969 9.925 -5.569 1.00 0.00 ATOM 13 CD ARG A 2 8.263 10.423 -4.947 1.00 0.00 ATOM 14 NE ARG A 2 8.765 11.614 -5.625 1.00 0.00 ATOM 15 CZ ARG A 2 10.022 11.776 -6.032 1.00 0.00 ATOM 16 NH1 ARG A 2 10.914 10.806 -5.857 1.00 0.00 ATOM 17 NH2 ARG A 2 10.377 12.906 -6.632 1.00 0.00 ATOM 18 O ARG A 2 3.813 7.130 -3.700 1.00 0.00 ATOM 19 C ARG A 2 4.674 6.967 -4.566 1.00 0.00 ATOM 20 N GLU A 3 5.239 5.799 -4.823 1.00 0.00 ATOM 21 CA GLU A 3 4.853 4.573 -4.135 1.00 0.00 ATOM 22 CB GLU A 3 5.207 3.381 -5.024 1.00 0.00 ATOM 23 CG GLU A 3 4.492 2.093 -4.665 1.00 0.00 ATOM 24 CD GLU A 3 4.676 1.033 -5.731 1.00 0.00 ATOM 25 OE1 GLU A 3 5.689 0.308 -5.688 1.00 0.00 ATOM 26 OE2 GLU A 3 3.815 0.929 -6.633 1.00 0.00 ATOM 27 O GLU A 3 6.736 4.782 -2.650 1.00 0.00 ATOM 28 C GLU A 3 5.550 4.473 -2.775 1.00 0.00 ATOM 29 N LEU A 4 4.803 4.072 -1.750 1.00 0.00 ATOM 30 CA LEU A 4 5.354 3.958 -0.406 1.00 0.00 ATOM 31 CB LEU A 4 4.463 4.666 0.620 1.00 0.00 ATOM 32 CG LEU A 4 4.661 6.180 0.747 1.00 0.00 ATOM 33 CD1 LEU A 4 4.288 6.891 -0.541 1.00 0.00 ATOM 34 CD2 LEU A 4 3.846 6.719 1.911 1.00 0.00 ATOM 35 O LEU A 4 6.672 2.049 0.184 1.00 0.00 ATOM 36 C LEU A 4 5.548 2.501 -0.003 1.00 0.00 ATOM 37 N LEU A 5 4.456 1.764 0.135 1.00 0.00 ATOM 38 CA LEU A 5 4.533 0.371 0.560 1.00 0.00 ATOM 39 CB LEU A 5 4.456 0.245 2.093 1.00 0.00 ATOM 40 CG LEU A 5 3.135 0.666 2.746 1.00 0.00 ATOM 41 CD1 LEU A 5 2.998 0.013 4.113 1.00 0.00 ATOM 42 CD2 LEU A 5 3.057 2.179 2.889 1.00 0.00 ATOM 43 O LEU A 5 2.589 0.073 -0.812 1.00 0.00 ATOM 44 C LEU A 5 3.430 -0.457 -0.087 1.00 0.00 ATOM 45 N ARG A 6 3.435 -1.756 0.182 1.00 0.00 ATOM 46 CA ARG A 6 2.453 -2.667 -0.393 1.00 0.00 ATOM 47 CB ARG A 6 2.971 -3.231 -1.719 1.00 0.00 ATOM 48 CG ARG A 6 4.066 -4.276 -1.555 1.00 0.00 ATOM 49 CD ARG A 6 5.025 -4.265 -2.730 1.00 0.00 ATOM 50 NE ARG A 6 5.834 -3.048 -2.739 1.00 0.00 ATOM 51 CZ ARG A 6 5.807 -2.140 -3.712 1.00 0.00 ATOM 52 NH1 ARG A 6 5.016 -2.304 -4.771 1.00 0.00 ATOM 53 NH2 ARG A 6 6.566 -1.058 -3.625 1.00 0.00 ATOM 54 O ARG A 6 3.005 -4.142 1.408 1.00 0.00 ATOM 55 C ARG A 6 2.164 -3.807 0.573 1.00 0.00 ATOM 56 N THR A 7 0.978 -4.389 0.458 1.00 0.00 ATOM 57 CA THR A 7 0.595 -5.531 1.272 1.00 0.00 ATOM 58 CB THR A 7 0.710 -5.229 2.788 1.00 0.00 ATOM 59 CG2 THR A 7 -0.265 -4.139 3.212 1.00 0.00 ATOM 60 OG1 THR A 7 0.446 -6.416 3.550 1.00 0.00 ATOM 61 O THR A 7 -1.587 -5.200 0.322 1.00 0.00 ATOM 62 C THR A 7 -0.836 -5.953 0.945 1.00 0.00 ATOM 63 N ASN A 8 -1.203 -7.158 1.349 1.00 0.00 ATOM 64 CA ASN A 8 -2.570 -7.631 1.177 1.00 0.00 ATOM 65 CB ASN A 8 -2.608 -8.950 0.399 1.00 0.00 ATOM 66 CG ASN A 8 -2.072 -10.126 1.194 1.00 0.00 ATOM 67 ND2 ASN A 8 -2.944 -10.786 1.941 1.00 0.00 ATOM 68 OD1 ASN A 8 -0.884 -10.438 1.141 1.00 0.00 ATOM 69 O ASN A 8 -4.392 -8.201 2.629 1.00 0.00 ATOM 70 C ASN A 8 -3.227 -7.814 2.535 1.00 0.00 ATOM 71 N ASP A 9 -2.469 -7.526 3.586 1.00 0.00 ATOM 72 CA ASP A 9 -2.955 -7.701 4.948 1.00 0.00 ATOM 73 CB ASP A 9 -1.797 -7.683 5.949 1.00 0.00 ATOM 74 CG ASP A 9 -2.245 -8.034 7.352 1.00 0.00 ATOM 75 OD1 ASP A 9 -2.761 -7.147 8.060 1.00 0.00 ATOM 76 OD2 ASP A 9 -2.090 -9.210 7.753 1.00 0.00 ATOM 77 O ASP A 9 -3.626 -5.428 5.343 1.00 0.00 ATOM 78 C ASP A 9 -3.961 -6.614 5.301 1.00 0.00 ATOM 79 N ALA A 10 -5.191 -7.035 5.557 1.00 0.00 ATOM 80 CA ALA A 10 -6.286 -6.115 5.837 1.00 0.00 ATOM 81 CB ALA A 10 -7.589 -6.883 5.981 1.00 0.00 ATOM 82 O ALA A 10 -6.428 -4.114 7.153 1.00 0.00 ATOM 83 C ALA A 10 -6.032 -5.279 7.086 1.00 0.00 ATOM 84 N VAL A 11 -5.359 -5.864 8.070 1.00 0.00 ATOM 85 CA VAL A 11 -5.096 -5.171 9.324 1.00 0.00 ATOM 86 CB VAL A 11 -4.633 -6.144 10.433 1.00 0.00 ATOM 87 CG1 VAL A 11 -4.357 -5.396 11.734 1.00 0.00 ATOM 88 CG2 VAL A 11 -5.673 -7.230 10.652 1.00 0.00 ATOM 89 O VAL A 11 -4.225 -2.945 9.540 1.00 0.00 ATOM 90 C VAL A 11 -4.045 -4.090 9.118 1.00 0.00 ATOM 91 N LEU A 12 -2.956 -4.452 8.447 1.00 0.00 ATOM 92 CA LEU A 12 -1.889 -3.506 8.145 1.00 0.00 ATOM 93 CB LEU A 12 -0.728 -4.222 7.446 1.00 0.00 ATOM 94 CG LEU A 12 0.519 -3.368 7.207 1.00 0.00 ATOM 95 CD1 LEU A 12 1.082 -2.864 8.526 1.00 0.00 ATOM 96 CD2 LEU A 12 1.571 -4.163 6.452 1.00 0.00 ATOM 97 O LEU A 12 -2.086 -1.202 7.486 1.00 0.00 ATOM 98 C LEU A 12 -2.416 -2.369 7.273 1.00 0.00 ATOM 99 N LEU A 13 -3.258 -2.719 6.308 1.00 0.00 ATOM 100 CA LEU A 13 -3.867 -1.732 5.418 1.00 0.00 ATOM 101 CB LEU A 13 -4.627 -2.432 4.287 1.00 0.00 ATOM 102 CG LEU A 13 -3.740 -3.076 3.218 1.00 0.00 ATOM 103 CD1 LEU A 13 -4.560 -3.982 2.314 1.00 0.00 ATOM 104 CD2 LEU A 13 -3.038 -2.004 2.395 1.00 0.00 ATOM 105 O LEU A 13 -4.979 0.360 5.795 1.00 0.00 ATOM 106 C LEU A 13 -4.798 -0.796 6.181 1.00 0.00 ATOM 107 N SER A 14 -5.387 -1.291 7.260 1.00 0.00 ATOM 108 CA SER A 14 -6.251 -0.466 8.093 1.00 0.00 ATOM 109 CB SER A 14 -7.142 -1.344 8.972 1.00 0.00 ATOM 110 OG SER A 14 -7.941 -2.213 8.182 1.00 0.00 ATOM 111 O SER A 14 -5.778 1.640 9.151 1.00 0.00 ATOM 112 C SER A 14 -5.417 0.479 8.960 1.00 0.00 ATOM 113 N ALA A 15 -4.293 -0.026 9.467 1.00 0.00 ATOM 114 CA ALA A 15 -3.405 0.768 10.308 1.00 0.00 ATOM 115 CB ALA A 15 -2.301 -0.107 10.885 1.00 0.00 ATOM 116 O ALA A 15 -2.917 3.089 9.930 1.00 0.00 ATOM 117 C ALA A 15 -2.808 1.931 9.524 1.00 0.00 ATOM 118 N VAL A 16 -2.189 1.615 8.391 1.00 0.00 ATOM 119 CA VAL A 16 -1.587 2.633 7.536 1.00 0.00 ATOM 120 CB VAL A 16 -0.875 1.995 6.321 1.00 0.00 ATOM 121 CG1 VAL A 16 -0.261 3.057 5.427 1.00 0.00 ATOM 122 CG2 VAL A 16 0.188 1.011 6.782 1.00 0.00 ATOM 123 O VAL A 16 -2.390 4.834 6.973 1.00 0.00 ATOM 124 C VAL A 16 -2.641 3.628 7.048 1.00 0.00 ATOM 125 N GLY A 17 -3.827 3.114 6.744 1.00 0.00 ATOM 126 CA GLY A 17 -4.910 3.956 6.279 1.00 0.00 ATOM 127 O GLY A 17 -5.433 6.162 7.025 1.00 0.00 ATOM 128 C GLY A 17 -5.324 4.973 7.323 1.00 0.00 ATOM 129 N ALA A 18 -5.526 4.506 8.553 1.00 0.00 ATOM 130 CA ALA A 18 -5.951 5.367 9.651 1.00 0.00 ATOM 131 CB ALA A 18 -6.233 4.539 10.896 1.00 0.00 ATOM 132 O ALA A 18 -5.259 7.569 10.311 1.00 0.00 ATOM 133 C ALA A 18 -4.912 6.443 9.957 1.00 0.00 ATOM 134 N LEU A 19 -3.643 6.091 9.801 1.00 0.00 ATOM 135 CA LEU A 19 -2.544 7.020 10.056 1.00 0.00 ATOM 136 CB LEU A 19 -1.195 6.298 9.943 1.00 0.00 ATOM 137 CG LEU A 19 -0.935 5.225 10.999 1.00 0.00 ATOM 138 CD1 LEU A 19 0.362 4.487 10.704 1.00 0.00 ATOM 139 CD2 LEU A 19 -0.890 5.843 12.386 1.00 0.00 ATOM 140 O LEU A 19 -2.569 9.350 9.472 1.00 0.00 ATOM 141 C LEU A 19 -2.586 8.184 9.074 1.00 0.00 ATOM 142 N LEU A 20 -2.665 7.858 7.792 1.00 0.00 ATOM 143 CA LEU A 20 -2.663 8.868 6.743 1.00 0.00 ATOM 144 CB LEU A 20 -2.452 8.209 5.381 1.00 0.00 ATOM 145 CG LEU A 20 -1.159 7.402 5.243 1.00 0.00 ATOM 146 CD1 LEU A 20 -1.102 6.707 3.891 1.00 0.00 ATOM 147 CD2 LEU A 20 0.049 8.305 5.422 1.00 0.00 ATOM 148 O LEU A 20 -3.957 10.888 6.601 1.00 0.00 ATOM 149 C LEU A 20 -3.965 9.665 6.749 1.00 0.00 ATOM 150 N ASP A 21 -5.076 8.961 6.944 1.00 0.00 ATOM 151 CA ASP A 21 -6.399 9.587 6.984 1.00 0.00 ATOM 152 CB ASP A 21 -7.496 8.514 7.030 1.00 0.00 ATOM 153 CG ASP A 21 -8.886 9.092 7.217 1.00 0.00 ATOM 154 OD1 ASP A 21 -9.434 9.663 6.253 1.00 0.00 ATOM 155 OD2 ASP A 21 -9.447 8.957 8.327 1.00 0.00 ATOM 156 O ASP A 21 -7.087 11.602 8.092 1.00 0.00 ATOM 157 C ASP A 21 -6.525 10.510 8.189 1.00 0.00 ATOM 158 N GLY A 22 -5.971 10.075 9.318 1.00 0.00 ATOM 159 CA GLY A 22 -6.042 10.857 10.538 1.00 0.00 ATOM 160 O GLY A 22 -5.582 13.121 11.152 1.00 0.00 ATOM 161 C GLY A 22 -5.272 12.160 10.447 1.00 0.00 ATOM 162 N ALA A 23 -4.274 12.195 9.575 1.00 0.00 ATOM 163 CA ALA A 23 -3.451 13.383 9.404 1.00 0.00 ATOM 164 CB ALA A 23 -1.985 12.995 9.348 1.00 0.00 ATOM 165 O ALA A 23 -3.169 15.115 7.762 1.00 0.00 ATOM 166 C ALA A 23 -3.849 14.162 8.150 1.00 0.00 ATOM 167 N ASP A 24 -4.955 13.746 7.524 1.00 0.00 ATOM 168 CA ASP A 24 -5.491 14.418 6.332 1.00 0.00 ATOM 169 CB ASP A 24 -5.874 15.869 6.672 1.00 0.00 ATOM 170 CG ASP A 24 -6.706 16.535 5.588 1.00 0.00 ATOM 171 OD1 ASP A 24 -6.166 17.382 4.848 1.00 0.00 ATOM 172 OD2 ASP A 24 -7.911 16.214 5.472 1.00 0.00 ATOM 173 O ASP A 24 -4.440 15.260 4.324 1.00 0.00 ATOM 174 C ASP A 24 -4.480 14.375 5.178 1.00 0.00 ATOM 175 N ILE A 25 -3.674 13.325 5.143 1.00 0.00 ATOM 176 CA ILE A 25 -2.666 13.177 4.101 1.00 0.00 ATOM 177 CB ILE A 25 -1.469 12.329 4.586 1.00 0.00 ATOM 178 CG1 ILE A 25 -0.814 12.984 5.808 1.00 0.00 ATOM 179 CG2 ILE A 25 -0.453 12.146 3.465 1.00 0.00 ATOM 180 CD1 ILE A 25 0.328 12.183 6.398 1.00 0.00 ATOM 181 O ILE A 25 -3.810 11.423 2.932 1.00 0.00 ATOM 182 C ILE A 25 -3.275 12.534 2.863 1.00 0.00 ATOM 183 N GLY A 26 -3.201 13.240 1.740 1.00 0.00 ATOM 184 CA GLY A 26 -3.743 12.734 0.496 1.00 0.00 ATOM 185 O GLY A 26 -1.890 11.509 -0.376 1.00 0.00 ATOM 186 C GLY A 26 -3.041 11.469 0.060 1.00 0.00 ATOM 187 N HIS A 27 -3.734 10.349 0.172 1.00 0.00 ATOM 188 CA HIS A 27 -3.123 9.055 -0.075 1.00 0.00 ATOM 189 CB HIS A 27 -2.982 8.272 1.240 1.00 0.00 ATOM 190 CG HIS A 27 -4.283 7.980 1.933 1.00 0.00 ATOM 191 CD2 HIS A 27 -5.069 6.876 1.912 1.00 0.00 ATOM 192 ND1 HIS A 27 -4.906 8.874 2.780 1.00 0.00 ATOM 193 CE1 HIS A 27 -6.014 8.329 3.250 1.00 0.00 ATOM 194 NE2 HIS A 27 -6.133 7.121 2.737 1.00 0.00 ATOM 195 O HIS A 27 -5.050 8.594 -1.430 1.00 0.00 ATOM 196 C HIS A 27 -3.918 8.248 -1.094 1.00 0.00 ATOM 197 N LEU A 28 -3.299 7.187 -1.583 1.00 0.00 ATOM 198 CA LEU A 28 -3.914 6.281 -2.540 1.00 0.00 ATOM 199 CB LEU A 28 -3.426 6.598 -3.961 1.00 0.00 ATOM 200 CG LEU A 28 -3.953 5.674 -5.059 1.00 0.00 ATOM 201 CD1 LEU A 28 -5.459 5.829 -5.219 1.00 0.00 ATOM 202 CD2 LEU A 28 -3.239 5.950 -6.373 1.00 0.00 ATOM 203 O LEU A 28 -2.445 4.392 -2.382 1.00 0.00 ATOM 204 C LEU A 28 -3.571 4.841 -2.177 1.00 0.00 ATOM 205 N VAL A 29 -4.535 4.131 -1.614 1.00 0.00 ATOM 206 CA VAL A 29 -4.337 2.738 -1.228 1.00 0.00 ATOM 207 CB VAL A 29 -4.729 2.483 0.245 1.00 0.00 ATOM 208 CG1 VAL A 29 -3.812 3.247 1.183 1.00 0.00 ATOM 209 CG2 VAL A 29 -6.184 2.858 0.495 1.00 0.00 ATOM 210 O VAL A 29 -5.169 0.601 -1.961 1.00 0.00 ATOM 211 C VAL A 29 -5.159 1.825 -2.123 1.00 0.00 ATOM 212 N LEU A 30 -5.835 2.436 -3.080 1.00 0.00 ATOM 213 CA LEU A 30 -6.768 1.723 -3.927 1.00 0.00 ATOM 214 CB LEU A 30 -8.019 2.575 -4.178 1.00 0.00 ATOM 215 CG LEU A 30 -9.164 1.869 -4.908 1.00 0.00 ATOM 216 CD1 LEU A 30 -9.605 0.627 -4.150 1.00 0.00 ATOM 217 CD2 LEU A 30 -10.332 2.820 -5.090 1.00 0.00 ATOM 218 O LEU A 30 -6.219 2.035 -6.248 1.00 0.00 ATOM 219 C LEU A 30 -6.110 1.330 -5.242 1.00 0.00 ATOM 220 N ASP A 31 -5.381 0.226 -5.206 1.00 0.00 ATOM 221 CA ASP A 31 -4.818 -0.360 -6.413 1.00 0.00 ATOM 222 CB ASP A 31 -3.591 -1.211 -6.070 1.00 0.00 ATOM 223 CG ASP A 31 -2.938 -1.819 -7.296 1.00 0.00 ATOM 224 OD1 ASP A 31 -3.027 -3.051 -7.470 1.00 0.00 ATOM 225 OD2 ASP A 31 -2.313 -1.074 -8.078 1.00 0.00 ATOM 226 O ASP A 31 -6.370 -0.889 -8.174 1.00 0.00 ATOM 227 C ASP A 31 -5.893 -1.205 -7.083 1.00 0.00 ATOM 228 N GLN A 32 -6.282 -2.272 -6.401 1.00 0.00 ATOM 229 CA GLN A 32 -7.464 -3.038 -6.757 1.00 0.00 ATOM 230 CB GLN A 32 -7.108 -4.301 -7.551 1.00 0.00 ATOM 231 CG GLN A 32 -6.470 -4.026 -8.903 1.00 0.00 ATOM 232 CD GLN A 32 -6.442 -5.253 -9.792 1.00 0.00 ATOM 233 OE1 GLN A 32 -7.364 -5.489 -10.573 1.00 0.00 ATOM 234 NE2 GLN A 32 -5.396 -6.047 -9.669 1.00 0.00 ATOM 235 O GLN A 32 -7.551 -3.567 -4.430 1.00 0.00 ATOM 236 C GLN A 32 -8.187 -3.418 -5.477 1.00 0.00 ATOM 237 N ASN A 33 -9.497 -3.554 -5.540 1.00 0.00 ATOM 238 CA ASN A 33 -10.264 -3.896 -4.355 1.00 0.00 ATOM 239 CB ASN A 33 -11.049 -2.682 -3.852 1.00 0.00 ATOM 240 CG ASN A 33 -11.699 -2.939 -2.505 1.00 0.00 ATOM 241 ND2 ASN A 33 -12.814 -2.276 -2.241 1.00 0.00 ATOM 242 OD1 ASN A 33 -11.191 -3.725 -1.702 1.00 0.00 ATOM 243 O ASN A 33 -12.088 -4.968 -5.490 1.00 0.00 ATOM 244 C ASN A 33 -11.210 -5.053 -4.631 1.00 0.00 ATOM 245 N MET A 34 -11.011 -6.140 -3.905 1.00 0.00 ATOM 246 CA MET A 34 -11.870 -7.307 -4.021 1.00 0.00 ATOM 247 CB MET A 34 -11.167 -8.534 -3.433 1.00 0.00 ATOM 248 CG MET A 34 -11.939 -9.833 -3.605 1.00 0.00 ATOM 249 SD MET A 34 -11.040 -11.266 -2.975 1.00 0.00 ATOM 250 CE MET A 34 -12.214 -12.576 -3.320 1.00 0.00 ATOM 251 O MET A 34 -13.221 -6.316 -2.311 1.00 0.00 ATOM 252 C MET A 34 -13.188 -7.046 -3.300 1.00 0.00 ATOM 253 N SER A 35 -14.271 -7.616 -3.809 1.00 0.00 ATOM 254 CA SER A 35 -15.584 -7.429 -3.213 1.00 0.00 ATOM 255 CB SER A 35 -16.637 -8.132 -4.065 1.00 0.00 ATOM 256 OG SER A 35 -16.592 -7.643 -5.393 1.00 0.00 ATOM 257 O SER A 35 -14.890 -8.865 -1.410 1.00 0.00 ATOM 258 C SER A 35 -15.619 -7.942 -1.772 1.00 0.00 ATOM 259 N ILE A 36 -16.487 -7.343 -0.964 1.00 0.00 ATOM 260 CA ILE A 36 -16.537 -7.620 0.470 1.00 0.00 ATOM 261 CB ILE A 36 -17.285 -6.483 1.210 1.00 0.00 ATOM 262 CG1 ILE A 36 -17.117 -6.596 2.729 1.00 0.00 ATOM 263 CG2 ILE A 36 -18.759 -6.473 0.833 1.00 0.00 ATOM 264 CD1 ILE A 36 -15.685 -6.447 3.190 1.00 0.00 ATOM 265 O ILE A 36 -17.372 -9.361 1.923 1.00 0.00 ATOM 266 C ILE A 36 -17.190 -8.981 0.765 1.00 0.00 ATOM 267 N LEU A 37 -17.531 -9.721 -0.283 1.00 0.00 ATOM 268 CA LEU A 37 -18.098 -11.052 -0.113 1.00 0.00 ATOM 269 CB LEU A 37 -18.937 -11.444 -1.344 1.00 0.00 ATOM 270 CG LEU A 37 -19.904 -12.635 -1.175 1.00 0.00 ATOM 271 CD1 LEU A 37 -19.174 -13.970 -1.226 1.00 0.00 ATOM 272 CD2 LEU A 37 -20.683 -12.509 0.127 1.00 0.00 ATOM 273 O LEU A 37 -16.464 -12.665 -0.804 1.00 0.00 ATOM 274 C LEU A 37 -16.967 -12.048 0.132 1.00 0.00 ATOM 275 N GLU A 38 -16.550 -12.140 1.395 1.00 0.00 ATOM 276 CA GLU A 38 -15.482 -13.042 1.838 1.00 0.00 ATOM 277 CB GLU A 38 -15.979 -14.492 1.860 1.00 0.00 ATOM 278 CG GLU A 38 -14.997 -15.460 2.497 1.00 0.00 ATOM 279 CD GLU A 38 -15.614 -16.810 2.781 1.00 0.00 ATOM 280 OE1 GLU A 38 -15.451 -17.733 1.955 1.00 0.00 ATOM 281 OE2 GLU A 38 -16.276 -16.953 3.828 1.00 0.00 ATOM 282 O GLU A 38 -14.079 -13.554 -0.062 1.00 0.00 ATOM 283 C GLU A 38 -14.220 -12.907 0.979 1.00 0.00 ATOM 284 N GLY A 39 -13.303 -12.062 1.433 1.00 0.00 ATOM 285 CA GLY A 39 -12.081 -11.810 0.691 1.00 0.00 ATOM 286 O GLY A 39 -11.295 -13.952 1.421 1.00 0.00 ATOM 287 C GLY A 39 -11.172 -13.024 0.617 1.00 0.00 ATOM 288 N SER A 40 -10.259 -13.012 -0.346 1.00 0.00 ATOM 289 CA SER A 40 -9.333 -14.119 -0.546 1.00 0.00 ATOM 290 CB SER A 40 -8.830 -14.116 -1.992 1.00 0.00 ATOM 291 OG SER A 40 -8.352 -12.831 -2.364 1.00 0.00 ATOM 292 O SER A 40 -8.124 -13.179 1.314 1.00 0.00 ATOM 293 C SER A 40 -8.157 -14.038 0.429 1.00 0.00 ATOM 294 N LEU A 41 -7.193 -14.936 0.266 1.00 0.00 ATOM 295 CA LEU A 41 -6.040 -14.977 1.151 1.00 0.00 ATOM 296 CB LEU A 41 -5.517 -16.412 1.310 1.00 0.00 ATOM 297 CG LEU A 41 -6.411 -17.366 2.115 1.00 0.00 ATOM 298 CD1 LEU A 41 -7.632 -17.785 1.315 1.00 0.00 ATOM 299 CD2 LEU A 41 -5.617 -18.588 2.551 1.00 0.00 ATOM 300 O LEU A 41 -4.251 -13.401 1.417 1.00 0.00 ATOM 301 C LEU A 41 -4.932 -14.065 0.635 1.00 0.00 ATOM 302 N GLY A 42 -4.754 -14.021 -0.682 1.00 0.00 ATOM 303 CA GLY A 42 -3.738 -13.153 -1.247 1.00 0.00 ATOM 304 O GLY A 42 -2.808 -13.081 -3.442 1.00 0.00 ATOM 305 C GLY A 42 -3.826 -13.037 -2.755 1.00 0.00 ATOM 306 N VAL A 43 -5.033 -12.886 -3.276 1.00 0.00 ATOM 307 CA VAL A 43 -5.218 -12.722 -4.713 1.00 0.00 ATOM 308 CB VAL A 43 -6.558 -13.330 -5.190 1.00 0.00 ATOM 309 CG1 VAL A 43 -6.760 -13.118 -6.682 1.00 0.00 ATOM 310 CG2 VAL A 43 -6.620 -14.811 -4.856 1.00 0.00 ATOM 311 O VAL A 43 -4.652 -10.883 -6.162 1.00 0.00 ATOM 312 C VAL A 43 -5.159 -11.245 -5.100 1.00 0.00 ATOM 313 N ILE A 44 -5.661 -10.396 -4.221 1.00 0.00 ATOM 314 CA ILE A 44 -5.712 -8.968 -4.490 1.00 0.00 ATOM 315 CB ILE A 44 -7.167 -8.442 -4.461 1.00 0.00 ATOM 316 CG1 ILE A 44 -8.037 -9.187 -5.480 1.00 0.00 ATOM 317 CG2 ILE A 44 -7.205 -6.942 -4.732 1.00 0.00 ATOM 318 CD1 ILE A 44 -7.595 -9.005 -6.917 1.00 0.00 ATOM 319 O ILE A 44 -5.313 -7.936 -2.357 1.00 0.00 ATOM 320 C ILE A 44 -4.872 -8.189 -3.478 1.00 0.00 ATOM 321 N PRO A 45 -3.637 -7.830 -3.857 1.00 0.00 ATOM 322 CA PRO A 45 -2.754 -7.025 -3.030 1.00 0.00 ATOM 323 CB PRO A 45 -1.358 -7.524 -3.424 1.00 0.00 ATOM 324 CG PRO A 45 -1.518 -8.254 -4.732 1.00 0.00 ATOM 325 CD PRO A 45 -2.978 -8.203 -5.111 1.00 0.00 ATOM 326 O PRO A 45 -3.034 -5.126 -4.484 1.00 0.00 ATOM 327 C PRO A 45 -2.893 -5.530 -3.326 1.00 0.00 ATOM 328 N ARG A 46 -2.850 -4.711 -2.285 1.00 0.00 ATOM 329 CA ARG A 46 -2.964 -3.270 -2.451 1.00 0.00 ATOM 330 CB ARG A 46 -3.940 -2.676 -1.434 1.00 0.00 ATOM 331 CG ARG A 46 -5.365 -3.192 -1.558 1.00 0.00 ATOM 332 CD ARG A 46 -6.294 -2.473 -0.591 1.00 0.00 ATOM 333 NE ARG A 46 -7.638 -3.056 -0.575 1.00 0.00 ATOM 334 CZ ARG A 46 -8.330 -3.315 0.541 1.00 0.00 ATOM 335 NH1 ARG A 46 -7.803 -3.054 1.731 1.00 0.00 ATOM 336 NH2 ARG A 46 -9.552 -3.825 0.467 1.00 0.00 ATOM 337 O ARG A 46 -0.682 -3.204 -1.716 1.00 0.00 ATOM 338 C ARG A 46 -1.600 -2.615 -2.290 1.00 0.00 ATOM 339 N ARG A 47 -1.471 -1.398 -2.794 1.00 0.00 ATOM 340 CA ARG A 47 -0.240 -0.643 -2.644 1.00 0.00 ATOM 341 CB ARG A 47 0.588 -0.655 -3.937 1.00 0.00 ATOM 342 CG ARG A 47 -0.150 -0.141 -5.160 1.00 0.00 ATOM 343 CD ARG A 47 0.728 -0.213 -6.398 1.00 0.00 ATOM 344 NE ARG A 47 0.017 0.209 -7.605 1.00 0.00 ATOM 345 CZ ARG A 47 0.555 0.959 -8.565 1.00 0.00 ATOM 346 NH1 ARG A 47 1.813 1.366 -8.468 1.00 0.00 ATOM 347 NH2 ARG A 47 -0.163 1.290 -9.634 1.00 0.00 ATOM 348 O ARG A 47 -1.541 1.370 -2.663 1.00 0.00 ATOM 349 C ARG A 47 -0.562 0.779 -2.210 1.00 0.00 ATOM 350 N VAL A 48 0.255 1.309 -1.319 1.00 0.00 ATOM 351 CA VAL A 48 -0.007 2.601 -0.713 1.00 0.00 ATOM 352 CB VAL A 48 0.211 2.559 0.817 1.00 0.00 ATOM 353 CG1 VAL A 48 -0.129 3.897 1.455 1.00 0.00 ATOM 354 CG2 VAL A 48 -0.610 1.441 1.445 1.00 0.00 ATOM 355 O VAL A 48 2.104 3.629 -1.211 1.00 0.00 ATOM 356 C VAL A 48 0.878 3.683 -1.316 1.00 0.00 ATOM 357 N LEU A 49 0.246 4.646 -1.964 1.00 0.00 ATOM 358 CA LEU A 49 0.928 5.816 -2.486 1.00 0.00 ATOM 359 CB LEU A 49 0.736 5.942 -4.008 1.00 0.00 ATOM 360 CG LEU A 49 1.407 4.864 -4.871 1.00 0.00 ATOM 361 CD1 LEU A 49 0.653 3.543 -4.798 1.00 0.00 ATOM 362 CD2 LEU A 49 1.511 5.336 -6.314 1.00 0.00 ATOM 363 O LEU A 49 -0.694 7.008 -1.202 1.00 0.00 ATOM 364 C LEU A 49 0.378 7.059 -1.803 1.00 0.00 ATOM 365 N VAL A 50 1.106 8.162 -1.873 1.00 0.00 ATOM 366 CA VAL A 50 0.606 9.431 -1.354 1.00 0.00 ATOM 367 CB VAL A 50 1.174 9.784 0.047 1.00 0.00 ATOM 368 CG1 VAL A 50 0.758 8.754 1.088 1.00 0.00 ATOM 369 CG2 VAL A 50 2.685 9.919 0.006 1.00 0.00 ATOM 370 O VAL A 50 1.715 10.377 -3.259 1.00 0.00 ATOM 371 C VAL A 50 0.932 10.556 -2.322 1.00 0.00 ATOM 372 N HIS A 51 0.317 11.705 -2.103 1.00 0.00 ATOM 373 CA HIS A 51 0.573 12.876 -2.923 1.00 0.00 ATOM 374 CB HIS A 51 -0.496 13.951 -2.696 1.00 0.00 ATOM 375 CG HIS A 51 -1.890 13.536 -3.079 1.00 0.00 ATOM 376 CD2 HIS A 51 -2.397 12.332 -3.441 1.00 0.00 ATOM 377 ND1 HIS A 51 -2.954 14.411 -3.105 1.00 0.00 ATOM 378 CE1 HIS A 51 -4.049 13.766 -3.462 1.00 0.00 ATOM 379 NE2 HIS A 51 -3.737 12.502 -3.674 1.00 0.00 ATOM 380 O HIS A 51 2.301 13.520 -1.403 1.00 0.00 ATOM 381 C HIS A 51 1.942 13.438 -2.579 1.00 0.00 ATOM 382 N GLU A 52 2.703 13.829 -3.593 1.00 0.00 ATOM 383 CA GLU A 52 4.047 14.355 -3.373 1.00 0.00 ATOM 384 CB GLU A 52 4.798 14.506 -4.699 1.00 0.00 ATOM 385 CG GLU A 52 5.153 13.170 -5.334 1.00 0.00 ATOM 386 CD GLU A 52 6.104 13.299 -6.508 1.00 0.00 ATOM 387 OE1 GLU A 52 7.268 13.688 -6.291 1.00 0.00 ATOM 388 OE2 GLU A 52 5.699 12.979 -7.644 1.00 0.00 ATOM 389 O GLU A 52 5.048 16.158 -2.137 1.00 0.00 ATOM 390 C GLU A 52 4.015 15.678 -2.603 1.00 0.00 ATOM 391 N ASP A 53 2.821 16.249 -2.463 1.00 0.00 ATOM 392 CA ASP A 53 2.613 17.411 -1.604 1.00 0.00 ATOM 393 CB ASP A 53 1.126 17.785 -1.553 1.00 0.00 ATOM 394 CG ASP A 53 0.565 18.221 -2.889 1.00 0.00 ATOM 395 OD1 ASP A 53 0.260 17.346 -3.726 1.00 0.00 ATOM 396 OD2 ASP A 53 0.387 19.441 -3.094 1.00 0.00 ATOM 397 O ASP A 53 3.687 17.944 0.487 1.00 0.00 ATOM 398 C ASP A 53 3.088 17.105 -0.189 1.00 0.00 ATOM 399 N ASP A 54 2.819 15.882 0.248 1.00 0.00 ATOM 400 CA ASP A 54 3.195 15.437 1.581 1.00 0.00 ATOM 401 CB ASP A 54 1.957 15.299 2.477 1.00 0.00 ATOM 402 CG ASP A 54 1.436 16.640 2.955 1.00 0.00 ATOM 403 OD1 ASP A 54 2.040 17.221 3.881 1.00 0.00 ATOM 404 OD2 ASP A 54 0.420 17.124 2.408 1.00 0.00 ATOM 405 O ASP A 54 3.839 13.282 2.403 1.00 0.00 ATOM 406 C ASP A 54 3.935 14.111 1.503 1.00 0.00 ATOM 407 N LEU A 55 4.699 13.940 0.427 1.00 0.00 ATOM 408 CA LEU A 55 5.432 12.703 0.183 1.00 0.00 ATOM 409 CB LEU A 55 6.248 12.834 -1.112 1.00 0.00 ATOM 410 CG LEU A 55 6.500 11.530 -1.882 1.00 0.00 ATOM 411 CD1 LEU A 55 7.386 10.577 -1.093 1.00 0.00 ATOM 412 CD2 LEU A 55 5.178 10.863 -2.227 1.00 0.00 ATOM 413 O LEU A 55 6.250 11.322 1.979 1.00 0.00 ATOM 414 C LEU A 55 6.352 12.387 1.362 1.00 0.00 ATOM 415 N ALA A 56 7.233 13.326 1.675 1.00 0.00 ATOM 416 CA ALA A 56 8.166 13.161 2.779 1.00 0.00 ATOM 417 CB ALA A 56 9.220 14.259 2.756 1.00 0.00 ATOM 418 O ALA A 56 7.863 12.483 5.055 1.00 0.00 ATOM 419 C ALA A 56 7.434 13.148 4.115 1.00 0.00 ATOM 420 N GLY A 57 6.316 13.866 4.179 1.00 0.00 ATOM 421 CA GLY A 57 5.551 13.959 5.411 1.00 0.00 ATOM 422 O GLY A 57 4.964 12.209 6.931 1.00 0.00 ATOM 423 C GLY A 57 4.883 12.650 5.784 1.00 0.00 ATOM 424 N ALA A 58 4.236 12.019 4.813 1.00 0.00 ATOM 425 CA ALA A 58 3.549 10.752 5.042 1.00 0.00 ATOM 426 CB ALA A 58 2.776 10.339 3.800 1.00 0.00 ATOM 427 O ALA A 58 4.294 8.901 6.370 1.00 0.00 ATOM 428 C ALA A 58 4.537 9.663 5.435 1.00 0.00 ATOM 429 N ARG A 59 5.661 9.599 4.725 1.00 0.00 ATOM 430 CA ARG A 59 6.689 8.608 5.023 1.00 0.00 ATOM 431 CB ARG A 59 7.743 8.578 3.913 1.00 0.00 ATOM 432 CG ARG A 59 7.161 8.234 2.551 1.00 0.00 ATOM 433 CD ARG A 59 8.227 8.151 1.471 1.00 0.00 ATOM 434 NE ARG A 59 9.167 7.053 1.694 1.00 0.00 ATOM 435 CZ ARG A 59 9.190 5.931 0.967 1.00 0.00 ATOM 436 NH1 ARG A 59 8.320 5.751 -0.022 1.00 0.00 ATOM 437 NH2 ARG A 59 10.088 4.991 1.221 1.00 0.00 ATOM 438 O ARG A 59 7.712 7.984 7.107 1.00 0.00 ATOM 439 C ARG A 59 7.331 8.898 6.377 1.00 0.00 ATOM 440 N ARG A 60 7.429 10.180 6.708 1.00 0.00 ATOM 441 CA ARG A 60 7.918 10.606 8.013 1.00 0.00 ATOM 442 CB ARG A 60 7.989 12.134 8.068 1.00 0.00 ATOM 443 CG ARG A 60 8.648 12.698 9.318 1.00 0.00 ATOM 444 CD ARG A 60 10.131 12.368 9.367 1.00 0.00 ATOM 445 NE ARG A 60 10.839 13.211 10.334 1.00 0.00 ATOM 446 CZ ARG A 60 12.140 13.116 10.602 1.00 0.00 ATOM 447 NH1 ARG A 60 12.873 12.163 10.043 1.00 0.00 ATOM 448 NH2 ARG A 60 12.702 13.967 11.452 1.00 0.00 ATOM 449 O ARG A 60 7.440 9.516 10.094 1.00 0.00 ATOM 450 C ARG A 60 6.991 10.087 9.106 1.00 0.00 ATOM 451 N LEU A 61 5.691 10.272 8.899 1.00 0.00 ATOM 452 CA LEU A 61 4.680 9.829 9.850 1.00 0.00 ATOM 453 CB LEU A 61 3.291 10.233 9.355 1.00 0.00 ATOM 454 CG LEU A 61 2.132 9.874 10.287 1.00 0.00 ATOM 455 CD1 LEU A 61 2.225 10.667 11.581 1.00 0.00 ATOM 456 CD2 LEU A 61 0.801 10.128 9.601 1.00 0.00 ATOM 457 O LEU A 61 4.853 7.836 11.178 1.00 0.00 ATOM 458 C LEU A 61 4.743 8.317 10.050 1.00 0.00 ATOM 459 N LEU A 62 4.689 7.577 8.945 1.00 0.00 ATOM 460 CA LEU A 62 4.688 6.116 8.984 1.00 0.00 ATOM 461 CB LEU A 62 4.549 5.546 7.570 1.00 0.00 ATOM 462 CG LEU A 62 3.266 5.935 6.827 1.00 0.00 ATOM 463 CD1 LEU A 62 3.256 5.329 5.432 1.00 0.00 ATOM 464 CD2 LEU A 62 2.035 5.495 7.610 1.00 0.00 ATOM 465 O LEU A 62 5.929 4.476 10.224 1.00 0.00 ATOM 466 C LEU A 62 5.952 5.560 9.638 1.00 0.00 ATOM 467 N THR A 63 7.048 6.292 9.535 1.00 0.00 ATOM 468 CA THR A 63 8.305 5.860 10.120 1.00 0.00 ATOM 469 CB THR A 63 9.502 6.445 9.345 1.00 0.00 ATOM 470 CG2 THR A 63 10.821 5.922 9.894 1.00 0.00 ATOM 471 OG1 THR A 63 9.397 6.107 7.957 1.00 0.00 ATOM 472 O THR A 63 8.716 5.446 12.453 1.00 0.00 ATOM 473 C THR A 63 8.399 6.266 11.592 1.00 0.00 ATOM 474 N ASP A 64 8.101 7.527 11.872 1.00 0.00 ATOM 475 CA ASP A 64 8.292 8.088 13.209 1.00 0.00 ATOM 476 CB ASP A 64 8.257 9.615 13.137 1.00 0.00 ATOM 477 CG ASP A 64 8.618 10.279 14.451 1.00 0.00 ATOM 478 OD1 ASP A 64 9.817 10.547 14.674 1.00 0.00 ATOM 479 OD2 ASP A 64 7.709 10.556 15.255 1.00 0.00 ATOM 480 O ASP A 64 7.550 7.216 15.322 1.00 0.00 ATOM 481 C ASP A 64 7.234 7.592 14.191 1.00 0.00 ATOM 482 N ALA A 65 5.983 7.570 13.754 1.00 0.00 ATOM 483 CA ALA A 65 4.880 7.226 14.641 1.00 0.00 ATOM 484 CB ALA A 65 4.114 8.484 15.024 1.00 0.00 ATOM 485 O ALA A 65 2.750 6.177 14.298 1.00 0.00 ATOM 486 C ALA A 65 3.944 6.206 14.005 1.00 0.00 ATOM 487 N GLY A 66 4.491 5.363 13.150 1.00 0.00 ATOM 488 CA GLY A 66 3.682 4.346 12.512 1.00 0.00 ATOM 489 O GLY A 66 3.662 2.256 13.670 1.00 0.00 ATOM 490 C GLY A 66 4.187 2.949 12.796 1.00 0.00 ATOM 491 N LEU A 67 5.218 2.547 12.066 1.00 0.00 ATOM 492 CA LEU A 67 5.767 1.203 12.187 1.00 0.00 ATOM 493 CB LEU A 67 4.767 0.164 11.646 1.00 0.00 ATOM 494 CG LEU A 67 4.157 0.465 10.271 1.00 0.00 ATOM 495 CD1 LEU A 67 4.930 -0.231 9.162 1.00 0.00 ATOM 496 CD2 LEU A 67 2.696 0.049 10.235 1.00 0.00 ATOM 497 O LEU A 67 8.063 0.534 12.036 1.00 0.00 ATOM 498 C LEU A 67 7.117 1.089 11.477 1.00 0.00 ATOM 499 N ALA A 68 7.194 1.645 10.259 1.00 0.00 ATOM 500 CA ALA A 68 8.409 1.604 9.434 1.00 0.00 ATOM 501 CB ALA A 68 9.515 2.442 10.062 1.00 0.00 ATOM 502 O ALA A 68 9.610 -0.393 10.025 1.00 0.00 ATOM 503 C ALA A 68 8.887 0.173 9.204 1.00 0.00 ATOM 504 N HIS A 69 8.483 -0.418 8.086 1.00 0.00 ATOM 505 CA HIS A 69 8.850 -1.802 7.805 1.00 0.00 ATOM 506 CB HIS A 69 7.927 -2.755 8.572 1.00 0.00 ATOM 507 CG HIS A 69 8.537 -4.095 8.858 1.00 0.00 ATOM 508 CD2 HIS A 69 8.709 -5.184 8.071 1.00 0.00 ATOM 509 ND1 HIS A 69 9.050 -4.433 10.088 1.00 0.00 ATOM 510 CE1 HIS A 69 9.510 -5.668 10.049 1.00 0.00 ATOM 511 NE2 HIS A 69 9.317 -6.150 8.837 1.00 0.00 ATOM 512 O HIS A 69 9.793 -2.357 5.667 1.00 0.00 ATOM 513 C HIS A 69 8.777 -2.101 6.308 1.00 0.00 ATOM 514 N GLU A 70 7.573 -2.037 5.756 1.00 0.00 ATOM 515 CA GLU A 70 7.333 -2.444 4.372 1.00 0.00 ATOM 516 CB GLU A 70 5.894 -2.948 4.229 1.00 0.00 ATOM 517 CG GLU A 70 5.536 -4.073 5.189 1.00 0.00 ATOM 518 CD GLU A 70 6.289 -5.352 4.899 1.00 0.00 ATOM 519 OE1 GLU A 70 7.490 -5.435 5.232 1.00 0.00 ATOM 520 OE2 GLU A 70 5.683 -6.286 4.338 1.00 0.00 ATOM 521 O GLU A 70 7.142 -1.359 2.238 1.00 0.00 ATOM 522 C GLU A 70 7.569 -1.295 3.393 1.00 0.00 ATOM 523 N LEU A 71 8.261 -0.258 3.845 1.00 0.00 ATOM 524 CA LEU A 71 8.457 0.940 3.039 1.00 0.00 ATOM 525 CB LEU A 71 8.911 2.107 3.920 1.00 0.00 ATOM 526 CG LEU A 71 7.904 2.543 4.987 1.00 0.00 ATOM 527 CD1 LEU A 71 8.484 3.657 5.842 1.00 0.00 ATOM 528 CD2 LEU A 71 6.597 2.991 4.343 1.00 0.00 ATOM 529 O LEU A 71 10.582 0.252 2.147 1.00 0.00 ATOM 530 C LEU A 71 9.463 0.703 1.914 1.00 0.00 ATOM 531 N ARG A 72 9.038 1.007 0.696 1.00 0.00 ATOM 532 CA ARG A 72 9.878 0.882 -0.481 1.00 0.00 ATOM 533 CB ARG A 72 9.215 -0.074 -1.481 1.00 0.00 ATOM 534 CG ARG A 72 10.115 -0.511 -2.628 1.00 0.00 ATOM 535 CD ARG A 72 11.331 -1.274 -2.125 1.00 0.00 ATOM 536 NE ARG A 72 12.126 -1.820 -3.223 1.00 0.00 ATOM 537 CZ ARG A 72 13.434 -2.053 -3.150 1.00 0.00 ATOM 538 NH1 ARG A 72 14.113 -1.733 -2.056 1.00 0.00 ATOM 539 NH2 ARG A 72 14.073 -2.599 -4.174 1.00 0.00 ATOM 540 O ARG A 72 9.381 3.212 -0.743 1.00 0.00 ATOM 541 C ARG A 72 10.080 2.264 -1.102 1.00 0.00 ATOM 542 N SER A 73 11.029 2.383 -2.014 1.00 0.00 ATOM 543 CA SER A 73 11.337 3.661 -2.638 1.00 0.00 ATOM 544 CB SER A 73 12.849 3.896 -2.589 1.00 0.00 ATOM 545 OG SER A 73 13.571 2.719 -2.936 1.00 0.00 ATOM 546 O SER A 73 10.316 2.713 -4.595 1.00 0.00 ATOM 547 C SER A 73 10.837 3.705 -4.082 1.00 0.00 ATOM 548 N ASP A 74 10.974 4.862 -4.723 1.00 0.00 ATOM 549 CA ASP A 74 10.698 4.972 -6.150 1.00 0.00 ATOM 550 CB ASP A 74 10.236 6.394 -6.541 1.00 0.00 ATOM 551 CG ASP A 74 11.239 7.490 -6.216 1.00 0.00 ATOM 552 OD1 ASP A 74 11.874 8.016 -7.152 1.00 0.00 ATOM 553 OD2 ASP A 74 11.378 7.848 -5.028 1.00 0.00 ATOM 554 O ASP A 74 12.670 5.349 -7.496 1.00 0.00 ATOM 555 C ASP A 74 11.935 4.539 -6.938 1.00 0.00 ATOM 556 N ASP A 75 12.177 3.239 -6.925 1.00 0.00 ATOM 557 CA ASP A 75 13.360 2.657 -7.547 1.00 0.00 ATOM 558 CB ASP A 75 13.929 1.549 -6.642 1.00 0.00 ATOM 559 CG ASP A 75 12.847 0.775 -5.903 1.00 0.00 ATOM 560 OD1 ASP A 75 12.157 -0.059 -6.529 1.00 0.00 ATOM 561 OD2 ASP A 75 12.682 1.008 -4.687 1.00 0.00 ATOM 562 O ASP A 75 12.534 2.884 -9.773 1.00 0.00 ATOM 563 C ASP A 75 13.043 2.110 -8.937 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_407728122.pdb -s /var/tmp/to_scwrl_407728122.seq -o /var/tmp/from_scwrl_407728122.pdb > /var/tmp/scwrl_407728122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_407728122.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 72 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -54.000 # GDT_score(maxd=8.000,maxw=2.900)= -54.788 # GDT_score(maxd=8.000,maxw=3.200)= -51.580 # GDT_score(maxd=8.000,maxw=3.500)= -48.839 # GDT_score(maxd=10.000,maxw=3.800)= -53.056 # GDT_score(maxd=10.000,maxw=4.000)= -51.336 # GDT_score(maxd=10.000,maxw=4.200)= -49.668 # GDT_score(maxd=12.000,maxw=4.300)= -53.941 # GDT_score(maxd=12.000,maxw=4.500)= -52.255 # GDT_score(maxd=12.000,maxw=4.700)= -50.672 # GDT_score(maxd=14.000,maxw=5.200)= -50.802 # GDT_score(maxd=14.000,maxw=5.500)= -48.773 # command:# request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1525657857.pdb -s /var/tmp/to_scwrl_1525657857.seq -o /var/tmp/from_scwrl_1525657857.pdb > /var/tmp/scwrl_1525657857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525657857.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 43 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -67.000 # GDT_score(maxd=8.000,maxw=2.900)= -69.311 # GDT_score(maxd=8.000,maxw=3.200)= -66.550 # GDT_score(maxd=8.000,maxw=3.500)= -63.770 # GDT_score(maxd=10.000,maxw=3.800)= -66.055 # GDT_score(maxd=10.000,maxw=4.000)= -64.164 # GDT_score(maxd=10.000,maxw=4.200)= -62.146 # GDT_score(maxd=12.000,maxw=4.300)= -65.532 # GDT_score(maxd=12.000,maxw=4.500)= -63.544 # GDT_score(maxd=12.000,maxw=4.700)= -61.593 # GDT_score(maxd=14.000,maxw=5.200)= -60.584 # GDT_score(maxd=14.000,maxw=5.500)= -58.152 # command:# request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_569049716.pdb -s /var/tmp/to_scwrl_569049716.seq -o /var/tmp/from_scwrl_569049716.pdb > /var/tmp/scwrl_569049716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_569049716.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 74 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -67.333 # GDT_score(maxd=8.000,maxw=2.900)= -69.698 # GDT_score(maxd=8.000,maxw=3.200)= -66.676 # GDT_score(maxd=8.000,maxw=3.500)= -63.722 # GDT_score(maxd=10.000,maxw=3.800)= -65.974 # GDT_score(maxd=10.000,maxw=4.000)= -64.107 # GDT_score(maxd=10.000,maxw=4.200)= -62.212 # GDT_score(maxd=12.000,maxw=4.300)= -65.588 # GDT_score(maxd=12.000,maxw=4.500)= -63.731 # GDT_score(maxd=12.000,maxw=4.700)= -61.901 # GDT_score(maxd=14.000,maxw=5.200)= -60.940 # GDT_score(maxd=14.000,maxw=5.500)= -58.562 # command:# request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1012468475.pdb -s /var/tmp/to_scwrl_1012468475.seq -o /var/tmp/from_scwrl_1012468475.pdb > /var/tmp/scwrl_1012468475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012468475.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 72 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -64.333 # GDT_score(maxd=8.000,maxw=2.900)= -66.963 # GDT_score(maxd=8.000,maxw=3.200)= -64.051 # GDT_score(maxd=8.000,maxw=3.500)= -61.005 # GDT_score(maxd=10.000,maxw=3.800)= -63.482 # GDT_score(maxd=10.000,maxw=4.000)= -61.422 # GDT_score(maxd=10.000,maxw=4.200)= -59.386 # GDT_score(maxd=12.000,maxw=4.300)= -62.877 # GDT_score(maxd=12.000,maxw=4.500)= -60.912 # GDT_score(maxd=12.000,maxw=4.700)= -59.114 # GDT_score(maxd=14.000,maxw=5.200)= -58.430 # GDT_score(maxd=14.000,maxw=5.500)= -56.147 # command:# request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1897533984.pdb -s /var/tmp/to_scwrl_1897533984.seq -o /var/tmp/from_scwrl_1897533984.pdb > /var/tmp/scwrl_1897533984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897533984.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 T0349.try1-opt2.pdb looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -48.333 # GDT_score(maxd=8.000,maxw=2.900)= -46.667 # GDT_score(maxd=8.000,maxw=3.200)= -44.165 # GDT_score(maxd=8.000,maxw=3.500)= -41.766 # GDT_score(maxd=10.000,maxw=3.800)= -46.307 # GDT_score(maxd=10.000,maxw=4.000)= -44.754 # GDT_score(maxd=10.000,maxw=4.200)= -43.321 # GDT_score(maxd=12.000,maxw=4.300)= -47.777 # GDT_score(maxd=12.000,maxw=4.500)= -46.305 # GDT_score(maxd=12.000,maxw=4.700)= -44.959 # GDT_score(maxd=14.000,maxw=5.200)= -45.551 # GDT_score(maxd=14.000,maxw=5.500)= -43.686 # command:# Prefix for output files set to # command:EXPDTA T0349.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0349.try1-opt2.pdb ATOM 1 N MET A 1 7.711 -0.501 -7.563 1.00 0.00 ATOM 2 CA MET A 1 7.651 0.959 -7.539 1.00 0.00 ATOM 3 CB MET A 1 6.414 1.459 -8.297 1.00 0.00 ATOM 4 CG MET A 1 6.357 2.959 -8.521 1.00 0.00 ATOM 5 SD MET A 1 4.782 3.502 -9.526 1.00 0.00 ATOM 6 CE MET A 1 3.666 3.948 -8.059 1.00 0.00 ATOM 7 O MET A 1 6.891 0.913 -5.267 1.00 0.00 ATOM 8 C MET A 1 7.605 1.471 -6.106 1.00 0.00 ATOM 9 N ARG A 2 8.305 2.545 -5.788 1.00 0.00 ATOM 10 CA ARG A 2 8.412 3.038 -4.420 1.00 0.00 ATOM 11 CB ARG A 2 9.485 4.401 -4.760 1.00 0.00 ATOM 12 CG ARG A 2 9.748 4.572 -6.239 1.00 0.00 ATOM 13 CD ARG A 2 8.990 5.775 -6.769 1.00 0.00 ATOM 14 NE ARG A 2 9.810 6.979 -6.797 1.00 0.00 ATOM 15 CZ ARG A 2 9.339 8.196 -7.047 1.00 0.00 ATOM 16 NH1 ARG A 2 8.046 8.377 -7.279 1.00 0.00 ATOM 17 NH2 ARG A 2 10.166 9.229 -7.092 1.00 0.00 ATOM 18 O ARG A 2 6.971 3.540 -2.588 1.00 0.00 ATOM 19 C ARG A 2 7.093 3.512 -3.817 1.00 0.00 ATOM 20 N GLU A 3 6.115 3.853 -4.628 1.00 0.00 ATOM 21 CA GLU A 3 4.821 4.298 -4.125 1.00 0.00 ATOM 22 CB GLU A 3 4.076 5.086 -5.203 1.00 0.00 ATOM 23 CG GLU A 3 4.858 6.156 -5.919 1.00 0.00 ATOM 24 CD GLU A 3 4.971 7.440 -5.121 1.00 0.00 ATOM 25 OE1 GLU A 3 4.476 7.477 -3.974 1.00 0.00 ATOM 26 OE2 GLU A 3 5.561 8.399 -5.656 1.00 0.00 ATOM 27 O GLU A 3 2.877 3.371 -3.091 1.00 0.00 ATOM 28 C GLU A 3 3.908 3.134 -3.730 1.00 0.00 ATOM 29 N LEU A 4 4.252 1.914 -4.106 1.00 0.00 ATOM 30 CA LEU A 4 3.435 0.742 -3.824 1.00 0.00 ATOM 31 CB LEU A 4 3.720 -0.354 -4.891 1.00 0.00 ATOM 32 CG LEU A 4 3.539 0.132 -6.336 1.00 0.00 ATOM 33 CD1 LEU A 4 3.881 -0.988 -7.323 1.00 0.00 ATOM 34 CD2 LEU A 4 2.116 0.624 -6.580 1.00 0.00 ATOM 35 O LEU A 4 4.755 -0.150 -2.062 1.00 0.00 ATOM 36 C LEU A 4 3.623 0.130 -2.465 1.00 0.00 ATOM 37 N LEU A 5 2.555 -0.167 -1.745 1.00 0.00 ATOM 38 CA LEU A 5 2.689 -0.768 -0.420 1.00 0.00 ATOM 39 CB LEU A 5 1.910 0.027 0.635 1.00 0.00 ATOM 40 CG LEU A 5 2.286 1.505 0.741 1.00 0.00 ATOM 41 CD1 LEU A 5 1.494 2.200 1.836 1.00 0.00 ATOM 42 CD2 LEU A 5 3.795 1.683 0.981 1.00 0.00 ATOM 43 O LEU A 5 1.175 -2.426 -1.226 1.00 0.00 ATOM 44 C LEU A 5 2.108 -2.170 -0.478 1.00 0.00 ATOM 45 N ARG A 6 2.719 -3.078 0.269 1.00 0.00 ATOM 46 CA ARG A 6 2.215 -4.450 0.291 1.00 0.00 ATOM 47 CB ARG A 6 3.279 -5.547 0.275 1.00 0.00 ATOM 48 CG ARG A 6 2.720 -6.955 0.405 1.00 0.00 ATOM 49 CD ARG A 6 3.830 -7.994 0.377 1.00 0.00 ATOM 50 NE ARG A 6 3.317 -9.348 0.575 1.00 0.00 ATOM 51 CZ ARG A 6 4.083 -10.421 0.738 1.00 0.00 ATOM 52 NH1 ARG A 6 3.528 -11.612 0.911 1.00 0.00 ATOM 53 NH2 ARG A 6 5.404 -10.300 0.728 1.00 0.00 ATOM 54 O ARG A 6 2.020 -4.190 2.645 1.00 0.00 ATOM 55 C ARG A 6 1.459 -4.545 1.604 1.00 0.00 ATOM 56 N THR A 7 0.240 -5.072 1.583 1.00 0.00 ATOM 57 CA THR A 7 -0.452 -5.320 2.850 1.00 0.00 ATOM 58 CB THR A 7 -1.809 -4.595 2.903 1.00 0.00 ATOM 59 CG2 THR A 7 -1.611 -3.088 2.852 1.00 0.00 ATOM 60 OG1 THR A 7 -2.612 -4.996 1.785 1.00 0.00 ATOM 61 O THR A 7 -1.223 -7.483 2.129 1.00 0.00 ATOM 62 C THR A 7 -0.714 -6.812 3.021 1.00 0.00 ATOM 63 N ASN A 8 -0.444 -7.322 4.221 1.00 0.00 ATOM 64 CA ASN A 8 -0.650 -8.744 4.485 1.00 0.00 ATOM 65 CB ASN A 8 0.608 -9.354 5.106 1.00 0.00 ATOM 66 CG ASN A 8 1.806 -9.289 4.177 1.00 0.00 ATOM 67 ND2 ASN A 8 2.784 -8.462 4.530 1.00 0.00 ATOM 68 OD1 ASN A 8 1.847 -9.975 3.155 1.00 0.00 ATOM 69 O ASN A 8 -2.274 -10.150 5.589 1.00 0.00 ATOM 70 C ASN A 8 -1.799 -9.020 5.443 1.00 0.00 ATOM 71 N ASP A 9 -2.279 -7.995 6.145 1.00 0.00 ATOM 72 CA ASP A 9 -3.318 -8.256 7.142 1.00 0.00 ATOM 73 CB ASP A 9 -2.695 -8.771 8.442 1.00 0.00 ATOM 74 CG ASP A 9 -1.795 -7.748 9.103 1.00 0.00 ATOM 75 OD1 ASP A 9 -1.871 -6.559 8.728 1.00 0.00 ATOM 76 OD2 ASP A 9 -1.012 -8.134 9.997 1.00 0.00 ATOM 77 O ASP A 9 -3.768 -5.881 6.884 1.00 0.00 ATOM 78 C ASP A 9 -4.065 -6.936 7.450 1.00 0.00 ATOM 79 N ALA A 10 -5.107 -7.036 8.283 1.00 0.00 ATOM 80 CA ALA A 10 -5.974 -5.909 8.521 1.00 0.00 ATOM 81 CB ALA A 10 -7.177 -6.330 9.351 1.00 0.00 ATOM 82 O ALA A 10 -5.536 -3.621 9.050 1.00 0.00 ATOM 83 C ALA A 10 -5.218 -4.803 9.202 1.00 0.00 ATOM 84 N VAL A 11 -4.249 -5.163 10.050 1.00 0.00 ATOM 85 CA VAL A 11 -3.490 -4.111 10.692 1.00 0.00 ATOM 86 CB VAL A 11 -2.509 -4.679 11.734 1.00 0.00 ATOM 87 CG1 VAL A 11 -1.602 -3.579 12.265 1.00 0.00 ATOM 88 CG2 VAL A 11 -3.268 -5.284 12.905 1.00 0.00 ATOM 89 O VAL A 11 -2.666 -2.072 9.749 1.00 0.00 ATOM 90 C VAL A 11 -2.712 -3.290 9.655 1.00 0.00 ATOM 91 N LEU A 12 -2.134 -3.961 8.709 1.00 0.00 ATOM 92 CA LEU A 12 -1.468 -3.232 7.627 1.00 0.00 ATOM 93 CB LEU A 12 -0.862 -4.160 6.608 1.00 0.00 ATOM 94 CG LEU A 12 0.373 -4.923 7.101 1.00 0.00 ATOM 95 CD1 LEU A 12 0.860 -5.868 6.016 1.00 0.00 ATOM 96 CD2 LEU A 12 1.470 -3.942 7.496 1.00 0.00 ATOM 97 O LEU A 12 -2.165 -1.112 6.691 1.00 0.00 ATOM 98 C LEU A 12 -2.472 -2.294 6.958 1.00 0.00 ATOM 99 N LEU A 13 -3.631 -2.829 6.678 1.00 0.00 ATOM 100 CA LEU A 13 -4.649 -2.031 6.047 1.00 0.00 ATOM 101 CB LEU A 13 -5.833 -2.996 5.676 1.00 0.00 ATOM 102 CG LEU A 13 -7.025 -2.322 5.008 1.00 0.00 ATOM 103 CD1 LEU A 13 -6.643 -1.729 3.668 1.00 0.00 ATOM 104 CD2 LEU A 13 -8.167 -3.331 4.851 1.00 0.00 ATOM 105 O LEU A 13 -5.320 0.235 6.411 1.00 0.00 ATOM 106 C LEU A 13 -5.089 -0.867 6.919 1.00 0.00 ATOM 107 N SER A 14 -5.183 -1.120 8.227 1.00 0.00 ATOM 108 CA SER A 14 -5.617 -0.039 9.110 1.00 0.00 ATOM 109 CB SER A 14 -5.862 -0.566 10.525 1.00 0.00 ATOM 110 OG SER A 14 -4.657 -1.016 11.117 1.00 0.00 ATOM 111 O SER A 14 -4.981 2.266 9.328 1.00 0.00 ATOM 112 C SER A 14 -4.612 1.106 9.141 1.00 0.00 ATOM 113 N ALA A 15 -3.315 0.808 8.963 1.00 0.00 ATOM 114 CA ALA A 15 -2.247 1.799 8.949 1.00 0.00 ATOM 115 CB ALA A 15 -0.846 1.207 8.908 1.00 0.00 ATOM 116 O ALA A 15 -2.346 3.924 7.839 1.00 0.00 ATOM 117 C ALA A 15 -2.440 2.708 7.737 1.00 0.00 ATOM 118 N VAL A 16 -2.686 2.124 6.592 1.00 0.00 ATOM 119 CA VAL A 16 -3.022 2.925 5.415 1.00 0.00 ATOM 120 CB VAL A 16 -3.157 2.032 4.165 1.00 0.00 ATOM 121 CG1 VAL A 16 -3.499 2.880 2.946 1.00 0.00 ATOM 122 CG2 VAL A 16 -1.849 1.285 3.924 1.00 0.00 ATOM 123 O VAL A 16 -4.302 4.926 5.189 1.00 0.00 ATOM 124 C VAL A 16 -4.281 3.778 5.620 1.00 0.00 ATOM 125 N GLY A 17 -5.264 3.186 6.279 1.00 0.00 ATOM 126 CA GLY A 17 -6.510 3.924 6.542 1.00 0.00 ATOM 127 O GLY A 17 -6.729 6.237 7.097 1.00 0.00 ATOM 128 C GLY A 17 -6.232 5.151 7.389 1.00 0.00 ATOM 129 N ALA A 18 -5.423 4.988 8.442 1.00 0.00 ATOM 130 CA ALA A 18 -5.074 6.088 9.328 1.00 0.00 ATOM 131 CB ALA A 18 -4.254 5.589 10.507 1.00 0.00 ATOM 132 O ALA A 18 -4.415 8.332 8.787 1.00 0.00 ATOM 133 C ALA A 18 -4.257 7.131 8.573 1.00 0.00 ATOM 134 N LEU A 19 -3.426 6.650 7.696 1.00 0.00 ATOM 135 CA LEU A 19 -2.591 7.530 6.889 1.00 0.00 ATOM 136 CB LEU A 19 -1.673 6.730 5.964 1.00 0.00 ATOM 137 CG LEU A 19 -0.771 7.545 5.034 1.00 0.00 ATOM 138 CD1 LEU A 19 0.186 8.413 5.838 1.00 0.00 ATOM 139 CD2 LEU A 19 0.054 6.628 4.144 1.00 0.00 ATOM 140 O LEU A 19 -3.220 9.604 5.835 1.00 0.00 ATOM 141 C LEU A 19 -3.464 8.400 5.995 1.00 0.00 ATOM 142 N LEU A 20 -4.435 7.760 5.362 1.00 0.00 ATOM 143 CA LEU A 20 -5.349 8.459 4.471 1.00 0.00 ATOM 144 CB LEU A 20 -6.278 7.468 3.777 1.00 0.00 ATOM 145 CG LEU A 20 -7.383 8.018 2.873 1.00 0.00 ATOM 146 CD1 LEU A 20 -6.775 8.962 1.845 1.00 0.00 ATOM 147 CD2 LEU A 20 -8.138 6.867 2.191 1.00 0.00 ATOM 148 O LEU A 20 -6.332 10.635 4.772 1.00 0.00 ATOM 149 C LEU A 20 -6.173 9.498 5.223 1.00 0.00 ATOM 150 N ASP A 21 -6.713 9.120 6.382 1.00 0.00 ATOM 151 CA ASP A 21 -7.512 10.097 7.130 1.00 0.00 ATOM 152 CB ASP A 21 -8.268 9.433 8.295 1.00 0.00 ATOM 153 CG ASP A 21 -9.388 8.502 7.826 1.00 0.00 ATOM 154 OD1 ASP A 21 -10.111 8.853 6.856 1.00 0.00 ATOM 155 OD2 ASP A 21 -9.556 7.411 8.445 1.00 0.00 ATOM 156 O ASP A 21 -7.195 12.376 7.803 1.00 0.00 ATOM 157 C ASP A 21 -6.695 11.249 7.692 1.00 0.00 ATOM 158 N GLY A 22 -5.437 10.963 8.021 1.00 0.00 ATOM 159 CA GLY A 22 -4.522 11.947 8.584 1.00 0.00 ATOM 160 O GLY A 22 -3.214 13.766 7.734 1.00 0.00 ATOM 161 C GLY A 22 -3.664 12.628 7.524 1.00 0.00 ATOM 162 N ALA A 23 -3.453 11.939 6.325 1.00 0.00 ATOM 163 CA ALA A 23 -2.744 12.528 5.182 1.00 0.00 ATOM 164 CB ALA A 23 -1.381 11.889 4.964 1.00 0.00 ATOM 165 O ALA A 23 -4.566 11.581 3.962 1.00 0.00 ATOM 166 C ALA A 23 -3.658 12.412 3.980 1.00 0.00 ATOM 167 N ASP A 24 -3.437 13.274 2.962 1.00 0.00 ATOM 168 CA ASP A 24 -4.228 13.227 1.740 1.00 0.00 ATOM 169 CB ASP A 24 -4.277 14.623 1.115 1.00 0.00 ATOM 170 CG ASP A 24 -5.171 14.683 -0.109 1.00 0.00 ATOM 171 OD1 ASP A 24 -5.660 13.618 -0.539 1.00 0.00 ATOM 172 OD2 ASP A 24 -5.382 15.795 -0.636 1.00 0.00 ATOM 173 O ASP A 24 -2.580 12.444 0.164 1.00 0.00 ATOM 174 C ASP A 24 -3.645 12.219 0.737 1.00 0.00 ATOM 175 N ILE A 25 -4.336 11.110 0.594 1.00 0.00 ATOM 176 CA ILE A 25 -3.880 10.012 -0.253 1.00 0.00 ATOM 177 CB ILE A 25 -3.938 8.680 0.539 1.00 0.00 ATOM 178 CG1 ILE A 25 -3.171 8.773 1.858 1.00 0.00 ATOM 179 CG2 ILE A 25 -3.425 7.546 -0.307 1.00 0.00 ATOM 180 CD1 ILE A 25 -1.688 8.907 1.754 1.00 0.00 ATOM 181 O ILE A 25 -6.061 9.990 -1.222 1.00 0.00 ATOM 182 C ILE A 25 -4.833 9.906 -1.440 1.00 0.00 ATOM 183 N GLY A 26 -4.247 9.773 -2.684 1.00 0.00 ATOM 184 CA GLY A 26 -5.044 9.474 -3.859 1.00 0.00 ATOM 185 O GLY A 26 -3.788 7.664 -4.779 1.00 0.00 ATOM 186 C GLY A 26 -4.845 8.011 -4.242 1.00 0.00 ATOM 187 N HIS A 27 -5.812 7.162 -3.878 1.00 0.00 ATOM 188 CA HIS A 27 -5.658 5.756 -4.230 1.00 0.00 ATOM 189 CB HIS A 27 -6.628 4.918 -3.387 1.00 0.00 ATOM 190 CG HIS A 27 -6.481 5.142 -1.918 1.00 0.00 ATOM 191 CD2 HIS A 27 -5.578 4.664 -1.027 1.00 0.00 ATOM 192 ND1 HIS A 27 -7.261 6.043 -1.224 1.00 0.00 ATOM 193 CE1 HIS A 27 -6.839 6.121 0.027 1.00 0.00 ATOM 194 NE2 HIS A 27 -5.819 5.293 0.174 1.00 0.00 ATOM 195 O HIS A 27 -6.767 5.997 -6.344 1.00 0.00 ATOM 196 C HIS A 27 -5.803 5.528 -5.729 1.00 0.00 ATOM 197 N LEU A 28 -4.859 4.773 -6.282 1.00 0.00 ATOM 198 CA LEU A 28 -4.902 4.407 -7.696 1.00 0.00 ATOM 199 CB LEU A 28 -3.507 4.495 -8.318 1.00 0.00 ATOM 200 CG LEU A 28 -2.873 5.887 -8.368 1.00 0.00 ATOM 201 CD1 LEU A 28 -1.449 5.811 -8.896 1.00 0.00 ATOM 202 CD2 LEU A 28 -3.670 6.807 -9.280 1.00 0.00 ATOM 203 O LEU A 28 -6.348 2.719 -8.613 1.00 0.00 ATOM 204 C LEU A 28 -5.410 2.983 -7.869 1.00 0.00 ATOM 205 N VAL A 29 -4.855 2.035 -7.133 1.00 0.00 ATOM 206 CA VAL A 29 -5.293 0.646 -7.253 1.00 0.00 ATOM 207 CB VAL A 29 -4.461 -0.120 -8.298 1.00 0.00 ATOM 208 CG1 VAL A 29 -4.929 -1.564 -8.397 1.00 0.00 ATOM 209 CG2 VAL A 29 -4.601 0.525 -9.669 1.00 0.00 ATOM 210 O VAL A 29 -3.975 -0.168 -5.503 1.00 0.00 ATOM 211 C VAL A 29 -5.143 -0.053 -5.912 1.00 0.00 ATOM 212 N LEU A 30 -6.135 -0.510 -5.037 1.00 0.00 ATOM 213 CA LEU A 30 -7.530 -0.336 -5.413 1.00 0.00 ATOM 214 CB LEU A 30 -8.440 -1.161 -4.500 1.00 0.00 ATOM 215 CG LEU A 30 -8.209 -2.673 -4.504 1.00 0.00 ATOM 216 CD1 LEU A 30 -9.100 -3.354 -3.475 1.00 0.00 ATOM 217 CD2 LEU A 30 -8.527 -3.263 -5.870 1.00 0.00 ATOM 218 O LEU A 30 -7.169 2.009 -5.061 1.00 0.00 ATOM 219 C LEU A 30 -7.988 1.125 -5.314 1.00 0.00 ATOM 220 N ASP A 31 -9.389 1.107 -5.491 1.00 0.00 ATOM 221 CA ASP A 31 -9.882 2.469 -5.573 1.00 0.00 ATOM 222 CB ASP A 31 -11.306 2.489 -6.136 1.00 0.00 ATOM 223 CG ASP A 31 -11.350 2.178 -7.618 1.00 0.00 ATOM 224 OD1 ASP A 31 -10.278 2.190 -8.261 1.00 0.00 ATOM 225 OD2 ASP A 31 -12.456 1.923 -8.140 1.00 0.00 ATOM 226 O ASP A 31 -9.907 4.384 -4.142 1.00 0.00 ATOM 227 C ASP A 31 -9.922 3.159 -4.218 1.00 0.00 ATOM 228 N GLN A 32 -9.935 2.364 -3.149 1.00 0.00 ATOM 229 CA GLN A 32 -10.179 2.966 -1.833 1.00 0.00 ATOM 230 CB GLN A 32 -11.677 3.176 -1.609 1.00 0.00 ATOM 231 CG GLN A 32 -12.489 1.892 -1.590 1.00 0.00 ATOM 232 CD GLN A 32 -13.977 2.144 -1.441 1.00 0.00 ATOM 233 OE1 GLN A 32 -14.422 3.291 -1.414 1.00 0.00 ATOM 234 NE2 GLN A 32 -14.751 1.069 -1.344 1.00 0.00 ATOM 235 O GLN A 32 -9.849 0.751 -0.953 1.00 0.00 ATOM 236 C GLN A 32 -9.715 1.967 -0.773 1.00 0.00 ATOM 237 N ASN A 33 -9.372 2.633 0.447 1.00 0.00 ATOM 238 CA ASN A 33 -8.833 1.784 1.510 1.00 0.00 ATOM 239 CB ASN A 33 -8.949 2.721 2.889 1.00 0.00 ATOM 240 CG ASN A 33 -7.853 2.564 3.930 1.00 0.00 ATOM 241 ND2 ASN A 33 -8.206 1.853 5.002 1.00 0.00 ATOM 242 OD1 ASN A 33 -6.749 3.033 3.749 1.00 0.00 ATOM 243 O ASN A 33 -9.477 -0.377 2.315 1.00 0.00 ATOM 244 C ASN A 33 -9.855 0.717 1.874 1.00 0.00 ATOM 245 N MET A 34 -11.150 1.003 1.716 1.00 0.00 ATOM 246 CA MET A 34 -12.127 0.001 2.135 1.00 0.00 ATOM 247 CB MET A 34 -13.536 0.596 2.125 1.00 0.00 ATOM 248 CG MET A 34 -13.765 1.668 3.177 1.00 0.00 ATOM 249 SD MET A 34 -13.562 1.045 4.858 1.00 0.00 ATOM 250 CE MET A 34 -14.991 -0.022 4.999 1.00 0.00 ATOM 251 O MET A 34 -12.797 -2.216 1.611 1.00 0.00 ATOM 252 C MET A 34 -12.146 -1.234 1.239 1.00 0.00 ATOM 253 N SER A 35 -11.475 -1.181 0.098 1.00 0.00 ATOM 254 CA SER A 35 -11.472 -2.253 -0.883 1.00 0.00 ATOM 255 CB SER A 35 -11.516 -1.680 -2.302 1.00 0.00 ATOM 256 OG SER A 35 -12.711 -0.949 -2.518 1.00 0.00 ATOM 257 O SER A 35 -10.356 -4.316 -1.296 1.00 0.00 ATOM 258 C SER A 35 -10.313 -3.228 -0.713 1.00 0.00 ATOM 259 N ILE A 36 -9.314 -2.873 0.088 1.00 0.00 ATOM 260 CA ILE A 36 -8.160 -3.737 0.348 1.00 0.00 ATOM 261 CB ILE A 36 -7.073 -2.954 1.123 1.00 0.00 ATOM 262 CG1 ILE A 36 -6.614 -1.711 0.340 1.00 0.00 ATOM 263 CG2 ILE A 36 -5.883 -3.835 1.486 1.00 0.00 ATOM 264 CD1 ILE A 36 -5.931 -1.985 -0.983 1.00 0.00 ATOM 265 O ILE A 36 -9.130 -5.101 2.036 1.00 0.00 ATOM 266 C ILE A 36 -8.439 -5.060 1.019 1.00 0.00 ATOM 267 N LEU A 37 -7.881 -6.193 0.439 1.00 0.00 ATOM 268 CA LEU A 37 -8.083 -7.523 0.983 1.00 0.00 ATOM 269 CB LEU A 37 -8.455 -8.466 -0.163 1.00 0.00 ATOM 270 CG LEU A 37 -9.772 -8.174 -0.882 1.00 0.00 ATOM 271 CD1 LEU A 37 -9.977 -9.136 -2.042 1.00 0.00 ATOM 272 CD2 LEU A 37 -10.949 -8.320 0.071 1.00 0.00 ATOM 273 O LEU A 37 -5.697 -7.685 1.108 1.00 0.00 ATOM 274 C LEU A 37 -6.771 -8.055 1.570 1.00 0.00 ATOM 275 N GLU A 38 -6.856 -8.971 2.522 1.00 0.00 ATOM 276 CA GLU A 38 -5.720 -9.714 3.023 1.00 0.00 ATOM 277 CB GLU A 38 -5.708 -9.786 4.397 1.00 0.00 ATOM 278 CG GLU A 38 -6.668 -9.021 5.305 1.00 0.00 ATOM 279 CD GLU A 38 -7.983 -9.741 5.546 1.00 0.00 ATOM 280 OE1 GLU A 38 -8.898 -9.124 6.136 1.00 0.00 ATOM 281 OE2 GLU A 38 -8.106 -10.924 5.160 1.00 0.00 ATOM 282 O GLU A 38 -7.068 -11.692 3.011 1.00 0.00 ATOM 283 C GLU A 38 -5.976 -11.195 2.777 1.00 0.00 ATOM 284 N GLY A 39 -4.955 -11.878 2.292 1.00 0.00 ATOM 285 CA GLY A 39 -4.982 -13.318 2.161 1.00 0.00 ATOM 286 O GLY A 39 -3.157 -13.222 3.728 1.00 0.00 ATOM 287 C GLY A 39 -3.894 -13.923 3.036 1.00 0.00 ATOM 288 N SER A 40 -3.772 -15.246 2.970 1.00 0.00 ATOM 289 CA SER A 40 -2.783 -15.960 3.772 1.00 0.00 ATOM 290 CB SER A 40 -3.040 -17.480 3.728 1.00 0.00 ATOM 291 OG SER A 40 -3.202 -17.960 2.408 1.00 0.00 ATOM 292 O SER A 40 -0.396 -15.700 4.110 1.00 0.00 ATOM 293 C SER A 40 -1.353 -15.647 3.317 1.00 0.00 ATOM 294 N LEU A 41 -1.155 -15.337 2.020 1.00 0.00 ATOM 295 CA LEU A 41 0.157 -15.064 1.480 1.00 0.00 ATOM 296 CB LEU A 41 0.226 -15.495 0.014 1.00 0.00 ATOM 297 CG LEU A 41 -0.236 -16.901 -0.367 1.00 0.00 ATOM 298 CD1 LEU A 41 0.149 -17.290 -1.783 1.00 0.00 ATOM 299 CD2 LEU A 41 0.269 -17.901 0.607 1.00 0.00 ATOM 300 O LEU A 41 1.585 -13.218 1.017 1.00 0.00 ATOM 301 C LEU A 41 0.557 -13.604 1.569 1.00 0.00 ATOM 302 N GLY A 42 -0.272 -12.790 2.216 1.00 0.00 ATOM 303 CA GLY A 42 0.012 -11.370 2.332 1.00 0.00 ATOM 304 O GLY A 42 0.137 -9.318 1.139 1.00 0.00 ATOM 305 C GLY A 42 -0.384 -10.431 1.207 1.00 0.00 ATOM 306 N VAL A 43 -1.253 -10.858 0.296 1.00 0.00 ATOM 307 CA VAL A 43 -1.707 -10.038 -0.808 1.00 0.00 ATOM 308 CB VAL A 43 -1.505 -10.807 -2.149 1.00 0.00 ATOM 309 CG1 VAL A 43 -2.078 -10.002 -3.329 1.00 0.00 ATOM 310 CG2 VAL A 43 -0.016 -11.104 -2.347 1.00 0.00 ATOM 311 O VAL A 43 -4.081 -10.451 -0.858 1.00 0.00 ATOM 312 C VAL A 43 -3.178 -9.664 -0.578 1.00 0.00 ATOM 313 N ILE A 44 -2.393 -8.286 -0.572 1.00 0.00 ATOM 314 CA ILE A 44 -2.492 -7.567 -1.840 1.00 0.00 ATOM 315 CB ILE A 44 -3.883 -6.983 -2.119 1.00 0.00 ATOM 316 CG1 ILE A 44 -4.454 -6.076 -1.030 1.00 0.00 ATOM 317 CG2 ILE A 44 -4.862 -8.094 -2.505 1.00 0.00 ATOM 318 CD1 ILE A 44 -5.685 -5.311 -1.435 1.00 0.00 ATOM 319 O ILE A 44 -1.309 -5.822 -0.729 1.00 0.00 ATOM 320 C ILE A 44 -1.613 -6.320 -1.813 1.00 0.00 ATOM 321 N PRO A 45 -1.337 -5.751 -2.920 1.00 0.00 ATOM 322 CA PRO A 45 -0.694 -4.434 -2.996 1.00 0.00 ATOM 323 CB PRO A 45 -0.023 -4.452 -4.358 1.00 0.00 ATOM 324 CG PRO A 45 -0.576 -5.529 -5.078 1.00 0.00 ATOM 325 CD PRO A 45 -1.474 -6.365 -4.237 1.00 0.00 ATOM 326 O PRO A 45 -2.689 -3.302 -3.872 1.00 0.00 ATOM 327 C PRO A 45 -1.643 -3.228 -3.220 1.00 0.00 ATOM 328 N ARG A 46 -1.197 -2.102 -2.730 1.00 0.00 ATOM 329 CA ARG A 46 -1.943 -0.857 -2.895 1.00 0.00 ATOM 330 CB ARG A 46 -2.862 -0.346 -2.082 1.00 0.00 ATOM 331 CG ARG A 46 -3.031 1.129 -2.260 1.00 0.00 ATOM 332 CD ARG A 46 -4.332 1.689 -1.734 1.00 0.00 ATOM 333 NE ARG A 46 -4.545 1.365 -0.297 1.00 0.00 ATOM 334 CZ ARG A 46 -5.733 1.599 0.322 1.00 0.00 ATOM 335 NH1 ARG A 46 -5.953 1.262 1.594 1.00 0.00 ATOM 336 NH2 ARG A 46 -6.686 2.250 -0.347 1.00 0.00 ATOM 337 O ARG A 46 0.004 0.467 -2.941 1.00 0.00 ATOM 338 C ARG A 46 -1.056 0.215 -3.519 1.00 0.00 ATOM 339 N ARG A 47 -1.532 0.828 -4.598 1.00 0.00 ATOM 340 CA ARG A 47 -0.800 1.895 -5.270 1.00 0.00 ATOM 341 CB ARG A 47 -0.183 1.279 -6.596 1.00 0.00 ATOM 342 CG ARG A 47 -1.266 1.044 -7.679 1.00 0.00 ATOM 343 CD ARG A 47 -0.590 0.713 -9.028 1.00 0.00 ATOM 344 NE ARG A 47 0.015 1.925 -9.612 1.00 0.00 ATOM 345 CZ ARG A 47 0.790 1.921 -10.703 1.00 0.00 ATOM 346 NH1 ARG A 47 1.107 0.769 -11.315 1.00 0.00 ATOM 347 NH2 ARG A 47 1.172 3.075 -11.237 1.00 0.00 ATOM 348 O ARG A 47 -2.680 3.387 -5.431 1.00 0.00 ATOM 349 C ARG A 47 -1.516 3.227 -5.062 1.00 0.00 ATOM 350 N VAL A 48 -0.817 4.184 -4.468 1.00 0.00 ATOM 351 CA VAL A 48 -1.400 5.483 -4.183 1.00 0.00 ATOM 352 CB VAL A 48 -1.945 5.564 -2.704 1.00 0.00 ATOM 353 CG1 VAL A 48 -3.000 4.493 -2.459 1.00 0.00 ATOM 354 CG2 VAL A 48 -0.778 5.408 -1.731 1.00 0.00 ATOM 355 O VAL A 48 0.796 6.486 -4.332 1.00 0.00 ATOM 356 C VAL A 48 -0.421 6.646 -4.349 1.00 0.00 ATOM 357 N LEU A 49 -1.005 7.806 -4.632 1.00 0.00 ATOM 358 CA LEU A 49 -0.286 9.046 -4.865 1.00 0.00 ATOM 359 CB LEU A 49 -0.879 9.816 -6.046 1.00 0.00 ATOM 360 CG LEU A 49 -0.833 9.112 -7.404 1.00 0.00 ATOM 361 CD1 LEU A 49 -1.528 9.950 -8.467 1.00 0.00 ATOM 362 CD2 LEU A 49 0.605 8.885 -7.843 1.00 0.00 ATOM 363 O LEU A 49 -1.426 10.068 -3.011 1.00 0.00 ATOM 364 C LEU A 49 -0.368 9.934 -3.627 1.00 0.00 ATOM 365 N VAL A 50 0.834 10.494 -3.293 1.00 0.00 ATOM 366 CA VAL A 50 0.908 11.310 -2.095 1.00 0.00 ATOM 367 CB VAL A 50 1.780 10.647 -1.013 1.00 0.00 ATOM 368 CG1 VAL A 50 1.981 11.592 0.161 1.00 0.00 ATOM 369 CG2 VAL A 50 1.122 9.376 -0.502 1.00 0.00 ATOM 370 O VAL A 50 2.486 12.801 -3.131 1.00 0.00 ATOM 371 C VAL A 50 1.501 12.688 -2.391 1.00 0.00 ATOM 372 N HIS A 51 0.894 13.721 -1.810 1.00 0.00 ATOM 373 CA HIS A 51 1.333 15.095 -2.001 1.00 0.00 ATOM 374 CB HIS A 51 0.377 16.065 -1.303 1.00 0.00 ATOM 375 CG HIS A 51 0.632 17.503 -1.631 1.00 0.00 ATOM 376 CD2 HIS A 51 0.047 18.480 -2.537 1.00 0.00 ATOM 377 ND1 HIS A 51 1.622 18.242 -1.023 1.00 0.00 ATOM 378 CE1 HIS A 51 1.607 19.490 -1.521 1.00 0.00 ATOM 379 NE2 HIS A 51 0.663 19.640 -2.431 1.00 0.00 ATOM 380 O HIS A 51 3.146 14.605 -0.510 1.00 0.00 ATOM 381 C HIS A 51 2.737 15.301 -1.440 1.00 0.00 ATOM 382 N GLU A 52 3.462 16.231 -2.052 1.00 0.00 ATOM 383 CA GLU A 52 4.865 16.426 -1.726 1.00 0.00 ATOM 384 CB GLU A 52 5.445 17.596 -2.521 1.00 0.00 ATOM 385 CG GLU A 52 6.916 17.866 -2.246 1.00 0.00 ATOM 386 CD GLU A 52 7.465 19.006 -3.081 1.00 0.00 ATOM 387 OE1 GLU A 52 6.705 19.563 -3.900 1.00 0.00 ATOM 388 OE2 GLU A 52 8.657 19.342 -2.917 1.00 0.00 ATOM 389 O GLU A 52 5.852 16.141 0.444 1.00 0.00 ATOM 390 C GLU A 52 5.010 16.725 -0.236 1.00 0.00 ATOM 391 N ASP A 53 4.165 17.634 0.252 1.00 0.00 ATOM 392 CA ASP A 53 4.268 18.028 1.655 1.00 0.00 ATOM 393 CB ASP A 53 3.314 19.187 1.956 1.00 0.00 ATOM 394 CG ASP A 53 3.773 20.493 1.338 1.00 0.00 ATOM 395 OD1 ASP A 53 4.939 20.564 0.896 1.00 0.00 ATOM 396 OD2 ASP A 53 2.967 21.446 1.297 1.00 0.00 ATOM 397 O ASP A 53 4.301 16.945 3.788 1.00 0.00 ATOM 398 C ASP A 53 3.938 16.886 2.617 1.00 0.00 ATOM 399 N ASP A 54 3.326 15.816 2.125 1.00 0.00 ATOM 400 CA ASP A 54 2.973 14.677 2.978 1.00 0.00 ATOM 401 CB ASP A 54 1.550 14.238 2.625 1.00 0.00 ATOM 402 CG ASP A 54 0.535 15.349 2.809 1.00 0.00 ATOM 403 OD1 ASP A 54 0.539 15.983 3.884 1.00 0.00 ATOM 404 OD2 ASP A 54 -0.263 15.583 1.878 1.00 0.00 ATOM 405 O ASP A 54 3.561 12.423 3.518 1.00 0.00 ATOM 406 C ASP A 54 3.844 13.436 2.872 1.00 0.00 ATOM 407 N LEU A 55 4.816 13.416 1.962 1.00 0.00 ATOM 408 CA LEU A 55 5.513 12.138 1.768 1.00 0.00 ATOM 409 CB LEU A 55 6.516 12.242 0.616 1.00 0.00 ATOM 410 CG LEU A 55 5.924 12.383 -0.788 1.00 0.00 ATOM 411 CD1 LEU A 55 7.021 12.642 -1.810 1.00 0.00 ATOM 412 CD2 LEU A 55 5.188 11.115 -1.191 1.00 0.00 ATOM 413 O LEU A 55 6.285 10.486 3.303 1.00 0.00 ATOM 414 C LEU A 55 6.261 11.693 3.007 1.00 0.00 ATOM 415 N ALA A 56 6.935 12.606 3.712 1.00 0.00 ATOM 416 CA ALA A 56 7.668 12.220 4.920 1.00 0.00 ATOM 417 CB ALA A 56 8.358 13.403 5.581 1.00 0.00 ATOM 418 O ALA A 56 7.107 10.584 6.544 1.00 0.00 ATOM 419 C ALA A 56 6.731 11.599 5.958 1.00 0.00 ATOM 420 N GLY A 57 5.559 12.231 6.140 1.00 0.00 ATOM 421 CA GLY A 57 4.627 11.738 7.146 1.00 0.00 ATOM 422 O GLY A 57 4.094 9.450 7.655 1.00 0.00 ATOM 423 C GLY A 57 4.133 10.361 6.795 1.00 0.00 ATOM 424 N ALA A 58 3.786 10.125 5.545 1.00 0.00 ATOM 425 CA ALA A 58 3.305 8.818 5.116 1.00 0.00 ATOM 426 CB ALA A 58 2.910 8.833 3.647 1.00 0.00 ATOM 427 O ALA A 58 4.155 6.645 5.767 1.00 0.00 ATOM 428 C ALA A 58 4.373 7.753 5.283 1.00 0.00 ATOM 429 N ARG A 59 5.595 8.099 4.869 1.00 0.00 ATOM 430 CA ARG A 59 6.632 7.072 4.852 1.00 0.00 ATOM 431 CB ARG A 59 7.860 7.560 4.024 1.00 0.00 ATOM 432 CG ARG A 59 7.615 7.687 2.538 1.00 0.00 ATOM 433 CD ARG A 59 8.725 8.409 1.831 1.00 0.00 ATOM 434 NE ARG A 59 8.640 8.233 0.383 1.00 0.00 ATOM 435 CZ ARG A 59 9.458 8.827 -0.471 1.00 0.00 ATOM 436 NH1 ARG A 59 10.393 9.654 -0.036 1.00 0.00 ATOM 437 NH2 ARG A 59 9.350 8.615 -1.764 1.00 0.00 ATOM 438 O ARG A 59 7.202 5.502 6.557 1.00 0.00 ATOM 439 C ARG A 59 6.999 6.682 6.278 1.00 0.00 ATOM 440 N ARG A 60 7.030 7.660 7.174 1.00 0.00 ATOM 441 CA ARG A 60 7.322 7.434 8.585 1.00 0.00 ATOM 442 CB ARG A 60 7.447 8.768 9.323 1.00 0.00 ATOM 443 CG ARG A 60 8.686 9.569 8.953 1.00 0.00 ATOM 444 CD ARG A 60 8.705 10.914 9.657 1.00 0.00 ATOM 445 NE ARG A 60 9.885 11.701 9.305 1.00 0.00 ATOM 446 CZ ARG A 60 10.082 12.961 9.679 1.00 0.00 ATOM 447 NH1 ARG A 60 11.186 13.598 9.311 1.00 0.00 ATOM 448 NH2 ARG A 60 9.174 13.583 10.419 1.00 0.00 ATOM 449 O ARG A 60 6.552 5.696 10.059 1.00 0.00 ATOM 450 C ARG A 60 6.249 6.545 9.218 1.00 0.00 ATOM 451 N LEU A 61 5.001 6.771 8.845 1.00 0.00 ATOM 452 CA LEU A 61 3.919 5.948 9.375 1.00 0.00 ATOM 453 CB LEU A 61 2.548 6.441 8.964 1.00 0.00 ATOM 454 CG LEU A 61 2.153 7.824 9.510 1.00 0.00 ATOM 455 CD1 LEU A 61 0.781 8.202 8.945 1.00 0.00 ATOM 456 CD2 LEU A 61 2.103 7.878 11.061 1.00 0.00 ATOM 457 O LEU A 61 3.992 3.559 9.634 1.00 0.00 ATOM 458 C LEU A 61 4.138 4.522 8.880 1.00 0.00 ATOM 459 N LEU A 62 4.549 4.423 7.646 1.00 0.00 ATOM 460 CA LEU A 62 4.804 3.111 7.070 1.00 0.00 ATOM 461 CB LEU A 62 5.157 3.189 5.623 1.00 0.00 ATOM 462 CG LEU A 62 3.944 3.425 4.736 1.00 0.00 ATOM 463 CD1 LEU A 62 4.335 3.909 3.325 1.00 0.00 ATOM 464 CD2 LEU A 62 3.142 2.160 4.623 1.00 0.00 ATOM 465 O LEU A 62 5.860 1.272 8.245 1.00 0.00 ATOM 466 C LEU A 62 5.950 2.434 7.817 1.00 0.00 ATOM 467 N THR A 63 7.013 3.155 7.989 1.00 0.00 ATOM 468 CA THR A 63 8.176 2.638 8.694 1.00 0.00 ATOM 469 CB THR A 63 9.337 3.662 8.696 1.00 0.00 ATOM 470 CG2 THR A 63 10.540 3.099 9.436 1.00 0.00 ATOM 471 OG1 THR A 63 9.720 3.958 7.349 1.00 0.00 ATOM 472 O THR A 63 8.287 1.242 10.647 1.00 0.00 ATOM 473 C THR A 63 7.896 2.311 10.152 1.00 0.00 ATOM 474 N ASP A 64 7.184 3.193 10.858 1.00 0.00 ATOM 475 CA ASP A 64 6.851 2.968 12.266 1.00 0.00 ATOM 476 CB ASP A 64 6.113 4.149 12.898 1.00 0.00 ATOM 477 CG ASP A 64 7.002 5.365 13.074 1.00 0.00 ATOM 478 OD1 ASP A 64 8.234 5.226 12.932 1.00 0.00 ATOM 479 OD2 ASP A 64 6.465 6.458 13.356 1.00 0.00 ATOM 480 O ASP A 64 6.123 0.941 13.411 1.00 0.00 ATOM 481 C ASP A 64 6.002 1.720 12.465 1.00 0.00 ATOM 482 N ALA A 65 5.067 1.537 11.537 1.00 0.00 ATOM 483 CA ALA A 65 4.195 0.370 11.696 1.00 0.00 ATOM 484 CB ALA A 65 2.837 0.634 11.063 1.00 0.00 ATOM 485 O ALA A 65 4.506 -1.957 11.204 1.00 0.00 ATOM 486 C ALA A 65 4.935 -0.822 11.143 1.00 0.00 ATOM 487 N GLY A 66 6.115 -0.599 10.532 1.00 0.00 ATOM 488 CA GLY A 66 6.873 -1.719 9.984 1.00 0.00 ATOM 489 O GLY A 66 6.253 -3.602 8.648 1.00 0.00 ATOM 490 C GLY A 66 6.182 -2.381 8.810 1.00 0.00 ATOM 491 N LEU A 67 5.493 -1.588 8.006 1.00 0.00 ATOM 492 CA LEU A 67 4.776 -2.139 6.858 1.00 0.00 ATOM 493 CB LEU A 67 3.660 -1.205 6.385 1.00 0.00 ATOM 494 CG LEU A 67 2.519 -0.958 7.373 1.00 0.00 ATOM 495 CD1 LEU A 67 1.534 0.057 6.814 1.00 0.00 ATOM 496 CD2 LEU A 67 1.763 -2.247 7.657 1.00 0.00 ATOM 497 O LEU A 67 6.568 -1.472 5.425 1.00 0.00 ATOM 498 C LEU A 67 5.737 -2.346 5.697 1.00 0.00 ATOM 499 N ALA A 68 5.608 -3.461 4.978 1.00 0.00 ATOM 500 CA ALA A 68 6.395 -3.608 3.755 1.00 0.00 ATOM 501 CB ALA A 68 6.337 -5.043 3.256 1.00 0.00 ATOM 502 O ALA A 68 4.684 -2.729 2.316 1.00 0.00 ATOM 503 C ALA A 68 5.862 -2.685 2.661 1.00 0.00 ATOM 504 N HIS A 69 6.760 -1.903 2.065 1.00 0.00 ATOM 505 CA HIS A 69 6.385 -1.032 0.957 1.00 0.00 ATOM 506 CB HIS A 69 6.255 0.253 1.139 1.00 0.00 ATOM 507 CG HIS A 69 6.939 1.010 2.243 1.00 0.00 ATOM 508 CD2 HIS A 69 7.929 1.935 2.170 1.00 0.00 ATOM 509 ND1 HIS A 69 6.666 0.819 3.578 1.00 0.00 ATOM 510 CE1 HIS A 69 7.465 1.615 4.274 1.00 0.00 ATOM 511 NE2 HIS A 69 8.258 2.277 3.451 1.00 0.00 ATOM 512 O HIS A 69 8.717 -0.984 0.356 1.00 0.00 ATOM 513 C HIS A 69 7.558 -0.793 0.011 1.00 0.00 ATOM 514 N GLU A 70 7.461 -0.316 -1.305 1.00 0.00 ATOM 515 CA GLU A 70 8.431 0.243 -2.251 1.00 0.00 ATOM 516 CB GLU A 70 7.740 0.126 -3.688 1.00 0.00 ATOM 517 CG GLU A 70 7.516 -1.303 -4.143 1.00 0.00 ATOM 518 CD GLU A 70 8.812 -2.078 -4.226 1.00 0.00 ATOM 519 OE1 GLU A 70 8.895 -3.182 -3.645 1.00 0.00 ATOM 520 OE2 GLU A 70 9.747 -1.584 -4.883 1.00 0.00 ATOM 521 O GLU A 70 10.114 1.974 -2.192 1.00 0.00 ATOM 522 C GLU A 70 9.084 1.514 -1.691 1.00 0.00 ATOM 523 N LEU A 71 8.481 2.050 -0.636 1.00 0.00 ATOM 524 CA LEU A 71 8.995 3.248 0.022 1.00 0.00 ATOM 525 CB LEU A 71 7.898 3.931 0.863 1.00 0.00 ATOM 526 CG LEU A 71 6.745 4.571 0.079 1.00 0.00 ATOM 527 CD1 LEU A 71 5.676 5.028 1.035 1.00 0.00 ATOM 528 CD2 LEU A 71 7.247 5.721 -0.791 1.00 0.00 ATOM 529 O LEU A 71 10.312 1.832 1.440 1.00 0.00 ATOM 530 C LEU A 71 10.196 2.910 0.855 1.00 0.00 ATOM 531 N ARG A 72 11.352 3.938 0.898 1.00 0.00 ATOM 532 CA ARG A 72 12.473 3.691 1.773 1.00 0.00 ATOM 533 CB ARG A 72 13.880 4.169 1.408 1.00 0.00 ATOM 534 CG ARG A 72 14.599 3.289 0.400 1.00 0.00 ATOM 535 CD ARG A 72 15.961 3.860 0.039 1.00 0.00 ATOM 536 NE ARG A 72 16.874 3.865 1.182 1.00 0.00 ATOM 537 CZ ARG A 72 18.201 3.860 1.085 1.00 0.00 ATOM 538 NH1 ARG A 72 18.787 3.691 -0.092 1.00 0.00 ATOM 539 NH2 ARG A 72 18.947 4.010 2.171 1.00 0.00 ATOM 540 O ARG A 72 11.531 5.332 3.240 1.00 0.00 ATOM 541 C ARG A 72 12.040 4.217 3.130 1.00 0.00 ATOM 542 N SER A 73 12.229 3.403 4.180 1.00 0.00 ATOM 543 CA SER A 73 11.832 3.768 5.530 1.00 0.00 ATOM 544 CB SER A 73 12.235 2.679 6.538 1.00 0.00 ATOM 545 OG SER A 73 13.623 2.408 6.500 1.00 0.00 ATOM 546 O SER A 73 11.735 5.928 6.574 1.00 0.00 ATOM 547 C SER A 73 12.421 5.108 5.925 1.00 0.00 ATOM 548 N ASP A 74 13.672 5.278 5.591 1.00 0.00 ATOM 549 CA ASP A 74 14.289 6.532 5.989 1.00 0.00 ATOM 550 CB ASP A 74 15.822 6.582 5.930 1.00 0.00 ATOM 551 CG ASP A 74 16.472 5.606 6.885 1.00 0.00 ATOM 552 OD1 ASP A 74 16.055 5.565 8.052 1.00 0.00 ATOM 553 OD2 ASP A 74 17.397 4.879 6.471 1.00 0.00 ATOM 554 O ASP A 74 13.619 8.824 5.754 1.00 0.00 ATOM 555 C ASP A 74 13.713 7.722 5.217 1.00 0.00 ATOM 556 N ASP A 75 13.328 7.468 3.976 1.00 0.00 ATOM 557 CA ASP A 75 12.762 8.555 3.177 1.00 0.00 ATOM 558 CB ASP A 75 12.635 8.131 1.714 1.00 0.00 ATOM 559 CG ASP A 75 13.926 8.289 0.955 1.00 0.00 ATOM 560 OD1 ASP A 75 14.834 8.964 1.477 1.00 0.00 ATOM 561 OD2 ASP A 75 14.039 7.740 -0.158 1.00 0.00 ATOM 562 O ASP A 75 10.836 9.968 3.189 1.00 0.00 ATOM 563 C ASP A 75 11.396 8.992 3.679 1.00 0.00 ENDMDL EXPDTA 2hfvA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hfvA ATOM 1 N MET A 1 -33.955 30.238 -8.949 1.00 0.00 ATOM 2 CA MET A 1 -33.213 28.969 -8.792 1.00 0.00 ATOM 3 CB MET A 1 -33.589 27.984 -9.903 1.00 0.00 ATOM 4 CG MET A 1 -35.037 27.530 -9.857 1.00 0.00 ATOM 5 SD MET A 1 -35.486 26.501 -11.269 1.00 0.00 ATOM 6 CE MET A 1 -34.358 25.122 -11.070 1.00 0.00 ATOM 7 O MET A 1 -31.135 29.502 -9.870 1.00 0.00 ATOM 8 C MET A 1 -31.711 29.222 -8.815 1.00 0.00 ATOM 9 N ARG A 2 4.043 9.078 -5.609 1.00 0.00 ATOM 10 CA ARG A 2 5.142 8.137 -5.418 1.00 0.00 ATOM 11 CB ARG A 2 6.354 8.801 -4.754 1.00 0.00 ATOM 12 CG ARG A 2 6.969 9.925 -5.569 1.00 0.00 ATOM 13 CD ARG A 2 8.263 10.423 -4.947 1.00 0.00 ATOM 14 NE ARG A 2 8.765 11.614 -5.625 1.00 0.00 ATOM 15 CZ ARG A 2 10.022 11.776 -6.032 1.00 0.00 ATOM 16 NH1 ARG A 2 10.914 10.806 -5.857 1.00 0.00 ATOM 17 NH2 ARG A 2 10.377 12.906 -6.632 1.00 0.00 ATOM 18 O ARG A 2 3.813 7.130 -3.700 1.00 0.00 ATOM 19 C ARG A 2 4.674 6.967 -4.566 1.00 0.00 ATOM 20 N GLU A 3 5.239 5.799 -4.823 1.00 0.00 ATOM 21 CA GLU A 3 4.853 4.573 -4.135 1.00 0.00 ATOM 22 CB GLU A 3 5.207 3.381 -5.024 1.00 0.00 ATOM 23 CG GLU A 3 4.492 2.093 -4.665 1.00 0.00 ATOM 24 CD GLU A 3 4.676 1.033 -5.731 1.00 0.00 ATOM 25 OE1 GLU A 3 5.689 0.308 -5.688 1.00 0.00 ATOM 26 OE2 GLU A 3 3.815 0.929 -6.633 1.00 0.00 ATOM 27 O GLU A 3 6.736 4.782 -2.650 1.00 0.00 ATOM 28 C GLU A 3 5.550 4.473 -2.775 1.00 0.00 ATOM 29 N LEU A 4 4.803 4.072 -1.750 1.00 0.00 ATOM 30 CA LEU A 4 5.354 3.958 -0.406 1.00 0.00 ATOM 31 CB LEU A 4 4.463 4.666 0.620 1.00 0.00 ATOM 32 CG LEU A 4 4.661 6.180 0.747 1.00 0.00 ATOM 33 CD1 LEU A 4 4.288 6.891 -0.541 1.00 0.00 ATOM 34 CD2 LEU A 4 3.846 6.719 1.911 1.00 0.00 ATOM 35 O LEU A 4 6.672 2.049 0.184 1.00 0.00 ATOM 36 C LEU A 4 5.548 2.501 -0.003 1.00 0.00 ATOM 37 N LEU A 5 4.456 1.764 0.135 1.00 0.00 ATOM 38 CA LEU A 5 4.533 0.371 0.560 1.00 0.00 ATOM 39 CB LEU A 5 4.456 0.245 2.093 1.00 0.00 ATOM 40 CG LEU A 5 3.135 0.666 2.746 1.00 0.00 ATOM 41 CD1 LEU A 5 2.998 0.013 4.113 1.00 0.00 ATOM 42 CD2 LEU A 5 3.057 2.179 2.889 1.00 0.00 ATOM 43 O LEU A 5 2.589 0.073 -0.812 1.00 0.00 ATOM 44 C LEU A 5 3.430 -0.457 -0.087 1.00 0.00 ATOM 45 N ARG A 6 3.435 -1.756 0.182 1.00 0.00 ATOM 46 CA ARG A 6 2.453 -2.667 -0.393 1.00 0.00 ATOM 47 CB ARG A 6 2.971 -3.231 -1.719 1.00 0.00 ATOM 48 CG ARG A 6 4.066 -4.276 -1.555 1.00 0.00 ATOM 49 CD ARG A 6 5.025 -4.265 -2.730 1.00 0.00 ATOM 50 NE ARG A 6 5.834 -3.048 -2.739 1.00 0.00 ATOM 51 CZ ARG A 6 5.807 -2.140 -3.712 1.00 0.00 ATOM 52 NH1 ARG A 6 5.016 -2.304 -4.771 1.00 0.00 ATOM 53 NH2 ARG A 6 6.566 -1.058 -3.625 1.00 0.00 ATOM 54 O ARG A 6 3.005 -4.142 1.408 1.00 0.00 ATOM 55 C ARG A 6 2.164 -3.807 0.573 1.00 0.00 ATOM 56 N THR A 7 0.978 -4.389 0.458 1.00 0.00 ATOM 57 CA THR A 7 0.595 -5.531 1.272 1.00 0.00 ATOM 58 CB THR A 7 0.710 -5.229 2.788 1.00 0.00 ATOM 59 CG2 THR A 7 -0.265 -4.139 3.212 1.00 0.00 ATOM 60 OG1 THR A 7 0.446 -6.416 3.550 1.00 0.00 ATOM 61 O THR A 7 -1.587 -5.200 0.322 1.00 0.00 ATOM 62 C THR A 7 -0.836 -5.953 0.945 1.00 0.00 ATOM 63 N ASN A 8 -1.203 -7.158 1.349 1.00 0.00 ATOM 64 CA ASN A 8 -2.570 -7.631 1.177 1.00 0.00 ATOM 65 CB ASN A 8 -2.608 -8.950 0.399 1.00 0.00 ATOM 66 CG ASN A 8 -2.072 -10.126 1.194 1.00 0.00 ATOM 67 ND2 ASN A 8 -2.944 -10.786 1.941 1.00 0.00 ATOM 68 OD1 ASN A 8 -0.884 -10.438 1.141 1.00 0.00 ATOM 69 O ASN A 8 -4.392 -8.201 2.629 1.00 0.00 ATOM 70 C ASN A 8 -3.227 -7.814 2.535 1.00 0.00 ATOM 71 N ASP A 9 -2.469 -7.526 3.586 1.00 0.00 ATOM 72 CA ASP A 9 -2.955 -7.701 4.948 1.00 0.00 ATOM 73 CB ASP A 9 -1.797 -7.683 5.949 1.00 0.00 ATOM 74 CG ASP A 9 -2.245 -8.034 7.352 1.00 0.00 ATOM 75 OD1 ASP A 9 -2.761 -7.147 8.060 1.00 0.00 ATOM 76 OD2 ASP A 9 -2.090 -9.210 7.753 1.00 0.00 ATOM 77 O ASP A 9 -3.626 -5.428 5.343 1.00 0.00 ATOM 78 C ASP A 9 -3.961 -6.614 5.301 1.00 0.00 ATOM 79 N ALA A 10 -5.191 -7.035 5.557 1.00 0.00 ATOM 80 CA ALA A 10 -6.286 -6.115 5.837 1.00 0.00 ATOM 81 CB ALA A 10 -7.589 -6.883 5.981 1.00 0.00 ATOM 82 O ALA A 10 -6.428 -4.114 7.153 1.00 0.00 ATOM 83 C ALA A 10 -6.032 -5.279 7.086 1.00 0.00 ATOM 84 N VAL A 11 -5.359 -5.864 8.070 1.00 0.00 ATOM 85 CA VAL A 11 -5.096 -5.171 9.324 1.00 0.00 ATOM 86 CB VAL A 11 -4.633 -6.144 10.433 1.00 0.00 ATOM 87 CG1 VAL A 11 -4.357 -5.396 11.734 1.00 0.00 ATOM 88 CG2 VAL A 11 -5.673 -7.230 10.652 1.00 0.00 ATOM 89 O VAL A 11 -4.225 -2.945 9.540 1.00 0.00 ATOM 90 C VAL A 11 -4.045 -4.090 9.118 1.00 0.00 ATOM 91 N LEU A 12 -2.956 -4.452 8.447 1.00 0.00 ATOM 92 CA LEU A 12 -1.889 -3.506 8.145 1.00 0.00 ATOM 93 CB LEU A 12 -0.728 -4.222 7.446 1.00 0.00 ATOM 94 CG LEU A 12 0.519 -3.368 7.207 1.00 0.00 ATOM 95 CD1 LEU A 12 1.082 -2.864 8.526 1.00 0.00 ATOM 96 CD2 LEU A 12 1.571 -4.163 6.452 1.00 0.00 ATOM 97 O LEU A 12 -2.086 -1.202 7.486 1.00 0.00 ATOM 98 C LEU A 12 -2.416 -2.369 7.273 1.00 0.00 ATOM 99 N LEU A 13 -3.258 -2.719 6.308 1.00 0.00 ATOM 100 CA LEU A 13 -3.867 -1.732 5.418 1.00 0.00 ATOM 101 CB LEU A 13 -4.627 -2.432 4.287 1.00 0.00 ATOM 102 CG LEU A 13 -3.740 -3.076 3.218 1.00 0.00 ATOM 103 CD1 LEU A 13 -4.560 -3.982 2.314 1.00 0.00 ATOM 104 CD2 LEU A 13 -3.038 -2.004 2.395 1.00 0.00 ATOM 105 O LEU A 13 -4.979 0.360 5.795 1.00 0.00 ATOM 106 C LEU A 13 -4.798 -0.796 6.181 1.00 0.00 ATOM 107 N SER A 14 -5.387 -1.291 7.260 1.00 0.00 ATOM 108 CA SER A 14 -6.251 -0.466 8.093 1.00 0.00 ATOM 109 CB SER A 14 -7.142 -1.344 8.972 1.00 0.00 ATOM 110 OG SER A 14 -7.941 -2.213 8.182 1.00 0.00 ATOM 111 O SER A 14 -5.778 1.640 9.151 1.00 0.00 ATOM 112 C SER A 14 -5.417 0.479 8.960 1.00 0.00 ATOM 113 N ALA A 15 -4.293 -0.026 9.467 1.00 0.00 ATOM 114 CA ALA A 15 -3.405 0.768 10.308 1.00 0.00 ATOM 115 CB ALA A 15 -2.301 -0.107 10.885 1.00 0.00 ATOM 116 O ALA A 15 -2.917 3.089 9.930 1.00 0.00 ATOM 117 C ALA A 15 -2.808 1.931 9.524 1.00 0.00 ATOM 118 N VAL A 16 -2.189 1.615 8.391 1.00 0.00 ATOM 119 CA VAL A 16 -1.587 2.633 7.536 1.00 0.00 ATOM 120 CB VAL A 16 -0.875 1.995 6.321 1.00 0.00 ATOM 121 CG1 VAL A 16 -0.261 3.057 5.427 1.00 0.00 ATOM 122 CG2 VAL A 16 0.188 1.011 6.782 1.00 0.00 ATOM 123 O VAL A 16 -2.390 4.834 6.973 1.00 0.00 ATOM 124 C VAL A 16 -2.641 3.628 7.048 1.00 0.00 ATOM 125 N GLY A 17 -3.827 3.114 6.744 1.00 0.00 ATOM 126 CA GLY A 17 -4.910 3.956 6.279 1.00 0.00 ATOM 127 O GLY A 17 -5.433 6.162 7.025 1.00 0.00 ATOM 128 C GLY A 17 -5.324 4.973 7.323 1.00 0.00 ATOM 129 N ALA A 18 -5.526 4.506 8.553 1.00 0.00 ATOM 130 CA ALA A 18 -5.951 5.367 9.651 1.00 0.00 ATOM 131 CB ALA A 18 -6.233 4.539 10.896 1.00 0.00 ATOM 132 O ALA A 18 -5.259 7.569 10.311 1.00 0.00 ATOM 133 C ALA A 18 -4.912 6.443 9.957 1.00 0.00 ATOM 134 N LEU A 19 -3.643 6.091 9.801 1.00 0.00 ATOM 135 CA LEU A 19 -2.544 7.020 10.056 1.00 0.00 ATOM 136 CB LEU A 19 -1.195 6.298 9.943 1.00 0.00 ATOM 137 CG LEU A 19 -0.935 5.225 10.999 1.00 0.00 ATOM 138 CD1 LEU A 19 0.362 4.487 10.704 1.00 0.00 ATOM 139 CD2 LEU A 19 -0.890 5.843 12.386 1.00 0.00 ATOM 140 O LEU A 19 -2.569 9.350 9.472 1.00 0.00 ATOM 141 C LEU A 19 -2.586 8.184 9.074 1.00 0.00 ATOM 142 N LEU A 20 -2.665 7.858 7.792 1.00 0.00 ATOM 143 CA LEU A 20 -2.663 8.868 6.743 1.00 0.00 ATOM 144 CB LEU A 20 -2.452 8.209 5.381 1.00 0.00 ATOM 145 CG LEU A 20 -1.159 7.402 5.243 1.00 0.00 ATOM 146 CD1 LEU A 20 -1.102 6.707 3.891 1.00 0.00 ATOM 147 CD2 LEU A 20 0.049 8.305 5.422 1.00 0.00 ATOM 148 O LEU A 20 -3.957 10.888 6.601 1.00 0.00 ATOM 149 C LEU A 20 -3.965 9.665 6.749 1.00 0.00 ATOM 150 N ASP A 21 -5.076 8.961 6.944 1.00 0.00 ATOM 151 CA ASP A 21 -6.399 9.587 6.984 1.00 0.00 ATOM 152 CB ASP A 21 -7.496 8.514 7.030 1.00 0.00 ATOM 153 CG ASP A 21 -8.886 9.092 7.217 1.00 0.00 ATOM 154 OD1 ASP A 21 -9.434 9.663 6.253 1.00 0.00 ATOM 155 OD2 ASP A 21 -9.447 8.957 8.327 1.00 0.00 ATOM 156 O ASP A 21 -7.087 11.602 8.092 1.00 0.00 ATOM 157 C ASP A 21 -6.525 10.510 8.189 1.00 0.00 ATOM 158 N GLY A 22 -5.971 10.075 9.318 1.00 0.00 ATOM 159 CA GLY A 22 -6.042 10.857 10.538 1.00 0.00 ATOM 160 O GLY A 22 -5.582 13.121 11.152 1.00 0.00 ATOM 161 C GLY A 22 -5.272 12.160 10.447 1.00 0.00 ATOM 162 N ALA A 23 -4.274 12.195 9.575 1.00 0.00 ATOM 163 CA ALA A 23 -3.451 13.383 9.404 1.00 0.00 ATOM 164 CB ALA A 23 -1.985 12.995 9.348 1.00 0.00 ATOM 165 O ALA A 23 -3.169 15.115 7.762 1.00 0.00 ATOM 166 C ALA A 23 -3.849 14.162 8.150 1.00 0.00 ATOM 167 N ASP A 24 -4.955 13.746 7.524 1.00 0.00 ATOM 168 CA ASP A 24 -5.491 14.418 6.332 1.00 0.00 ATOM 169 CB ASP A 24 -5.874 15.869 6.672 1.00 0.00 ATOM 170 CG ASP A 24 -6.706 16.535 5.588 1.00 0.00 ATOM 171 OD1 ASP A 24 -6.166 17.382 4.848 1.00 0.00 ATOM 172 OD2 ASP A 24 -7.911 16.214 5.472 1.00 0.00 ATOM 173 O ASP A 24 -4.440 15.260 4.324 1.00 0.00 ATOM 174 C ASP A 24 -4.480 14.375 5.178 1.00 0.00 ATOM 175 N ILE A 25 -3.674 13.325 5.143 1.00 0.00 ATOM 176 CA ILE A 25 -2.666 13.177 4.101 1.00 0.00 ATOM 177 CB ILE A 25 -1.469 12.329 4.586 1.00 0.00 ATOM 178 CG1 ILE A 25 -0.814 12.984 5.808 1.00 0.00 ATOM 179 CG2 ILE A 25 -0.453 12.146 3.465 1.00 0.00 ATOM 180 CD1 ILE A 25 0.328 12.183 6.398 1.00 0.00 ATOM 181 O ILE A 25 -3.810 11.423 2.932 1.00 0.00 ATOM 182 C ILE A 25 -3.275 12.534 2.863 1.00 0.00 ATOM 183 N GLY A 26 -3.201 13.240 1.740 1.00 0.00 ATOM 184 CA GLY A 26 -3.743 12.734 0.496 1.00 0.00 ATOM 185 O GLY A 26 -1.890 11.509 -0.376 1.00 0.00 ATOM 186 C GLY A 26 -3.041 11.469 0.060 1.00 0.00 ATOM 187 N HIS A 27 -3.734 10.349 0.172 1.00 0.00 ATOM 188 CA HIS A 27 -3.123 9.055 -0.075 1.00 0.00 ATOM 189 CB HIS A 27 -2.982 8.272 1.240 1.00 0.00 ATOM 190 CG HIS A 27 -4.283 7.980 1.933 1.00 0.00 ATOM 191 CD2 HIS A 27 -5.069 6.876 1.912 1.00 0.00 ATOM 192 ND1 HIS A 27 -4.906 8.874 2.780 1.00 0.00 ATOM 193 CE1 HIS A 27 -6.014 8.329 3.250 1.00 0.00 ATOM 194 NE2 HIS A 27 -6.133 7.121 2.737 1.00 0.00 ATOM 195 O HIS A 27 -5.050 8.594 -1.430 1.00 0.00 ATOM 196 C HIS A 27 -3.918 8.248 -1.094 1.00 0.00 ATOM 197 N LEU A 28 -3.299 7.187 -1.583 1.00 0.00 ATOM 198 CA LEU A 28 -3.914 6.281 -2.540 1.00 0.00 ATOM 199 CB LEU A 28 -3.426 6.598 -3.961 1.00 0.00 ATOM 200 CG LEU A 28 -3.953 5.674 -5.059 1.00 0.00 ATOM 201 CD1 LEU A 28 -5.459 5.829 -5.219 1.00 0.00 ATOM 202 CD2 LEU A 28 -3.239 5.950 -6.373 1.00 0.00 ATOM 203 O LEU A 28 -2.445 4.392 -2.382 1.00 0.00 ATOM 204 C LEU A 28 -3.571 4.841 -2.177 1.00 0.00 ATOM 205 N VAL A 29 -4.535 4.131 -1.614 1.00 0.00 ATOM 206 CA VAL A 29 -4.337 2.738 -1.228 1.00 0.00 ATOM 207 CB VAL A 29 -4.729 2.483 0.245 1.00 0.00 ATOM 208 CG1 VAL A 29 -3.812 3.247 1.183 1.00 0.00 ATOM 209 CG2 VAL A 29 -6.184 2.858 0.495 1.00 0.00 ATOM 210 O VAL A 29 -5.169 0.601 -1.961 1.00 0.00 ATOM 211 C VAL A 29 -5.159 1.825 -2.123 1.00 0.00 ATOM 212 N LEU A 30 -5.835 2.436 -3.080 1.00 0.00 ATOM 213 CA LEU A 30 -6.768 1.723 -3.927 1.00 0.00 ATOM 214 CB LEU A 30 -8.019 2.575 -4.178 1.00 0.00 ATOM 215 CG LEU A 30 -9.164 1.869 -4.908 1.00 0.00 ATOM 216 CD1 LEU A 30 -9.605 0.627 -4.150 1.00 0.00 ATOM 217 CD2 LEU A 30 -10.332 2.820 -5.090 1.00 0.00 ATOM 218 O LEU A 30 -6.219 2.035 -6.248 1.00 0.00 ATOM 219 C LEU A 30 -6.110 1.330 -5.242 1.00 0.00 ATOM 220 N ASP A 31 -5.381 0.226 -5.206 1.00 0.00 ATOM 221 CA ASP A 31 -4.818 -0.360 -6.413 1.00 0.00 ATOM 222 CB ASP A 31 -3.591 -1.211 -6.070 1.00 0.00 ATOM 223 CG ASP A 31 -2.938 -1.819 -7.296 1.00 0.00 ATOM 224 OD1 ASP A 31 -3.027 -3.051 -7.470 1.00 0.00 ATOM 225 OD2 ASP A 31 -2.313 -1.074 -8.078 1.00 0.00 ATOM 226 O ASP A 31 -6.370 -0.889 -8.174 1.00 0.00 ATOM 227 C ASP A 31 -5.893 -1.205 -7.083 1.00 0.00 ATOM 228 N GLN A 32 -6.282 -2.272 -6.401 1.00 0.00 ATOM 229 CA GLN A 32 -7.464 -3.038 -6.757 1.00 0.00 ATOM 230 CB GLN A 32 -7.108 -4.301 -7.551 1.00 0.00 ATOM 231 CG GLN A 32 -6.470 -4.026 -8.903 1.00 0.00 ATOM 232 CD GLN A 32 -6.442 -5.253 -9.792 1.00 0.00 ATOM 233 OE1 GLN A 32 -7.364 -5.489 -10.573 1.00 0.00 ATOM 234 NE2 GLN A 32 -5.396 -6.047 -9.669 1.00 0.00 ATOM 235 O GLN A 32 -7.551 -3.567 -4.430 1.00 0.00 ATOM 236 C GLN A 32 -8.187 -3.418 -5.477 1.00 0.00 ATOM 237 N ASN A 33 -9.497 -3.554 -5.540 1.00 0.00 ATOM 238 CA ASN A 33 -10.264 -3.896 -4.355 1.00 0.00 ATOM 239 CB ASN A 33 -11.049 -2.682 -3.852 1.00 0.00 ATOM 240 CG ASN A 33 -11.699 -2.939 -2.505 1.00 0.00 ATOM 241 ND2 ASN A 33 -12.814 -2.276 -2.241 1.00 0.00 ATOM 242 OD1 ASN A 33 -11.191 -3.725 -1.702 1.00 0.00 ATOM 243 O ASN A 33 -12.088 -4.968 -5.490 1.00 0.00 ATOM 244 C ASN A 33 -11.210 -5.053 -4.631 1.00 0.00 ATOM 245 N MET A 34 -11.011 -6.140 -3.905 1.00 0.00 ATOM 246 CA MET A 34 -11.870 -7.307 -4.021 1.00 0.00 ATOM 247 CB MET A 34 -11.167 -8.534 -3.433 1.00 0.00 ATOM 248 CG MET A 34 -11.939 -9.833 -3.605 1.00 0.00 ATOM 249 SD MET A 34 -11.040 -11.266 -2.975 1.00 0.00 ATOM 250 CE MET A 34 -12.214 -12.576 -3.320 1.00 0.00 ATOM 251 O MET A 34 -13.221 -6.316 -2.311 1.00 0.00 ATOM 252 C MET A 34 -13.188 -7.046 -3.300 1.00 0.00 ATOM 253 N SER A 35 -14.271 -7.616 -3.809 1.00 0.00 ATOM 254 CA SER A 35 -15.584 -7.429 -3.213 1.00 0.00 ATOM 255 CB SER A 35 -16.637 -8.132 -4.065 1.00 0.00 ATOM 256 OG SER A 35 -16.592 -7.643 -5.393 1.00 0.00 ATOM 257 O SER A 35 -14.890 -8.865 -1.410 1.00 0.00 ATOM 258 C SER A 35 -15.619 -7.942 -1.772 1.00 0.00 ATOM 259 N ILE A 36 -16.487 -7.343 -0.964 1.00 0.00 ATOM 260 CA ILE A 36 -16.537 -7.620 0.470 1.00 0.00 ATOM 261 CB ILE A 36 -17.285 -6.483 1.210 1.00 0.00 ATOM 262 CG1 ILE A 36 -17.117 -6.596 2.729 1.00 0.00 ATOM 263 CG2 ILE A 36 -18.759 -6.473 0.833 1.00 0.00 ATOM 264 CD1 ILE A 36 -15.685 -6.447 3.190 1.00 0.00 ATOM 265 O ILE A 36 -17.372 -9.361 1.923 1.00 0.00 ATOM 266 C ILE A 36 -17.190 -8.981 0.765 1.00 0.00 ATOM 267 N LEU A 37 -17.531 -9.721 -0.283 1.00 0.00 ATOM 268 CA LEU A 37 -18.098 -11.052 -0.113 1.00 0.00 ATOM 269 CB LEU A 37 -18.937 -11.444 -1.344 1.00 0.00 ATOM 270 CG LEU A 37 -19.904 -12.635 -1.175 1.00 0.00 ATOM 271 CD1 LEU A 37 -19.174 -13.970 -1.226 1.00 0.00 ATOM 272 CD2 LEU A 37 -20.683 -12.509 0.127 1.00 0.00 ATOM 273 O LEU A 37 -16.464 -12.665 -0.804 1.00 0.00 ATOM 274 C LEU A 37 -16.967 -12.048 0.132 1.00 0.00 ATOM 275 N GLU A 38 -16.550 -12.140 1.395 1.00 0.00 ATOM 276 CA GLU A 38 -15.482 -13.042 1.838 1.00 0.00 ATOM 277 CB GLU A 38 -15.979 -14.492 1.860 1.00 0.00 ATOM 278 CG GLU A 38 -14.997 -15.460 2.497 1.00 0.00 ATOM 279 CD GLU A 38 -15.614 -16.810 2.781 1.00 0.00 ATOM 280 OE1 GLU A 38 -15.451 -17.733 1.955 1.00 0.00 ATOM 281 OE2 GLU A 38 -16.276 -16.953 3.828 1.00 0.00 ATOM 282 O GLU A 38 -14.079 -13.554 -0.062 1.00 0.00 ATOM 283 C GLU A 38 -14.220 -12.907 0.979 1.00 0.00 ATOM 284 N GLY A 39 -13.303 -12.062 1.433 1.00 0.00 ATOM 285 CA GLY A 39 -12.081 -11.810 0.691 1.00 0.00 ATOM 286 O GLY A 39 -11.295 -13.952 1.421 1.00 0.00 ATOM 287 C GLY A 39 -11.172 -13.024 0.617 1.00 0.00 ATOM 288 N SER A 40 -10.259 -13.012 -0.346 1.00 0.00 ATOM 289 CA SER A 40 -9.333 -14.119 -0.546 1.00 0.00 ATOM 290 CB SER A 40 -8.830 -14.116 -1.992 1.00 0.00 ATOM 291 OG SER A 40 -8.352 -12.831 -2.364 1.00 0.00 ATOM 292 O SER A 40 -8.124 -13.179 1.314 1.00 0.00 ATOM 293 C SER A 40 -8.157 -14.038 0.429 1.00 0.00 ATOM 294 N LEU A 41 -7.193 -14.936 0.266 1.00 0.00 ATOM 295 CA LEU A 41 -6.040 -14.977 1.151 1.00 0.00 ATOM 296 CB LEU A 41 -5.517 -16.412 1.310 1.00 0.00 ATOM 297 CG LEU A 41 -6.411 -17.366 2.115 1.00 0.00 ATOM 298 CD1 LEU A 41 -7.632 -17.785 1.315 1.00 0.00 ATOM 299 CD2 LEU A 41 -5.617 -18.588 2.551 1.00 0.00 ATOM 300 O LEU A 41 -4.251 -13.401 1.417 1.00 0.00 ATOM 301 C LEU A 41 -4.932 -14.065 0.635 1.00 0.00 ATOM 302 N GLY A 42 -4.754 -14.021 -0.682 1.00 0.00 ATOM 303 CA GLY A 42 -3.738 -13.153 -1.247 1.00 0.00 ATOM 304 O GLY A 42 -2.808 -13.081 -3.442 1.00 0.00 ATOM 305 C GLY A 42 -3.826 -13.037 -2.755 1.00 0.00 ATOM 306 N VAL A 43 -5.033 -12.886 -3.276 1.00 0.00 ATOM 307 CA VAL A 43 -5.218 -12.722 -4.713 1.00 0.00 ATOM 308 CB VAL A 43 -6.558 -13.330 -5.190 1.00 0.00 ATOM 309 CG1 VAL A 43 -6.760 -13.118 -6.682 1.00 0.00 ATOM 310 CG2 VAL A 43 -6.620 -14.811 -4.856 1.00 0.00 ATOM 311 O VAL A 43 -4.652 -10.883 -6.162 1.00 0.00 ATOM 312 C VAL A 43 -5.159 -11.245 -5.100 1.00 0.00 ATOM 313 N ILE A 44 -5.661 -10.396 -4.221 1.00 0.00 ATOM 314 CA ILE A 44 -5.712 -8.968 -4.490 1.00 0.00 ATOM 315 CB ILE A 44 -7.167 -8.442 -4.461 1.00 0.00 ATOM 316 CG1 ILE A 44 -8.037 -9.187 -5.480 1.00 0.00 ATOM 317 CG2 ILE A 44 -7.205 -6.942 -4.732 1.00 0.00 ATOM 318 CD1 ILE A 44 -7.595 -9.005 -6.917 1.00 0.00 ATOM 319 O ILE A 44 -5.313 -7.936 -2.357 1.00 0.00 ATOM 320 C ILE A 44 -4.872 -8.189 -3.478 1.00 0.00 ATOM 321 N PRO A 45 -3.637 -7.830 -3.857 1.00 0.00 ATOM 322 CA PRO A 45 -2.754 -7.025 -3.030 1.00 0.00 ATOM 323 CB PRO A 45 -1.358 -7.524 -3.424 1.00 0.00 ATOM 324 CG PRO A 45 -1.518 -8.254 -4.732 1.00 0.00 ATOM 325 CD PRO A 45 -2.978 -8.203 -5.111 1.00 0.00 ATOM 326 O PRO A 45 -3.034 -5.126 -4.484 1.00 0.00 ATOM 327 C PRO A 45 -2.893 -5.530 -3.326 1.00 0.00 ATOM 328 N ARG A 46 -2.850 -4.711 -2.285 1.00 0.00 ATOM 329 CA ARG A 46 -2.964 -3.270 -2.451 1.00 0.00 ATOM 330 CB ARG A 46 -3.940 -2.676 -1.434 1.00 0.00 ATOM 331 CG ARG A 46 -5.365 -3.192 -1.558 1.00 0.00 ATOM 332 CD ARG A 46 -6.294 -2.473 -0.591 1.00 0.00 ATOM 333 NE ARG A 46 -7.638 -3.056 -0.575 1.00 0.00 ATOM 334 CZ ARG A 46 -8.330 -3.315 0.541 1.00 0.00 ATOM 335 NH1 ARG A 46 -7.803 -3.054 1.731 1.00 0.00 ATOM 336 NH2 ARG A 46 -9.552 -3.825 0.467 1.00 0.00 ATOM 337 O ARG A 46 -0.682 -3.204 -1.716 1.00 0.00 ATOM 338 C ARG A 46 -1.600 -2.615 -2.290 1.00 0.00 ATOM 339 N ARG A 47 -1.471 -1.398 -2.794 1.00 0.00 ATOM 340 CA ARG A 47 -0.240 -0.643 -2.644 1.00 0.00 ATOM 341 CB ARG A 47 0.588 -0.655 -3.937 1.00 0.00 ATOM 342 CG ARG A 47 -0.150 -0.141 -5.160 1.00 0.00 ATOM 343 CD ARG A 47 0.728 -0.213 -6.398 1.00 0.00 ATOM 344 NE ARG A 47 0.017 0.209 -7.605 1.00 0.00 ATOM 345 CZ ARG A 47 0.555 0.959 -8.565 1.00 0.00 ATOM 346 NH1 ARG A 47 1.813 1.366 -8.468 1.00 0.00 ATOM 347 NH2 ARG A 47 -0.163 1.290 -9.634 1.00 0.00 ATOM 348 O ARG A 47 -1.541 1.370 -2.663 1.00 0.00 ATOM 349 C ARG A 47 -0.562 0.779 -2.210 1.00 0.00 ATOM 350 N VAL A 48 0.255 1.309 -1.319 1.00 0.00 ATOM 351 CA VAL A 48 -0.007 2.601 -0.713 1.00 0.00 ATOM 352 CB VAL A 48 0.211 2.559 0.817 1.00 0.00 ATOM 353 CG1 VAL A 48 -0.129 3.897 1.455 1.00 0.00 ATOM 354 CG2 VAL A 48 -0.610 1.441 1.445 1.00 0.00 ATOM 355 O VAL A 48 2.104 3.629 -1.211 1.00 0.00 ATOM 356 C VAL A 48 0.878 3.683 -1.316 1.00 0.00 ATOM 357 N LEU A 49 0.246 4.646 -1.964 1.00 0.00 ATOM 358 CA LEU A 49 0.928 5.816 -2.486 1.00 0.00 ATOM 359 CB LEU A 49 0.736 5.942 -4.008 1.00 0.00 ATOM 360 CG LEU A 49 1.407 4.864 -4.871 1.00 0.00 ATOM 361 CD1 LEU A 49 0.653 3.543 -4.798 1.00 0.00 ATOM 362 CD2 LEU A 49 1.511 5.336 -6.314 1.00 0.00 ATOM 363 O LEU A 49 -0.694 7.008 -1.202 1.00 0.00 ATOM 364 C LEU A 49 0.378 7.059 -1.803 1.00 0.00 ATOM 365 N VAL A 50 1.106 8.162 -1.873 1.00 0.00 ATOM 366 CA VAL A 50 0.606 9.431 -1.354 1.00 0.00 ATOM 367 CB VAL A 50 1.174 9.784 0.047 1.00 0.00 ATOM 368 CG1 VAL A 50 0.758 8.754 1.088 1.00 0.00 ATOM 369 CG2 VAL A 50 2.685 9.919 0.006 1.00 0.00 ATOM 370 O VAL A 50 1.715 10.377 -3.259 1.00 0.00 ATOM 371 C VAL A 50 0.932 10.556 -2.322 1.00 0.00 ATOM 372 N HIS A 51 0.317 11.705 -2.103 1.00 0.00 ATOM 373 CA HIS A 51 0.573 12.876 -2.923 1.00 0.00 ATOM 374 CB HIS A 51 -0.496 13.951 -2.696 1.00 0.00 ATOM 375 CG HIS A 51 -1.890 13.536 -3.079 1.00 0.00 ATOM 376 CD2 HIS A 51 -2.397 12.332 -3.441 1.00 0.00 ATOM 377 ND1 HIS A 51 -2.954 14.411 -3.105 1.00 0.00 ATOM 378 CE1 HIS A 51 -4.049 13.766 -3.462 1.00 0.00 ATOM 379 NE2 HIS A 51 -3.737 12.502 -3.674 1.00 0.00 ATOM 380 O HIS A 51 2.301 13.520 -1.403 1.00 0.00 ATOM 381 C HIS A 51 1.942 13.438 -2.579 1.00 0.00 ATOM 382 N GLU A 52 2.703 13.829 -3.593 1.00 0.00 ATOM 383 CA GLU A 52 4.047 14.355 -3.373 1.00 0.00 ATOM 384 CB GLU A 52 4.798 14.506 -4.699 1.00 0.00 ATOM 385 CG GLU A 52 5.153 13.170 -5.334 1.00 0.00 ATOM 386 CD GLU A 52 6.104 13.299 -6.508 1.00 0.00 ATOM 387 OE1 GLU A 52 7.268 13.688 -6.291 1.00 0.00 ATOM 388 OE2 GLU A 52 5.699 12.979 -7.644 1.00 0.00 ATOM 389 O GLU A 52 5.048 16.158 -2.137 1.00 0.00 ATOM 390 C GLU A 52 4.015 15.678 -2.603 1.00 0.00 ATOM 391 N ASP A 53 2.821 16.249 -2.463 1.00 0.00 ATOM 392 CA ASP A 53 2.613 17.411 -1.604 1.00 0.00 ATOM 393 CB ASP A 53 1.126 17.785 -1.553 1.00 0.00 ATOM 394 CG ASP A 53 0.565 18.221 -2.889 1.00 0.00 ATOM 395 OD1 ASP A 53 0.260 17.346 -3.726 1.00 0.00 ATOM 396 OD2 ASP A 53 0.387 19.441 -3.094 1.00 0.00 ATOM 397 O ASP A 53 3.687 17.944 0.487 1.00 0.00 ATOM 398 C ASP A 53 3.088 17.105 -0.189 1.00 0.00 ATOM 399 N ASP A 54 2.819 15.882 0.248 1.00 0.00 ATOM 400 CA ASP A 54 3.195 15.437 1.581 1.00 0.00 ATOM 401 CB ASP A 54 1.957 15.299 2.477 1.00 0.00 ATOM 402 CG ASP A 54 1.436 16.640 2.955 1.00 0.00 ATOM 403 OD1 ASP A 54 2.040 17.221 3.881 1.00 0.00 ATOM 404 OD2 ASP A 54 0.420 17.124 2.408 1.00 0.00 ATOM 405 O ASP A 54 3.839 13.282 2.403 1.00 0.00 ATOM 406 C ASP A 54 3.935 14.111 1.503 1.00 0.00 ATOM 407 N LEU A 55 4.699 13.940 0.427 1.00 0.00 ATOM 408 CA LEU A 55 5.432 12.703 0.183 1.00 0.00 ATOM 409 CB LEU A 55 6.248 12.834 -1.112 1.00 0.00 ATOM 410 CG LEU A 55 6.500 11.530 -1.882 1.00 0.00 ATOM 411 CD1 LEU A 55 7.386 10.577 -1.093 1.00 0.00 ATOM 412 CD2 LEU A 55 5.178 10.863 -2.227 1.00 0.00 ATOM 413 O LEU A 55 6.250 11.322 1.979 1.00 0.00 ATOM 414 C LEU A 55 6.352 12.387 1.362 1.00 0.00 ATOM 415 N ALA A 56 7.233 13.326 1.675 1.00 0.00 ATOM 416 CA ALA A 56 8.166 13.161 2.779 1.00 0.00 ATOM 417 CB ALA A 56 9.220 14.259 2.756 1.00 0.00 ATOM 418 O ALA A 56 7.863 12.483 5.055 1.00 0.00 ATOM 419 C ALA A 56 7.434 13.148 4.115 1.00 0.00 ATOM 420 N GLY A 57 6.316 13.866 4.179 1.00 0.00 ATOM 421 CA GLY A 57 5.551 13.959 5.411 1.00 0.00 ATOM 422 O GLY A 57 4.964 12.209 6.931 1.00 0.00 ATOM 423 C GLY A 57 4.883 12.650 5.784 1.00 0.00 ATOM 424 N ALA A 58 4.236 12.019 4.813 1.00 0.00 ATOM 425 CA ALA A 58 3.549 10.752 5.042 1.00 0.00 ATOM 426 CB ALA A 58 2.776 10.339 3.800 1.00 0.00 ATOM 427 O ALA A 58 4.294 8.901 6.370 1.00 0.00 ATOM 428 C ALA A 58 4.537 9.663 5.435 1.00 0.00 ATOM 429 N ARG A 59 5.661 9.599 4.725 1.00 0.00 ATOM 430 CA ARG A 59 6.689 8.608 5.023 1.00 0.00 ATOM 431 CB ARG A 59 7.743 8.578 3.913 1.00 0.00 ATOM 432 CG ARG A 59 7.161 8.234 2.551 1.00 0.00 ATOM 433 CD ARG A 59 8.227 8.151 1.471 1.00 0.00 ATOM 434 NE ARG A 59 9.167 7.053 1.694 1.00 0.00 ATOM 435 CZ ARG A 59 9.190 5.931 0.967 1.00 0.00 ATOM 436 NH1 ARG A 59 8.320 5.751 -0.022 1.00 0.00 ATOM 437 NH2 ARG A 59 10.088 4.991 1.221 1.00 0.00 ATOM 438 O ARG A 59 7.712 7.984 7.107 1.00 0.00 ATOM 439 C ARG A 59 7.331 8.898 6.377 1.00 0.00 ATOM 440 N ARG A 60 7.429 10.180 6.708 1.00 0.00 ATOM 441 CA ARG A 60 7.918 10.606 8.013 1.00 0.00 ATOM 442 CB ARG A 60 7.989 12.134 8.068 1.00 0.00 ATOM 443 CG ARG A 60 8.648 12.698 9.318 1.00 0.00 ATOM 444 CD ARG A 60 10.131 12.368 9.367 1.00 0.00 ATOM 445 NE ARG A 60 10.839 13.211 10.334 1.00 0.00 ATOM 446 CZ ARG A 60 12.140 13.116 10.602 1.00 0.00 ATOM 447 NH1 ARG A 60 12.873 12.163 10.043 1.00 0.00 ATOM 448 NH2 ARG A 60 12.702 13.967 11.452 1.00 0.00 ATOM 449 O ARG A 60 7.440 9.516 10.094 1.00 0.00 ATOM 450 C ARG A 60 6.991 10.087 9.106 1.00 0.00 ATOM 451 N LEU A 61 5.691 10.272 8.899 1.00 0.00 ATOM 452 CA LEU A 61 4.680 9.829 9.850 1.00 0.00 ATOM 453 CB LEU A 61 3.291 10.233 9.355 1.00 0.00 ATOM 454 CG LEU A 61 2.132 9.874 10.287 1.00 0.00 ATOM 455 CD1 LEU A 61 2.225 10.667 11.581 1.00 0.00 ATOM 456 CD2 LEU A 61 0.801 10.128 9.601 1.00 0.00 ATOM 457 O LEU A 61 4.853 7.836 11.178 1.00 0.00 ATOM 458 C LEU A 61 4.743 8.317 10.050 1.00 0.00 ATOM 459 N LEU A 62 4.689 7.577 8.945 1.00 0.00 ATOM 460 CA LEU A 62 4.688 6.116 8.984 1.00 0.00 ATOM 461 CB LEU A 62 4.549 5.546 7.570 1.00 0.00 ATOM 462 CG LEU A 62 3.266 5.935 6.827 1.00 0.00 ATOM 463 CD1 LEU A 62 3.256 5.329 5.432 1.00 0.00 ATOM 464 CD2 LEU A 62 2.035 5.495 7.610 1.00 0.00 ATOM 465 O LEU A 62 5.929 4.476 10.224 1.00 0.00 ATOM 466 C LEU A 62 5.952 5.560 9.638 1.00 0.00 ATOM 467 N THR A 63 7.048 6.292 9.535 1.00 0.00 ATOM 468 CA THR A 63 8.305 5.860 10.120 1.00 0.00 ATOM 469 CB THR A 63 9.502 6.445 9.345 1.00 0.00 ATOM 470 CG2 THR A 63 10.821 5.922 9.894 1.00 0.00 ATOM 471 OG1 THR A 63 9.397 6.107 7.957 1.00 0.00 ATOM 472 O THR A 63 8.716 5.446 12.453 1.00 0.00 ATOM 473 C THR A 63 8.399 6.266 11.592 1.00 0.00 ATOM 474 N ASP A 64 8.101 7.527 11.872 1.00 0.00 ATOM 475 CA ASP A 64 8.292 8.088 13.209 1.00 0.00 ATOM 476 CB ASP A 64 8.257 9.615 13.137 1.00 0.00 ATOM 477 CG ASP A 64 8.618 10.279 14.451 1.00 0.00 ATOM 478 OD1 ASP A 64 9.817 10.547 14.674 1.00 0.00 ATOM 479 OD2 ASP A 64 7.709 10.556 15.255 1.00 0.00 ATOM 480 O ASP A 64 7.550 7.216 15.322 1.00 0.00 ATOM 481 C ASP A 64 7.234 7.592 14.191 1.00 0.00 ATOM 482 N ALA A 65 5.983 7.570 13.754 1.00 0.00 ATOM 483 CA ALA A 65 4.880 7.226 14.641 1.00 0.00 ATOM 484 CB ALA A 65 4.114 8.484 15.024 1.00 0.00 ATOM 485 O ALA A 65 2.750 6.177 14.298 1.00 0.00 ATOM 486 C ALA A 65 3.944 6.206 14.005 1.00 0.00 ATOM 487 N GLY A 66 4.491 5.363 13.150 1.00 0.00 ATOM 488 CA GLY A 66 3.682 4.346 12.512 1.00 0.00 ATOM 489 O GLY A 66 3.662 2.256 13.670 1.00 0.00 ATOM 490 C GLY A 66 4.187 2.949 12.796 1.00 0.00 ATOM 491 N LEU A 67 5.218 2.547 12.066 1.00 0.00 ATOM 492 CA LEU A 67 5.767 1.203 12.187 1.00 0.00 ATOM 493 CB LEU A 67 4.767 0.164 11.646 1.00 0.00 ATOM 494 CG LEU A 67 4.157 0.465 10.271 1.00 0.00 ATOM 495 CD1 LEU A 67 4.930 -0.231 9.162 1.00 0.00 ATOM 496 CD2 LEU A 67 2.696 0.049 10.235 1.00 0.00 ATOM 497 O LEU A 67 8.063 0.534 12.036 1.00 0.00 ATOM 498 C LEU A 67 7.117 1.089 11.477 1.00 0.00 ATOM 499 N ALA A 68 7.194 1.645 10.259 1.00 0.00 ATOM 500 CA ALA A 68 8.409 1.604 9.434 1.00 0.00 ATOM 501 CB ALA A 68 9.515 2.442 10.062 1.00 0.00 ATOM 502 O ALA A 68 9.610 -0.393 10.025 1.00 0.00 ATOM 503 C ALA A 68 8.887 0.173 9.204 1.00 0.00 ATOM 504 N HIS A 69 8.483 -0.418 8.086 1.00 0.00 ATOM 505 CA HIS A 69 8.850 -1.802 7.805 1.00 0.00 ATOM 506 CB HIS A 69 7.927 -2.755 8.572 1.00 0.00 ATOM 507 CG HIS A 69 8.537 -4.095 8.858 1.00 0.00 ATOM 508 CD2 HIS A 69 8.709 -5.184 8.071 1.00 0.00 ATOM 509 ND1 HIS A 69 9.050 -4.433 10.088 1.00 0.00 ATOM 510 CE1 HIS A 69 9.510 -5.668 10.049 1.00 0.00 ATOM 511 NE2 HIS A 69 9.317 -6.150 8.837 1.00 0.00 ATOM 512 O HIS A 69 9.793 -2.357 5.667 1.00 0.00 ATOM 513 C HIS A 69 8.777 -2.101 6.308 1.00 0.00 ATOM 514 N GLU A 70 7.573 -2.037 5.756 1.00 0.00 ATOM 515 CA GLU A 70 7.333 -2.444 4.372 1.00 0.00 ATOM 516 CB GLU A 70 5.894 -2.948 4.229 1.00 0.00 ATOM 517 CG GLU A 70 5.536 -4.073 5.189 1.00 0.00 ATOM 518 CD GLU A 70 6.289 -5.352 4.899 1.00 0.00 ATOM 519 OE1 GLU A 70 7.490 -5.435 5.232 1.00 0.00 ATOM 520 OE2 GLU A 70 5.683 -6.286 4.338 1.00 0.00 ATOM 521 O GLU A 70 7.142 -1.359 2.238 1.00 0.00 ATOM 522 C GLU A 70 7.569 -1.295 3.393 1.00 0.00 ATOM 523 N LEU A 71 8.261 -0.258 3.845 1.00 0.00 ATOM 524 CA LEU A 71 8.457 0.940 3.039 1.00 0.00 ATOM 525 CB LEU A 71 8.911 2.107 3.920 1.00 0.00 ATOM 526 CG LEU A 71 7.904 2.543 4.987 1.00 0.00 ATOM 527 CD1 LEU A 71 8.484 3.657 5.842 1.00 0.00 ATOM 528 CD2 LEU A 71 6.597 2.991 4.343 1.00 0.00 ATOM 529 O LEU A 71 10.582 0.252 2.147 1.00 0.00 ATOM 530 C LEU A 71 9.463 0.703 1.914 1.00 0.00 ATOM 531 N ARG A 72 9.038 1.007 0.696 1.00 0.00 ATOM 532 CA ARG A 72 9.878 0.882 -0.481 1.00 0.00 ATOM 533 CB ARG A 72 9.215 -0.074 -1.481 1.00 0.00 ATOM 534 CG ARG A 72 10.115 -0.511 -2.628 1.00 0.00 ATOM 535 CD ARG A 72 11.331 -1.274 -2.125 1.00 0.00 ATOM 536 NE ARG A 72 12.126 -1.820 -3.223 1.00 0.00 ATOM 537 CZ ARG A 72 13.434 -2.053 -3.150 1.00 0.00 ATOM 538 NH1 ARG A 72 14.113 -1.733 -2.056 1.00 0.00 ATOM 539 NH2 ARG A 72 14.073 -2.599 -4.174 1.00 0.00 ATOM 540 O ARG A 72 9.381 3.212 -0.743 1.00 0.00 ATOM 541 C ARG A 72 10.080 2.264 -1.102 1.00 0.00 ATOM 542 N SER A 73 11.029 2.383 -2.014 1.00 0.00 ATOM 543 CA SER A 73 11.337 3.661 -2.638 1.00 0.00 ATOM 544 CB SER A 73 12.849 3.896 -2.589 1.00 0.00 ATOM 545 OG SER A 73 13.571 2.719 -2.936 1.00 0.00 ATOM 546 O SER A 73 10.316 2.713 -4.595 1.00 0.00 ATOM 547 C SER A 73 10.837 3.705 -4.082 1.00 0.00 ATOM 548 N ASP A 74 10.974 4.862 -4.723 1.00 0.00 ATOM 549 CA ASP A 74 10.698 4.972 -6.150 1.00 0.00 ATOM 550 CB ASP A 74 10.236 6.394 -6.541 1.00 0.00 ATOM 551 CG ASP A 74 11.239 7.490 -6.216 1.00 0.00 ATOM 552 OD1 ASP A 74 11.874 8.016 -7.152 1.00 0.00 ATOM 553 OD2 ASP A 74 11.378 7.848 -5.028 1.00 0.00 ATOM 554 O ASP A 74 12.670 5.349 -7.496 1.00 0.00 ATOM 555 C ASP A 74 11.935 4.539 -6.938 1.00 0.00 ATOM 556 N ASP A 75 12.177 3.239 -6.925 1.00 0.00 ATOM 557 CA ASP A 75 13.360 2.657 -7.547 1.00 0.00 ATOM 558 CB ASP A 75 13.929 1.549 -6.642 1.00 0.00 ATOM 559 CG ASP A 75 12.847 0.775 -5.903 1.00 0.00 ATOM 560 OD1 ASP A 75 12.157 -0.059 -6.529 1.00 0.00 ATOM 561 OD2 ASP A 75 12.682 1.008 -4.687 1.00 0.00 ATOM 562 O ASP A 75 12.534 2.884 -9.773 1.00 0.00 ATOM 563 C ASP A 75 13.043 2.110 -8.937 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 T0349.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.720 # GDT_score = -54.667 # GDT_score(maxd=8.000,maxw=2.900)= -56.862 # GDT_score(maxd=8.000,maxw=3.200)= -54.404 # GDT_score(maxd=8.000,maxw=3.500)= -51.749 # GDT_score(maxd=10.000,maxw=3.800)= -53.636 # GDT_score(maxd=10.000,maxw=4.000)= -51.921 # GDT_score(maxd=10.000,maxw=4.200)= -50.162 # GDT_score(maxd=12.000,maxw=4.300)= -52.841 # GDT_score(maxd=12.000,maxw=4.500)= -51.136 # GDT_score(maxd=12.000,maxw=4.700)= -49.493 # GDT_score(maxd=14.000,maxw=5.200)= -48.360 # GDT_score(maxd=14.000,maxw=5.500)= -46.182 # command:# ReadConformPDB reading from PDB file T0349.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.760 # GDT_score = -38.000 # GDT_score(maxd=8.000,maxw=2.900)= -37.272 # GDT_score(maxd=8.000,maxw=3.200)= -35.403 # GDT_score(maxd=8.000,maxw=3.500)= -33.806 # GDT_score(maxd=10.000,maxw=3.800)= -37.021 # GDT_score(maxd=10.000,maxw=4.000)= -35.970 # GDT_score(maxd=10.000,maxw=4.200)= -35.019 # GDT_score(maxd=12.000,maxw=4.300)= -38.223 # GDT_score(maxd=12.000,maxw=4.500)= -37.236 # GDT_score(maxd=12.000,maxw=4.700)= -36.296 # GDT_score(maxd=14.000,maxw=5.200)= -36.779 # GDT_score(maxd=14.000,maxw=5.500)= -35.402 # command:# ReadConformPDB reading from PDB file T0349.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0349.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0349.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0349 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 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try1-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 T0349.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try10-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 T0349.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try11-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 T0349.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try11-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 T0349.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try12-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 T0349.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try13-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 T0349.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try16-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 T0349.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try16-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 T0349.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try18-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 T0349.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try2-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 T0349.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try20-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 T0349.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try5-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 T0349.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try6-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 T0349.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try6-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 T0349.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 T0349.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.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 T0349.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try8-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 T0349.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0349.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1723589034.pdb -s /var/tmp/to_scwrl_1723589034.seq -o /var/tmp/from_scwrl_1723589034.pdb > /var/tmp/scwrl_1723589034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1723589034.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_865126138.pdb -s /var/tmp/to_scwrl_865126138.seq -o /var/tmp/from_scwrl_865126138.pdb > /var/tmp/scwrl_865126138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865126138.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 65 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1050804060.pdb -s /var/tmp/to_scwrl_1050804060.seq -o /var/tmp/from_scwrl_1050804060.pdb > /var/tmp/scwrl_1050804060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050804060.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_743611316.pdb -s /var/tmp/to_scwrl_743611316.seq -o /var/tmp/from_scwrl_743611316.pdb > /var/tmp/scwrl_743611316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743611316.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1678787691.pdb -s /var/tmp/to_scwrl_1678787691.seq -o /var/tmp/from_scwrl_1678787691.pdb > /var/tmp/scwrl_1678787691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678787691.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_79689146.pdb -s /var/tmp/to_scwrl_79689146.seq -o /var/tmp/from_scwrl_79689146.pdb > /var/tmp/scwrl_79689146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_79689146.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 T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1159634731.pdb -s /var/tmp/to_scwrl_1159634731.seq -o /var/tmp/from_scwrl_1159634731.pdb > /var/tmp/scwrl_1159634731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1159634731.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_361250665.pdb -s /var/tmp/to_scwrl_361250665.seq -o /var/tmp/from_scwrl_361250665.pdb > /var/tmp/scwrl_361250665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_361250665.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 T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1483150035.pdb -s /var/tmp/to_scwrl_1483150035.seq -o /var/tmp/from_scwrl_1483150035.pdb > /var/tmp/scwrl_1483150035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1483150035.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_93830732.pdb -s /var/tmp/to_scwrl_93830732.seq -o /var/tmp/from_scwrl_93830732.pdb > /var/tmp/scwrl_93830732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_93830732.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 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1615752434.pdb -s /var/tmp/to_scwrl_1615752434.seq -o /var/tmp/from_scwrl_1615752434.pdb > /var/tmp/scwrl_1615752434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1615752434.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 T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1527687619.pdb -s /var/tmp/to_scwrl_1527687619.seq -o /var/tmp/from_scwrl_1527687619.pdb > /var/tmp/scwrl_1527687619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1527687619.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 T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_715704863.pdb -s /var/tmp/to_scwrl_715704863.seq -o /var/tmp/from_scwrl_715704863.pdb > /var/tmp/scwrl_715704863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_715704863.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 T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1653343612.pdb -s /var/tmp/to_scwrl_1653343612.seq -o /var/tmp/from_scwrl_1653343612.pdb > /var/tmp/scwrl_1653343612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1653343612.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 T0349 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2087737318.pdb -s /var/tmp/to_scwrl_2087737318.seq -o /var/tmp/from_scwrl_2087737318.pdb > /var/tmp/scwrl_2087737318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2087737318.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 70 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1078246715.pdb -s /var/tmp/to_scwrl_1078246715.seq -o /var/tmp/from_scwrl_1078246715.pdb > /var/tmp/scwrl_1078246715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1078246715.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 47 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1225004389.pdb -s /var/tmp/to_scwrl_1225004389.seq -o /var/tmp/from_scwrl_1225004389.pdb > /var/tmp/scwrl_1225004389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1225004389.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 62 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1129183758.pdb -s /var/tmp/to_scwrl_1129183758.seq -o /var/tmp/from_scwrl_1129183758.pdb > /var/tmp/scwrl_1129183758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1129183758.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 43 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_441704550.pdb -s /var/tmp/to_scwrl_441704550.seq -o /var/tmp/from_scwrl_441704550.pdb > /var/tmp/scwrl_441704550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_441704550.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 46 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_900583823.pdb -s /var/tmp/to_scwrl_900583823.seq -o /var/tmp/from_scwrl_900583823.pdb > /var/tmp/scwrl_900583823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_900583823.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 70 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1820331824.pdb -s /var/tmp/to_scwrl_1820331824.seq -o /var/tmp/from_scwrl_1820331824.pdb > /var/tmp/scwrl_1820331824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1820331824.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 62 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_579145414.pdb -s /var/tmp/to_scwrl_579145414.seq -o /var/tmp/from_scwrl_579145414.pdb > /var/tmp/scwrl_579145414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579145414.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 49 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_912682439.pdb -s /var/tmp/to_scwrl_912682439.seq -o /var/tmp/from_scwrl_912682439.pdb > /var/tmp/scwrl_912682439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912682439.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 43 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_832088575.pdb -s /var/tmp/to_scwrl_832088575.seq -o /var/tmp/from_scwrl_832088575.pdb > /var/tmp/scwrl_832088575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_832088575.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 65 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_449336945.pdb -s /var/tmp/to_scwrl_449336945.seq -o /var/tmp/from_scwrl_449336945.pdb > /var/tmp/scwrl_449336945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_449336945.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 68 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1439849521.pdb -s /var/tmp/to_scwrl_1439849521.seq -o /var/tmp/from_scwrl_1439849521.pdb > /var/tmp/scwrl_1439849521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1439849521.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1239816696.pdb -s /var/tmp/to_scwrl_1239816696.seq -o /var/tmp/from_scwrl_1239816696.pdb > /var/tmp/scwrl_1239816696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1239816696.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1974994802.pdb -s /var/tmp/to_scwrl_1974994802.seq -o /var/tmp/from_scwrl_1974994802.pdb > /var/tmp/scwrl_1974994802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1974994802.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2008899238.pdb -s /var/tmp/to_scwrl_2008899238.seq -o /var/tmp/from_scwrl_2008899238.pdb > /var/tmp/scwrl_2008899238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2008899238.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_104801524.pdb -s /var/tmp/to_scwrl_104801524.seq -o /var/tmp/from_scwrl_104801524.pdb > /var/tmp/scwrl_104801524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104801524.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1725045139.pdb -s /var/tmp/to_scwrl_1725045139.seq -o /var/tmp/from_scwrl_1725045139.pdb > /var/tmp/scwrl_1725045139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725045139.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1585004625.pdb -s /var/tmp/to_scwrl_1585004625.seq -o /var/tmp/from_scwrl_1585004625.pdb > /var/tmp/scwrl_1585004625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1585004625.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_969927662.pdb -s /var/tmp/to_scwrl_969927662.seq -o /var/tmp/from_scwrl_969927662.pdb > /var/tmp/scwrl_969927662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_969927662.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 74 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_628365552.pdb -s /var/tmp/to_scwrl_628365552.seq -o /var/tmp/from_scwrl_628365552.pdb > /var/tmp/scwrl_628365552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_628365552.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_181132294.pdb -s /var/tmp/to_scwrl_181132294.seq -o /var/tmp/from_scwrl_181132294.pdb > /var/tmp/scwrl_181132294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_181132294.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_501231706.pdb -s /var/tmp/to_scwrl_501231706.seq -o /var/tmp/from_scwrl_501231706.pdb > /var/tmp/scwrl_501231706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_501231706.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 T0349 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_708054698.pdb -s /var/tmp/to_scwrl_708054698.seq -o /var/tmp/from_scwrl_708054698.pdb > /var/tmp/scwrl_708054698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708054698.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 T0349 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1340767026.pdb -s /var/tmp/to_scwrl_1340767026.seq -o /var/tmp/from_scwrl_1340767026.pdb > /var/tmp/scwrl_1340767026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340767026.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 71 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_862482372.pdb -s /var/tmp/to_scwrl_862482372.seq -o /var/tmp/from_scwrl_862482372.pdb > /var/tmp/scwrl_862482372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862482372.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 T0349 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_43721086.pdb -s /var/tmp/to_scwrl_43721086.seq -o /var/tmp/from_scwrl_43721086.pdb > /var/tmp/scwrl_43721086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_43721086.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1434597758.pdb -s /var/tmp/to_scwrl_1434597758.seq -o /var/tmp/from_scwrl_1434597758.pdb > /var/tmp/scwrl_1434597758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434597758.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 T0349 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_330751159.pdb -s /var/tmp/to_scwrl_330751159.seq -o /var/tmp/from_scwrl_330751159.pdb > /var/tmp/scwrl_330751159.log Error: can't open any of /var/tmp/from_scwrl_330751159.pdb or /var/tmp/from_scwrl_330751159_b.pdb or /var/tmp/from_scwrl_330751159_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 T0349 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1571408705.pdb -s /var/tmp/to_scwrl_1571408705.seq -o /var/tmp/from_scwrl_1571408705.pdb > /var/tmp/scwrl_1571408705.log Error: can't open any of /var/tmp/from_scwrl_1571408705.pdb or /var/tmp/from_scwrl_1571408705_b.pdb or /var/tmp/from_scwrl_1571408705_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 T0349 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2818974.pdb -s /var/tmp/to_scwrl_2818974.seq -o /var/tmp/from_scwrl_2818974.pdb > /var/tmp/scwrl_2818974.log Error: can't open any of /var/tmp/from_scwrl_2818974.pdb or /var/tmp/from_scwrl_2818974_b.pdb or /var/tmp/from_scwrl_2818974_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 T0349 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1984094771.pdb -s /var/tmp/to_scwrl_1984094771.seq -o /var/tmp/from_scwrl_1984094771.pdb > /var/tmp/scwrl_1984094771.log Error: can't open any of /var/tmp/from_scwrl_1984094771.pdb or /var/tmp/from_scwrl_1984094771_b.pdb or /var/tmp/from_scwrl_1984094771_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 T0349 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1511662377.pdb -s /var/tmp/to_scwrl_1511662377.seq -o /var/tmp/from_scwrl_1511662377.pdb > /var/tmp/scwrl_1511662377.log Error: can't open any of /var/tmp/from_scwrl_1511662377.pdb or /var/tmp/from_scwrl_1511662377_b.pdb or /var/tmp/from_scwrl_1511662377_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 72 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1081065690.pdb -s /var/tmp/to_scwrl_1081065690.seq -o /var/tmp/from_scwrl_1081065690.pdb > /var/tmp/scwrl_1081065690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081065690.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1061615515.pdb -s /var/tmp/to_scwrl_1061615515.seq -o /var/tmp/from_scwrl_1061615515.pdb > /var/tmp/scwrl_1061615515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061615515.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 74 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_493362489.pdb -s /var/tmp/to_scwrl_493362489.seq -o /var/tmp/from_scwrl_493362489.pdb > /var/tmp/scwrl_493362489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493362489.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 73 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1522770240.pdb -s /var/tmp/to_scwrl_1522770240.seq -o /var/tmp/from_scwrl_1522770240.pdb > /var/tmp/scwrl_1522770240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1522770240.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 74 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1962199337.pdb -s /var/tmp/to_scwrl_1962199337.seq -o /var/tmp/from_scwrl_1962199337.pdb > /var/tmp/scwrl_1962199337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962199337.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 67 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_166210666.pdb -s /var/tmp/to_scwrl_166210666.seq -o /var/tmp/from_scwrl_166210666.pdb > /var/tmp/scwrl_166210666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166210666.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2101915654.pdb -s /var/tmp/to_scwrl_2101915654.seq -o /var/tmp/from_scwrl_2101915654.pdb > /var/tmp/scwrl_2101915654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101915654.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 74 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_727398129.pdb -s /var/tmp/to_scwrl_727398129.seq -o /var/tmp/from_scwrl_727398129.pdb > /var/tmp/scwrl_727398129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_727398129.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_998299242.pdb -s /var/tmp/to_scwrl_998299242.seq -o /var/tmp/from_scwrl_998299242.pdb > /var/tmp/scwrl_998299242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_998299242.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 70 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_403768952.pdb -s /var/tmp/to_scwrl_403768952.seq -o /var/tmp/from_scwrl_403768952.pdb > /var/tmp/scwrl_403768952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403768952.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 43 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_19764004.pdb -s /var/tmp/to_scwrl_19764004.seq -o /var/tmp/from_scwrl_19764004.pdb > /var/tmp/scwrl_19764004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_19764004.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 17 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_90632291.pdb -s /var/tmp/to_scwrl_90632291.seq -o /var/tmp/from_scwrl_90632291.pdb > /var/tmp/scwrl_90632291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_90632291.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_231280108.pdb -s /var/tmp/to_scwrl_231280108.seq -o /var/tmp/from_scwrl_231280108.pdb > /var/tmp/scwrl_231280108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_231280108.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 47 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2028663242.pdb -s /var/tmp/to_scwrl_2028663242.seq -o /var/tmp/from_scwrl_2028663242.pdb > /var/tmp/scwrl_2028663242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028663242.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 43 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_195433816.pdb -s /var/tmp/to_scwrl_195433816.seq -o /var/tmp/from_scwrl_195433816.pdb > /var/tmp/scwrl_195433816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195433816.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 T0349 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1956325247.pdb -s /var/tmp/to_scwrl_1956325247.seq -o /var/tmp/from_scwrl_1956325247.pdb > /var/tmp/scwrl_1956325247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956325247.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1466184220.pdb -s /var/tmp/to_scwrl_1466184220.seq -o /var/tmp/from_scwrl_1466184220.pdb > /var/tmp/scwrl_1466184220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1466184220.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 T0349 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1165361477.pdb -s /var/tmp/to_scwrl_1165361477.seq -o /var/tmp/from_scwrl_1165361477.pdb > /var/tmp/scwrl_1165361477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1165361477.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_437207153.pdb -s /var/tmp/to_scwrl_437207153.seq -o /var/tmp/from_scwrl_437207153.pdb > /var/tmp/scwrl_437207153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_437207153.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1647316515.pdb -s /var/tmp/to_scwrl_1647316515.seq -o /var/tmp/from_scwrl_1647316515.pdb > /var/tmp/scwrl_1647316515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1647316515.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1666593184.pdb -s /var/tmp/to_scwrl_1666593184.seq -o /var/tmp/from_scwrl_1666593184.pdb > /var/tmp/scwrl_1666593184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666593184.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1145261850.pdb -s /var/tmp/to_scwrl_1145261850.seq -o /var/tmp/from_scwrl_1145261850.pdb > /var/tmp/scwrl_1145261850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145261850.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 T0349 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_840599895.pdb -s /var/tmp/to_scwrl_840599895.seq -o /var/tmp/from_scwrl_840599895.pdb > /var/tmp/scwrl_840599895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_840599895.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_381591909.pdb -s /var/tmp/to_scwrl_381591909.seq -o /var/tmp/from_scwrl_381591909.pdb > /var/tmp/scwrl_381591909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_381591909.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1188982937.pdb -s /var/tmp/to_scwrl_1188982937.seq -o /var/tmp/from_scwrl_1188982937.pdb > /var/tmp/scwrl_1188982937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1188982937.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 73 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_127714006.pdb -s /var/tmp/to_scwrl_127714006.seq -o /var/tmp/from_scwrl_127714006.pdb > /var/tmp/scwrl_127714006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127714006.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 73 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_712343068.pdb -s /var/tmp/to_scwrl_712343068.seq -o /var/tmp/from_scwrl_712343068.pdb > /var/tmp/scwrl_712343068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712343068.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 74 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_612907996.pdb -s /var/tmp/to_scwrl_612907996.seq -o /var/tmp/from_scwrl_612907996.pdb > /var/tmp/scwrl_612907996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612907996.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 74 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_130532981.pdb -s /var/tmp/to_scwrl_130532981.seq -o /var/tmp/from_scwrl_130532981.pdb > /var/tmp/scwrl_130532981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_130532981.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 74 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_548954192.pdb -s /var/tmp/to_scwrl_548954192.seq -o /var/tmp/from_scwrl_548954192.pdb > /var/tmp/scwrl_548954192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_548954192.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 52 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2124570373.pdb -s /var/tmp/to_scwrl_2124570373.seq -o /var/tmp/from_scwrl_2124570373.pdb > /var/tmp/scwrl_2124570373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2124570373.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 49 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1211598671.pdb -s /var/tmp/to_scwrl_1211598671.seq -o /var/tmp/from_scwrl_1211598671.pdb > /var/tmp/scwrl_1211598671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211598671.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 69 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1610569706.pdb -s /var/tmp/to_scwrl_1610569706.seq -o /var/tmp/from_scwrl_1610569706.pdb > /var/tmp/scwrl_1610569706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1610569706.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_470449216.pdb -s /var/tmp/to_scwrl_470449216.seq -o /var/tmp/from_scwrl_470449216.pdb > /var/tmp/scwrl_470449216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_470449216.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_586885265.pdb -s /var/tmp/to_scwrl_586885265.seq -o /var/tmp/from_scwrl_586885265.pdb > /var/tmp/scwrl_586885265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_586885265.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 T0349 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1425285396.pdb -s /var/tmp/to_scwrl_1425285396.seq -o /var/tmp/from_scwrl_1425285396.pdb > /var/tmp/scwrl_1425285396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425285396.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 T0349 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_636659882.pdb -s /var/tmp/to_scwrl_636659882.seq -o /var/tmp/from_scwrl_636659882.pdb > /var/tmp/scwrl_636659882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_636659882.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 T0349 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_541317273.pdb -s /var/tmp/to_scwrl_541317273.seq -o /var/tmp/from_scwrl_541317273.pdb > /var/tmp/scwrl_541317273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_541317273.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 T0349 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_5199879.pdb -s /var/tmp/to_scwrl_5199879.seq -o /var/tmp/from_scwrl_5199879.pdb > /var/tmp/scwrl_5199879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_5199879.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 T0349 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1634959123.pdb -s /var/tmp/to_scwrl_1634959123.seq -o /var/tmp/from_scwrl_1634959123.pdb > /var/tmp/scwrl_1634959123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1634959123.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 74 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_945086225.pdb -s /var/tmp/to_scwrl_945086225.seq -o /var/tmp/from_scwrl_945086225.pdb > /var/tmp/scwrl_945086225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_945086225.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 70 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_24963883.pdb -s /var/tmp/to_scwrl_24963883.seq -o /var/tmp/from_scwrl_24963883.pdb > /var/tmp/scwrl_24963883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24963883.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 73 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1725591415.pdb -s /var/tmp/to_scwrl_1725591415.seq -o /var/tmp/from_scwrl_1725591415.pdb > /var/tmp/scwrl_1725591415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725591415.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 74 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1176366332.pdb -s /var/tmp/to_scwrl_1176366332.seq -o /var/tmp/from_scwrl_1176366332.pdb > /var/tmp/scwrl_1176366332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176366332.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 74 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2053627125.pdb -s /var/tmp/to_scwrl_2053627125.seq -o /var/tmp/from_scwrl_2053627125.pdb > /var/tmp/scwrl_2053627125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2053627125.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1921025231.pdb -s /var/tmp/to_scwrl_1921025231.seq -o /var/tmp/from_scwrl_1921025231.pdb > /var/tmp/scwrl_1921025231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1921025231.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_985207934.pdb -s /var/tmp/to_scwrl_985207934.seq -o /var/tmp/from_scwrl_985207934.pdb > /var/tmp/scwrl_985207934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_985207934.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1372327698.pdb -s /var/tmp/to_scwrl_1372327698.seq -o /var/tmp/from_scwrl_1372327698.pdb > /var/tmp/scwrl_1372327698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1372327698.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 69 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_938903062.pdb -s /var/tmp/to_scwrl_938903062.seq -o /var/tmp/from_scwrl_938903062.pdb > /var/tmp/scwrl_938903062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_938903062.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 67 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1422415086.pdb -s /var/tmp/to_scwrl_1422415086.seq -o /var/tmp/from_scwrl_1422415086.pdb > /var/tmp/scwrl_1422415086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1422415086.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_872160567.pdb -s /var/tmp/to_scwrl_872160567.seq -o /var/tmp/from_scwrl_872160567.pdb > /var/tmp/scwrl_872160567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_872160567.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_458012599.pdb -s /var/tmp/to_scwrl_458012599.seq -o /var/tmp/from_scwrl_458012599.pdb > /var/tmp/scwrl_458012599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_458012599.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 67 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_420193290.pdb -s /var/tmp/to_scwrl_420193290.seq -o /var/tmp/from_scwrl_420193290.pdb > /var/tmp/scwrl_420193290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420193290.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 67 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1712760461.pdb -s /var/tmp/to_scwrl_1712760461.seq -o /var/tmp/from_scwrl_1712760461.pdb > /var/tmp/scwrl_1712760461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712760461.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 67 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_839604508.pdb -s /var/tmp/to_scwrl_839604508.seq -o /var/tmp/from_scwrl_839604508.pdb > /var/tmp/scwrl_839604508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_839604508.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 T0349 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1609176227.pdb -s /var/tmp/to_scwrl_1609176227.seq -o /var/tmp/from_scwrl_1609176227.pdb > /var/tmp/scwrl_1609176227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1609176227.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 T0349 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1840474468.pdb -s /var/tmp/to_scwrl_1840474468.seq -o /var/tmp/from_scwrl_1840474468.pdb > /var/tmp/scwrl_1840474468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1840474468.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 T0349 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1551947575.pdb -s /var/tmp/to_scwrl_1551947575.seq -o /var/tmp/from_scwrl_1551947575.pdb > /var/tmp/scwrl_1551947575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1551947575.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 T0349 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_74600577.pdb -s /var/tmp/to_scwrl_74600577.seq -o /var/tmp/from_scwrl_74600577.pdb > /var/tmp/scwrl_74600577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_74600577.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 T0349 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1971007449.pdb -s /var/tmp/to_scwrl_1971007449.seq -o /var/tmp/from_scwrl_1971007449.pdb > /var/tmp/scwrl_1971007449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1971007449.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 T0349 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2100901768.pdb -s /var/tmp/to_scwrl_2100901768.seq -o /var/tmp/from_scwrl_2100901768.pdb > /var/tmp/scwrl_2100901768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100901768.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 T0349 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_51687303.pdb -s /var/tmp/to_scwrl_51687303.seq -o /var/tmp/from_scwrl_51687303.pdb > /var/tmp/scwrl_51687303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_51687303.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 T0349 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1035122474.pdb -s /var/tmp/to_scwrl_1035122474.seq -o /var/tmp/from_scwrl_1035122474.pdb > /var/tmp/scwrl_1035122474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1035122474.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 T0349 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1563987827.pdb -s /var/tmp/to_scwrl_1563987827.seq -o /var/tmp/from_scwrl_1563987827.pdb > /var/tmp/scwrl_1563987827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563987827.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 T0349 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_522136519.pdb -s /var/tmp/to_scwrl_522136519.seq -o /var/tmp/from_scwrl_522136519.pdb > /var/tmp/scwrl_522136519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_522136519.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1622007738.pdb -s /var/tmp/to_scwrl_1622007738.seq -o /var/tmp/from_scwrl_1622007738.pdb > /var/tmp/scwrl_1622007738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1622007738.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 68 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_841789578.pdb -s /var/tmp/to_scwrl_841789578.seq -o /var/tmp/from_scwrl_841789578.pdb > /var/tmp/scwrl_841789578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841789578.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 68 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1158796401.pdb -s /var/tmp/to_scwrl_1158796401.seq -o /var/tmp/from_scwrl_1158796401.pdb > /var/tmp/scwrl_1158796401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1158796401.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 42 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_15841364.pdb -s /var/tmp/to_scwrl_15841364.seq -o /var/tmp/from_scwrl_15841364.pdb > /var/tmp/scwrl_15841364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_15841364.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 # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_846989457.pdb -s /var/tmp/to_scwrl_846989457.seq -o /var/tmp/from_scwrl_846989457.pdb > /var/tmp/scwrl_846989457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846989457.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 67 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_646271878.pdb -s /var/tmp/to_scwrl_646271878.seq -o /var/tmp/from_scwrl_646271878.pdb > /var/tmp/scwrl_646271878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_646271878.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 68 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_960927590.pdb -s /var/tmp/to_scwrl_960927590.seq -o /var/tmp/from_scwrl_960927590.pdb > /var/tmp/scwrl_960927590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_960927590.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_871953340.pdb -s /var/tmp/to_scwrl_871953340.seq -o /var/tmp/from_scwrl_871953340.pdb > /var/tmp/scwrl_871953340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_871953340.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 67 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_224379646.pdb -s /var/tmp/to_scwrl_224379646.seq -o /var/tmp/from_scwrl_224379646.pdb > /var/tmp/scwrl_224379646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224379646.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 67 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2137293922.pdb -s /var/tmp/to_scwrl_2137293922.seq -o /var/tmp/from_scwrl_2137293922.pdb > /var/tmp/scwrl_2137293922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2137293922.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 37 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_778096818.pdb -s /var/tmp/to_scwrl_778096818.seq -o /var/tmp/from_scwrl_778096818.pdb > /var/tmp/scwrl_778096818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778096818.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 74 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2145404877.pdb -s /var/tmp/to_scwrl_2145404877.seq -o /var/tmp/from_scwrl_2145404877.pdb > /var/tmp/scwrl_2145404877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2145404877.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 72 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_975018209.pdb -s /var/tmp/to_scwrl_975018209.seq -o /var/tmp/from_scwrl_975018209.pdb > /var/tmp/scwrl_975018209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975018209.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 73 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2940869.pdb -s /var/tmp/to_scwrl_2940869.seq -o /var/tmp/from_scwrl_2940869.pdb > /var/tmp/scwrl_2940869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2940869.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 73 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_936824293.pdb -s /var/tmp/to_scwrl_936824293.seq -o /var/tmp/from_scwrl_936824293.pdb > /var/tmp/scwrl_936824293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936824293.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 74 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_249949648.pdb -s /var/tmp/to_scwrl_249949648.seq -o /var/tmp/from_scwrl_249949648.pdb > /var/tmp/scwrl_249949648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249949648.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 T0349 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_875101437.pdb -s /var/tmp/to_scwrl_875101437.seq -o /var/tmp/from_scwrl_875101437.pdb > /var/tmp/scwrl_875101437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875101437.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 69 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1394836891.pdb -s /var/tmp/to_scwrl_1394836891.seq -o /var/tmp/from_scwrl_1394836891.pdb > /var/tmp/scwrl_1394836891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394836891.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 74 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_670142939.pdb -s /var/tmp/to_scwrl_670142939.seq -o /var/tmp/from_scwrl_670142939.pdb > /var/tmp/scwrl_670142939.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_670142939.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 73 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_440378251.pdb -s /var/tmp/to_scwrl_440378251.seq -o /var/tmp/from_scwrl_440378251.pdb > /var/tmp/scwrl_440378251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440378251.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 69 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_86957753.pdb -s /var/tmp/to_scwrl_86957753.seq -o /var/tmp/from_scwrl_86957753.pdb > /var/tmp/scwrl_86957753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86957753.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 70 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_131835519.pdb -s /var/tmp/to_scwrl_131835519.seq -o /var/tmp/from_scwrl_131835519.pdb > /var/tmp/scwrl_131835519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_131835519.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 68 ; scwrl -i /var/tmp/to_scwrl_133369072.pdb -s /var/tmp/to_scwrl_133369072.seq -o /var/tmp/from_scwrl_133369072.pdb > /var/tmp/scwrl_133369072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_133369072.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 68 ; scwrl -i /var/tmp/to_scwrl_1638905328.pdb -s /var/tmp/to_scwrl_1638905328.seq -o /var/tmp/from_scwrl_1638905328.pdb > /var/tmp/scwrl_1638905328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1638905328.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 68 ; scwrl -i /var/tmp/to_scwrl_206436096.pdb -s /var/tmp/to_scwrl_206436096.seq -o /var/tmp/from_scwrl_206436096.pdb > /var/tmp/scwrl_206436096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_206436096.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 68 ; scwrl -i /var/tmp/to_scwrl_2104376521.pdb -s /var/tmp/to_scwrl_2104376521.seq -o /var/tmp/from_scwrl_2104376521.pdb > /var/tmp/scwrl_2104376521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2104376521.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 68 ; scwrl -i /var/tmp/to_scwrl_1592323449.pdb -s /var/tmp/to_scwrl_1592323449.seq -o /var/tmp/from_scwrl_1592323449.pdb > /var/tmp/scwrl_1592323449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592323449.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_258123400.pdb -s /var/tmp/to_scwrl_258123400.seq -o /var/tmp/from_scwrl_258123400.pdb > /var/tmp/scwrl_258123400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_258123400.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 49 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_992015348.pdb -s /var/tmp/to_scwrl_992015348.seq -o /var/tmp/from_scwrl_992015348.pdb > /var/tmp/scwrl_992015348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_992015348.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 49 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1008827631.pdb -s /var/tmp/to_scwrl_1008827631.seq -o /var/tmp/from_scwrl_1008827631.pdb > /var/tmp/scwrl_1008827631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1008827631.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_780259919.pdb -s /var/tmp/to_scwrl_780259919.seq -o /var/tmp/from_scwrl_780259919.pdb > /var/tmp/scwrl_780259919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_780259919.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 67 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_466539440.pdb -s /var/tmp/to_scwrl_466539440.seq -o /var/tmp/from_scwrl_466539440.pdb > /var/tmp/scwrl_466539440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466539440.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1850617208.pdb -s /var/tmp/to_scwrl_1850617208.seq -o /var/tmp/from_scwrl_1850617208.pdb > /var/tmp/scwrl_1850617208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1850617208.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1939056320.pdb -s /var/tmp/to_scwrl_1939056320.seq -o /var/tmp/from_scwrl_1939056320.pdb > /var/tmp/scwrl_1939056320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939056320.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_482380804.pdb -s /var/tmp/to_scwrl_482380804.seq -o /var/tmp/from_scwrl_482380804.pdb > /var/tmp/scwrl_482380804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_482380804.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 67 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_550123018.pdb -s /var/tmp/to_scwrl_550123018.seq -o /var/tmp/from_scwrl_550123018.pdb > /var/tmp/scwrl_550123018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550123018.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_437844552.pdb -s /var/tmp/to_scwrl_437844552.seq -o /var/tmp/from_scwrl_437844552.pdb > /var/tmp/scwrl_437844552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_437844552.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 T0349 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1443308393.pdb -s /var/tmp/to_scwrl_1443308393.seq -o /var/tmp/from_scwrl_1443308393.pdb > /var/tmp/scwrl_1443308393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1443308393.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 37 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1422076357.pdb -s /var/tmp/to_scwrl_1422076357.seq -o /var/tmp/from_scwrl_1422076357.pdb > /var/tmp/scwrl_1422076357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1422076357.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 # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_662224198.pdb -s /var/tmp/to_scwrl_662224198.seq -o /var/tmp/from_scwrl_662224198.pdb > /var/tmp/scwrl_662224198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662224198.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 37 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1433118669.pdb -s /var/tmp/to_scwrl_1433118669.seq -o /var/tmp/from_scwrl_1433118669.pdb > /var/tmp/scwrl_1433118669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1433118669.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 32 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_52689528.pdb -s /var/tmp/to_scwrl_52689528.seq -o /var/tmp/from_scwrl_52689528.pdb > /var/tmp/scwrl_52689528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_52689528.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 42 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_660145429.pdb -s /var/tmp/to_scwrl_660145429.seq -o /var/tmp/from_scwrl_660145429.pdb > /var/tmp/scwrl_660145429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660145429.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_260653231.pdb -s /var/tmp/to_scwrl_260653231.seq -o /var/tmp/from_scwrl_260653231.pdb > /var/tmp/scwrl_260653231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_260653231.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 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_55630397.pdb -s /var/tmp/to_scwrl_55630397.seq -o /var/tmp/from_scwrl_55630397.pdb > /var/tmp/scwrl_55630397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_55630397.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 43 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1596969721.pdb -s /var/tmp/to_scwrl_1596969721.seq -o /var/tmp/from_scwrl_1596969721.pdb > /var/tmp/scwrl_1596969721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1596969721.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 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_510602880.pdb -s /var/tmp/to_scwrl_510602880.seq -o /var/tmp/from_scwrl_510602880.pdb > /var/tmp/scwrl_510602880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510602880.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 46 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_930731834.pdb -s /var/tmp/to_scwrl_930731834.seq -o /var/tmp/from_scwrl_930731834.pdb > /var/tmp/scwrl_930731834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930731834.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 67 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_844322966.pdb -s /var/tmp/to_scwrl_844322966.seq -o /var/tmp/from_scwrl_844322966.pdb > /var/tmp/scwrl_844322966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844322966.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 22 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1180745818.pdb -s /var/tmp/to_scwrl_1180745818.seq -o /var/tmp/from_scwrl_1180745818.pdb > /var/tmp/scwrl_1180745818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180745818.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 50 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1371110085.pdb -s /var/tmp/to_scwrl_1371110085.seq -o /var/tmp/from_scwrl_1371110085.pdb > /var/tmp/scwrl_1371110085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371110085.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 73 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_931280719.pdb -s /var/tmp/to_scwrl_931280719.seq -o /var/tmp/from_scwrl_931280719.pdb > /var/tmp/scwrl_931280719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_931280719.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1312581337.pdb -s /var/tmp/to_scwrl_1312581337.seq -o /var/tmp/from_scwrl_1312581337.pdb > /var/tmp/scwrl_1312581337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1312581337.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 45 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1504479157.pdb -s /var/tmp/to_scwrl_1504479157.seq -o /var/tmp/from_scwrl_1504479157.pdb > /var/tmp/scwrl_1504479157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504479157.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 74 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_422702401.pdb -s /var/tmp/to_scwrl_422702401.seq -o /var/tmp/from_scwrl_422702401.pdb > /var/tmp/scwrl_422702401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422702401.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 71 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1519017434.pdb -s /var/tmp/to_scwrl_1519017434.seq -o /var/tmp/from_scwrl_1519017434.pdb > /var/tmp/scwrl_1519017434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1519017434.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 72 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1461372032.pdb -s /var/tmp/to_scwrl_1461372032.seq -o /var/tmp/from_scwrl_1461372032.pdb > /var/tmp/scwrl_1461372032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1461372032.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 72 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2015025850.pdb -s /var/tmp/to_scwrl_2015025850.seq -o /var/tmp/from_scwrl_2015025850.pdb > /var/tmp/scwrl_2015025850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2015025850.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 16 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1777140834.pdb -s /var/tmp/to_scwrl_1777140834.seq -o /var/tmp/from_scwrl_1777140834.pdb > /var/tmp/scwrl_1777140834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777140834.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 44 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_305903733.pdb -s /var/tmp/to_scwrl_305903733.seq -o /var/tmp/from_scwrl_305903733.pdb > /var/tmp/scwrl_305903733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305903733.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 53 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_876369834.pdb -s /var/tmp/to_scwrl_876369834.seq -o /var/tmp/from_scwrl_876369834.pdb > /var/tmp/scwrl_876369834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_876369834.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 34 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_409917106.pdb -s /var/tmp/to_scwrl_409917106.seq -o /var/tmp/from_scwrl_409917106.pdb > /var/tmp/scwrl_409917106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409917106.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 66 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_772443173.pdb -s /var/tmp/to_scwrl_772443173.seq -o /var/tmp/from_scwrl_772443173.pdb > /var/tmp/scwrl_772443173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_772443173.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_579503395.pdb -s /var/tmp/to_scwrl_579503395.seq -o /var/tmp/from_scwrl_579503395.pdb > /var/tmp/scwrl_579503395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579503395.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 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_201489780.pdb -s /var/tmp/to_scwrl_201489780.seq -o /var/tmp/from_scwrl_201489780.pdb > /var/tmp/scwrl_201489780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201489780.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1254823977.pdb -s /var/tmp/to_scwrl_1254823977.seq -o /var/tmp/from_scwrl_1254823977.pdb > /var/tmp/scwrl_1254823977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1254823977.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1129626412.pdb -s /var/tmp/to_scwrl_1129626412.seq -o /var/tmp/from_scwrl_1129626412.pdb > /var/tmp/scwrl_1129626412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1129626412.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 72 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_639334332.pdb -s /var/tmp/to_scwrl_639334332.seq -o /var/tmp/from_scwrl_639334332.pdb > /var/tmp/scwrl_639334332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639334332.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_550648724.pdb -s /var/tmp/to_scwrl_550648724.seq -o /var/tmp/from_scwrl_550648724.pdb > /var/tmp/scwrl_550648724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550648724.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_404219123.pdb -s /var/tmp/to_scwrl_404219123.seq -o /var/tmp/from_scwrl_404219123.pdb > /var/tmp/scwrl_404219123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404219123.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1301558529.pdb -s /var/tmp/to_scwrl_1301558529.seq -o /var/tmp/from_scwrl_1301558529.pdb > /var/tmp/scwrl_1301558529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1301558529.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1983767393.pdb -s /var/tmp/to_scwrl_1983767393.seq -o /var/tmp/from_scwrl_1983767393.pdb > /var/tmp/scwrl_1983767393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1983767393.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_456908651.pdb -s /var/tmp/to_scwrl_456908651.seq -o /var/tmp/from_scwrl_456908651.pdb > /var/tmp/scwrl_456908651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_456908651.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 T0349 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1961703958.pdb -s /var/tmp/to_scwrl_1961703958.seq -o /var/tmp/from_scwrl_1961703958.pdb > /var/tmp/scwrl_1961703958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961703958.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 T0349 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_96936978.pdb -s /var/tmp/to_scwrl_96936978.seq -o /var/tmp/from_scwrl_96936978.pdb > /var/tmp/scwrl_96936978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_96936978.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 T0349 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_512539049.pdb -s /var/tmp/to_scwrl_512539049.seq -o /var/tmp/from_scwrl_512539049.pdb > /var/tmp/scwrl_512539049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_512539049.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 T0349 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1411190032.pdb -s /var/tmp/to_scwrl_1411190032.seq -o /var/tmp/from_scwrl_1411190032.pdb > /var/tmp/scwrl_1411190032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411190032.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 T0349 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_607539858.pdb -s /var/tmp/to_scwrl_607539858.seq -o /var/tmp/from_scwrl_607539858.pdb > /var/tmp/scwrl_607539858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607539858.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 72 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1443270882.pdb -s /var/tmp/to_scwrl_1443270882.seq -o /var/tmp/from_scwrl_1443270882.pdb > /var/tmp/scwrl_1443270882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1443270882.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 T0349 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_108029352.pdb -s /var/tmp/to_scwrl_108029352.seq -o /var/tmp/from_scwrl_108029352.pdb > /var/tmp/scwrl_108029352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_108029352.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 T0349 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1788285676.pdb -s /var/tmp/to_scwrl_1788285676.seq -o /var/tmp/from_scwrl_1788285676.pdb > /var/tmp/scwrl_1788285676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1788285676.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 T0349 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_666897321.pdb -s /var/tmp/to_scwrl_666897321.seq -o /var/tmp/from_scwrl_666897321.pdb > /var/tmp/scwrl_666897321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_666897321.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 T0349 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1039310071.pdb -s /var/tmp/to_scwrl_1039310071.seq -o /var/tmp/from_scwrl_1039310071.pdb > /var/tmp/scwrl_1039310071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1039310071.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 67 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_953383367.pdb -s /var/tmp/to_scwrl_953383367.seq -o /var/tmp/from_scwrl_953383367.pdb > /var/tmp/scwrl_953383367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_953383367.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 45 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_23892832.pdb -s /var/tmp/to_scwrl_23892832.seq -o /var/tmp/from_scwrl_23892832.pdb > /var/tmp/scwrl_23892832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_23892832.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 67 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1462012471.pdb -s /var/tmp/to_scwrl_1462012471.seq -o /var/tmp/from_scwrl_1462012471.pdb > /var/tmp/scwrl_1462012471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1462012471.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 68 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_324917154.pdb -s /var/tmp/to_scwrl_324917154.seq -o /var/tmp/from_scwrl_324917154.pdb > /var/tmp/scwrl_324917154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324917154.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 29 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1485264864.pdb -s /var/tmp/to_scwrl_1485264864.seq -o /var/tmp/from_scwrl_1485264864.pdb > /var/tmp/scwrl_1485264864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485264864.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 67 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1329554675.pdb -s /var/tmp/to_scwrl_1329554675.seq -o /var/tmp/from_scwrl_1329554675.pdb > /var/tmp/scwrl_1329554675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329554675.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 68 ; scwrl -i /var/tmp/to_scwrl_2102057988.pdb -s /var/tmp/to_scwrl_2102057988.seq -o /var/tmp/from_scwrl_2102057988.pdb > /var/tmp/scwrl_2102057988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102057988.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 43 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1791168597.pdb -s /var/tmp/to_scwrl_1791168597.seq -o /var/tmp/from_scwrl_1791168597.pdb > /var/tmp/scwrl_1791168597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1791168597.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 5 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_58440862.pdb -s /var/tmp/to_scwrl_58440862.seq -o /var/tmp/from_scwrl_58440862.pdb > /var/tmp/scwrl_58440862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_58440862.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 69 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_364491448.pdb -s /var/tmp/to_scwrl_364491448.seq -o /var/tmp/from_scwrl_364491448.pdb > /var/tmp/scwrl_364491448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364491448.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_416128124.pdb -s /var/tmp/to_scwrl_416128124.seq -o /var/tmp/from_scwrl_416128124.pdb > /var/tmp/scwrl_416128124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_416128124.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 8 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_637944258.pdb -s /var/tmp/to_scwrl_637944258.seq -o /var/tmp/from_scwrl_637944258.pdb > /var/tmp/scwrl_637944258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_637944258.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_565981228.pdb -s /var/tmp/to_scwrl_565981228.seq -o /var/tmp/from_scwrl_565981228.pdb > /var/tmp/scwrl_565981228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_565981228.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 42 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1670952101.pdb -s /var/tmp/to_scwrl_1670952101.seq -o /var/tmp/from_scwrl_1670952101.pdb > /var/tmp/scwrl_1670952101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670952101.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 60 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1767570670.pdb -s /var/tmp/to_scwrl_1767570670.seq -o /var/tmp/from_scwrl_1767570670.pdb > /var/tmp/scwrl_1767570670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767570670.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 T0349 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1205315559.pdb -s /var/tmp/to_scwrl_1205315559.seq -o /var/tmp/from_scwrl_1205315559.pdb > /var/tmp/scwrl_1205315559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1205315559.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 T0349 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_74117178.pdb -s /var/tmp/to_scwrl_74117178.seq -o /var/tmp/from_scwrl_74117178.pdb > /var/tmp/scwrl_74117178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_74117178.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 T0349 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_24306147.pdb -s /var/tmp/to_scwrl_24306147.seq -o /var/tmp/from_scwrl_24306147.pdb > /var/tmp/scwrl_24306147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24306147.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 T0349 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_359390442.pdb -s /var/tmp/to_scwrl_359390442.seq -o /var/tmp/from_scwrl_359390442.pdb > /var/tmp/scwrl_359390442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_359390442.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 T0349 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2057884572.pdb -s /var/tmp/to_scwrl_2057884572.seq -o /var/tmp/from_scwrl_2057884572.pdb > /var/tmp/scwrl_2057884572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057884572.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 T0349 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_481214798.pdb -s /var/tmp/to_scwrl_481214798.seq -o /var/tmp/from_scwrl_481214798.pdb > /var/tmp/scwrl_481214798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_481214798.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 T0349 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_173610754.pdb -s /var/tmp/to_scwrl_173610754.seq -o /var/tmp/from_scwrl_173610754.pdb > /var/tmp/scwrl_173610754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_173610754.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 T0349 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_7337903.pdb -s /var/tmp/to_scwrl_7337903.seq -o /var/tmp/from_scwrl_7337903.pdb > /var/tmp/scwrl_7337903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_7337903.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 T0349 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_993753847.pdb -s /var/tmp/to_scwrl_993753847.seq -o /var/tmp/from_scwrl_993753847.pdb > /var/tmp/scwrl_993753847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993753847.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 T0349 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1584800786.pdb -s /var/tmp/to_scwrl_1584800786.seq -o /var/tmp/from_scwrl_1584800786.pdb > /var/tmp/scwrl_1584800786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1584800786.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 T0349 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_614877761.pdb -s /var/tmp/to_scwrl_614877761.seq -o /var/tmp/from_scwrl_614877761.pdb > /var/tmp/scwrl_614877761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_614877761.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 50 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_289541083.pdb -s /var/tmp/to_scwrl_289541083.seq -o /var/tmp/from_scwrl_289541083.pdb > /var/tmp/scwrl_289541083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289541083.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 68 ; scwrl -i /var/tmp/to_scwrl_1692830138.pdb -s /var/tmp/to_scwrl_1692830138.seq -o /var/tmp/from_scwrl_1692830138.pdb > /var/tmp/scwrl_1692830138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692830138.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 70 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_255679790.pdb -s /var/tmp/to_scwrl_255679790.seq -o /var/tmp/from_scwrl_255679790.pdb > /var/tmp/scwrl_255679790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255679790.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 70 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_956438404.pdb -s /var/tmp/to_scwrl_956438404.seq -o /var/tmp/from_scwrl_956438404.pdb > /var/tmp/scwrl_956438404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956438404.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 46 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_584656563.pdb -s /var/tmp/to_scwrl_584656563.seq -o /var/tmp/from_scwrl_584656563.pdb > /var/tmp/scwrl_584656563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_584656563.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 74 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1209063156.pdb -s /var/tmp/to_scwrl_1209063156.seq -o /var/tmp/from_scwrl_1209063156.pdb > /var/tmp/scwrl_1209063156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209063156.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 T0349 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_980331236.pdb -s /var/tmp/to_scwrl_980331236.seq -o /var/tmp/from_scwrl_980331236.pdb > /var/tmp/scwrl_980331236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_980331236.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 T0349 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2046669034.pdb -s /var/tmp/to_scwrl_2046669034.seq -o /var/tmp/from_scwrl_2046669034.pdb > /var/tmp/scwrl_2046669034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2046669034.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 T0349 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1533980311.pdb -s /var/tmp/to_scwrl_1533980311.seq -o /var/tmp/from_scwrl_1533980311.pdb > /var/tmp/scwrl_1533980311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1533980311.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 T0349 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_318112453.pdb -s /var/tmp/to_scwrl_318112453.seq -o /var/tmp/from_scwrl_318112453.pdb > /var/tmp/scwrl_318112453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_318112453.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1228740062.pdb -s /var/tmp/to_scwrl_1228740062.seq -o /var/tmp/from_scwrl_1228740062.pdb > /var/tmp/scwrl_1228740062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228740062.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 T0349 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1488554652.pdb -s /var/tmp/to_scwrl_1488554652.seq -o /var/tmp/from_scwrl_1488554652.pdb > /var/tmp/scwrl_1488554652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1488554652.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 61 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2109281051.pdb -s /var/tmp/to_scwrl_2109281051.seq -o /var/tmp/from_scwrl_2109281051.pdb > /var/tmp/scwrl_2109281051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109281051.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 47 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1287180925.pdb -s /var/tmp/to_scwrl_1287180925.seq -o /var/tmp/from_scwrl_1287180925.pdb > /var/tmp/scwrl_1287180925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287180925.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 7 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1853046100.pdb -s /var/tmp/to_scwrl_1853046100.seq -o /var/tmp/from_scwrl_1853046100.pdb > /var/tmp/scwrl_1853046100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853046100.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 64 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_377925528.pdb -s /var/tmp/to_scwrl_377925528.seq -o /var/tmp/from_scwrl_377925528.pdb > /var/tmp/scwrl_377925528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377925528.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 46 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1925125183.pdb -s /var/tmp/to_scwrl_1925125183.seq -o /var/tmp/from_scwrl_1925125183.pdb > /var/tmp/scwrl_1925125183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925125183.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 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_271543681.pdb -s /var/tmp/to_scwrl_271543681.seq -o /var/tmp/from_scwrl_271543681.pdb > /var/tmp/scwrl_271543681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271543681.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 74 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2048877629.pdb -s /var/tmp/to_scwrl_2048877629.seq -o /var/tmp/from_scwrl_2048877629.pdb > /var/tmp/scwrl_2048877629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048877629.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 T0349 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 68 ; scwrl -i /var/tmp/to_scwrl_1545212206.pdb -s /var/tmp/to_scwrl_1545212206.seq -o /var/tmp/from_scwrl_1545212206.pdb > /var/tmp/scwrl_1545212206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1545212206.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 72 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1476859240.pdb -s /var/tmp/to_scwrl_1476859240.seq -o /var/tmp/from_scwrl_1476859240.pdb > /var/tmp/scwrl_1476859240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1476859240.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 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2122994807.pdb -s /var/tmp/to_scwrl_2122994807.seq -o /var/tmp/from_scwrl_2122994807.pdb > /var/tmp/scwrl_2122994807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122994807.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1569518353.pdb -s /var/tmp/to_scwrl_1569518353.seq -o /var/tmp/from_scwrl_1569518353.pdb > /var/tmp/scwrl_1569518353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569518353.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0349 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1836249683.pdb -s /var/tmp/to_scwrl_1836249683.seq -o /var/tmp/from_scwrl_1836249683.pdb > /var/tmp/scwrl_1836249683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1836249683.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 T0349 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2033395732.pdb -s /var/tmp/to_scwrl_2033395732.seq -o /var/tmp/from_scwrl_2033395732.pdb > /var/tmp/scwrl_2033395732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033395732.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 T0349 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2050733152.pdb -s /var/tmp/to_scwrl_2050733152.seq -o /var/tmp/from_scwrl_2050733152.pdb > /var/tmp/scwrl_2050733152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050733152.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-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 68 ; scwrl -i /var/tmp/to_scwrl_2009860437.pdb -s /var/tmp/to_scwrl_2009860437.seq -o /var/tmp/from_scwrl_2009860437.pdb > /var/tmp/scwrl_2009860437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2009860437.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 68 ; scwrl -i /var/tmp/to_scwrl_2040733635.pdb -s /var/tmp/to_scwrl_2040733635.seq -o /var/tmp/from_scwrl_2040733635.pdb > /var/tmp/scwrl_2040733635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040733635.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_897003352.pdb -s /var/tmp/to_scwrl_897003352.seq -o /var/tmp/from_scwrl_897003352.pdb > /var/tmp/scwrl_897003352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_897003352.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1447177576.pdb -s /var/tmp/to_scwrl_1447177576.seq -o /var/tmp/from_scwrl_1447177576.pdb > /var/tmp/scwrl_1447177576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1447177576.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 70 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_508127749.pdb -s /var/tmp/to_scwrl_508127749.seq -o /var/tmp/from_scwrl_508127749.pdb > /var/tmp/scwrl_508127749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508127749.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 T0349 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1186544434.pdb -s /var/tmp/to_scwrl_1186544434.seq -o /var/tmp/from_scwrl_1186544434.pdb > /var/tmp/scwrl_1186544434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1186544434.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 T0349 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_992524069.pdb -s /var/tmp/to_scwrl_992524069.seq -o /var/tmp/from_scwrl_992524069.pdb > /var/tmp/scwrl_992524069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_992524069.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 T0349 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_763807539.pdb -s /var/tmp/to_scwrl_763807539.seq -o /var/tmp/from_scwrl_763807539.pdb > /var/tmp/scwrl_763807539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_763807539.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 T0349 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_2142982839.pdb -s /var/tmp/to_scwrl_2142982839.seq -o /var/tmp/from_scwrl_2142982839.pdb > /var/tmp/scwrl_2142982839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2142982839.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 T0349 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1577180631.pdb -s /var/tmp/to_scwrl_1577180631.seq -o /var/tmp/from_scwrl_1577180631.pdb > /var/tmp/scwrl_1577180631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1577180631.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 T0349 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_1972870696.pdb -s /var/tmp/to_scwrl_1972870696.seq -o /var/tmp/from_scwrl_1972870696.pdb > /var/tmp/scwrl_1972870696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1972870696.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 68 ; scwrl -i /var/tmp/to_scwrl_975830428.pdb -s /var/tmp/to_scwrl_975830428.seq -o /var/tmp/from_scwrl_975830428.pdb > /var/tmp/scwrl_975830428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975830428.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 23.221 sec, elapsed time= 278.146 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 451.426 real_cost = 82.054 shub_TS1 costs 453.930 real_cost = 86.679 nFOLD_TS5-scwrl costs 528.307 real_cost = 322.416 nFOLD_TS5 costs 3501.368 real_cost = 356.377 nFOLD_TS4-scwrl costs 521.737 real_cost = 220.964 nFOLD_TS4 costs 6549.679 real_cost = 254.020 nFOLD_TS3-scwrl costs 588.890 real_cost = 347.399 nFOLD_TS3 costs 13186.437 real_cost = 359.039 nFOLD_TS2-scwrl costs 500.766 real_cost = 339.962 nFOLD_TS2 costs 2923.255 real_cost = 361.520 nFOLD_TS1-scwrl costs 545.150 real_cost = 87.917 nFOLD_TS1 costs 9745.169 real_cost = 107.569 mGen-3D_TS1-scwrl costs 499.728 real_cost = 47.158 mGen-3D_TS1 costs 10323.665 real_cost = 68.035 keasar-server_TS5-scwrl costs 419.285 real_cost = 223.317 keasar-server_TS5 costs 423.019 real_cost = 237.823 keasar-server_TS4-scwrl costs 480.983 real_cost = 209.030 keasar-server_TS4 costs 482.549 real_cost = 223.217 keasar-server_TS3-scwrl costs 486.028 real_cost = 207.879 keasar-server_TS3 costs 489.926 real_cost = 221.170 keasar-server_TS2-scwrl costs 431.998 real_cost = 181.429 keasar-server_TS2 costs 433.437 real_cost = 199.388 keasar-server_TS1-scwrl costs 423.074 real_cost = 222.070 keasar-server_TS1 costs 427.583 real_cost = 234.762 karypis.srv_TS4-scwrl costs 501.991 real_cost = 248.587 karypis.srv_TS4 costs 493.597 real_cost = 248.306 karypis.srv_TS3-scwrl costs 435.092 real_cost = 28.157 karypis.srv_TS3 costs 428.276 real_cost = 25.183 karypis.srv_TS2-scwrl costs 485.823 real_cost = 52.961 karypis.srv_TS2 costs 481.584 real_cost = 46.841 karypis.srv_TS1-scwrl costs 462.380 real_cost = 94.969 karypis.srv_TS1 costs 455.191 real_cost = 87.248 karypis.srv.4_TS5-scwrl costs 585.702 real_cost = 312.413 karypis.srv.4_TS5 costs 588.539 real_cost = 312.104 karypis.srv.4_TS4-scwrl costs 551.810 real_cost = 292.695 karypis.srv.4_TS4 costs 551.810 real_cost = 292.695 karypis.srv.4_TS3-scwrl costs 531.889 real_cost = 222.526 karypis.srv.4_TS3 costs 532.690 real_cost = 224.727 karypis.srv.4_TS2-scwrl costs 529.994 real_cost = 251.583 karypis.srv.4_TS2 costs 529.994 real_cost = 251.583 karypis.srv.4_TS1-scwrl costs 527.253 real_cost = 218.803 karypis.srv.4_TS1 costs 528.663 real_cost = 217.520 karypis.srv.2_TS5-scwrl costs 496.990 real_cost = 277.878 karypis.srv.2_TS5 costs 496.990 real_cost = 277.878 karypis.srv.2_TS4-scwrl costs 453.821 real_cost = 193.299 karypis.srv.2_TS4 costs 453.821 real_cost = 193.299 karypis.srv.2_TS3-scwrl costs 479.670 real_cost = 240.868 karypis.srv.2_TS3 costs 479.670 real_cost = 240.868 karypis.srv.2_TS2-scwrl costs 468.586 real_cost = 225.404 karypis.srv.2_TS2 costs 467.597 real_cost = 225.431 karypis.srv.2_TS1-scwrl costs 447.994 real_cost = 260.680 karypis.srv.2_TS1 costs 447.994 real_cost = 260.680 forecast-s_AL5-scwrl costs 562.536 real_cost = 228.812 forecast-s_AL5 costs 20074.727 real_cost = 257.123 forecast-s_AL4-scwrl costs 527.191 real_cost = 283.406 forecast-s_AL4 costs 7972.367 real_cost = 324.762 forecast-s_AL3-scwrl costs 657.056 real_cost = 249.263 forecast-s_AL3 costs 10181.246 real_cost = 269.247 forecast-s_AL2-scwrl costs 562.207 real_cost = 352.133 forecast-s_AL2 costs 27480.006 real_cost = 385.188 forecast-s_AL1-scwrl costs 639.466 real_cost = 237.199 forecast-s_AL1 costs 11740.115 real_cost = 260.499 beautshotbase_TS1-scwrl costs 500.683 real_cost = 76.519 beautshotbase_TS1 costs 488.994 real_cost = 65.852 beautshot_TS1-scwrl costs 463.822 real_cost = 44.987 beautshot_TS1 costs 459.478 real_cost = 48.485 Zhang-Server_TS5-scwrl costs 404.519 real_cost = -13.468 Zhang-Server_TS5 costs 404.519 real_cost = -13.468 Zhang-Server_TS4-scwrl costs 405.225 real_cost = -3.366 Zhang-Server_TS4 costs 405.225 real_cost = -3.366 Zhang-Server_TS3-scwrl costs 446.173 real_cost = 25.574 Zhang-Server_TS3 costs 446.173 real_cost = 25.574 Zhang-Server_TS2-scwrl costs 400.180 real_cost = -6.109 Zhang-Server_TS2 costs 399.876 real_cost = -12.413 Zhang-Server_TS1-scwrl costs 387.278 real_cost = -21.167 Zhang-Server_TS1 costs 387.278 real_cost = -21.167 UNI-EID_sfst_AL5-scwrl costs 635.669 real_cost = 221.255 UNI-EID_sfst_AL5 costs 12624.555 real_cost = 247.034 UNI-EID_sfst_AL4-scwrl costs 613.635 real_cost = 148.367 UNI-EID_sfst_AL4 costs 57594.874 real_cost = 169.099 UNI-EID_sfst_AL3-scwrl costs 680.944 real_cost = 227.575 UNI-EID_sfst_AL3 costs 34395.963 real_cost = 237.199 UNI-EID_sfst_AL2-scwrl costs 660.343 real_cost = 135.693 UNI-EID_sfst_AL2 costs 15824.074 real_cost = 144.454 UNI-EID_sfst_AL1-scwrl costs 546.875 real_cost = -52.392 UNI-EID_sfst_AL1 costs 82170.285 real_cost = -23.640 UNI-EID_expm_TS1-scwrl costs 628.007 real_cost = -1.037 UNI-EID_expm_TS1 costs 10229.601 real_cost = 26.561 UNI-EID_bnmx_TS5-scwrl costs 589.464 real_cost = 206.450 UNI-EID_bnmx_TS5 costs 13947.333 real_cost = 241.693 UNI-EID_bnmx_TS4-scwrl costs 579.688 real_cost = 72.341 UNI-EID_bnmx_TS4 costs 16283.415 real_cost = 94.754 UNI-EID_bnmx_TS3-scwrl costs 542.236 real_cost = 115.343 UNI-EID_bnmx_TS3 costs 59168.035 real_cost = 135.600 UNI-EID_bnmx_TS2-scwrl costs 666.791 real_cost = 228.458 UNI-EID_bnmx_TS2 costs 34832.035 real_cost = 233.059 UNI-EID_bnmx_TS1-scwrl costs 548.696 real_cost = -18.263 UNI-EID_bnmx_TS1 costs 91258.050 real_cost = 19.166 SPARKS2_TS5-scwrl costs 431.750 real_cost = 163.638 SPARKS2_TS5 costs 439.092 real_cost = 160.457 SPARKS2_TS4-scwrl costs 478.210 real_cost = 183.441 SPARKS2_TS4 costs 484.617 real_cost = 202.226 SPARKS2_TS3-scwrl costs 452.991 real_cost = 224.491 SPARKS2_TS3 costs 465.481 real_cost = 228.587 SPARKS2_TS2-scwrl costs 378.394 real_cost = 70.584 SPARKS2_TS2 costs 383.837 real_cost = 71.715 SPARKS2_TS1-scwrl costs 419.691 real_cost = 81.409 SPARKS2_TS1 costs 425.391 real_cost = 91.233 SP4_TS5-scwrl costs 435.252 real_cost = 156.543 SP4_TS5 costs 446.570 real_cost = 168.038 SP4_TS4-scwrl costs 419.274 real_cost = 170.228 SP4_TS4 costs 426.283 real_cost = 182.045 SP4_TS3-scwrl costs 442.630 real_cost = 99.092 SP4_TS3 costs 453.793 real_cost = 113.696 SP4_TS2-scwrl costs 437.374 real_cost = 104.698 SP4_TS2 costs 443.612 real_cost = 103.013 SP4_TS1-scwrl costs 409.677 real_cost = 31.738 SP4_TS1 costs 411.400 real_cost = 36.515 SP3_TS5-scwrl costs 362.022 real_cost = 63.037 SP3_TS5 costs 371.628 real_cost = 68.545 SP3_TS4-scwrl costs 450.735 real_cost = 166.039 SP3_TS4 costs 460.254 real_cost = 164.708 SP3_TS3-scwrl costs 444.161 real_cost = 80.672 SP3_TS3 costs 443.389 real_cost = 72.007 SP3_TS2-scwrl costs 393.268 real_cost = 50.158 SP3_TS2 costs 401.176 real_cost = 60.215 SP3_TS1-scwrl costs 409.677 real_cost = 31.738 SP3_TS1 costs 411.400 real_cost = 36.515 SAM_T06_server_TS5-scwrl costs 614.850 real_cost = 240.351 SAM_T06_server_TS5 costs 568.156 real_cost = 217.411 SAM_T06_server_TS4-scwrl costs 601.848 real_cost = 107.941 SAM_T06_server_TS4 costs 569.082 real_cost = 91.363 SAM_T06_server_TS3-scwrl costs 511.350 real_cost = 55.199 SAM_T06_server_TS3 costs 487.132 real_cost = 44.897 SAM_T06_server_TS2-scwrl costs 557.736 real_cost = 34.747 SAM_T06_server_TS2 costs 534.301 real_cost = 38.799 SAM_T06_server_TS1-scwrl costs 344.680 real_cost = 58.119 SAM_T06_server_TS1 costs 339.432 real_cost = 58.949 SAM-T02_AL5-scwrl costs 625.606 real_cost = 71.583 SAM-T02_AL5 costs 17166.750 real_cost = 81.310 SAM-T02_AL4-scwrl costs 629.404 real_cost = 235.011 SAM-T02_AL4 costs 63475.193 real_cost = 253.425 SAM-T02_AL3-scwrl costs 632.902 real_cost = 47.662 SAM-T02_AL3 costs 83123.402 real_cost = 62.844 SAM-T02_AL2-scwrl costs 559.283 real_cost = 132.066 SAM-T02_AL2 costs 5250.286 real_cost = 160.366 SAM-T02_AL1-scwrl costs 567.369 real_cost = 109.963 SAM-T02_AL1 costs 39137.855 real_cost = 145.491 ROKKY_TS5-scwrl costs 386.309 real_cost = 104.816 ROKKY_TS5 costs 6830.481 real_cost = 153.675 ROKKY_TS4-scwrl costs 426.034 real_cost = 127.944 ROKKY_TS4 costs 6638.142 real_cost = 182.626 ROKKY_TS3-scwrl costs 399.815 real_cost = 136.198 ROKKY_TS3 costs 6504.188 real_cost = 186.800 ROKKY_TS2-scwrl costs 393.600 real_cost = 94.967 ROKKY_TS2 costs 6074.105 real_cost = 143.222 ROKKY_TS1-scwrl costs 390.209 real_cost = 98.719 ROKKY_TS1 costs 5768.384 real_cost = 149.373 ROBETTA_TS5-scwrl costs 413.158 real_cost = 19.716 ROBETTA_TS5 costs 401.779 real_cost = 29.688 ROBETTA_TS4-scwrl costs 400.911 real_cost = 173.235 ROBETTA_TS4 costs 396.203 real_cost = 169.510 ROBETTA_TS3-scwrl costs 381.741 real_cost = -1.044 ROBETTA_TS3 costs 383.703 real_cost = -2.662 ROBETTA_TS2-scwrl costs 387.685 real_cost = 180.158 ROBETTA_TS2 costs 384.891 real_cost = 185.991 ROBETTA_TS1-scwrl costs 390.613 real_cost = 6.892 ROBETTA_TS1 costs 389.953 real_cost = 13.515 RAPTOR_TS5-scwrl costs 413.284 real_cost = 105.832 RAPTOR_TS5 costs 420.704 real_cost = 114.016 RAPTOR_TS4-scwrl costs 410.258 real_cost = 67.533 RAPTOR_TS4 costs 414.557 real_cost = 62.933 RAPTOR_TS3-scwrl costs 425.111 real_cost = 62.682 RAPTOR_TS3 costs 436.830 real_cost = 75.298 RAPTOR_TS2-scwrl costs 412.536 real_cost = 120.057 RAPTOR_TS2 costs 427.894 real_cost = 117.914 RAPTOR_TS1-scwrl costs 420.571 real_cost = 79.448 RAPTOR_TS1 costs 429.909 real_cost = 85.778 RAPTORESS_TS5-scwrl costs 391.228 real_cost = 105.159 RAPTORESS_TS5 costs 399.705 real_cost = 109.319 RAPTORESS_TS4-scwrl costs 417.229 real_cost = 94.176 RAPTORESS_TS4 costs 417.062 real_cost = 104.661 RAPTORESS_TS3-scwrl costs 405.562 real_cost = 98.050 RAPTORESS_TS3 costs 417.356 real_cost = 99.469 RAPTORESS_TS2-scwrl costs 431.946 real_cost = 108.838 RAPTORESS_TS2 costs 438.718 real_cost = 109.877 RAPTORESS_TS1-scwrl costs 415.960 real_cost = 161.963 RAPTORESS_TS1 costs 426.942 real_cost = 159.885 RAPTOR-ACE_TS5-scwrl costs 423.516 real_cost = 95.651 RAPTOR-ACE_TS5 costs 429.733 real_cost = 107.539 RAPTOR-ACE_TS4-scwrl costs 423.516 real_cost = 95.651 RAPTOR-ACE_TS4 costs 429.733 real_cost = 107.539 RAPTOR-ACE_TS3-scwrl costs 452.713 real_cost = 63.287 RAPTOR-ACE_TS3 costs 454.936 real_cost = 68.319 RAPTOR-ACE_TS2-scwrl costs 397.758 real_cost = -27.339 RAPTOR-ACE_TS2 costs 408.189 real_cost = -25.866 RAPTOR-ACE_TS1-scwrl costs 426.822 real_cost = 35.743 RAPTOR-ACE_TS1 costs 437.101 real_cost = 41.917 Pmodeller6_TS5-scwrl costs 362.952 real_cost = -36.412 Pmodeller6_TS5 costs 362.981 real_cost = -34.530 Pmodeller6_TS4-scwrl costs 365.032 real_cost = -8.677 Pmodeller6_TS4 costs 363.288 real_cost = -8.061 Pmodeller6_TS3-scwrl costs 390.613 real_cost = 6.892 Pmodeller6_TS3 costs 389.953 real_cost = 13.515 Pmodeller6_TS2-scwrl costs 413.158 real_cost = 19.716 Pmodeller6_TS2 costs 401.779 real_cost = 29.688 Pmodeller6_TS1-scwrl costs 381.741 real_cost = -1.044 Pmodeller6_TS1 costs 383.703 real_cost = -2.662 Phyre-2_TS5-scwrl costs 392.671 real_cost = 172.642 Phyre-2_TS5 costs 408.163 real_cost = 175.284 Phyre-2_TS4-scwrl costs 396.086 real_cost = 158.470 Phyre-2_TS4 costs 412.393 real_cost = 150.923 Phyre-2_TS3-scwrl costs 402.340 real_cost = 160.065 Phyre-2_TS3 costs 426.887 real_cost = 156.381 Phyre-2_TS2-scwrl costs 402.465 real_cost = 181.857 Phyre-2_TS2 costs 428.669 real_cost = 181.366 Phyre-2_TS1-scwrl costs 410.618 real_cost = 172.380 Phyre-2_TS1 costs 425.211 real_cost = 173.027 Phyre-1_TS1-scwrl costs 592.267 real_cost = 185.875 Phyre-1_TS1 costs 581.220 real_cost = 169.770 Pcons6_TS5-scwrl costs 362.952 real_cost = -36.412 Pcons6_TS5 costs 362.981 real_cost = -34.530 Pcons6_TS4-scwrl costs 423.306 real_cost = 8.248 Pcons6_TS4 costs 423.306 real_cost = 8.248 Pcons6_TS3-scwrl costs 430.977 real_cost = -73.383 Pcons6_TS3 costs 430.573 real_cost = -74.113 Pcons6_TS2-scwrl costs 430.977 real_cost = -73.383 Pcons6_TS2 costs 430.573 real_cost = -74.113 Pcons6_TS1-scwrl costs 430.977 real_cost = -73.383 Pcons6_TS1 costs 430.573 real_cost = -74.113 PROTINFO_TS5-scwrl costs 399.702 real_cost = -15.907 PROTINFO_TS5 costs 400.382 real_cost = -16.797 PROTINFO_TS4-scwrl costs 399.225 real_cost = 156.311 PROTINFO_TS4 costs 405.216 real_cost = 152.536 PROTINFO_TS3-scwrl costs 438.227 real_cost = 95.911 PROTINFO_TS3 costs 440.276 real_cost = 89.286 PROTINFO_TS2-scwrl costs 418.653 real_cost = 83.094 PROTINFO_TS2 costs 424.963 real_cost = 75.843 PROTINFO_TS1-scwrl costs 412.642 real_cost = 164.506 PROTINFO_TS1 costs 418.406 real_cost = 155.309 PROTINFO-AB_TS5-scwrl costs 415.798 real_cost = 160.763 PROTINFO-AB_TS5 costs 422.925 real_cost = 180.734 PROTINFO-AB_TS4-scwrl costs 408.237 real_cost = 175.234 PROTINFO-AB_TS4 costs 413.331 real_cost = 175.785 PROTINFO-AB_TS3-scwrl costs 412.425 real_cost = 175.745 PROTINFO-AB_TS3 costs 418.958 real_cost = 182.511 PROTINFO-AB_TS2-scwrl costs 416.748 real_cost = 181.116 PROTINFO-AB_TS2 costs 417.900 real_cost = 198.771 PROTINFO-AB_TS1-scwrl costs 408.081 real_cost = 178.316 PROTINFO-AB_TS1 costs 417.828 real_cost = 181.908 POMYSL_TS5-scwrl costs 540.321 real_cost = 286.345 POMYSL_TS5 costs 546.227 real_cost = 287.304 POMYSL_TS4-scwrl costs 500.887 real_cost = 282.841 POMYSL_TS4 costs 513.220 real_cost = 290.298 POMYSL_TS3-scwrl costs 526.396 real_cost = 301.646 POMYSL_TS3 costs 542.696 real_cost = 301.517 POMYSL_TS2-scwrl costs 538.739 real_cost = 254.063 POMYSL_TS2 costs 549.086 real_cost = 273.055 POMYSL_TS1-scwrl costs 506.551 real_cost = 229.136 POMYSL_TS1 costs 518.255 real_cost = 260.924 NN_PUT_lab_TS1-scwrl costs 452.242 real_cost = 125.747 NN_PUT_lab_TS1 costs 5400.450 real_cost = 172.493 MetaTasser_TS5-scwrl costs 479.498 real_cost = -7.967 MetaTasser_TS5 costs 512.394 real_cost = -16.104 MetaTasser_TS4-scwrl costs 470.546 real_cost = -25.479 MetaTasser_TS4 costs 491.094 real_cost = -15.679 MetaTasser_TS3-scwrl costs 484.783 real_cost = -13.558 MetaTasser_TS3 costs 507.793 real_cost = -16.692 MetaTasser_TS2-scwrl costs 497.134 real_cost = 24.724 MetaTasser_TS2 costs 518.259 real_cost = 35.818 MetaTasser_TS1-scwrl costs 486.132 real_cost = 2.121 MetaTasser_TS1 costs 504.519 real_cost = 0.883 Ma-OPUS-server_TS5-scwrl costs 454.901 real_cost = 238.715 Ma-OPUS-server_TS5 costs 463.286 real_cost = 243.714 Ma-OPUS-server_TS4-scwrl costs 405.150 real_cost = 39.686 Ma-OPUS-server_TS4 costs 411.891 real_cost = 46.567 Ma-OPUS-server_TS3-scwrl costs 420.462 real_cost = 55.116 Ma-OPUS-server_TS3 costs 429.817 real_cost = 58.935 Ma-OPUS-server_TS2-scwrl costs 413.913 real_cost = 32.593 Ma-OPUS-server_TS2 costs 422.123 real_cost = 38.964 Ma-OPUS-server_TS1-scwrl costs 406.345 real_cost = 168.063 Ma-OPUS-server_TS1 costs 415.155 real_cost = 171.597 Ma-OPUS-server2_TS5-scwrl costs 420.462 real_cost = 55.116 Ma-OPUS-server2_TS5 costs 429.817 real_cost = 58.935 Ma-OPUS-server2_TS4-scwrl costs 413.913 real_cost = 32.593 Ma-OPUS-server2_TS4 costs 422.123 real_cost = 38.964 Ma-OPUS-server2_TS3-scwrl costs 415.355 real_cost = 36.646 Ma-OPUS-server2_TS3 costs 421.561 real_cost = 40.895 Ma-OPUS-server2_TS2-scwrl costs 440.522 real_cost = 174.920 Ma-OPUS-server2_TS2 costs 453.977 real_cost = 167.121 Ma-OPUS-server2_TS1-scwrl costs 413.464 real_cost = 52.369 Ma-OPUS-server2_TS1 costs 416.883 real_cost = 51.377 MIG_FROST_AL1-scwrl costs 610.745 real_cost = 273.484 MIG_FROST_AL1 costs 31094.192 real_cost = 279.691 LOOPP_TS5-scwrl costs 549.422 real_cost = 207.340 LOOPP_TS5 costs 544.694 real_cost = 204.161 LOOPP_TS4-scwrl costs 586.283 real_cost = 246.901 LOOPP_TS4 costs 587.880 real_cost = 245.630 LOOPP_TS3-scwrl costs 502.695 real_cost = 110.896 LOOPP_TS3 costs 500.654 real_cost = 117.450 LOOPP_TS2-scwrl costs 451.673 real_cost = 83.408 LOOPP_TS2 costs 444.942 real_cost = 86.835 LOOPP_TS1-scwrl costs 539.289 real_cost = 159.193 LOOPP_TS1 costs 533.898 real_cost = 158.653 Huber-Torda-Server_TS5-scwrl costs 557.752 real_cost = 133.698 Huber-Torda-Server_TS5 costs 9791.164 real_cost = 152.445 Huber-Torda-Server_TS4-scwrl costs 538.777 real_cost = 295.335 Huber-Torda-Server_TS4 costs 8478.953 real_cost = 301.176 Huber-Torda-Server_TS3-scwrl costs 507.013 real_cost = 230.999 Huber-Torda-Server_TS3 costs 70907.009 real_cost = 260.076 Huber-Torda-Server_TS2-scwrl costs 484.685 real_cost = 266.217 Huber-Torda-Server_TS2 costs 13506.057 real_cost = 272.799 Huber-Torda-Server_TS1-scwrl costs 499.981 real_cost = 190.926 Huber-Torda-Server_TS1 costs 4789.976 real_cost = 216.136 HHpred3_TS1-scwrl costs 392.812 real_cost = -26.722 HHpred3_TS1 costs 406.793 real_cost = -22.805 HHpred2_TS1-scwrl costs 398.422 real_cost = -49.065 HHpred2_TS1 costs 409.682 real_cost = -46.992 HHpred1_TS1-scwrl costs 398.422 real_cost = -49.065 HHpred1_TS1 costs 409.682 real_cost = -46.992 GeneSilicoMetaServer_TS5-scwrl costs 466.484 real_cost = 95.919 GeneSilicoMetaServer_TS5 costs 474.794 real_cost = 101.593 GeneSilicoMetaServer_TS4-scwrl costs 425.513 real_cost = 25.197 GeneSilicoMetaServer_TS4 costs 435.451 real_cost = 28.919 GeneSilicoMetaServer_TS3-scwrl costs 412.482 real_cost = 28.477 GeneSilicoMetaServer_TS3 costs 423.729 real_cost = 25.009 GeneSilicoMetaServer_TS2-scwrl costs 423.342 real_cost = -15.663 GeneSilicoMetaServer_TS2 costs 426.383 real_cost = -12.711 GeneSilicoMetaServer_TS1-scwrl costs 397.884 real_cost = -15.785 GeneSilicoMetaServer_TS1 costs 410.922 real_cost = -19.531 Frankenstein_TS2-scwrl costs 459.730 real_cost = 290.605 Frankenstein_TS2 costs 471.723 real_cost = 284.870 Frankenstein_TS1-scwrl costs 453.944 real_cost = 202.448 Frankenstein_TS1 costs 458.397 real_cost = 215.171 FUNCTION_TS5-scwrl costs 540.881 real_cost = 124.040 FUNCTION_TS5 costs 542.979 real_cost = 127.034 FUNCTION_TS4-scwrl costs 495.956 real_cost = 104.823 FUNCTION_TS4 costs 499.931 real_cost = 100.289 FUNCTION_TS3-scwrl costs 490.621 real_cost = 97.240 FUNCTION_TS3 costs 498.083 real_cost = 99.755 FUNCTION_TS2-scwrl costs 498.826 real_cost = 192.261 FUNCTION_TS2 costs 501.244 real_cost = 196.858 FUNCTION_TS1-scwrl costs 490.218 real_cost = 95.201 FUNCTION_TS1 costs 499.513 real_cost = 89.677 FUGUE_AL5-scwrl costs 654.772 real_cost = 396.767 FUGUE_AL5 costs 1412.879 real_cost = 410.785 FUGUE_AL4-scwrl costs 597.149 real_cost = 279.814 FUGUE_AL4 costs 3840.634 real_cost = 289.416 FUGUE_AL3-scwrl costs 500.098 real_cost = 47.951 FUGUE_AL3 costs 26394.800 real_cost = 97.973 FUGUE_AL2-scwrl costs 579.527 real_cost = 243.707 FUGUE_AL2 costs 6058.712 real_cost = 275.643 FUGUE_AL1-scwrl costs 452.242 real_cost = 125.747 FUGUE_AL1 costs 5400.450 real_cost = 172.493 FUGMOD_TS5-scwrl costs 648.207 real_cost = 396.226 FUGMOD_TS5 costs 645.152 real_cost = 390.045 FUGMOD_TS4-scwrl costs 463.761 real_cost = 283.109 FUGMOD_TS4 costs 468.565 real_cost = 284.217 FUGMOD_TS3-scwrl costs 426.193 real_cost = 44.370 FUGMOD_TS3 costs 434.076 real_cost = 35.059 FUGMOD_TS2-scwrl costs 475.678 real_cost = 240.654 FUGMOD_TS2 costs 484.776 real_cost = 248.774 FUGMOD_TS1-scwrl costs 409.913 real_cost = 114.117 FUGMOD_TS1 costs 417.726 real_cost = 127.705 FPSOLVER-SERVER_TS5-scwrl costs 496.459 real_cost = 264.680 FPSOLVER-SERVER_TS5 costs 498.055 real_cost = 267.329 FPSOLVER-SERVER_TS4-scwrl costs 465.558 real_cost = 234.465 FPSOLVER-SERVER_TS4 costs 469.656 real_cost = 241.194 FPSOLVER-SERVER_TS3-scwrl costs 482.971 real_cost = 275.632 FPSOLVER-SERVER_TS3 costs 487.965 real_cost = 279.427 FPSOLVER-SERVER_TS2-scwrl costs 511.858 real_cost = 311.510 FPSOLVER-SERVER_TS2 costs 516.054 real_cost = 312.643 FPSOLVER-SERVER_TS1-scwrl costs 501.028 real_cost = 232.139 FPSOLVER-SERVER_TS1 costs 505.106 real_cost = 258.491 FORTE2_AL5-scwrl costs 903.869 real_cost = 255.308 FORTE2_AL5 costs 135321.588 real_cost = 255.308 FORTE2_AL4-scwrl costs 559.313 real_cost = 181.721 FORTE2_AL4 costs 18107.163 real_cost = 226.106 FORTE2_AL3-scwrl costs 562.748 real_cost = 288.812 FORTE2_AL3 costs 14462.948 real_cost = 316.105 FORTE2_AL2-scwrl costs 864.611 real_cost = 272.342 FORTE2_AL2 costs 81204.111 real_cost = 272.342 FORTE2_AL1-scwrl costs 899.465 real_cost = 162.182 FORTE2_AL1 costs 15058.803 real_cost = 162.182 FORTE1_AL5-scwrl costs 838.484 real_cost = 235.652 FORTE1_AL5 costs 41006.791 real_cost = 235.652 FORTE1_AL4-scwrl costs 559.313 real_cost = 181.721 FORTE1_AL4 costs 18107.163 real_cost = 226.106 FORTE1_AL3-scwrl costs 562.748 real_cost = 288.812 FORTE1_AL3 costs 14462.948 real_cost = 316.105 FORTE1_AL2-scwrl costs 899.465 real_cost = 162.182 FORTE1_AL2 costs 15058.803 real_cost = 162.182 FORTE1_AL1-scwrl costs 498.223 real_cost = 249.231 FORTE1_AL1 costs 206571.574 real_cost = 304.482 FOLDpro_TS5-scwrl costs 449.257 real_cost = 250.383 FOLDpro_TS5 costs 461.350 real_cost = 253.854 FOLDpro_TS4-scwrl costs 483.552 real_cost = 233.198 FOLDpro_TS4 costs 495.573 real_cost = 231.481 FOLDpro_TS3-scwrl costs 575.799 real_cost = 220.583 FOLDpro_TS3 costs 590.791 real_cost = 224.253 FOLDpro_TS2-scwrl costs 476.313 real_cost = 210.922 FOLDpro_TS2 costs 489.678 real_cost = 222.912 FOLDpro_TS1-scwrl costs 449.257 real_cost = 250.383 FOLDpro_TS1 costs 461.350 real_cost = 253.854 FAMS_TS5-scwrl costs 397.606 real_cost = 66.009 FAMS_TS5 costs 402.322 real_cost = 65.523 FAMS_TS4-scwrl costs 571.003 real_cost = 131.014 FAMS_TS4 costs 555.439 real_cost = 124.915 FAMS_TS3-scwrl costs 387.465 real_cost = 66.154 FAMS_TS3 costs 391.026 real_cost = 72.648 FAMS_TS2-scwrl costs 406.160 real_cost = 17.659 FAMS_TS2 costs 407.551 real_cost = 29.533 FAMS_TS1-scwrl costs 449.027 real_cost = 17.302 FAMS_TS1 costs 453.017 real_cost = 27.130 FAMSD_TS5-scwrl costs 494.223 real_cost = 84.888 FAMSD_TS5 costs 498.319 real_cost = 82.114 FAMSD_TS4-scwrl costs 472.514 real_cost = 139.250 FAMSD_TS4 costs 479.477 real_cost = 142.624 FAMSD_TS3-scwrl costs 433.196 real_cost = 94.690 FAMSD_TS3 costs 439.612 real_cost = 100.524 FAMSD_TS2-scwrl costs 509.563 real_cost = 102.482 FAMSD_TS2 costs 515.815 real_cost = 102.014 FAMSD_TS1-scwrl costs 430.621 real_cost = 115.535 FAMSD_TS1 costs 434.907 real_cost = 111.721 Distill_TS5-scwrl costs 1828.904 real_cost = 283.584 Distill_TS4-scwrl costs 1826.807 real_cost = 280.928 Distill_TS3-scwrl costs 1822.102 real_cost = 278.585 Distill_TS2-scwrl costs 1811.861 real_cost = 286.935 Distill_TS1-scwrl costs 1822.256 real_cost = 290.515 CaspIta-FOX_TS5-scwrl costs 489.256 real_cost = 194.842 CaspIta-FOX_TS5 costs 492.310 real_cost = 182.502 CaspIta-FOX_TS4-scwrl costs 607.711 real_cost = 201.126 CaspIta-FOX_TS4 costs 593.849 real_cost = 187.537 CaspIta-FOX_TS3-scwrl costs 494.894 real_cost = 198.147 CaspIta-FOX_TS3 costs 495.448 real_cost = 200.031 CaspIta-FOX_TS2-scwrl costs 669.010 real_cost = 216.895 CaspIta-FOX_TS2 costs 663.361 real_cost = 209.892 CaspIta-FOX_TS1-scwrl costs 519.469 real_cost = 253.875 CaspIta-FOX_TS1 costs 515.610 real_cost = 255.664 CIRCLE_TS5-scwrl costs 406.160 real_cost = 17.659 CIRCLE_TS5 costs 407.551 real_cost = 29.533 CIRCLE_TS4-scwrl costs 397.606 real_cost = 66.009 CIRCLE_TS4 costs 402.322 real_cost = 65.523 CIRCLE_TS3-scwrl costs 387.465 real_cost = 66.154 CIRCLE_TS3 costs 391.026 real_cost = 72.648 CIRCLE_TS2-scwrl costs 463.490 real_cost = 25.323 CIRCLE_TS2 costs 448.593 real_cost = 14.994 CIRCLE_TS1-scwrl costs 418.753 real_cost = 33.048 CIRCLE_TS1 costs 425.366 real_cost = 30.719 Bilab-ENABLE_TS5-scwrl costs 490.682 real_cost = 179.704 Bilab-ENABLE_TS5 costs 490.682 real_cost = 179.704 Bilab-ENABLE_TS4-scwrl costs 417.373 real_cost = 175.170 Bilab-ENABLE_TS4 costs 415.723 real_cost = 175.158 Bilab-ENABLE_TS3-scwrl costs 446.040 real_cost = 165.779 Bilab-ENABLE_TS3 costs 446.476 real_cost = 165.794 Bilab-ENABLE_TS2-scwrl costs 398.535 real_cost = -29.008 Bilab-ENABLE_TS2 costs 398.535 real_cost = -29.008 Bilab-ENABLE_TS1-scwrl costs 423.596 real_cost = 151.356 Bilab-ENABLE_TS1 costs 423.596 real_cost = 151.356 BayesHH_TS1-scwrl costs 454.957 real_cost = 24.533 BayesHH_TS1 costs 446.006 real_cost = 33.193 ABIpro_TS5-scwrl costs 454.250 real_cost = 146.217 ABIpro_TS5 costs 454.250 real_cost = 146.217 ABIpro_TS4-scwrl costs 443.492 real_cost = 178.213 ABIpro_TS4 costs 443.492 real_cost = 178.213 ABIpro_TS3-scwrl costs 465.905 real_cost = 191.899 ABIpro_TS3 costs 465.905 real_cost = 191.899 ABIpro_TS2-scwrl costs 507.327 real_cost = 171.963 ABIpro_TS2 costs 507.327 real_cost = 171.963 ABIpro_TS1-scwrl costs 464.550 real_cost = 170.679 ABIpro_TS1 costs 464.288 real_cost = 171.531 3Dpro_TS5-scwrl costs 467.661 real_cost = 158.069 3Dpro_TS5 costs 477.339 real_cost = 167.647 3Dpro_TS4-scwrl costs 449.257 real_cost = 250.383 3Dpro_TS4 costs 461.350 real_cost = 253.854 3Dpro_TS3-scwrl costs 507.327 real_cost = 171.963 3Dpro_TS3 costs 507.327 real_cost = 171.963 3Dpro_TS2-scwrl costs 483.552 real_cost = 233.198 3Dpro_TS2 costs 495.573 real_cost = 231.481 3Dpro_TS1-scwrl costs 464.550 real_cost = 170.679 3Dpro_TS1 costs 464.288 real_cost = 171.531 3D-JIGSAW_TS5-scwrl costs 618.578 real_cost = 229.099 3D-JIGSAW_TS5 costs 609.865 real_cost = 222.790 3D-JIGSAW_TS4-scwrl costs 612.035 real_cost = 294.225 3D-JIGSAW_TS4 costs 592.305 real_cost = 277.788 3D-JIGSAW_TS3-scwrl costs 627.977 real_cost = 242.355 3D-JIGSAW_TS3 costs 610.356 real_cost = 247.898 3D-JIGSAW_TS2-scwrl costs 591.377 real_cost = 197.008 3D-JIGSAW_TS2 costs 588.923 real_cost = 197.103 3D-JIGSAW_TS1-scwrl costs 548.879 real_cost = 203.815 3D-JIGSAW_TS1 costs 556.833 real_cost = 208.727 3D-JIGSAW_RECOM_TS5-scwrl costs 584.109 real_cost = 144.848 3D-JIGSAW_RECOM_TS5 costs 567.743 real_cost = 143.025 3D-JIGSAW_RECOM_TS4-scwrl costs 598.859 real_cost = 180.013 3D-JIGSAW_RECOM_TS4 costs 583.815 real_cost = 190.137 3D-JIGSAW_RECOM_TS3-scwrl costs 654.993 real_cost = 241.370 3D-JIGSAW_RECOM_TS3 costs 635.428 real_cost = 233.116 3D-JIGSAW_RECOM_TS2-scwrl costs 576.942 real_cost = 134.556 3D-JIGSAW_RECOM_TS2 costs 560.728 real_cost = 133.113 3D-JIGSAW_RECOM_TS1-scwrl costs 619.747 real_cost = 195.227 3D-JIGSAW_RECOM_TS1 costs 605.370 real_cost = 202.670 3D-JIGSAW_POPULUS_TS5-scwrl costs 551.041 real_cost = 174.945 3D-JIGSAW_POPULUS_TS5 costs 540.828 real_cost = 167.286 3D-JIGSAW_POPULUS_TS4-scwrl costs 510.638 real_cost = 169.992 3D-JIGSAW_POPULUS_TS4 costs 498.848 real_cost = 170.047 3D-JIGSAW_POPULUS_TS3-scwrl costs 483.442 real_cost = 192.577 3D-JIGSAW_POPULUS_TS3 costs 480.811 real_cost = 191.068 3D-JIGSAW_POPULUS_TS2-scwrl costs 548.985 real_cost = 238.444 3D-JIGSAW_POPULUS_TS2 costs 539.862 real_cost = 238.251 3D-JIGSAW_POPULUS_TS1-scwrl costs 514.414 real_cost = 197.463 3D-JIGSAW_POPULUS_TS1 costs 514.414 real_cost = 197.463 T0349.try8-opt2.repack-nonPC.pdb.gz costs 341.195 real_cost = 76.015 T0349.try8-opt2.pdb.gz costs 338.454 real_cost = 80.907 T0349.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 349.496 real_cost = 82.070 T0349.try8-opt2.gromacs0.pdb.gz costs 346.896 real_cost = 87.227 T0349.try8-opt1.pdb.gz costs 344.629 real_cost = 79.003 T0349.try8-opt1-scwrl.pdb.gz costs 347.156 real_cost = 77.754 T0349.try7-opt2.repack-nonPC.pdb.gz costs 334.132 real_cost = 79.926 T0349.try7-opt2.pdb.gz costs 327.183 real_cost = 80.602 T0349.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 344.805 real_cost = 83.286 T0349.try7-opt2.gromacs0.pdb.gz costs 339.238 real_cost = 87.210 T0349.try7-opt1.pdb.gz costs 328.094 real_cost = 80.370 T0349.try7-opt1-scwrl.pdb.gz costs 336.038 real_cost = 79.284 T0349.try6-opt2.repack-nonPC.pdb.gz costs 335.695 real_cost = 78.191 T0349.try6-opt2.pdb.gz costs 328.579 real_cost = 78.595 T0349.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 344.694 real_cost = 78.556 T0349.try6-opt2.gromacs0.pdb.gz costs 340.450 real_cost = 83.932 T0349.try6-opt1.pdb.gz costs 331.441 real_cost = 75.999 T0349.try6-opt1-scwrl.pdb.gz costs 338.073 real_cost = 78.436 T0349.try5-opt2.repack-nonPC.pdb.gz costs 339.052 real_cost = 77.222 T0349.try5-opt2.pdb.gz costs 333.399 real_cost = 76.215 T0349.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 346.739 real_cost = 81.111 T0349.try5-opt2.gromacs0.pdb.gz costs 342.005 real_cost = 81.941 T0349.try5-opt1.pdb.gz costs 342.453 real_cost = 75.026 T0349.try5-opt1-scwrl.pdb.gz costs 345.511 real_cost = 71.256 T0349.try4-opt2.repack-nonPC.pdb.gz costs 352.781 real_cost = -15.132 T0349.try4-opt2.pdb.gz costs 346.216 real_cost = -12.175 T0349.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 365.194 real_cost = -18.298 T0349.try4-opt2.gromacs0.pdb.gz costs 359.563 real_cost = -11.604 T0349.try4-opt1.pdb.gz costs 352.089 real_cost = -13.036 T0349.try4-opt1-scwrl.pdb.gz costs 353.483 real_cost = -15.691 T0349.try3-opt2.repack-nonPC.pdb.gz costs 347.991 real_cost = 65.718 T0349.try3-opt2.pdb.gz costs 344.442 real_cost = 66.113 T0349.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 362.893 real_cost = 65.349 T0349.try3-opt2.gromacs0.pdb.gz costs 359.825 real_cost = 68.498 T0349.try3-opt1.pdb.gz costs 350.809 real_cost = 62.988 T0349.try3-opt1-scwrl.pdb.gz costs 350.325 real_cost = 64.443 T0349.try20-opt2.repack-nonPC.pdb.gz costs 325.110 real_cost = 82.759 T0349.try20-opt2.pdb.gz costs 321.548 real_cost = 81.984 T0349.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 345.514 real_cost = 85.018 T0349.try20-opt2.gromacs0.pdb.gz costs 344.312 real_cost = 83.998 T0349.try20-opt1.pdb.gz costs 328.779 real_cost = 84.181 T0349.try20-opt1-scwrl.pdb.gz costs 330.899 real_cost = 82.136 T0349.try2-opt2.repack-nonPC.pdb.gz costs 334.972 real_cost = 69.881 T0349.try2-opt2.pdb.gz costs 328.534 real_cost = 68.360 T0349.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 351.426 real_cost = 65.325 T0349.try2-opt2.gromacs0.pdb.gz costs 348.442 real_cost = 66.378 T0349.try2-opt1.pdb.gz costs 338.188 real_cost = 71.939 T0349.try2-opt1-scwrl.pdb.gz costs 339.705 real_cost = 70.506 T0349.try19-opt2.repack-nonPC.pdb.gz costs 333.144 real_cost = -17.807 T0349.try19-opt2.pdb.gz costs 328.463 real_cost = -13.741 T0349.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 350.922 real_cost = -13.745 T0349.try19-opt2.gromacs0.pdb.gz costs 349.738 real_cost = -10.384 T0349.try19-opt1.pdb.gz costs 334.479 real_cost = -17.374 T0349.try19-opt1-scwrl.pdb.gz costs 339.476 real_cost = -17.207 T0349.try18-opt2.repack-nonPC.pdb.gz costs 332.248 real_cost = 77.466 T0349.try18-opt2.pdb.gz costs 326.773 real_cost = 79.497 T0349.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 348.918 real_cost = 82.182 T0349.try18-opt2.gromacs0.pdb.gz costs 345.496 real_cost = 82.135 T0349.try18-opt1.pdb.gz costs 332.389 real_cost = 78.592 T0349.try18-opt1-scwrl.pdb.gz costs 335.089 real_cost = 75.366 T0349.try17-opt2.repack-nonPC.pdb.gz costs 343.003 real_cost = 77.121 T0349.try17-opt2.pdb.gz costs 338.267 real_cost = 77.258 T0349.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 352.379 real_cost = 80.837 T0349.try17-opt2.gromacs0.pdb.gz costs 350.353 real_cost = 77.912 T0349.try17-opt1.pdb.gz costs 340.337 real_cost = 74.478 T0349.try17-opt1-scwrl.pdb.gz costs 344.643 real_cost = 75.012 T0349.try16-opt2.repack-nonPC.pdb.gz costs 344.940 real_cost = 68.272 T0349.try16-opt2.pdb.gz costs 340.323 real_cost = 68.225 T0349.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 359.575 real_cost = 63.427 T0349.try16-opt2.gromacs0.pdb.gz costs 356.697 real_cost = 68.353 T0349.try16-opt1.pdb.gz costs 342.639 real_cost = 67.580 T0349.try16-opt1-scwrl.pdb.gz costs 345.827 real_cost = 67.921 T0349.try15-opt2.repack-nonPC.pdb.gz costs 352.183 real_cost = 65.761 T0349.try15-opt2.pdb.gz costs 345.550 real_cost = 69.394 T0349.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 357.277 real_cost = 65.119 T0349.try15-opt2.gromacs0.pdb.gz costs 354.659 real_cost = 74.667 T0349.try15-opt1.pdb.gz costs 352.661 real_cost = 69.461 T0349.try15-opt1-scwrl.pdb.gz costs 357.067 real_cost = 65.999 T0349.try14-opt2.repack-nonPC.pdb.gz costs 350.253 real_cost = 70.361 T0349.try14-opt2.pdb.gz costs 345.095 real_cost = 74.594 T0349.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 366.120 real_cost = 69.285 T0349.try14-opt2.gromacs0.pdb.gz costs 362.464 real_cost = 74.609 T0349.try14-opt1.pdb.gz costs 353.193 real_cost = 77.358 T0349.try14-opt1-scwrl.pdb.gz costs 355.191 real_cost = 76.936 T0349.try13-opt2.repack-nonPC.pdb.gz costs 358.367 real_cost = 55.265 T0349.try13-opt2.pdb.gz costs 355.199 real_cost = 54.581 T0349.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 369.992 real_cost = 54.260 T0349.try13-opt2.gromacs0.pdb.gz costs 366.100 real_cost = 54.712 T0349.try13-opt1.pdb.gz costs 362.634 real_cost = 54.131 T0349.try13-opt1-scwrl.pdb.gz costs 366.320 real_cost = 54.012 T0349.try12-opt2.repack-nonPC.pdb.gz costs 340.448 real_cost = -19.611 T0349.try12-opt2.pdb.gz costs 333.648 real_cost = -18.052 T0349.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 353.163 real_cost = -19.151 T0349.try12-opt2.gromacs0.pdb.gz costs 350.824 real_cost = -15.187 T0349.try12-opt1.pdb.gz costs 340.382 real_cost = -17.892 T0349.try12-opt1-scwrl.pdb.gz costs 343.064 real_cost = -15.919 T0349.try11-opt2.repack-nonPC.pdb.gz costs 355.482 real_cost = -12.945 T0349.try11-opt2.pdb.gz costs 347.362 real_cost = -14.135 T0349.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 366.824 real_cost = -16.907 T0349.try11-opt2.gromacs0.pdb.gz costs 363.392 real_cost = -15.756 T0349.try11-opt1.pdb.gz costs 353.773 real_cost = -12.504 T0349.try11-opt1-scwrl.pdb.gz costs 354.444 real_cost = -14.677 T0349.try10-opt2.repack-nonPC.pdb.gz costs 345.930 real_cost = 76.046 T0349.try10-opt2.pdb.gz costs 339.863 real_cost = 73.019 T0349.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 357.387 real_cost = 73.638 T0349.try10-opt2.gromacs0.pdb.gz costs 356.043 real_cost = 70.654 T0349.try10-opt1.pdb.gz costs 345.687 real_cost = 79.213 T0349.try10-opt1-scwrl.pdb.gz costs 346.388 real_cost = 78.903 T0349.try1-opt2.repack-nonPC.pdb.gz costs 352.173 real_cost = 76.743 T0349.try1-opt2.pdb.gz costs 346.688 real_cost = 78.964 T0349.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 367.562 real_cost = 72.131 T0349.try1-opt2.gromacs0.pdb.gz costs 366.221 real_cost = 76.604 T0349.try1-opt1.pdb.gz costs 360.310 real_cost = 76.472 T0349.try1-opt1-scwrl.pdb.gz costs 364.243 real_cost = 77.648 ../model5.ts-submitted costs 347.436 real_cost = -14.624 ../model4.ts-submitted costs 365.218 real_cost = -18.647 ../model3.ts-submitted costs 328.494 real_cost = -13.759 ../model2.ts-submitted costs 328.540 real_cost = 68.785 ../model1.ts-submitted costs 321.492 real_cost = 82.104 align5 costs 674.883 real_cost = 71.085 align4 costs 1074.937 real_cost = 207.036 align3 costs 734.545 real_cost = 9.202 align2 costs 1056.841 real_cost = 98.856 align1 costs 849.598 real_cost = 18.528 T0349.try1-opt2.pdb costs 346.688 real_cost = 78.964 model5-scwrl costs 353.589 real_cost = -13.741 model5.ts-submitted costs 347.436 real_cost = -14.624 model4-scwrl costs 363.870 real_cost = -18.019 model4.ts-submitted costs 365.218 real_cost = -18.647 model3-scwrl costs 334.081 real_cost = -16.735 model3.ts-submitted costs 328.494 real_cost = -13.759 model2-scwrl costs 333.725 real_cost = 68.801 model2.ts-submitted costs 328.540 real_cost = 68.785 model1-scwrl costs 326.821 real_cost = 83.936 model1.ts-submitted costs 321.492 real_cost = 82.043 2hfvA costs 468.210 real_cost = -895.000 # command:CPU_time= 139.139 sec, elapsed time= 522.843 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/T0349'