make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0327' 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/T0327.} ;\ 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/T0327/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hgcA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174242533 # 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= 6.18306 sec, elapsed time= 12.5583 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= 6.26305 sec, elapsed time= 12.7551 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0327 numbered 1 through 102 Created new target T0327 from T0327.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file predburial.costfcn # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-near-backbone-2spot.hist # created burial cost function nb11 with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 5 alphabets from two-spot-burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_nb11_2k # created predicted BurialPredCostFcn pred_nb11_2k_simple # created predicted BurialPredCostFcn pred_nb11_04 # created predicted BurialPredCostFcn pred_nb11_04_simple # created predicted BurialPredCostFcn pred_nb11_06 # created predicted BurialPredCostFcn pred_nb11_06_simple # reading predictions from T0327.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 T0327.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 T0327.t06.alpha.rdb # created predicted alpha cost function pred_alpha06 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-monomeric-50pc-CB14.hist # created burial cost function cb14 with radius 14 with spots at CB counting only CB # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 28 alphabets from burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_cb14_2k # created predicted BurialPredCostFcn pred_cb14_2k_simple # created predicted BurialPredCostFcn pred_cb14_04 # created predicted BurialPredCostFcn pred_cb14_04_simple # created predicted BurialPredCostFcn pred_cb14_06 # created predicted BurialPredCostFcn pred_cb14_06_simple Unrecognized cost function c_beta for SetCost Unrecognized cost function 5 for SetCost # SetCost created cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 5 * nb11(9.65) + 5 * pred_nb11_2k_simple(9.65) + 5 * pred_nb11_2k(9.65) + 5 * pred_nb11_04_simple(9.65) + 5 * pred_nb11_04(9.65) + 5 * pred_nb11_06_simple(9.65) + 5 * pred_nb11_06(9.65) + 5 * cb14(14) + 5 * pred_cb14_2k_simple(14) + 5 * pred_cb14_2k(14) + 5 * pred_cb14_04_simple(14) + 5 * pred_cb14_04(14) + 5 * pred_cb14_06_simple(14) + 5 * pred_cb14_06(14) + 2 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms ) # command:CPU_time= 8.92164 sec, elapsed time= 18.74 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 56 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -55.4487 # GDT_score(maxd=8,maxw=2.9)= -54.7537 # GDT_score(maxd=8,maxw=3.2)= -52.0205 # GDT_score(maxd=8,maxw=3.5)= -49.4597 # GDT_score(maxd=10,maxw=3.8)= -53.2603 # GDT_score(maxd=10,maxw=4)= -51.6446 # GDT_score(maxd=10,maxw=4.2)= -50.0173 # GDT_score(maxd=12,maxw=4.3)= -54.1332 # GDT_score(maxd=12,maxw=4.5)= -52.476 # GDT_score(maxd=12,maxw=4.7)= -50.8563 # GDT_score(maxd=14,maxw=5.2)= -50.7962 # GDT_score(maxd=14,maxw=5.5)= -48.6549 # 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 -8.708 -3.132 -5.445 1.00 0.00 ATOM 2 CA MET A 1 -8.634 -1.992 -4.512 1.00 0.00 ATOM 3 CB MET A 1 -8.814 -0.677 -5.258 1.00 0.00 ATOM 4 CG MET A 1 -7.746 -0.490 -6.327 1.00 0.00 ATOM 5 SD MET A 1 -7.940 1.078 -7.238 1.00 0.00 ATOM 6 CE MET A 1 -7.224 2.139 -5.999 1.00 0.00 ATOM 7 O MET A 1 -10.771 -2.725 -3.801 1.00 0.00 ATOM 8 C MET A 1 -9.771 -2.088 -3.482 1.00 0.00 ATOM 9 N ASN A 2 -9.469 -1.731 -2.243 1.00 0.00 ATOM 10 CA ASN A 2 -10.471 -1.749 -1.155 1.00 0.00 ATOM 11 CB ASN A 2 -9.760 -1.857 0.188 1.00 0.00 ATOM 12 CG ASN A 2 -8.955 -3.150 0.252 1.00 0.00 ATOM 13 ND2 ASN A 2 -7.731 -3.047 0.720 1.00 0.00 ATOM 14 OD1 ASN A 2 -9.414 -4.210 -0.115 1.00 0.00 ATOM 15 O ASN A 2 -11.036 0.554 -1.584 1.00 0.00 ATOM 16 C ASN A 2 -11.380 -0.519 -1.087 1.00 0.00 ATOM 17 N LYS A 3 -12.577 -0.691 -0.471 1.00 0.00 ATOM 18 CA LYS A 3 -13.543 0.394 -0.373 1.00 0.00 ATOM 19 CB LYS A 3 -14.982 -0.312 -0.206 1.00 0.00 ATOM 20 CG LYS A 3 -15.485 -1.130 -1.386 1.00 0.00 ATOM 21 CD LYS A 3 -16.730 -1.932 -0.929 1.00 0.00 ATOM 22 CE LYS A 3 -17.393 -2.632 -2.087 1.00 0.00 ATOM 23 NZ LYS A 3 -18.692 -3.252 -1.730 1.00 0.00 ATOM 24 O LYS A 3 -13.605 2.626 0.457 1.00 0.00 ATOM 25 C LYS A 3 -13.235 1.471 0.655 1.00 0.00 ATOM 26 N ASP A 4 -12.455 1.094 1.660 1.00 0.00 ATOM 27 CA ASP A 4 -11.995 2.031 2.698 1.00 0.00 ATOM 28 CB ASP A 4 -11.086 1.318 3.709 1.00 0.00 ATOM 29 CG ASP A 4 -11.810 0.270 4.569 1.00 0.00 ATOM 30 OD1 ASP A 4 -13.052 0.343 4.721 1.00 0.00 ATOM 31 OD2 ASP A 4 -11.065 -0.551 5.152 1.00 0.00 ATOM 32 O ASP A 4 -10.345 3.014 1.250 1.00 0.00 ATOM 33 C ASP A 4 -11.254 3.210 2.056 1.00 0.00 ATOM 34 N LYS A 5 -11.645 4.442 2.390 1.00 0.00 ATOM 35 CA LYS A 5 -11.046 5.651 1.833 1.00 0.00 ATOM 36 CB LYS A 5 -11.517 6.892 2.611 1.00 0.00 ATOM 37 CG LYS A 5 -10.894 7.059 3.982 1.00 0.00 ATOM 38 CD LYS A 5 -11.564 8.182 4.763 1.00 0.00 ATOM 39 CE LYS A 5 -10.866 8.424 6.094 1.00 0.00 ATOM 40 NZ LYS A 5 -10.726 7.186 6.904 1.00 0.00 ATOM 41 O LYS A 5 -8.857 5.900 0.928 1.00 0.00 ATOM 42 C LYS A 5 -9.532 5.667 1.943 1.00 0.00 ATOM 43 N LEU A 6 -8.968 5.447 3.141 1.00 0.00 ATOM 44 CA LEU A 6 -7.511 5.530 3.300 1.00 0.00 ATOM 45 CB LEU A 6 -7.070 5.288 4.698 1.00 0.00 ATOM 46 CG LEU A 6 -7.437 6.435 5.641 1.00 0.00 ATOM 47 CD1 LEU A 6 -7.111 6.059 7.073 1.00 0.00 ATOM 48 CD2 LEU A 6 -6.682 7.697 5.234 1.00 0.00 ATOM 49 O LEU A 6 -5.871 4.753 1.711 1.00 0.00 ATOM 50 C LEU A 6 -6.797 4.451 2.467 1.00 0.00 ATOM 51 N ARG A 7 -7.232 3.193 2.586 1.00 0.00 ATOM 52 CA ARG A 7 -6.631 2.106 1.825 1.00 0.00 ATOM 53 CB ARG A 7 -7.259 0.768 2.223 1.00 0.00 ATOM 54 CG ARG A 7 -7.147 0.409 3.685 1.00 0.00 ATOM 55 CD ARG A 7 -7.495 -1.090 3.906 1.00 0.00 ATOM 56 NE ARG A 7 -8.145 -1.174 5.243 1.00 0.00 ATOM 57 CZ ARG A 7 -7.404 -1.332 6.343 1.00 0.00 ATOM 58 NH1 ARG A 7 -6.088 -1.449 6.222 1.00 0.00 ATOM 59 NH2 ARG A 7 -8.004 -1.382 7.528 1.00 0.00 ATOM 60 O ARG A 7 -6.044 2.025 -0.514 1.00 0.00 ATOM 61 C ARG A 7 -6.892 2.288 0.336 1.00 0.00 ATOM 62 N TYR A 8 -8.083 2.884 -0.037 1.00 0.00 ATOM 63 CA TYR A 8 -8.319 3.140 -1.476 1.00 0.00 ATOM 64 CB TYR A 8 -9.480 4.368 -1.553 1.00 0.00 ATOM 65 CG TYR A 8 -10.582 4.193 -2.561 1.00 0.00 ATOM 66 CD1 TYR A 8 -11.651 3.338 -2.271 1.00 0.00 ATOM 67 CD2 TYR A 8 -10.519 4.774 -3.826 1.00 0.00 ATOM 68 CE1 TYR A 8 -12.629 3.079 -3.200 1.00 0.00 ATOM 69 CE2 TYR A 8 -11.499 4.495 -4.795 1.00 0.00 ATOM 70 CZ TYR A 8 -12.544 3.621 -4.472 1.00 0.00 ATOM 71 OH TYR A 8 -13.537 3.343 -5.423 1.00 0.00 ATOM 72 O TYR A 8 -6.617 3.747 -3.048 1.00 0.00 ATOM 73 C TYR A 8 -7.234 4.044 -2.032 1.00 0.00 ATOM 74 N ALA A 9 -6.991 5.151 -1.313 1.00 0.00 ATOM 75 CA ALA A 9 -5.986 6.133 -1.719 1.00 0.00 ATOM 76 CB ALA A 9 -5.999 7.322 -0.725 1.00 0.00 ATOM 77 O ALA A 9 -3.798 5.787 -2.693 1.00 0.00 ATOM 78 C ALA A 9 -4.579 5.522 -1.741 1.00 0.00 ATOM 79 N ILE A 10 -4.259 4.709 -0.748 1.00 0.00 ATOM 80 CA ILE A 10 -2.955 4.073 -0.677 1.00 0.00 ATOM 81 CB ILE A 10 -2.842 3.349 0.671 1.00 0.00 ATOM 82 CG1 ILE A 10 -3.028 4.310 1.847 1.00 0.00 ATOM 83 CG2 ILE A 10 -1.475 2.708 0.770 1.00 0.00 ATOM 84 CD1 ILE A 10 -2.808 3.809 3.280 1.00 0.00 ATOM 85 O ILE A 10 -1.613 2.970 -2.349 1.00 0.00 ATOM 86 C ILE A 10 -2.714 3.073 -1.821 1.00 0.00 ATOM 87 N LEU A 11 -3.783 2.402 -2.242 1.00 0.00 ATOM 88 CA LEU A 11 -3.705 1.423 -3.340 1.00 0.00 ATOM 89 CB LEU A 11 -4.989 0.607 -3.458 1.00 0.00 ATOM 90 CG LEU A 11 -5.003 -0.467 -2.380 1.00 0.00 ATOM 91 CD1 LEU A 11 -6.395 -1.064 -2.239 1.00 0.00 ATOM 92 CD2 LEU A 11 -4.041 -1.583 -2.757 1.00 0.00 ATOM 93 O LEU A 11 -2.644 1.589 -5.473 1.00 0.00 ATOM 94 C LEU A 11 -3.413 2.103 -4.677 1.00 0.00 ATOM 95 N LYS A 12 -3.979 3.296 -4.857 1.00 0.00 ATOM 96 CA LYS A 12 -3.692 4.119 -6.032 1.00 0.00 ATOM 97 CB LYS A 12 -4.775 5.189 -6.178 1.00 0.00 ATOM 98 CG LYS A 12 -4.307 6.649 -6.143 1.00 0.00 ATOM 99 CD LYS A 12 -5.401 7.580 -6.646 1.00 0.00 ATOM 100 CE LYS A 12 -5.248 7.948 -8.113 1.00 0.00 ATOM 101 NZ LYS A 12 -6.072 9.127 -8.442 1.00 0.00 ATOM 102 O LYS A 12 -1.496 4.391 -6.966 1.00 0.00 ATOM 103 C LYS A 12 -2.230 4.570 -5.998 1.00 0.00 ATOM 104 N GLU A 13 -1.767 5.115 -4.846 1.00 0.00 ATOM 105 CA GLU A 13 -0.368 5.525 -4.687 1.00 0.00 ATOM 106 CB GLU A 13 -0.018 6.017 -3.324 1.00 0.00 ATOM 107 CG GLU A 13 1.460 6.310 -3.130 1.00 0.00 ATOM 108 CD GLU A 13 1.812 6.895 -1.766 1.00 0.00 ATOM 109 OE1 GLU A 13 1.277 6.425 -0.732 1.00 0.00 ATOM 110 OE2 GLU A 13 2.625 7.834 -1.722 1.00 0.00 ATOM 111 O GLU A 13 1.439 4.384 -5.808 1.00 0.00 ATOM 112 C GLU A 13 0.618 4.360 -4.903 1.00 0.00 ATOM 113 N ILE A 14 0.312 3.212 -4.316 1.00 0.00 ATOM 114 CA ILE A 14 1.214 2.050 -4.416 1.00 0.00 ATOM 115 CB ILE A 14 1.100 1.185 -3.142 1.00 0.00 ATOM 116 CG1 ILE A 14 1.267 1.991 -1.850 1.00 0.00 ATOM 117 CG2 ILE A 14 2.201 0.128 -3.070 1.00 0.00 ATOM 118 CD1 ILE A 14 2.643 2.629 -1.571 1.00 0.00 ATOM 119 O ILE A 14 1.843 0.504 -6.134 1.00 0.00 ATOM 120 C ILE A 14 1.000 1.311 -5.737 1.00 0.00 ATOM 121 N PHE A 15 -0.075 1.597 -6.559 1.00 0.00 ATOM 122 CA PHE A 15 -0.315 0.921 -7.829 1.00 0.00 ATOM 123 CB PHE A 15 -1.549 1.630 -8.390 1.00 0.00 ATOM 124 CG PHE A 15 -2.306 0.856 -9.466 1.00 0.00 ATOM 125 CD1 PHE A 15 -3.383 0.140 -8.977 1.00 0.00 ATOM 126 CD2 PHE A 15 -2.058 0.925 -10.835 1.00 0.00 ATOM 127 CE1 PHE A 15 -4.229 -0.504 -9.852 1.00 0.00 ATOM 128 CE2 PHE A 15 -2.927 0.276 -11.708 1.00 0.00 ATOM 129 CZ PHE A 15 -4.009 -0.432 -11.208 1.00 0.00 ATOM 130 O PHE A 15 1.272 0.107 -9.446 1.00 0.00 ATOM 131 C PHE A 15 0.781 1.089 -8.883 1.00 0.00 ATOM 132 N GLU A 16 1.161 2.342 -9.091 1.00 0.00 ATOM 133 CA GLU A 16 2.207 2.706 -10.061 1.00 0.00 ATOM 134 CB GLU A 16 2.237 4.226 -10.210 1.00 0.00 ATOM 135 CG GLU A 16 3.071 4.748 -11.389 1.00 0.00 ATOM 136 CD GLU A 16 3.018 6.284 -11.528 1.00 0.00 ATOM 137 OE1 GLU A 16 3.649 6.807 -12.474 1.00 0.00 ATOM 138 OE2 GLU A 16 2.476 6.933 -10.602 1.00 0.00 ATOM 139 O GLU A 16 4.463 1.952 -10.467 1.00 0.00 ATOM 140 C GLU A 16 3.535 2.039 -9.663 1.00 0.00 ATOM 141 N GLY A 17 3.641 1.554 -8.364 1.00 0.00 ATOM 142 CA GLY A 17 4.857 0.909 -7.889 1.00 0.00 ATOM 143 O GLY A 17 5.308 -0.033 -5.751 1.00 0.00 ATOM 144 C GLY A 17 5.374 0.975 -6.443 1.00 0.00 ATOM 145 N ASN A 18 6.207 1.980 -6.164 1.00 0.00 ATOM 146 CA ASN A 18 6.828 2.132 -4.824 1.00 0.00 ATOM 147 CB ASN A 18 8.223 1.516 -4.767 1.00 0.00 ATOM 148 CG ASN A 18 9.175 2.204 -5.736 1.00 0.00 ATOM 149 ND2 ASN A 18 9.369 1.573 -6.849 1.00 0.00 ATOM 150 OD1 ASN A 18 9.692 3.297 -5.543 1.00 0.00 ATOM 151 O ASN A 18 7.257 4.422 -5.231 1.00 0.00 ATOM 152 C ASN A 18 6.925 3.603 -4.388 1.00 0.00 ATOM 153 N THR A 19 7.025 3.817 -3.078 1.00 0.00 ATOM 154 CA THR A 19 7.202 5.157 -2.486 1.00 0.00 ATOM 155 CB THR A 19 5.871 5.945 -2.482 1.00 0.00 ATOM 156 CG2 THR A 19 4.806 5.339 -1.572 1.00 0.00 ATOM 157 OG1 THR A 19 6.133 7.298 -2.096 1.00 0.00 ATOM 158 O THR A 19 7.534 4.012 -0.400 1.00 0.00 ATOM 159 C THR A 19 7.768 5.043 -1.053 1.00 0.00 ATOM 160 N PRO A 20 8.544 6.020 -0.575 1.00 0.00 ATOM 161 CA PRO A 20 9.019 6.045 0.821 1.00 0.00 ATOM 162 CB PRO A 20 9.807 7.347 0.963 1.00 0.00 ATOM 163 CG PRO A 20 10.292 7.636 -0.452 1.00 0.00 ATOM 164 CD PRO A 20 9.152 7.124 -1.322 1.00 0.00 ATOM 165 O PRO A 20 6.765 6.653 1.447 1.00 0.00 ATOM 166 C PRO A 20 7.802 6.069 1.742 1.00 0.00 ATOM 167 N LEU A 21 7.982 5.415 2.879 1.00 0.00 ATOM 168 CA LEU A 21 7.012 5.365 3.989 1.00 0.00 ATOM 169 CB LEU A 21 7.727 4.678 5.163 1.00 0.00 ATOM 170 CG LEU A 21 8.528 5.636 6.055 1.00 0.00 ATOM 171 CD1 LEU A 21 7.816 5.842 7.390 1.00 0.00 ATOM 172 CD2 LEU A 21 10.018 5.304 6.180 1.00 0.00 ATOM 173 O LEU A 21 5.493 7.020 4.841 1.00 0.00 ATOM 174 C LEU A 21 6.638 6.769 4.457 1.00 0.00 ATOM 175 N SER A 22 7.576 7.717 4.382 1.00 0.00 ATOM 176 CA SER A 22 7.343 9.095 4.806 1.00 0.00 ATOM 177 CB SER A 22 9.166 9.380 4.842 1.00 0.00 ATOM 178 OG SER A 22 9.302 10.137 3.650 1.00 0.00 ATOM 179 O SER A 22 5.934 10.960 4.366 1.00 0.00 ATOM 180 C SER A 22 6.402 9.915 3.926 1.00 0.00 ATOM 181 N GLU A 23 6.123 9.453 2.718 1.00 0.00 ATOM 182 CA GLU A 23 5.268 10.281 1.837 1.00 0.00 ATOM 183 CB GLU A 23 5.580 9.784 0.392 1.00 0.00 ATOM 184 CG GLU A 23 7.042 9.831 -0.107 1.00 0.00 ATOM 185 CD GLU A 23 7.802 11.166 -0.048 1.00 0.00 ATOM 186 OE1 GLU A 23 7.190 12.208 -0.388 1.00 0.00 ATOM 187 OE2 GLU A 23 8.974 11.177 0.433 1.00 0.00 ATOM 188 O GLU A 23 3.350 9.829 3.212 1.00 0.00 ATOM 189 C GLU A 23 3.970 10.653 2.540 1.00 0.00 ATOM 190 N ASN A 24 3.508 11.954 2.395 1.00 0.00 ATOM 191 CA ASN A 24 2.273 12.440 2.982 1.00 0.00 ATOM 192 CB ASN A 24 2.530 13.626 3.922 1.00 0.00 ATOM 193 CG ASN A 24 3.398 13.243 5.113 1.00 0.00 ATOM 194 ND2 ASN A 24 4.441 14.022 5.356 1.00 0.00 ATOM 195 OD1 ASN A 24 3.119 12.270 5.812 1.00 0.00 ATOM 196 O ASN A 24 0.398 13.702 2.128 1.00 0.00 ATOM 197 C ASN A 24 1.256 12.840 1.913 1.00 0.00 ATOM 198 N ASP A 25 1.258 12.208 0.752 1.00 0.00 ATOM 199 CA ASP A 25 0.348 12.469 -0.358 1.00 0.00 ATOM 200 CB ASP A 25 1.009 11.931 -1.709 1.00 0.00 ATOM 201 CG ASP A 25 2.339 12.613 -2.089 1.00 0.00 ATOM 202 OD1 ASP A 25 2.574 13.795 -1.711 1.00 0.00 ATOM 203 OD2 ASP A 25 3.105 11.959 -2.824 1.00 0.00 ATOM 204 O ASP A 25 -2.029 12.489 -0.712 1.00 0.00 ATOM 205 C ASP A 25 -1.067 11.941 -0.181 1.00 0.00 ATOM 206 N ILE A 26 -1.181 10.859 0.584 1.00 0.00 ATOM 207 CA ILE A 26 -2.508 10.285 0.898 1.00 0.00 ATOM 208 CB ILE A 26 -2.428 8.760 1.025 1.00 0.00 ATOM 209 CG1 ILE A 26 -1.346 8.430 2.062 1.00 0.00 ATOM 210 CG2 ILE A 26 -2.188 8.126 -0.351 1.00 0.00 ATOM 211 CD1 ILE A 26 -1.322 6.969 2.444 1.00 0.00 ATOM 212 O ILE A 26 -4.335 10.666 2.417 1.00 0.00 ATOM 213 C ILE A 26 -3.170 10.919 2.135 1.00 0.00 ATOM 214 N GLY A 27 -2.365 11.663 2.893 1.00 0.00 ATOM 215 CA GLY A 27 -2.825 12.415 4.075 1.00 0.00 ATOM 216 O GLY A 27 -3.830 11.963 6.184 1.00 0.00 ATOM 217 C GLY A 27 -3.060 11.566 5.310 1.00 0.00 ATOM 218 N VAL A 28 -2.402 10.428 5.360 1.00 0.00 ATOM 219 CA VAL A 28 -2.550 9.558 6.527 1.00 0.00 ATOM 220 CB VAL A 28 -2.385 8.102 6.083 1.00 0.00 ATOM 221 CG1 VAL A 28 -2.456 7.170 7.278 1.00 0.00 ATOM 222 CG2 VAL A 28 -3.518 7.766 5.118 1.00 0.00 ATOM 223 O VAL A 28 -0.341 10.110 7.332 1.00 0.00 ATOM 224 C VAL A 28 -1.502 9.772 7.618 1.00 0.00 ATOM 225 N THR A 29 -1.889 9.567 8.885 1.00 0.00 ATOM 226 CA THR A 29 -0.943 9.583 9.978 1.00 0.00 ATOM 227 CB THR A 29 -1.574 9.546 11.372 1.00 0.00 ATOM 228 CG2 THR A 29 -2.561 10.712 11.550 1.00 0.00 ATOM 229 OG1 THR A 29 -2.235 8.303 11.524 1.00 0.00 ATOM 230 O THR A 29 -0.219 7.452 9.135 1.00 0.00 ATOM 231 C THR A 29 0.065 8.455 9.793 1.00 0.00 ATOM 232 N GLU A 30 1.264 8.587 10.360 1.00 0.00 ATOM 233 CA GLU A 30 2.303 7.572 10.277 1.00 0.00 ATOM 234 CB GLU A 30 3.622 8.053 10.931 1.00 0.00 ATOM 235 CG GLU A 30 4.311 9.257 10.188 1.00 0.00 ATOM 236 CD GLU A 30 5.404 9.904 10.990 1.00 0.00 ATOM 237 OE1 GLU A 30 5.296 10.016 12.245 1.00 0.00 ATOM 238 OE2 GLU A 30 6.357 10.383 10.308 1.00 0.00 ATOM 239 O GLU A 30 2.088 5.183 10.451 1.00 0.00 ATOM 240 C GLU A 30 1.812 6.287 10.928 1.00 0.00 ATOM 241 N ASP A 31 1.030 6.422 12.024 1.00 0.00 ATOM 242 CA ASP A 31 0.483 5.309 12.788 1.00 0.00 ATOM 243 CB ASP A 31 -0.227 5.797 14.057 1.00 0.00 ATOM 244 CG ASP A 31 0.687 6.409 15.122 1.00 0.00 ATOM 245 OD1 ASP A 31 1.894 6.166 15.062 1.00 0.00 ATOM 246 OD2 ASP A 31 0.175 7.224 15.909 1.00 0.00 ATOM 247 O ASP A 31 -0.361 3.294 11.761 1.00 0.00 ATOM 248 C ASP A 31 -0.506 4.494 11.950 1.00 0.00 ATOM 249 N GLN A 32 -1.498 5.197 11.388 1.00 0.00 ATOM 250 CA GLN A 32 -2.496 4.515 10.545 1.00 0.00 ATOM 251 CB GLN A 32 -3.591 5.477 10.135 1.00 0.00 ATOM 252 CG GLN A 32 -4.489 5.843 11.319 1.00 0.00 ATOM 253 CD GLN A 32 -5.335 7.043 10.943 1.00 0.00 ATOM 254 OE1 GLN A 32 -4.912 7.926 10.216 1.00 0.00 ATOM 255 NE2 GLN A 32 -6.515 7.125 11.528 1.00 0.00 ATOM 256 O GLN A 32 -2.212 2.783 8.909 1.00 0.00 ATOM 257 C GLN A 32 -1.852 3.886 9.310 1.00 0.00 ATOM 258 N PHE A 33 -0.874 4.607 8.681 1.00 0.00 ATOM 259 CA PHE A 33 -0.174 4.108 7.495 1.00 0.00 ATOM 260 CB PHE A 33 0.986 5.102 7.300 1.00 0.00 ATOM 261 CG PHE A 33 1.404 5.356 5.857 1.00 0.00 ATOM 262 CD1 PHE A 33 0.910 6.508 5.281 1.00 0.00 ATOM 263 CD2 PHE A 33 2.349 4.579 5.175 1.00 0.00 ATOM 264 CE1 PHE A 33 1.353 6.908 4.031 1.00 0.00 ATOM 265 CE2 PHE A 33 2.762 4.973 3.904 1.00 0.00 ATOM 266 CZ PHE A 33 2.257 6.131 3.327 1.00 0.00 ATOM 267 O PHE A 33 0.550 1.857 7.070 1.00 0.00 ATOM 268 C PHE A 33 0.547 2.812 7.846 1.00 0.00 ATOM 269 N ASP A 34 1.157 2.763 9.043 1.00 0.00 ATOM 270 CA ASP A 34 1.898 1.592 9.489 1.00 0.00 ATOM 271 CB ASP A 34 2.675 1.975 10.755 1.00 0.00 ATOM 272 CG ASP A 34 3.829 2.939 10.527 1.00 0.00 ATOM 273 OD1 ASP A 34 4.281 3.111 9.363 1.00 0.00 ATOM 274 OD2 ASP A 34 4.360 3.384 11.571 1.00 0.00 ATOM 275 O ASP A 34 1.329 -0.716 9.237 1.00 0.00 ATOM 276 C ASP A 34 0.993 0.384 9.670 1.00 0.00 ATOM 277 N ASP A 35 -0.163 0.593 10.320 1.00 0.00 ATOM 278 CA ASP A 35 -1.094 -0.506 10.552 1.00 0.00 ATOM 279 CB ASP A 35 -2.247 -0.037 11.440 1.00 0.00 ATOM 280 CG ASP A 35 -1.851 0.230 12.900 1.00 0.00 ATOM 281 OD1 ASP A 35 -0.779 -0.270 13.317 1.00 0.00 ATOM 282 OD2 ASP A 35 -2.728 0.746 13.636 1.00 0.00 ATOM 283 O ASP A 35 -1.649 -2.323 9.043 1.00 0.00 ATOM 284 C ASP A 35 -1.594 -1.075 9.224 1.00 0.00 ATOM 285 N ALA A 36 -1.996 -0.207 8.269 1.00 0.00 ATOM 286 CA ALA A 36 -2.521 -0.668 7.005 1.00 0.00 ATOM 287 CB ALA A 36 -3.021 0.542 6.209 1.00 0.00 ATOM 288 O ALA A 36 -1.744 -2.426 5.573 1.00 0.00 ATOM 289 C ALA A 36 -1.460 -1.405 6.195 1.00 0.00 ATOM 290 N VAL A 37 -0.209 -0.903 6.200 1.00 0.00 ATOM 291 CA VAL A 37 0.875 -1.535 5.457 1.00 0.00 ATOM 292 CB VAL A 37 2.176 -0.722 5.455 1.00 0.00 ATOM 293 CG1 VAL A 37 1.989 0.584 4.684 1.00 0.00 ATOM 294 CG2 VAL A 37 2.732 -0.448 6.858 1.00 0.00 ATOM 295 O VAL A 37 1.398 -3.867 5.206 1.00 0.00 ATOM 296 C VAL A 37 1.150 -2.940 5.982 1.00 0.00 ATOM 297 N ASN A 38 1.103 -3.098 7.314 1.00 0.00 ATOM 298 CA ASN A 38 1.340 -4.399 7.919 1.00 0.00 ATOM 299 CB ASN A 38 1.292 -4.178 9.425 1.00 0.00 ATOM 300 CG ASN A 38 1.691 -5.472 10.100 1.00 0.00 ATOM 301 ND2 ASN A 38 2.938 -5.861 10.015 1.00 0.00 ATOM 302 OD1 ASN A 38 0.845 -6.223 10.555 1.00 0.00 ATOM 303 O ASN A 38 0.579 -6.542 7.128 1.00 0.00 ATOM 304 C ASN A 38 0.261 -5.380 7.467 1.00 0.00 ATOM 305 N PHE A 39 -0.991 -4.962 7.443 1.00 0.00 ATOM 306 CA PHE A 39 -2.088 -5.812 6.966 1.00 0.00 ATOM 307 CB PHE A 39 -3.430 -5.086 7.199 1.00 0.00 ATOM 308 CG PHE A 39 -4.619 -5.791 6.602 1.00 0.00 ATOM 309 CD1 PHE A 39 -5.116 -6.940 7.207 1.00 0.00 ATOM 310 CD2 PHE A 39 -5.192 -5.321 5.428 1.00 0.00 ATOM 311 CE1 PHE A 39 -6.213 -7.626 6.638 1.00 0.00 ATOM 312 CE2 PHE A 39 -6.277 -5.986 4.866 1.00 0.00 ATOM 313 CZ PHE A 39 -6.791 -7.105 5.487 1.00 0.00 ATOM 314 O PHE A 39 -1.953 -7.415 5.163 1.00 0.00 ATOM 315 C PHE A 39 -1.858 -6.234 5.508 1.00 0.00 ATOM 316 N LEU A 40 -1.464 -5.258 4.691 1.00 0.00 ATOM 317 CA LEU A 40 -1.203 -5.493 3.259 1.00 0.00 ATOM 318 CB LEU A 40 -0.898 -4.184 2.554 1.00 0.00 ATOM 319 CG LEU A 40 -2.028 -3.177 2.574 1.00 0.00 ATOM 320 CD1 LEU A 40 -1.622 -1.925 1.834 1.00 0.00 ATOM 321 CD2 LEU A 40 -3.160 -3.757 1.777 1.00 0.00 ATOM 322 O LEU A 40 -0.153 -7.390 2.233 1.00 0.00 ATOM 323 C LEU A 40 -0.043 -6.442 3.016 1.00 0.00 ATOM 324 N LYS A 41 1.043 -6.213 3.740 1.00 0.00 ATOM 325 CA LYS A 41 2.232 -7.043 3.619 1.00 0.00 ATOM 326 CB LYS A 41 3.382 -6.381 4.369 1.00 0.00 ATOM 327 CG LYS A 41 4.591 -7.270 4.194 1.00 0.00 ATOM 328 CD LYS A 41 5.744 -6.364 3.917 1.00 0.00 ATOM 329 CE LYS A 41 6.924 -7.233 4.158 1.00 0.00 ATOM 330 NZ LYS A 41 8.042 -6.413 4.615 1.00 0.00 ATOM 331 O LYS A 41 2.512 -9.422 3.549 1.00 0.00 ATOM 332 C LYS A 41 2.003 -8.460 4.127 1.00 0.00 ATOM 333 N ARG A 42 1.216 -8.601 5.255 1.00 0.00 ATOM 334 CA ARG A 42 0.943 -9.919 5.814 1.00 0.00 ATOM 335 CB ARG A 42 -0.061 -9.650 6.937 1.00 0.00 ATOM 336 CG ARG A 42 -0.246 -10.853 7.871 1.00 0.00 ATOM 337 CD ARG A 42 -1.270 -10.528 8.958 1.00 0.00 ATOM 338 NE ARG A 42 -0.916 -9.362 9.784 1.00 0.00 ATOM 339 CZ ARG A 42 -1.760 -8.627 10.519 1.00 0.00 ATOM 340 NH1 ARG A 42 -3.073 -8.831 10.600 1.00 0.00 ATOM 341 NH2 ARG A 42 -1.308 -7.686 11.299 1.00 0.00 ATOM 342 O ARG A 42 0.438 -12.022 4.783 1.00 0.00 ATOM 343 C ARG A 42 0.273 -10.803 4.774 1.00 0.00 ATOM 344 N GLU A 43 -0.486 -10.160 3.891 1.00 0.00 ATOM 345 CA GLU A 43 -1.218 -10.883 2.861 1.00 0.00 ATOM 346 CB GLU A 43 -2.801 -10.619 3.189 1.00 0.00 ATOM 347 CG GLU A 43 -3.319 -11.131 4.527 1.00 0.00 ATOM 348 CD GLU A 43 -4.765 -11.586 4.438 1.00 0.00 ATOM 349 OE1 GLU A 43 -5.001 -12.809 4.267 1.00 0.00 ATOM 350 OE2 GLU A 43 -5.663 -10.717 4.526 1.00 0.00 ATOM 351 O GLU A 43 -0.977 -11.553 0.573 1.00 0.00 ATOM 352 C GLU A 43 -0.481 -10.947 1.527 1.00 0.00 ATOM 353 N GLY A 44 0.716 -10.311 1.423 1.00 0.00 ATOM 354 CA GLY A 44 1.485 -10.340 0.190 1.00 0.00 ATOM 355 O GLY A 44 1.634 -9.400 -2.002 1.00 0.00 ATOM 356 C GLY A 44 1.120 -9.332 -0.885 1.00 0.00 ATOM 357 N TYR A 45 0.295 -8.364 -0.526 1.00 0.00 ATOM 358 CA TYR A 45 -0.138 -7.338 -1.472 1.00 0.00 ATOM 359 CB TYR A 45 -1.381 -6.708 -0.854 1.00 0.00 ATOM 360 CG TYR A 45 -2.608 -7.600 -0.898 1.00 0.00 ATOM 361 CD1 TYR A 45 -3.116 -7.942 0.331 1.00 0.00 ATOM 362 CD2 TYR A 45 -3.168 -8.107 -2.069 1.00 0.00 ATOM 363 CE1 TYR A 45 -4.182 -8.808 0.432 1.00 0.00 ATOM 364 CE2 TYR A 45 -4.248 -8.973 -1.979 1.00 0.00 ATOM 365 CZ TYR A 45 -4.751 -9.323 -0.730 1.00 0.00 ATOM 366 OH TYR A 45 -5.976 -9.887 -0.704 1.00 0.00 ATOM 367 O TYR A 45 1.276 -5.938 -2.868 1.00 0.00 ATOM 368 C TYR A 45 0.966 -6.293 -1.731 1.00 0.00 ATOM 369 N ILE A 46 1.605 -5.866 -0.655 1.00 0.00 ATOM 370 CA ILE A 46 2.753 -4.957 -0.764 1.00 0.00 ATOM 371 CB ILE A 46 2.506 -3.564 -0.160 1.00 0.00 ATOM 372 CG1 ILE A 46 2.167 -3.707 1.327 1.00 0.00 ATOM 373 CG2 ILE A 46 1.448 -2.801 -0.960 1.00 0.00 ATOM 374 CD1 ILE A 46 2.073 -2.432 2.138 1.00 0.00 ATOM 375 O ILE A 46 3.759 -6.373 0.942 1.00 0.00 ATOM 376 C ILE A 46 3.918 -5.586 -0.002 1.00 0.00 ATOM 377 N ILE A 47 5.077 -5.041 -0.310 1.00 0.00 ATOM 378 CA ILE A 47 6.334 -5.366 0.381 1.00 0.00 ATOM 379 CB ILE A 47 7.327 -6.048 -0.565 1.00 0.00 ATOM 380 CG1 ILE A 47 7.735 -5.134 -1.721 1.00 0.00 ATOM 381 CG2 ILE A 47 6.705 -7.317 -1.145 1.00 0.00 ATOM 382 CD1 ILE A 47 8.881 -5.653 -2.591 1.00 0.00 ATOM 383 O ILE A 47 6.577 -2.963 0.506 1.00 0.00 ATOM 384 C ILE A 47 6.905 -4.071 0.952 1.00 0.00 ATOM 385 N GLY A 48 7.799 -4.264 1.897 1.00 0.00 ATOM 386 CA GLY A 48 8.468 -3.110 2.514 1.00 0.00 ATOM 387 O GLY A 48 10.212 -4.525 3.356 1.00 0.00 ATOM 388 C GLY A 48 9.913 -3.436 2.825 1.00 0.00 ATOM 389 N VAL A 49 10.770 -2.464 2.549 1.00 0.00 ATOM 390 CA VAL A 49 12.192 -2.642 2.805 1.00 0.00 ATOM 391 CB VAL A 49 12.848 -3.433 1.652 1.00 0.00 ATOM 392 CG1 VAL A 49 12.624 -2.819 0.269 1.00 0.00 ATOM 393 CG2 VAL A 49 14.321 -3.743 1.939 1.00 0.00 ATOM 394 O VAL A 49 12.776 -0.375 2.365 1.00 0.00 ATOM 395 C VAL A 49 12.904 -1.338 3.122 1.00 0.00 ATOM 396 N HIS A 50 13.737 -1.363 4.206 1.00 0.00 ATOM 397 CA HIS A 50 14.584 -0.237 4.536 1.00 0.00 ATOM 398 CB HIS A 50 15.109 -0.327 5.965 1.00 0.00 ATOM 399 CG HIS A 50 15.529 -1.698 6.477 1.00 0.00 ATOM 400 CD2 HIS A 50 16.754 -2.216 6.465 1.00 0.00 ATOM 401 ND1 HIS A 50 14.709 -2.570 7.050 1.00 0.00 ATOM 402 CE1 HIS A 50 15.412 -3.653 7.359 1.00 0.00 ATOM 403 NE2 HIS A 50 16.682 -3.428 7.009 1.00 0.00 ATOM 404 O HIS A 50 16.753 -0.670 3.660 1.00 0.00 ATOM 405 C HIS A 50 15.730 -0.003 3.581 1.00 0.00 ATOM 406 N TYR A 51 15.550 1.060 2.700 1.00 0.00 ATOM 407 CA TYR A 51 16.616 1.449 1.802 1.00 0.00 ATOM 408 CB TYR A 51 16.021 2.197 0.610 1.00 0.00 ATOM 409 CG TYR A 51 16.998 2.490 -0.528 1.00 0.00 ATOM 410 CD1 TYR A 51 17.853 1.527 -1.080 1.00 0.00 ATOM 411 CD2 TYR A 51 17.013 3.783 -1.032 1.00 0.00 ATOM 412 CE1 TYR A 51 18.716 1.881 -2.101 1.00 0.00 ATOM 413 CE2 TYR A 51 17.890 4.142 -2.049 1.00 0.00 ATOM 414 CZ TYR A 51 18.736 3.185 -2.590 1.00 0.00 ATOM 415 OH TYR A 51 19.456 3.492 -3.702 1.00 0.00 ATOM 416 O TYR A 51 17.287 3.514 2.901 1.00 0.00 ATOM 417 C TYR A 51 17.542 2.346 2.628 1.00 0.00 ATOM 418 N SER A 52 18.546 1.740 3.200 1.00 0.00 ATOM 419 CA SER A 52 19.555 2.375 4.066 1.00 0.00 ATOM 420 CB SER A 52 20.602 1.331 4.460 1.00 0.00 ATOM 421 OG SER A 52 21.335 0.865 3.337 1.00 0.00 ATOM 422 O SER A 52 20.711 4.428 4.235 1.00 0.00 ATOM 423 C SER A 52 20.279 3.577 3.465 1.00 0.00 ATOM 424 N ASP A 53 20.352 3.613 2.121 1.00 0.00 ATOM 425 CA ASP A 53 21.039 4.677 1.363 1.00 0.00 ATOM 426 CB ASP A 53 21.043 4.370 -0.146 1.00 0.00 ATOM 427 CG ASP A 53 21.947 3.181 -0.523 1.00 0.00 ATOM 428 OD1 ASP A 53 22.740 2.742 0.350 1.00 0.00 ATOM 429 OD2 ASP A 53 21.774 2.642 -1.629 1.00 0.00 ATOM 430 O ASP A 53 21.129 7.053 1.407 1.00 0.00 ATOM 431 C ASP A 53 20.424 6.052 1.564 1.00 0.00 ATOM 432 N ASP A 54 19.168 6.092 1.881 1.00 0.00 ATOM 433 CA ASP A 54 18.439 7.333 2.184 1.00 0.00 ATOM 434 CB ASP A 54 17.778 7.871 0.898 1.00 0.00 ATOM 435 CG ASP A 54 16.690 6.975 0.296 1.00 0.00 ATOM 436 OD1 ASP A 54 16.185 6.100 1.026 1.00 0.00 ATOM 437 OD2 ASP A 54 16.307 7.257 -0.853 1.00 0.00 ATOM 438 O ASP A 54 17.217 5.915 3.740 1.00 0.00 ATOM 439 C ASP A 54 17.331 7.028 3.210 1.00 0.00 ATOM 440 N ARG A 55 16.609 8.070 3.589 1.00 0.00 ATOM 441 CA ARG A 55 15.421 7.936 4.440 1.00 0.00 ATOM 442 CB ARG A 55 14.548 9.159 4.296 1.00 0.00 ATOM 443 CG ARG A 55 14.226 9.726 2.929 1.00 0.00 ATOM 444 CD ARG A 55 14.184 11.195 2.874 1.00 0.00 ATOM 445 NE ARG A 55 15.343 11.927 3.309 1.00 0.00 ATOM 446 CZ ARG A 55 16.498 12.082 2.634 1.00 0.00 ATOM 447 NH1 ARG A 55 16.730 11.435 1.524 1.00 0.00 ATOM 448 NH2 ARG A 55 17.405 12.888 3.157 1.00 0.00 ATOM 449 O ARG A 55 14.446 6.859 2.715 1.00 0.00 ATOM 450 C ARG A 55 14.526 6.794 3.945 1.00 0.00 ATOM 451 N PRO A 56 14.593 5.651 4.759 1.00 0.00 ATOM 452 CA PRO A 56 14.779 4.298 4.244 1.00 0.00 ATOM 453 CB PRO A 56 15.203 3.511 5.470 1.00 0.00 ATOM 454 CG PRO A 56 14.483 4.177 6.642 1.00 0.00 ATOM 455 CD PRO A 56 14.532 5.648 6.235 1.00 0.00 ATOM 456 O PRO A 56 13.878 2.922 2.576 1.00 0.00 ATOM 457 C PRO A 56 13.617 3.615 3.556 1.00 0.00 ATOM 458 N HIS A 57 12.526 3.402 4.397 1.00 0.00 ATOM 459 CA HIS A 57 11.625 2.279 4.159 1.00 0.00 ATOM 460 CB HIS A 57 10.833 1.970 5.430 1.00 0.00 ATOM 461 CG HIS A 57 10.169 0.600 5.324 1.00 0.00 ATOM 462 CD2 HIS A 57 8.890 0.385 5.031 1.00 0.00 ATOM 463 ND1 HIS A 57 10.759 -0.563 5.568 1.00 0.00 ATOM 464 CE1 HIS A 57 9.813 -1.488 5.500 1.00 0.00 ATOM 465 NE2 HIS A 57 8.673 -0.921 5.123 1.00 0.00 ATOM 466 O HIS A 57 10.216 3.625 2.756 1.00 0.00 ATOM 467 C HIS A 57 10.787 2.547 2.898 1.00 0.00 ATOM 468 N LEU A 58 10.867 1.621 1.985 1.00 0.00 ATOM 469 CA LEU A 58 10.135 1.778 0.732 1.00 0.00 ATOM 470 CB LEU A 58 11.053 1.419 -0.414 1.00 0.00 ATOM 471 CG LEU A 58 12.239 2.374 -0.592 1.00 0.00 ATOM 472 CD1 LEU A 58 13.132 1.898 -1.736 1.00 0.00 ATOM 473 CD2 LEU A 58 11.767 3.799 -0.846 1.00 0.00 ATOM 474 O LEU A 58 9.109 -0.337 1.281 1.00 0.00 ATOM 475 C LEU A 58 8.982 0.780 0.781 1.00 0.00 ATOM 476 N TYR A 59 7.848 1.257 0.303 1.00 0.00 ATOM 477 CA TYR A 59 6.649 0.440 0.150 1.00 0.00 ATOM 478 CB TYR A 59 5.412 1.109 0.766 1.00 0.00 ATOM 479 CG TYR A 59 5.412 1.206 2.283 1.00 0.00 ATOM 480 CD1 TYR A 59 5.226 0.064 3.035 1.00 0.00 ATOM 481 CD2 TYR A 59 5.529 2.439 2.888 1.00 0.00 ATOM 482 CE1 TYR A 59 5.148 0.161 4.408 1.00 0.00 ATOM 483 CE2 TYR A 59 5.449 2.540 4.262 1.00 0.00 ATOM 484 CZ TYR A 59 5.260 1.405 5.000 1.00 0.00 ATOM 485 OH TYR A 59 5.186 1.495 6.374 1.00 0.00 ATOM 486 O TYR A 59 6.786 1.063 -2.120 1.00 0.00 ATOM 487 C TYR A 59 6.453 0.177 -1.342 1.00 0.00 ATOM 488 N LYS A 60 6.325 -1.093 -1.707 1.00 0.00 ATOM 489 CA LYS A 60 6.132 -1.482 -3.116 1.00 0.00 ATOM 490 CB LYS A 60 7.416 -2.103 -3.685 1.00 0.00 ATOM 491 CG LYS A 60 7.294 -2.387 -5.186 1.00 0.00 ATOM 492 CD LYS A 60 8.588 -3.001 -5.699 1.00 0.00 ATOM 493 CE LYS A 60 8.449 -3.206 -7.203 1.00 0.00 ATOM 494 NZ LYS A 60 9.673 -3.774 -7.737 1.00 0.00 ATOM 495 O LYS A 60 4.946 -3.495 -2.652 1.00 0.00 ATOM 496 C LYS A 60 4.944 -2.431 -3.257 1.00 0.00 ATOM 497 N LEU A 61 4.060 -2.085 -4.183 1.00 0.00 ATOM 498 CA LEU A 61 2.900 -2.920 -4.567 1.00 0.00 ATOM 499 CB LEU A 61 1.997 -2.215 -5.581 1.00 0.00 ATOM 500 CG LEU A 61 0.519 -2.619 -5.453 1.00 0.00 ATOM 501 CD1 LEU A 61 -0.114 -1.754 -4.386 1.00 0.00 ATOM 502 CD2 LEU A 61 -0.292 -2.268 -6.688 1.00 0.00 ATOM 503 O LEU A 61 3.872 -4.017 -6.490 1.00 0.00 ATOM 504 C LEU A 61 3.327 -4.135 -5.378 1.00 0.00 ATOM 505 N GLY A 62 2.966 -5.314 -4.925 1.00 0.00 ATOM 506 CA GLY A 62 3.296 -6.536 -5.593 1.00 0.00 ATOM 507 O GLY A 62 1.384 -6.051 -6.900 1.00 0.00 ATOM 508 C GLY A 62 2.380 -6.760 -6.784 1.00 0.00 ATOM 509 N PRO A 63 2.852 -7.542 -7.802 1.00 0.00 ATOM 510 CA PRO A 63 2.031 -7.819 -8.991 1.00 0.00 ATOM 511 CB PRO A 63 2.920 -8.812 -9.757 1.00 0.00 ATOM 512 CG PRO A 63 4.315 -8.437 -9.355 1.00 0.00 ATOM 513 CD PRO A 63 4.175 -8.213 -7.879 1.00 0.00 ATOM 514 O PRO A 63 -0.290 -8.028 -9.187 1.00 0.00 ATOM 515 C PRO A 63 0.689 -8.327 -8.536 1.00 0.00 ATOM 516 N GLU A 64 0.606 -9.137 -7.449 1.00 0.00 ATOM 517 CA GLU A 64 -0.659 -9.688 -6.971 1.00 0.00 ATOM 518 CB GLU A 64 -0.405 -10.620 -5.808 1.00 0.00 ATOM 519 CG GLU A 64 0.215 -11.946 -6.226 1.00 0.00 ATOM 520 CD GLU A 64 0.637 -12.777 -5.025 1.00 0.00 ATOM 521 OE1 GLU A 64 0.564 -12.238 -3.895 1.00 0.00 ATOM 522 OE2 GLU A 64 1.148 -13.891 -5.275 1.00 0.00 ATOM 523 O GLU A 64 -2.753 -8.485 -6.887 1.00 0.00 ATOM 524 C GLU A 64 -1.562 -8.533 -6.512 1.00 0.00 ATOM 525 N LEU A 65 -0.975 -7.554 -5.804 1.00 0.00 ATOM 526 CA LEU A 65 -1.782 -6.396 -5.404 1.00 0.00 ATOM 527 CB LEU A 65 -1.088 -5.548 -4.347 1.00 0.00 ATOM 528 CG LEU A 65 -1.989 -4.462 -3.729 1.00 0.00 ATOM 529 CD1 LEU A 65 -3.377 -4.961 -3.343 1.00 0.00 ATOM 530 CD2 LEU A 65 -1.385 -3.935 -2.431 1.00 0.00 ATOM 531 O LEU A 65 -3.325 -5.034 -6.663 1.00 0.00 ATOM 532 C LEU A 65 -2.199 -5.554 -6.623 1.00 0.00 ATOM 533 N THR A 66 -1.316 -5.459 -7.646 1.00 0.00 ATOM 534 CA THR A 66 -1.629 -4.723 -8.886 1.00 0.00 ATOM 535 CB THR A 66 -0.406 -4.709 -9.804 1.00 0.00 ATOM 536 CG2 THR A 66 -0.653 -3.963 -11.121 1.00 0.00 ATOM 537 OG1 THR A 66 0.694 -4.071 -9.161 1.00 0.00 ATOM 538 O THR A 66 -3.668 -4.672 -10.101 1.00 0.00 ATOM 539 C THR A 66 -2.817 -5.374 -9.585 1.00 0.00 ATOM 540 N GLU A 67 -2.883 -6.697 -9.582 1.00 0.00 ATOM 541 CA GLU A 67 -4.025 -7.408 -10.202 1.00 0.00 ATOM 542 CB GLU A 67 -3.779 -8.902 -10.032 1.00 0.00 ATOM 543 CG GLU A 67 -2.783 -9.448 -11.050 1.00 0.00 ATOM 544 CD GLU A 67 -2.601 -10.965 -10.876 1.00 0.00 ATOM 545 OE1 GLU A 67 -3.430 -11.625 -10.216 1.00 0.00 ATOM 546 OE2 GLU A 67 -1.670 -11.489 -11.519 1.00 0.00 ATOM 547 O GLU A 67 -6.371 -6.931 -10.175 1.00 0.00 ATOM 548 C GLU A 67 -5.336 -7.088 -9.507 1.00 0.00 ATOM 549 N LYS A 68 -5.346 -7.042 -8.162 1.00 0.00 ATOM 550 CA LYS A 68 -6.552 -6.671 -7.444 1.00 0.00 ATOM 551 CB LYS A 68 -6.159 -6.661 -5.960 1.00 0.00 ATOM 552 CG LYS A 68 -7.353 -6.256 -5.113 1.00 0.00 ATOM 553 CD LYS A 68 -7.056 -6.217 -3.628 1.00 0.00 ATOM 554 CE LYS A 68 -8.342 -5.853 -2.913 1.00 0.00 ATOM 555 NZ LYS A 68 -8.042 -6.042 -1.502 1.00 0.00 ATOM 556 O LYS A 68 -8.283 -5.115 -7.974 1.00 0.00 ATOM 557 C LYS A 68 -7.081 -5.301 -7.855 1.00 0.00 ATOM 558 N GLY A 69 -6.173 -4.324 -8.088 1.00 0.00 ATOM 559 CA GLY A 69 -6.553 -2.994 -8.532 1.00 0.00 ATOM 560 O GLY A 69 -8.216 -2.281 -10.125 1.00 0.00 ATOM 561 C GLY A 69 -7.245 -3.023 -9.877 1.00 0.00 ATOM 562 N GLU A 70 -6.729 -3.894 -10.805 1.00 0.00 ATOM 563 CA GLU A 70 -7.326 -4.015 -12.142 1.00 0.00 ATOM 564 CB GLU A 70 -6.559 -5.090 -12.891 1.00 0.00 ATOM 565 CG GLU A 70 -5.236 -4.576 -13.430 1.00 0.00 ATOM 566 CD GLU A 70 -4.391 -5.672 -14.074 1.00 0.00 ATOM 567 OE1 GLU A 70 -4.883 -6.810 -14.203 1.00 0.00 ATOM 568 OE2 GLU A 70 -3.237 -5.314 -14.417 1.00 0.00 ATOM 569 O GLU A 70 -9.627 -4.095 -12.741 1.00 0.00 ATOM 570 C GLU A 70 -8.763 -4.512 -11.999 1.00 0.00 ATOM 571 N ASN A 71 -8.996 -5.411 -11.059 1.00 0.00 ATOM 572 CA ASN A 71 -10.369 -5.866 -10.825 1.00 0.00 ATOM 573 CB ASN A 71 -10.318 -6.858 -9.686 1.00 0.00 ATOM 574 CG ASN A 71 -9.735 -8.162 -10.199 1.00 0.00 ATOM 575 ND2 ASN A 71 -9.260 -8.976 -9.298 1.00 0.00 ATOM 576 OD1 ASN A 71 -9.835 -8.472 -11.368 1.00 0.00 ATOM 577 O ASN A 71 -12.461 -4.675 -10.894 1.00 0.00 ATOM 578 C ASN A 71 -11.330 -4.751 -10.407 1.00 0.00 ATOM 579 N TYR A 72 -10.883 -3.897 -9.521 1.00 0.00 ATOM 580 CA TYR A 72 -11.683 -2.721 -9.198 1.00 0.00 ATOM 581 CB TYR A 72 -10.918 -1.951 -8.121 1.00 0.00 ATOM 582 CG TYR A 72 -11.874 -1.119 -7.272 1.00 0.00 ATOM 583 CD1 TYR A 72 -12.549 -1.698 -6.200 1.00 0.00 ATOM 584 CD2 TYR A 72 -12.129 0.196 -7.616 1.00 0.00 ATOM 585 CE1 TYR A 72 -13.521 -0.980 -5.523 1.00 0.00 ATOM 586 CE2 TYR A 72 -13.071 0.922 -6.917 1.00 0.00 ATOM 587 CZ TYR A 72 -13.787 0.324 -5.894 1.00 0.00 ATOM 588 OH TYR A 72 -14.856 1.006 -5.391 1.00 0.00 ATOM 589 O TYR A 72 -13.195 -1.409 -10.524 1.00 0.00 ATOM 590 C TYR A 72 -12.058 -1.869 -10.414 1.00 0.00 ATOM 591 N LEU A 73 -11.122 -1.655 -11.357 1.00 0.00 ATOM 592 CA LEU A 73 -11.399 -0.866 -12.555 1.00 0.00 ATOM 593 CB LEU A 73 -10.118 -0.775 -13.383 1.00 0.00 ATOM 594 CG LEU A 73 -10.311 -0.006 -14.701 1.00 0.00 ATOM 595 CD1 LEU A 73 -10.611 1.462 -14.461 1.00 0.00 ATOM 596 CD2 LEU A 73 -9.035 -0.072 -15.521 1.00 0.00 ATOM 597 O LEU A 73 -13.400 -0.727 -13.895 1.00 0.00 ATOM 598 C LEU A 73 -12.545 -1.456 -13.392 1.00 0.00 ATOM 599 N LYS A 74 -12.618 -2.781 -13.409 1.00 0.00 ATOM 600 CA LYS A 74 -13.640 -3.497 -14.190 1.00 0.00 ATOM 601 CB LYS A 74 -13.209 -4.941 -14.367 1.00 0.00 ATOM 602 CG LYS A 74 -12.105 -5.050 -15.419 1.00 0.00 ATOM 603 CD LYS A 74 -11.835 -6.518 -15.685 1.00 0.00 ATOM 604 CE LYS A 74 -10.537 -6.696 -16.424 1.00 0.00 ATOM 605 NZ LYS A 74 -10.289 -8.119 -16.556 1.00 0.00 ATOM 606 O LYS A 74 -16.039 -3.527 -14.415 1.00 0.00 ATOM 607 C LYS A 74 -15.079 -3.356 -13.654 1.00 0.00 ATOM 608 N GLU A 75 -15.224 -2.993 -12.381 1.00 0.00 ATOM 609 CA GLU A 75 -16.547 -2.704 -11.782 1.00 0.00 ATOM 610 CB GLU A 75 -16.725 -3.418 -10.438 1.00 0.00 ATOM 611 CG GLU A 75 -16.850 -4.941 -10.580 1.00 0.00 ATOM 612 CD GLU A 75 -18.159 -5.471 -11.169 1.00 0.00 ATOM 613 OE1 GLU A 75 -18.948 -4.688 -11.729 1.00 0.00 ATOM 614 OE2 GLU A 75 -18.342 -6.705 -11.103 1.00 0.00 ATOM 615 O GLU A 75 -17.829 -0.839 -10.969 1.00 0.00 ATOM 616 C GLU A 75 -16.810 -1.218 -11.537 1.00 0.00 ATOM 617 N ASN A 76 -15.912 -0.354 -12.003 1.00 0.00 ATOM 618 CA ASN A 76 -16.076 1.105 -11.858 1.00 0.00 ATOM 619 CB ASN A 76 -14.800 1.756 -12.369 1.00 0.00 ATOM 620 CG ASN A 76 -13.626 1.589 -11.401 1.00 0.00 ATOM 621 ND2 ASN A 76 -12.468 1.962 -11.879 1.00 0.00 ATOM 622 OD1 ASN A 76 -13.718 1.258 -10.228 1.00 0.00 ATOM 623 O ASN A 76 -18.139 2.341 -12.109 1.00 0.00 ATOM 624 C ASN A 76 -17.281 1.650 -12.642 1.00 0.00 ATOM 625 N GLY A 77 -17.359 1.222 -13.898 1.00 0.00 ATOM 626 CA GLY A 77 -18.503 1.503 -14.779 1.00 0.00 ATOM 627 O GLY A 77 -20.824 1.613 -14.158 1.00 0.00 ATOM 628 C GLY A 77 -19.808 0.929 -14.202 1.00 0.00 ATOM 629 N THR A 78 -19.731 -0.322 -13.750 1.00 0.00 ATOM 630 CA THR A 78 -20.876 -1.002 -13.106 1.00 0.00 ATOM 631 CB THR A 78 -20.559 -2.368 -12.655 1.00 0.00 ATOM 632 CG2 THR A 78 -21.782 -3.035 -12.062 1.00 0.00 ATOM 633 OG1 THR A 78 -20.124 -3.112 -13.803 1.00 0.00 ATOM 634 O THR A 78 -22.502 -0.219 -11.526 1.00 0.00 ATOM 635 C THR A 78 -21.318 -0.267 -11.829 1.00 0.00 ATOM 636 N TRP A 79 -20.348 0.162 -11.028 1.00 0.00 ATOM 637 CA TRP A 79 -20.598 0.912 -9.787 1.00 0.00 ATOM 638 CB TRP A 79 -19.243 1.171 -9.116 1.00 0.00 ATOM 639 CG TRP A 79 -19.324 1.809 -7.735 1.00 0.00 ATOM 640 CD1 TRP A 79 -19.717 3.058 -7.511 1.00 0.00 ATOM 641 CD2 TRP A 79 -19.001 1.245 -6.502 1.00 0.00 ATOM 642 CE2 TRP A 79 -19.246 2.227 -5.566 1.00 0.00 ATOM 643 CE3 TRP A 79 -18.456 0.026 -6.110 1.00 0.00 ATOM 644 NE1 TRP A 79 -19.675 3.314 -6.208 1.00 0.00 ATOM 645 CZ2 TRP A 79 -18.973 2.006 -4.225 1.00 0.00 ATOM 646 CZ3 TRP A 79 -18.181 -0.189 -4.762 1.00 0.00 ATOM 647 CH2 TRP A 79 -18.437 0.802 -3.827 1.00 0.00 ATOM 648 O TRP A 79 -22.363 2.602 -9.471 1.00 0.00 ATOM 649 C TRP A 79 -21.403 2.195 -10.118 1.00 0.00 ATOM 650 N SER A 80 -21.046 2.820 -11.223 1.00 0.00 ATOM 651 CA SER A 80 -21.839 3.949 -11.754 1.00 0.00 ATOM 652 CB SER A 80 -21.208 4.512 -13.038 1.00 0.00 ATOM 653 OG SER A 80 -19.905 4.971 -12.716 1.00 0.00 ATOM 654 O SER A 80 -24.270 4.213 -11.702 1.00 0.00 ATOM 655 C SER A 80 -23.287 3.522 -12.041 1.00 0.00 ATOM 656 N LYS A 81 -23.438 2.347 -12.657 1.00 0.00 ATOM 657 CA LYS A 81 -24.766 1.853 -12.999 1.00 0.00 ATOM 658 CB LYS A 81 -24.630 0.566 -13.804 1.00 0.00 ATOM 659 CG LYS A 81 -24.064 0.833 -15.186 1.00 0.00 ATOM 660 CD LYS A 81 -23.968 -0.502 -15.925 1.00 0.00 ATOM 661 CE LYS A 81 -23.307 -0.291 -17.273 1.00 0.00 ATOM 662 NZ LYS A 81 -23.232 -1.533 -18.051 1.00 0.00 ATOM 663 O LYS A 81 -26.744 2.044 -11.662 1.00 0.00 ATOM 664 C LYS A 81 -25.614 1.574 -11.741 1.00 0.00 ATOM 665 N ALA A 82 -24.996 0.964 -10.734 1.00 0.00 ATOM 666 CA ALA A 82 -25.692 0.704 -9.451 1.00 0.00 ATOM 667 CB ALA A 82 -24.820 -0.153 -8.527 1.00 0.00 ATOM 668 O ALA A 82 -27.109 2.020 -7.996 1.00 0.00 ATOM 669 C ALA A 82 -26.102 1.988 -8.700 1.00 0.00 ATOM 670 N TYR A 83 -25.312 3.045 -8.906 1.00 0.00 ATOM 671 CA TYR A 83 -25.570 4.421 -8.417 1.00 0.00 ATOM 672 CB TYR A 83 -24.557 5.325 -9.107 1.00 0.00 ATOM 673 CG TYR A 83 -24.633 6.796 -8.718 1.00 0.00 ATOM 674 CD1 TYR A 83 -23.749 7.170 -7.720 1.00 0.00 ATOM 675 CD2 TYR A 83 -25.437 7.752 -9.345 1.00 0.00 ATOM 676 CE1 TYR A 83 -23.675 8.488 -7.363 1.00 0.00 ATOM 677 CE2 TYR A 83 -25.363 9.089 -8.962 1.00 0.00 ATOM 678 CZ TYR A 83 -24.468 9.454 -7.962 1.00 0.00 ATOM 679 OH TYR A 83 -24.326 10.735 -7.589 1.00 0.00 ATOM 680 O TYR A 83 -27.616 5.632 -8.161 1.00 0.00 ATOM 681 C TYR A 83 -26.906 4.968 -8.904 1.00 0.00 ATOM 682 N LYS A 84 -27.250 4.628 -10.162 1.00 0.00 ATOM 683 CA LYS A 84 -28.488 5.095 -10.771 1.00 0.00 ATOM 684 CB LYS A 84 -28.549 4.691 -12.226 1.00 0.00 ATOM 685 CG LYS A 84 -27.657 5.614 -13.046 1.00 0.00 ATOM 686 CD LYS A 84 -27.615 5.163 -14.498 1.00 0.00 ATOM 687 CE LYS A 84 -26.685 6.008 -15.377 1.00 0.00 ATOM 688 NZ LYS A 84 -26.572 5.481 -16.779 1.00 0.00 ATOM 689 O LYS A 84 -30.690 5.182 -9.815 1.00 0.00 ATOM 690 C LYS A 84 -29.710 4.482 -10.058 1.00 0.00 ATOM 691 N THR A 85 -29.627 3.214 -9.644 1.00 0.00 ATOM 692 CA THR A 85 -30.740 2.577 -8.938 1.00 0.00 ATOM 693 CB THR A 85 -30.652 1.066 -8.897 1.00 0.00 ATOM 694 CG2 THR A 85 -30.358 0.482 -10.287 1.00 0.00 ATOM 695 OG1 THR A 85 -29.567 0.658 -8.053 1.00 0.00 ATOM 696 O THR A 85 -32.060 3.423 -7.125 1.00 0.00 ATOM 697 C THR A 85 -30.933 3.197 -7.558 1.00 0.00 ATOM 698 N ILE A 86 -29.824 3.535 -6.859 1.00 0.00 ATOM 699 CA ILE A 86 -29.895 4.156 -5.537 1.00 0.00 ATOM 700 CB ILE A 86 -28.473 4.335 -5.010 1.00 0.00 ATOM 701 CG1 ILE A 86 -27.942 2.955 -4.544 1.00 0.00 ATOM 702 CG2 ILE A 86 -28.402 5.350 -3.882 1.00 0.00 ATOM 703 CD1 ILE A 86 -26.436 2.951 -4.366 1.00 0.00 ATOM 704 O ILE A 86 -31.336 5.906 -4.780 1.00 0.00 ATOM 705 C ILE A 86 -30.552 5.524 -5.642 1.00 0.00 ATOM 706 N LYS A 87 -30.189 6.276 -6.677 1.00 0.00 ATOM 707 CA LYS A 87 -30.756 7.622 -6.860 1.00 0.00 ATOM 708 CB LYS A 87 -30.054 8.243 -8.071 1.00 0.00 ATOM 709 CG LYS A 87 -30.517 9.682 -8.270 1.00 0.00 ATOM 710 CD LYS A 87 -29.696 10.390 -9.344 1.00 0.00 ATOM 711 CE LYS A 87 -30.150 11.834 -9.402 1.00 0.00 ATOM 712 NZ LYS A 87 -29.581 12.451 -10.597 1.00 0.00 ATOM 713 O LYS A 87 -33.004 8.385 -6.488 1.00 0.00 ATOM 714 C LYS A 87 -32.268 7.583 -7.062 1.00 0.00 ATOM 715 N GLU A 88 -32.748 6.607 -7.800 1.00 0.00 ATOM 716 CA GLU A 88 -34.177 6.505 -8.056 1.00 0.00 ATOM 717 CB GLU A 88 -34.356 5.376 -9.052 1.00 0.00 ATOM 718 CG GLU A 88 -35.818 5.315 -9.488 1.00 0.00 ATOM 719 CD GLU A 88 -36.094 4.342 -10.625 1.00 0.00 ATOM 720 OE1 GLU A 88 -35.131 3.767 -11.173 1.00 0.00 ATOM 721 OE2 GLU A 88 -37.312 4.179 -10.875 1.00 0.00 ATOM 722 O GLU A 88 -35.904 6.819 -6.424 1.00 0.00 ATOM 723 C GLU A 88 -34.920 6.170 -6.771 1.00 0.00 ATOM 724 N ILE A 89 -34.406 5.205 -6.053 1.00 0.00 ATOM 725 CA ILE A 89 -35.027 4.792 -4.802 1.00 0.00 ATOM 726 CB ILE A 89 -34.260 3.579 -4.329 1.00 0.00 ATOM 727 CG1 ILE A 89 -34.619 2.375 -5.189 1.00 0.00 ATOM 728 CG2 ILE A 89 -34.685 3.330 -2.911 1.00 0.00 ATOM 729 CD1 ILE A 89 -33.882 1.099 -4.844 1.00 0.00 ATOM 730 O ILE A 89 -35.879 6.054 -2.929 1.00 0.00 ATOM 731 C ILE A 89 -34.974 5.913 -3.740 1.00 0.00 ATOM 732 N LYS A 90 -33.818 6.541 -3.604 1.00 0.00 ATOM 733 CA LYS A 90 -33.647 7.668 -2.702 1.00 0.00 ATOM 734 CB LYS A 90 -32.228 8.189 -2.838 1.00 0.00 ATOM 735 CG LYS A 90 -31.984 9.400 -1.936 1.00 0.00 ATOM 736 CD LYS A 90 -30.563 9.886 -2.087 1.00 0.00 ATOM 737 CE LYS A 90 -30.382 11.133 -1.254 1.00 0.00 ATOM 738 NZ LYS A 90 -29.074 11.675 -1.607 1.00 0.00 ATOM 739 O LYS A 90 -35.316 9.259 -2.032 1.00 0.00 ATOM 740 C LYS A 90 -34.712 8.728 -2.965 1.00 0.00 ATOM 741 N ASP A 91 -34.945 9.067 -4.261 1.00 0.00 ATOM 742 CA ASP A 91 -35.939 10.064 -4.630 1.00 0.00 ATOM 743 CB ASP A 91 -36.006 10.251 -6.137 1.00 0.00 ATOM 744 CG ASP A 91 -37.014 11.320 -6.500 1.00 0.00 ATOM 745 OD1 ASP A 91 -36.899 12.383 -5.902 1.00 0.00 ATOM 746 OD2 ASP A 91 -37.915 11.159 -7.335 1.00 0.00 ATOM 747 O ASP A 91 -38.071 10.401 -3.586 1.00 0.00 ATOM 748 C ASP A 91 -37.333 9.622 -4.179 1.00 0.00 ATOM 749 N TRP A 92 -37.685 8.317 -4.332 1.00 0.00 ATOM 750 CA TRP A 92 -38.990 7.848 -3.901 1.00 0.00 ATOM 751 CB TRP A 92 -39.154 6.447 -4.512 1.00 0.00 ATOM 752 CG TRP A 92 -40.434 5.731 -4.078 1.00 0.00 ATOM 753 CD1 TRP A 92 -41.698 5.977 -4.452 1.00 0.00 ATOM 754 CD2 TRP A 92 -40.469 4.741 -3.123 1.00 0.00 ATOM 755 CE2 TRP A 92 -41.799 4.391 -2.983 1.00 0.00 ATOM 756 CE3 TRP A 92 -39.479 4.083 -2.391 1.00 0.00 ATOM 757 NE1 TRP A 92 -42.519 5.164 -3.784 1.00 0.00 ATOM 758 CZ2 TRP A 92 -42.151 3.355 -2.150 1.00 0.00 ATOM 759 CZ3 TRP A 92 -39.842 3.065 -1.529 1.00 0.00 ATOM 760 CH2 TRP A 92 -41.180 2.706 -1.416 1.00 0.00 ATOM 761 O TRP A 92 -40.144 8.329 -1.855 1.00 0.00 ATOM 762 C TRP A 92 -39.137 7.858 -2.388 1.00 0.00 ATOM 763 N ILE A 93 -38.149 7.341 -1.696 1.00 0.00 ATOM 764 CA ILE A 93 -38.183 7.289 -0.237 1.00 0.00 ATOM 765 CB ILE A 93 -36.897 6.493 0.272 1.00 0.00 ATOM 766 CG1 ILE A 93 -37.008 5.004 -0.095 1.00 0.00 ATOM 767 CG2 ILE A 93 -36.729 6.687 1.781 1.00 0.00 ATOM 768 CD1 ILE A 93 -35.800 4.178 0.265 1.00 0.00 ATOM 769 O ILE A 93 -38.959 8.906 1.337 1.00 0.00 ATOM 770 C ILE A 93 -38.236 8.678 0.374 1.00 0.00 ATOM 771 N LYS A 94 -37.421 9.587 -0.150 1.00 0.00 ATOM 772 CA LYS A 94 -37.394 10.945 0.353 1.00 0.00 ATOM 773 CB LYS A 94 -36.295 11.728 -0.469 1.00 0.00 ATOM 774 CG LYS A 94 -36.248 13.206 -0.043 1.00 0.00 ATOM 775 CD LYS A 94 -35.086 13.946 -0.655 1.00 0.00 ATOM 776 CE LYS A 94 -35.111 15.422 -0.342 1.00 0.00 ATOM 777 NZ LYS A 94 -33.880 16.090 -0.870 1.00 0.00 ATOM 778 O LYS A 94 -39.149 12.191 1.210 1.00 0.00 ATOM 779 C LYS A 94 -38.768 11.592 0.215 1.00 0.00 ATOM 780 N LEU A 95 -39.425 11.475 -0.921 1.00 0.00 ATOM 781 CA LEU A 95 -40.751 12.040 -1.162 1.00 0.00 ATOM 782 CB LEU A 95 -41.167 11.687 -2.601 1.00 0.00 ATOM 783 CG LEU A 95 -42.593 12.028 -3.018 1.00 0.00 ATOM 784 CD1 LEU A 95 -42.799 13.568 -2.969 1.00 0.00 ATOM 785 CD2 LEU A 95 -42.887 11.492 -4.413 1.00 0.00 ATOM 786 O LEU A 95 -42.530 12.223 0.464 1.00 0.00 ATOM 787 C LEU A 95 -41.777 11.476 -0.165 1.00 0.00 ATOM 788 N GLU A 96 -41.709 10.161 -0.033 1.00 0.00 ATOM 789 CA GLU A 96 -42.635 9.474 0.884 1.00 0.00 ATOM 790 CB GLU A 96 -42.557 7.952 0.693 1.00 0.00 ATOM 791 CG GLU A 96 -43.604 7.254 1.614 1.00 0.00 ATOM 792 CD GLU A 96 -43.375 5.751 1.616 1.00 0.00 ATOM 793 OE1 GLU A 96 -42.499 5.248 0.867 1.00 0.00 ATOM 794 OE2 GLU A 96 -44.036 5.068 2.447 1.00 0.00 ATOM 795 O GLU A 96 -43.374 10.185 3.048 1.00 0.00 ATOM 796 C GLU A 96 -42.416 9.934 2.325 1.00 0.00 ATOM 797 N HIS A 97 -41.155 10.045 2.735 1.00 0.00 ATOM 798 CA HIS A 97 -40.829 10.478 4.094 1.00 0.00 ATOM 799 CB HIS A 97 -39.341 10.550 4.292 1.00 0.00 ATOM 800 CG HIS A 97 -38.923 10.898 5.683 1.00 0.00 ATOM 801 CD2 HIS A 97 -38.268 11.979 6.165 1.00 0.00 ATOM 802 ND1 HIS A 97 -39.116 10.057 6.758 1.00 0.00 ATOM 803 CE1 HIS A 97 -38.612 10.613 7.844 1.00 0.00 ATOM 804 NE2 HIS A 97 -38.094 11.781 7.511 1.00 0.00 ATOM 805 O HIS A 97 -41.884 12.223 5.430 1.00 0.00 ATOM 806 C HIS A 97 -41.338 11.926 4.375 1.00 0.00 ATOM 807 N HIS A 98 -41.182 12.809 3.418 1.00 0.00 ATOM 808 CA HIS A 98 -41.641 14.199 3.535 1.00 0.00 ATOM 809 CB HIS A 98 -41.107 15.054 2.394 1.00 0.00 ATOM 810 CG HIS A 98 -39.646 15.347 2.497 1.00 0.00 ATOM 811 CD2 HIS A 98 -38.625 15.073 1.643 1.00 0.00 ATOM 812 ND1 HIS A 98 -39.063 16.074 3.534 1.00 0.00 ATOM 813 CE1 HIS A 98 -37.741 16.208 3.309 1.00 0.00 ATOM 814 NE2 HIS A 98 -37.475 15.585 2.170 1.00 0.00 ATOM 815 O HIS A 98 -43.703 14.967 4.499 1.00 0.00 ATOM 816 C HIS A 98 -43.155 14.273 3.633 1.00 0.00 ATOM 817 N HIS A 99 -43.843 13.453 2.850 1.00 0.00 ATOM 818 CA HIS A 99 -45.302 13.418 2.889 1.00 0.00 ATOM 819 CB HIS A 99 -45.858 12.512 1.770 1.00 0.00 ATOM 820 CG HIS A 99 -47.299 12.153 1.941 1.00 0.00 ATOM 821 CD2 HIS A 99 -48.434 12.779 1.539 1.00 0.00 ATOM 822 ND1 HIS A 99 -47.709 11.009 2.604 1.00 0.00 ATOM 823 CE1 HIS A 99 -49.032 10.960 2.620 1.00 0.00 ATOM 824 NE2 HIS A 99 -49.497 12.022 1.984 1.00 0.00 ATOM 825 O HIS A 99 -46.706 13.539 4.868 1.00 0.00 ATOM 826 C HIS A 99 -45.815 12.922 4.261 1.00 0.00 ATOM 827 N HIS A 100 -45.198 11.854 4.756 1.00 0.00 ATOM 828 CA HIS A 100 -45.575 11.306 6.054 1.00 0.00 ATOM 829 CB HIS A 100 -44.844 10.071 6.395 1.00 0.00 ATOM 830 CG HIS A 100 -45.475 8.894 5.734 1.00 0.00 ATOM 831 CD2 HIS A 100 -45.264 8.329 4.520 1.00 0.00 ATOM 832 ND1 HIS A 100 -46.563 8.237 6.280 1.00 0.00 ATOM 833 CE1 HIS A 100 -46.955 7.287 5.449 1.00 0.00 ATOM 834 NE2 HIS A 100 -46.186 7.323 4.376 1.00 0.00 ATOM 835 O HIS A 100 -46.214 12.581 8.033 1.00 0.00 ATOM 836 C HIS A 100 -45.351 12.349 7.195 1.00 0.00 ATOM 837 N HIS A 101 -44.200 13.014 7.185 1.00 0.00 ATOM 838 CA HIS A 101 -43.872 14.047 8.176 1.00 0.00 ATOM 839 CB HIS A 101 -42.393 14.495 7.990 1.00 0.00 ATOM 840 CG HIS A 101 -41.783 15.228 9.161 1.00 0.00 ATOM 841 CD2 HIS A 101 -42.325 16.101 10.055 1.00 0.00 ATOM 842 ND1 HIS A 101 -40.445 15.159 9.486 1.00 0.00 ATOM 843 CE1 HIS A 101 -40.208 15.975 10.542 1.00 0.00 ATOM 844 NE2 HIS A 101 -41.315 16.576 10.936 1.00 0.00 ATOM 845 O HIS A 101 -45.122 15.925 9.102 1.00 0.00 ATOM 846 C HIS A 101 -44.849 15.256 8.089 1.00 0.00 ATOM 847 N HIS A 102 -45.489 15.433 6.927 1.00 0.00 ATOM 848 CA HIS A 102 -46.437 16.530 6.699 1.00 0.00 ATOM 849 CB HIS A 102 -45.759 17.655 5.895 1.00 0.00 ATOM 850 CG HIS A 102 -44.572 18.260 6.592 1.00 0.00 ATOM 851 CD2 HIS A 102 -43.294 17.826 6.713 1.00 0.00 ATOM 852 ND1 HIS A 102 -44.649 19.421 7.330 1.00 0.00 ATOM 853 CE1 HIS A 102 -43.478 19.671 7.884 1.00 0.00 ATOM 854 NE2 HIS A 102 -42.635 18.719 7.525 1.00 0.00 ATOM 855 O HIS A 102 -48.002 16.422 4.871 1.00 0.00 ATOM 856 C HIS A 102 -47.721 16.027 5.996 1.00 0.00 ENDMDL EXPDTA 2hgcA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hgcA ATOM 1 N LYS 5 -10.778 0.805 4.578 1.00 0.00 ATOM 2 CA LYS 5 -11.189 2.161 4.269 1.00 0.00 ATOM 3 CB LYS 5 -11.594 2.908 5.544 1.00 0.00 ATOM 4 CG LYS 5 -12.149 4.303 5.291 1.00 0.00 ATOM 5 CD LYS 5 -12.417 5.046 6.594 1.00 0.00 ATOM 6 CE LYS 5 -13.480 4.354 7.439 1.00 0.00 ATOM 7 NZ LYS 5 -14.808 4.351 6.772 1.00 0.00 ATOM 8 O LYS 5 -10.189 3.403 2.475 1.00 0.00 ATOM 9 C LYS 5 -10.038 2.879 3.573 1.00 0.00 ATOM 10 N LEU 6 -8.878 2.890 4.219 1.00 0.00 ATOM 11 CA LEU 6 -7.695 3.516 3.641 1.00 0.00 ATOM 12 CB LEU 6 -6.929 4.340 4.688 1.00 0.00 ATOM 13 CG LEU 6 -7.628 5.612 5.191 1.00 0.00 ATOM 14 CD1 LEU 6 -8.225 6.400 4.032 1.00 0.00 ATOM 15 CD2 LEU 6 -8.692 5.279 6.228 1.00 0.00 ATOM 16 O LEU 6 -5.690 2.826 2.528 1.00 0.00 ATOM 17 C LEU 6 -6.759 2.478 3.025 1.00 0.00 ATOM 18 N ARG 7 -7.163 1.209 3.040 1.00 0.00 ATOM 19 CA ARG 7 -6.294 0.135 2.555 1.00 0.00 ATOM 20 CB ARG 7 -6.882 -1.240 2.875 1.00 0.00 ATOM 21 CG ARG 7 -7.344 -1.409 4.315 1.00 0.00 ATOM 22 CD ARG 7 -6.198 -1.436 5.306 1.00 0.00 ATOM 23 NE ARG 7 -6.694 -1.609 6.669 1.00 0.00 ATOM 24 CZ ARG 7 -5.918 -1.652 7.753 1.00 0.00 ATOM 25 NH1 ARG 7 -4.603 -1.584 7.643 1.00 0.00 ATOM 26 NH2 ARG 7 -6.457 -1.767 8.957 1.00 0.00 ATOM 27 O ARG 7 -4.963 0.354 0.571 1.00 0.00 ATOM 28 C ARG 7 -6.093 0.265 1.051 1.00 0.00 ATOM 29 N TYR 8 -7.199 0.284 0.312 1.00 0.00 ATOM 30 CA TYR 8 -7.147 0.469 -1.133 1.00 0.00 ATOM 31 CB TYR 8 -8.546 0.338 -1.752 1.00 0.00 ATOM 32 CG TYR 8 -8.661 1.012 -3.103 1.00 0.00 ATOM 33 CD1 TYR 8 -8.180 0.402 -4.253 1.00 0.00 ATOM 34 CD2 TYR 8 -9.221 2.279 -3.217 1.00 0.00 ATOM 35 CE1 TYR 8 -8.251 1.037 -5.476 1.00 0.00 ATOM 36 CE2 TYR 8 -9.301 2.916 -4.437 1.00 0.00 ATOM 37 CZ TYR 8 -8.812 2.292 -5.562 1.00 0.00 ATOM 38 OH TYR 8 -8.877 2.928 -6.777 1.00 0.00 ATOM 39 O TYR 8 -5.766 1.952 -2.419 1.00 0.00 ATOM 40 C TYR 8 -6.557 1.829 -1.482 1.00 0.00 ATOM 41 N ALA 9 -6.947 2.844 -0.722 1.00 0.00 ATOM 42 CA ALA 9 -6.541 4.211 -1.001 1.00 0.00 ATOM 43 CB ALA 9 -7.182 5.157 0.004 1.00 0.00 ATOM 44 O ALA 9 -4.450 4.956 -1.918 1.00 0.00 ATOM 45 C ALA 9 -5.020 4.348 -1.009 1.00 0.00 ATOM 46 N ILE 10 -4.365 3.753 -0.019 1.00 0.00 ATOM 47 CA ILE 10 -2.912 3.784 0.054 1.00 0.00 ATOM 48 CB ILE 10 -2.408 3.351 1.450 1.00 0.00 ATOM 49 CG1 ILE 10 -2.885 4.353 2.509 1.00 0.00 ATOM 50 CG2 ILE 10 -0.888 3.232 1.466 1.00 0.00 ATOM 51 CD1 ILE 10 -2.423 4.033 3.914 1.00 0.00 ATOM 52 O ILE 10 -1.297 3.275 -1.648 1.00 0.00 ATOM 53 C ILE 10 -2.295 2.901 -1.032 1.00 0.00 ATOM 54 N LEU 11 -2.910 1.744 -1.285 1.00 0.00 ATOM 55 CA LEU 11 -2.451 0.846 -2.347 1.00 0.00 ATOM 56 CB LEU 11 -3.357 -0.379 -2.456 1.00 0.00 ATOM 57 CG LEU 11 -2.875 -1.622 -1.712 1.00 0.00 ATOM 58 CD1 LEU 11 -3.927 -2.717 -1.778 1.00 0.00 ATOM 59 CD2 LEU 11 -1.564 -2.117 -2.299 1.00 0.00 ATOM 60 O LEU 11 -1.444 1.440 -4.443 1.00 0.00 ATOM 61 C LEU 11 -2.411 1.561 -3.692 1.00 0.00 ATOM 62 N LYS 12 -3.466 2.308 -3.987 1.00 0.00 ATOM 63 CA LYS 12 -3.550 3.051 -5.234 1.00 0.00 ATOM 64 CB LYS 12 -4.904 3.743 -5.354 1.00 0.00 ATOM 65 CG LYS 12 -5.107 4.431 -6.693 1.00 0.00 ATOM 66 CD LYS 12 -5.957 5.680 -6.558 1.00 0.00 ATOM 67 CE LYS 12 -5.270 6.725 -5.688 1.00 0.00 ATOM 68 NZ LYS 12 -3.906 7.057 -6.191 1.00 0.00 ATOM 69 O LYS 12 -1.853 4.316 -6.373 1.00 0.00 ATOM 70 C LYS 12 -2.438 4.094 -5.312 1.00 0.00 ATOM 71 N GLU 13 -2.158 4.738 -4.182 1.00 0.00 ATOM 72 CA GLU 13 -1.098 5.740 -4.114 1.00 0.00 ATOM 73 CB GLU 13 -1.094 6.431 -2.751 1.00 0.00 ATOM 74 CG GLU 13 -1.305 7.935 -2.827 1.00 0.00 ATOM 75 CD GLU 13 -2.677 8.312 -3.347 1.00 0.00 ATOM 76 OE1 GLU 13 -3.653 8.233 -2.575 1.00 0.00 ATOM 77 OE2 GLU 13 -2.786 8.704 -4.527 1.00 0.00 ATOM 78 O GLU 13 1.128 5.685 -5.002 1.00 0.00 ATOM 79 C GLU 13 0.258 5.095 -4.369 1.00 0.00 ATOM 80 N ILE 14 0.431 3.880 -3.869 1.00 0.00 ATOM 81 CA ILE 14 1.646 3.116 -4.115 1.00 0.00 ATOM 82 CB ILE 14 1.679 1.821 -3.265 1.00 0.00 ATOM 83 CG1 ILE 14 1.684 2.164 -1.770 1.00 0.00 ATOM 84 CG2 ILE 14 2.890 0.968 -3.623 1.00 0.00 ATOM 85 CD1 ILE 14 1.642 0.951 -0.861 1.00 0.00 ATOM 86 O ILE 14 2.815 2.905 -6.206 1.00 0.00 ATOM 87 C ILE 14 1.755 2.757 -5.596 1.00 0.00 ATOM 88 N PHE 15 0.636 2.320 -6.163 1.00 0.00 ATOM 89 CA PHE 15 0.590 1.844 -7.542 1.00 0.00 ATOM 90 CB PHE 15 -0.831 1.393 -7.888 1.00 0.00 ATOM 91 CG PHE 15 -0.976 0.841 -9.280 1.00 0.00 ATOM 92 CD1 PHE 15 -0.623 -0.469 -9.557 1.00 0.00 ATOM 93 CD2 PHE 15 -1.472 1.630 -10.308 1.00 0.00 ATOM 94 CE1 PHE 15 -0.761 -0.983 -10.832 1.00 0.00 ATOM 95 CE2 PHE 15 -1.610 1.121 -11.585 1.00 0.00 ATOM 96 CZ PHE 15 -1.254 -0.188 -11.847 1.00 0.00 ATOM 97 O PHE 15 1.910 2.643 -9.381 1.00 0.00 ATOM 98 C PHE 15 1.053 2.907 -8.539 1.00 0.00 ATOM 99 N GLU 16 0.497 4.108 -8.441 1.00 0.00 ATOM 100 CA GLU 16 0.815 5.155 -9.408 1.00 0.00 ATOM 101 CB GLU 16 -0.435 5.968 -9.769 1.00 0.00 ATOM 102 CG GLU 16 -1.013 6.779 -8.622 1.00 0.00 ATOM 103 CD GLU 16 -2.192 7.629 -9.056 1.00 0.00 ATOM 104 OE1 GLU 16 -1.974 8.651 -9.739 1.00 0.00 ATOM 105 OE2 GLU 16 -3.344 7.275 -8.718 1.00 0.00 ATOM 106 O GLU 16 2.564 6.779 -9.670 1.00 0.00 ATOM 107 C GLU 16 1.918 6.075 -8.893 1.00 0.00 ATOM 108 N GLY 17 2.134 6.060 -7.582 1.00 0.00 ATOM 109 CA GLY 17 3.155 6.898 -6.985 1.00 0.00 ATOM 110 O GLY 17 5.508 7.153 -7.250 1.00 0.00 ATOM 111 C GLY 17 4.551 6.382 -7.253 1.00 0.00 ATOM 112 N ASN 18 4.657 5.065 -7.452 1.00 0.00 ATOM 113 CA ASN 18 5.920 4.404 -7.811 1.00 0.00 ATOM 114 CB ASN 18 6.589 5.128 -8.995 1.00 0.00 ATOM 115 CG ASN 18 7.780 4.382 -9.576 1.00 0.00 ATOM 116 ND2 ASN 18 7.745 3.060 -9.520 1.00 0.00 ATOM 117 OD1 ASN 18 8.716 4.993 -10.096 1.00 0.00 ATOM 118 O ASN 18 7.949 3.735 -6.708 1.00 0.00 ATOM 119 C ASN 18 6.869 4.317 -6.609 1.00 0.00 ATOM 120 N THR 19 6.423 4.873 -5.475 1.00 0.00 ATOM 121 CA THR 19 7.158 4.876 -4.197 1.00 0.00 ATOM 122 CB THR 19 7.311 3.455 -3.581 1.00 0.00 ATOM 123 CG2 THR 19 5.954 2.892 -3.185 1.00 0.00 ATOM 124 OG1 THR 19 7.955 2.550 -4.483 1.00 0.00 ATOM 125 O THR 19 9.140 5.651 -5.348 1.00 0.00 ATOM 126 C THR 19 8.528 5.569 -4.284 1.00 0.00 ATOM 127 N PRO 20 9.024 6.106 -3.153 1.00 0.00 ATOM 128 CA PRO 20 8.342 6.061 -1.858 1.00 0.00 ATOM 129 CB PRO 20 9.470 6.314 -0.844 1.00 0.00 ATOM 130 CG PRO 20 10.722 6.524 -1.640 1.00 0.00 ATOM 131 CD PRO 20 10.298 6.815 -3.050 1.00 0.00 ATOM 132 O PRO 20 7.231 8.083 -2.521 1.00 0.00 ATOM 133 C PRO 20 7.279 7.150 -1.722 1.00 0.00 ATOM 134 N LEU 21 6.435 7.029 -0.706 1.00 0.00 ATOM 135 CA LEU 21 5.429 8.041 -0.426 1.00 0.00 ATOM 136 CB LEU 21 4.063 7.672 -1.029 1.00 0.00 ATOM 137 CG LEU 21 3.398 6.405 -0.473 1.00 0.00 ATOM 138 CD1 LEU 21 1.894 6.468 -0.679 1.00 0.00 ATOM 139 CD2 LEU 21 3.954 5.164 -1.152 1.00 0.00 ATOM 140 O LEU 21 5.525 7.317 1.855 1.00 0.00 ATOM 141 C LEU 21 5.297 8.243 1.076 1.00 0.00 ATOM 142 N SER 22 4.959 9.458 1.471 1.00 0.00 ATOM 143 CA SER 22 4.773 9.783 2.875 1.00 0.00 ATOM 144 CB SER 22 5.039 11.266 3.117 1.00 0.00 ATOM 145 OG SER 22 4.719 11.673 4.437 1.00 0.00 ATOM 146 O SER 22 2.467 9.211 2.519 1.00 0.00 ATOM 147 C SER 22 3.367 9.446 3.327 1.00 0.00 ATOM 148 N GLU 23 3.192 9.460 4.627 1.00 0.00 ATOM 149 CA GLU 23 1.895 9.211 5.226 1.00 0.00 ATOM 150 CB GLU 23 2.004 8.717 6.680 1.00 0.00 ATOM 151 CG GLU 23 3.424 8.586 7.216 1.00 0.00 ATOM 152 CD GLU 23 4.126 9.919 7.358 1.00 0.00 ATOM 153 OE1 GLU 23 3.788 10.681 8.286 1.00 0.00 ATOM 154 OE2 GLU 23 5.011 10.212 6.527 1.00 0.00 ATOM 155 O GLU 23 -0.098 10.459 4.741 1.00 0.00 ATOM 156 C GLU 23 1.058 10.477 5.170 1.00 0.00 ATOM 157 N ASN 24 1.655 11.585 5.582 1.00 0.00 ATOM 158 CA ASN 24 0.971 12.871 5.558 1.00 0.00 ATOM 159 CB ASN 24 1.805 13.945 6.264 1.00 0.00 ATOM 160 CG ASN 24 1.080 15.277 6.369 1.00 0.00 ATOM 161 ND2 ASN 24 -0.226 15.235 6.596 1.00 0.00 ATOM 162 OD1 ASN 24 1.694 16.338 6.266 1.00 0.00 ATOM 163 O ASN 24 -0.254 13.985 3.819 1.00 0.00 ATOM 164 C ASN 24 0.712 13.284 4.117 1.00 0.00 ATOM 165 N ASP 25 1.574 12.811 3.225 1.00 0.00 ATOM 166 CA ASP 25 1.488 13.152 1.811 1.00 0.00 ATOM 167 CB ASP 25 2.792 12.786 1.100 1.00 0.00 ATOM 168 CG ASP 25 2.939 13.455 -0.253 1.00 0.00 ATOM 169 OD1 ASP 25 2.719 12.785 -1.283 1.00 0.00 ATOM 170 OD2 ASP 25 3.310 14.648 -0.290 1.00 0.00 ATOM 171 O ASP 25 -0.412 13.029 0.353 1.00 0.00 ATOM 172 C ASP 25 0.305 12.439 1.158 1.00 0.00 ATOM 173 N ILE 26 0.091 11.171 1.520 1.00 0.00 ATOM 174 CA ILE 26 -1.059 10.427 1.011 1.00 0.00 ATOM 175 CB ILE 26 -0.866 8.882 1.158 1.00 0.00 ATOM 176 CG1 ILE 26 -2.027 8.092 0.515 1.00 0.00 ATOM 177 CG2 ILE 26 -0.688 8.478 2.614 1.00 0.00 ATOM 178 CD1 ILE 26 -3.233 7.874 1.413 1.00 0.00 ATOM 179 O ILE 26 -3.411 10.941 1.090 1.00 0.00 ATOM 180 C ILE 26 -2.342 10.910 1.702 1.00 0.00 ATOM 181 N GLY 27 -2.226 11.310 2.969 1.00 0.00 ATOM 182 CA GLY 27 -3.360 11.900 3.663 1.00 0.00 ATOM 183 O GLY 27 -4.823 11.344 5.469 1.00 0.00 ATOM 184 C GLY 27 -3.707 11.204 4.970 1.00 0.00 ATOM 185 N VAL 28 -2.760 10.465 5.535 1.00 0.00 ATOM 186 CA VAL 28 -2.998 9.741 6.781 1.00 0.00 ATOM 187 CB VAL 28 -3.119 8.215 6.546 1.00 0.00 ATOM 188 CG1 VAL 28 -4.297 7.898 5.638 1.00 0.00 ATOM 189 CG2 VAL 28 -1.833 7.652 5.962 1.00 0.00 ATOM 190 O VAL 28 -0.903 10.694 7.472 1.00 0.00 ATOM 191 C VAL 28 -1.879 10.009 7.786 1.00 0.00 ATOM 192 N THR 29 -2.027 9.488 8.996 1.00 0.00 ATOM 193 CA THR 29 -0.980 9.597 10.001 1.00 0.00 ATOM 194 CB THR 29 -1.558 9.565 11.432 1.00 0.00 ATOM 195 CG2 THR 29 -2.434 10.783 11.690 1.00 0.00 ATOM 196 OG1 THR 29 -2.325 8.372 11.629 1.00 0.00 ATOM 197 O THR 29 -0.179 7.555 9.026 1.00 0.00 ATOM 198 C THR 29 0.033 8.470 9.831 1.00 0.00 ATOM 199 N GLU 30 1.127 8.535 10.585 1.00 0.00 ATOM 200 CA GLU 30 2.183 7.531 10.497 1.00 0.00 ATOM 201 CB GLU 30 3.295 7.825 11.500 1.00 0.00 ATOM 202 CG GLU 30 3.594 9.297 11.673 1.00 0.00 ATOM 203 CD GLU 30 4.742 9.538 12.625 1.00 0.00 ATOM 204 OE1 GLU 30 4.555 9.344 13.845 1.00 0.00 ATOM 205 OE2 GLU 30 5.832 9.923 12.156 1.00 0.00 ATOM 206 O GLU 30 1.781 5.218 10.007 1.00 0.00 ATOM 207 C GLU 30 1.626 6.149 10.794 1.00 0.00 ATOM 208 N ASP 31 0.960 6.039 11.935 1.00 0.00 ATOM 209 CA ASP 31 0.459 4.761 12.425 1.00 0.00 ATOM 210 CB ASP 31 -0.047 4.911 13.859 1.00 0.00 ATOM 211 CG ASP 31 1.086 4.895 14.868 1.00 0.00 ATOM 212 OD1 ASP 31 1.730 5.946 15.073 1.00 0.00 ATOM 213 OD2 ASP 31 1.349 3.823 15.455 1.00 0.00 ATOM 214 O ASP 31 -0.769 2.966 11.422 1.00 0.00 ATOM 215 C ASP 31 -0.629 4.186 11.522 1.00 0.00 ATOM 216 N GLN 32 -1.387 5.058 10.863 1.00 0.00 ATOM 217 CA GLN 32 -2.406 4.617 9.910 1.00 0.00 ATOM 218 CB GLN 32 -3.313 5.783 9.507 1.00 0.00 ATOM 219 CG GLN 32 -4.278 6.216 10.598 1.00 0.00 ATOM 220 CD GLN 32 -5.060 7.462 10.226 1.00 0.00 ATOM 221 OE1 GLN 32 -4.572 8.319 9.487 1.00 0.00 ATOM 222 NE2 GLN 32 -6.275 7.574 10.739 1.00 0.00 ATOM 223 O GLN 32 -2.135 2.939 8.212 1.00 0.00 ATOM 224 C GLN 32 -1.749 4.014 8.672 1.00 0.00 ATOM 225 N PHE 33 -0.749 4.713 8.149 1.00 0.00 ATOM 226 CA PHE 33 0.017 4.238 7.001 1.00 0.00 ATOM 227 CB PHE 33 1.020 5.318 6.585 1.00 0.00 ATOM 228 CG PHE 33 1.778 5.025 5.320 1.00 0.00 ATOM 229 CD1 PHE 33 1.216 5.297 4.082 1.00 0.00 ATOM 230 CD2 PHE 33 3.062 4.502 5.369 1.00 0.00 ATOM 231 CE1 PHE 33 1.917 5.052 2.918 1.00 0.00 ATOM 232 CE2 PHE 33 3.766 4.252 4.206 1.00 0.00 ATOM 233 CZ PHE 33 3.192 4.529 2.979 1.00 0.00 ATOM 234 O PHE 33 0.726 1.972 6.607 1.00 0.00 ATOM 235 C PHE 33 0.741 2.945 7.363 1.00 0.00 ATOM 236 N ASP 34 1.356 2.957 8.538 1.00 0.00 ATOM 237 CA ASP 34 2.064 1.802 9.084 1.00 0.00 ATOM 238 CB ASP 34 2.575 2.151 10.483 1.00 0.00 ATOM 239 CG ASP 34 3.123 0.963 11.247 1.00 0.00 ATOM 240 OD1 ASP 34 4.338 0.700 11.157 1.00 0.00 ATOM 241 OD2 ASP 34 2.355 0.332 12.001 1.00 0.00 ATOM 242 O ASP 34 1.516 -0.485 8.606 1.00 0.00 ATOM 243 C ASP 34 1.169 0.569 9.142 1.00 0.00 ATOM 244 N ASP 35 0.010 0.707 9.778 1.00 0.00 ATOM 245 CA ASP 35 -0.917 -0.412 9.928 1.00 0.00 ATOM 246 CB ASP 35 -2.134 0.002 10.757 1.00 0.00 ATOM 247 CG ASP 35 -3.061 -1.164 11.057 1.00 0.00 ATOM 248 OD1 ASP 35 -3.862 -1.541 10.178 1.00 0.00 ATOM 249 OD2 ASP 35 -3.003 -1.703 12.181 1.00 0.00 ATOM 250 O ASP 35 -1.478 -2.127 8.347 1.00 0.00 ATOM 251 C ASP 35 -1.369 -0.920 8.566 1.00 0.00 ATOM 252 N ALA 36 -1.619 0.007 7.650 1.00 0.00 ATOM 253 CA ALA 36 -2.054 -0.344 6.308 1.00 0.00 ATOM 254 CB ALA 36 -2.365 0.908 5.506 1.00 0.00 ATOM 255 O ALA 36 -1.306 -2.272 5.107 1.00 0.00 ATOM 256 C ALA 36 -1.003 -1.190 5.603 1.00 0.00 ATOM 257 N VAL 37 0.232 -0.704 5.586 1.00 0.00 ATOM 258 CA VAL 37 1.325 -1.408 4.926 1.00 0.00 ATOM 259 CB VAL 37 2.639 -0.599 4.996 1.00 0.00 ATOM 260 CG1 VAL 37 3.802 -1.389 4.412 1.00 0.00 ATOM 261 CG2 VAL 37 2.482 0.729 4.269 1.00 0.00 ATOM 262 O VAL 37 1.686 -3.781 4.826 1.00 0.00 ATOM 263 C VAL 37 1.537 -2.790 5.542 1.00 0.00 ATOM 264 N ASN 38 1.527 -2.853 6.869 1.00 0.00 ATOM 265 CA ASN 38 1.724 -4.117 7.576 1.00 0.00 ATOM 266 CB ASN 38 1.786 -3.888 9.088 1.00 0.00 ATOM 267 CG ASN 38 3.083 -3.237 9.526 1.00 0.00 ATOM 268 ND2 ASN 38 3.016 -2.440 10.579 1.00 0.00 ATOM 269 OD1 ASN 38 4.135 -3.446 8.918 1.00 0.00 ATOM 270 O ASN 38 0.881 -6.285 6.978 1.00 0.00 ATOM 271 C ASN 38 0.616 -5.111 7.249 1.00 0.00 ATOM 272 N PHE 39 -0.621 -4.632 7.264 1.00 0.00 ATOM 273 CA PHE 39 -1.776 -5.472 6.968 1.00 0.00 ATOM 274 CB PHE 39 -3.072 -4.695 7.221 1.00 0.00 ATOM 275 CG PHE 39 -4.324 -5.473 6.921 1.00 0.00 ATOM 276 CD1 PHE 39 -4.768 -6.456 7.789 1.00 0.00 ATOM 277 CD2 PHE 39 -5.057 -5.217 5.773 1.00 0.00 ATOM 278 CE1 PHE 39 -5.917 -7.170 7.520 1.00 0.00 ATOM 279 CE2 PHE 39 -6.208 -5.928 5.497 1.00 0.00 ATOM 280 CZ PHE 39 -6.639 -6.906 6.373 1.00 0.00 ATOM 281 O PHE 39 -1.927 -7.158 5.265 1.00 0.00 ATOM 282 C PHE 39 -1.732 -5.969 5.526 1.00 0.00 ATOM 283 N LEU 40 -1.459 -5.059 4.597 1.00 0.00 ATOM 284 CA LEU 40 -1.410 -5.401 3.180 1.00 0.00 ATOM 285 CB LEU 40 -1.227 -4.140 2.333 1.00 0.00 ATOM 286 CG LEU 40 -2.344 -3.099 2.462 1.00 0.00 ATOM 287 CD1 LEU 40 -1.999 -1.849 1.670 1.00 0.00 ATOM 288 CD2 LEU 40 -3.675 -3.671 1.996 1.00 0.00 ATOM 289 O LEU 40 -0.410 -7.269 2.046 1.00 0.00 ATOM 290 C LEU 40 -0.284 -6.392 2.902 1.00 0.00 ATOM 291 N LYS 41 0.812 -6.247 3.635 1.00 0.00 ATOM 292 CA LYS 41 1.942 -7.158 3.519 1.00 0.00 ATOM 293 CB LYS 41 3.136 -6.620 4.312 1.00 0.00 ATOM 294 CG LYS 41 4.360 -7.518 4.257 1.00 0.00 ATOM 295 CD LYS 41 5.458 -7.023 5.183 1.00 0.00 ATOM 296 CE LYS 41 6.654 -7.959 5.176 1.00 0.00 ATOM 297 NZ LYS 41 6.297 -9.321 5.654 1.00 0.00 ATOM 298 O LYS 41 1.923 -9.556 3.411 1.00 0.00 ATOM 299 C LYS 41 1.570 -8.548 4.023 1.00 0.00 ATOM 300 N ARG 42 0.841 -8.590 5.131 1.00 0.00 ATOM 301 CA ARG 42 0.490 -9.850 5.776 1.00 0.00 ATOM 302 CB ARG 42 -0.160 -9.589 7.137 1.00 0.00 ATOM 303 CG ARG 42 -0.239 -10.826 8.020 1.00 0.00 ATOM 304 CD ARG 42 -1.111 -10.595 9.245 1.00 0.00 ATOM 305 NE ARG 42 -2.527 -10.504 8.894 1.00 0.00 ATOM 306 CZ ARG 42 -3.515 -10.432 9.781 1.00 0.00 ATOM 307 NH1 ARG 42 -3.256 -10.412 11.081 1.00 0.00 ATOM 308 NH2 ARG 42 -4.771 -10.391 9.357 1.00 0.00 ATOM 309 O ARG 42 -0.258 -11.861 4.694 1.00 0.00 ATOM 310 C ARG 42 -0.463 -10.664 4.907 1.00 0.00 ATOM 311 N GLU 43 -1.501 -10.008 4.399 1.00 0.00 ATOM 312 CA GLU 43 -2.526 -10.691 3.618 1.00 0.00 ATOM 313 CB GLU 43 -3.789 -9.834 3.524 1.00 0.00 ATOM 314 CG GLU 43 -4.346 -9.417 4.877 1.00 0.00 ATOM 315 CD GLU 43 -4.614 -10.593 5.796 1.00 0.00 ATOM 316 OE1 GLU 43 -3.701 -10.980 6.555 1.00 0.00 ATOM 317 OE2 GLU 43 -5.741 -11.130 5.774 1.00 0.00 ATOM 318 O GLU 43 -2.527 -11.946 1.572 1.00 0.00 ATOM 319 C GLU 43 -2.014 -11.034 2.222 1.00 0.00 ATOM 320 N GLY 44 -1.004 -10.305 1.767 1.00 0.00 ATOM 321 CA GLY 44 -0.397 -10.604 0.484 1.00 0.00 ATOM 322 O GLY 44 -1.245 -10.181 -1.709 1.00 0.00 ATOM 323 C GLY 44 -0.892 -9.706 -0.630 1.00 0.00 ATOM 324 N TYR 45 -0.933 -8.407 -0.373 1.00 0.00 ATOM 325 CA TYR 45 -1.309 -7.441 -1.398 1.00 0.00 ATOM 326 CB TYR 45 -2.223 -6.359 -0.818 1.00 0.00 ATOM 327 CG TYR 45 -3.591 -6.870 -0.422 1.00 0.00 ATOM 328 CD1 TYR 45 -3.901 -7.123 0.908 1.00 0.00 ATOM 329 CD2 TYR 45 -4.573 -7.096 -1.379 1.00 0.00 ATOM 330 CE1 TYR 45 -5.150 -7.586 1.274 1.00 0.00 ATOM 331 CE2 TYR 45 -5.825 -7.559 -1.022 1.00 0.00 ATOM 332 CZ TYR 45 -6.109 -7.803 0.306 1.00 0.00 ATOM 333 OH TYR 45 -7.356 -8.266 0.670 1.00 0.00 ATOM 334 O TYR 45 -0.022 -6.543 -3.215 1.00 0.00 ATOM 335 C TYR 45 -0.068 -6.812 -2.013 1.00 0.00 ATOM 336 N ILE 46 0.944 -6.593 -1.186 1.00 0.00 ATOM 337 CA ILE 46 2.204 -6.032 -1.649 1.00 0.00 ATOM 338 CB ILE 46 2.265 -4.491 -1.479 1.00 0.00 ATOM 339 CG1 ILE 46 1.610 -4.031 -0.167 1.00 0.00 ATOM 340 CG2 ILE 46 1.622 -3.795 -2.665 1.00 0.00 ATOM 341 CD1 ILE 46 2.449 -4.273 1.070 1.00 0.00 ATOM 342 O ILE 46 3.233 -7.197 0.179 1.00 0.00 ATOM 343 C ILE 46 3.381 -6.673 -0.928 1.00 0.00 ATOM 344 N ILE 47 4.539 -6.640 -1.569 1.00 0.00 ATOM 345 CA ILE 47 5.762 -7.180 -0.991 1.00 0.00 ATOM 346 CB ILE 47 6.178 -8.508 -1.662 1.00 0.00 ATOM 347 CG1 ILE 47 6.344 -8.320 -3.173 1.00 0.00 ATOM 348 CG2 ILE 47 5.155 -9.596 -1.367 1.00 0.00 ATOM 349 CD1 ILE 47 6.842 -9.555 -3.893 1.00 0.00 ATOM 350 O ILE 47 6.740 -5.157 -1.817 1.00 0.00 ATOM 351 C ILE 47 6.894 -6.170 -1.135 1.00 0.00 ATOM 352 N GLY 48 8.022 -6.440 -0.491 1.00 0.00 ATOM 353 CA GLY 48 9.157 -5.538 -0.570 1.00 0.00 ATOM 354 O GLY 48 9.905 -3.566 0.565 1.00 0.00 ATOM 355 C GLY 48 9.183 -4.565 0.588 1.00 0.00 ATOM 356 N VAL 49 8.389 -4.864 1.605 1.00 0.00 ATOM 357 CA VAL 49 8.296 -4.017 2.781 1.00 0.00 ATOM 358 CB VAL 49 6.989 -4.282 3.558 1.00 0.00 ATOM 359 CG1 VAL 49 6.938 -3.463 4.840 1.00 0.00 ATOM 360 CG2 VAL 49 5.782 -3.981 2.682 1.00 0.00 ATOM 361 O VAL 49 9.667 -5.331 4.246 1.00 0.00 ATOM 362 C VAL 49 9.491 -4.247 3.693 1.00 0.00 ATOM 363 N HIS 50 10.318 -3.226 3.834 1.00 0.00 ATOM 364 CA HIS 50 11.513 -3.329 4.651 1.00 0.00 ATOM 365 CB HIS 50 12.745 -2.873 3.868 1.00 0.00 ATOM 366 CG HIS 50 13.100 -3.772 2.724 1.00 0.00 ATOM 367 CD2 HIS 50 13.699 -4.985 2.705 1.00 0.00 ATOM 368 ND1 HIS 50 12.842 -3.455 1.408 1.00 0.00 ATOM 369 CE1 HIS 50 13.267 -4.436 0.632 1.00 0.00 ATOM 370 NE2 HIS 50 13.790 -5.375 1.393 1.00 0.00 ATOM 371 O HIS 50 10.960 -1.341 5.864 1.00 0.00 ATOM 372 C HIS 50 11.370 -2.500 5.914 1.00 0.00 ATOM 373 N TYR 51 11.689 -3.105 7.042 1.00 0.00 ATOM 374 CA TYR 51 11.690 -2.399 8.310 1.00 0.00 ATOM 375 CB TYR 51 11.279 -3.337 9.448 1.00 0.00 ATOM 376 CG TYR 51 9.884 -3.893 9.298 1.00 0.00 ATOM 377 CD1 TYR 51 9.662 -5.101 8.650 1.00 0.00 ATOM 378 CD2 TYR 51 8.790 -3.208 9.803 1.00 0.00 ATOM 379 CE1 TYR 51 8.386 -5.609 8.509 1.00 0.00 ATOM 380 CE2 TYR 51 7.512 -3.709 9.669 1.00 0.00 ATOM 381 CZ TYR 51 7.314 -4.908 9.021 1.00 0.00 ATOM 382 OH TYR 51 6.039 -5.407 8.888 1.00 0.00 ATOM 383 O TYR 51 14.076 -2.465 8.230 1.00 0.00 ATOM 384 C TYR 51 13.078 -1.831 8.564 1.00 0.00 ATOM 385 N SER 52 13.153 -0.645 9.147 1.00 0.00 ATOM 386 CA SER 52 14.442 0.002 9.338 1.00 0.00 ATOM 387 CB SER 52 14.506 1.293 8.504 1.00 0.00 ATOM 388 OG SER 52 15.768 1.932 8.596 1.00 0.00 ATOM 389 O SER 52 15.224 -0.550 11.537 1.00 0.00 ATOM 390 C SER 52 14.668 0.279 10.818 1.00 0.00 ATOM 391 N ASP 53 14.211 1.433 11.265 1.00 0.00 ATOM 392 CA ASP 53 14.216 1.776 12.679 1.00 0.00 ATOM 393 CB ASP 53 13.643 3.190 12.863 1.00 0.00 ATOM 394 CG ASP 53 12.560 3.530 11.842 1.00 0.00 ATOM 395 OD1 ASP 53 12.680 4.575 11.169 1.00 0.00 ATOM 396 OD2 ASP 53 11.609 2.739 11.668 1.00 0.00 ATOM 397 O ASP 53 13.857 0.144 14.424 1.00 0.00 ATOM 398 C ASP 53 13.389 0.764 13.464 1.00 0.00 ATOM 399 N ASP 54 12.173 0.582 13.000 1.00 0.00 ATOM 400 CA ASP 54 11.196 -0.293 13.639 1.00 0.00 ATOM 401 CB ASP 54 10.737 0.304 14.974 1.00 0.00 ATOM 402 CG ASP 54 9.621 -0.494 15.623 1.00 0.00 ATOM 403 OD1 ASP 54 9.894 -1.600 16.130 1.00 0.00 ATOM 404 OD2 ASP 54 8.466 -0.010 15.642 1.00 0.00 ATOM 405 O ASP 54 9.396 -1.580 12.706 1.00 0.00 ATOM 406 C ASP 54 9.988 -0.501 12.730 1.00 0.00 ATOM 407 N ARG 55 9.647 0.527 11.959 1.00 0.00 ATOM 408 CA ARG 55 8.438 0.512 11.159 1.00 0.00 ATOM 409 CB ARG 55 7.677 1.828 11.367 1.00 0.00 ATOM 410 CG ARG 55 7.573 2.229 12.833 1.00 0.00 ATOM 411 CD ARG 55 6.486 3.261 13.070 1.00 0.00 ATOM 412 NE ARG 55 5.156 2.657 13.073 1.00 0.00 ATOM 413 CZ ARG 55 4.146 3.088 13.831 1.00 0.00 ATOM 414 NH1 ARG 55 4.291 4.161 14.600 1.00 0.00 ATOM 415 NH2 ARG 55 2.983 2.449 13.821 1.00 0.00 ATOM 416 O ARG 55 9.956 0.447 9.304 1.00 0.00 ATOM 417 C ARG 55 8.790 0.309 9.688 1.00 0.00 ATOM 418 N PRO 56 7.805 -0.057 8.850 1.00 0.00 ATOM 419 CA PRO 56 8.018 -0.241 7.414 1.00 0.00 ATOM 420 CB PRO 56 6.649 -0.689 6.892 1.00 0.00 ATOM 421 CG PRO 56 5.677 -0.253 7.931 1.00 0.00 ATOM 422 CD PRO 56 6.411 -0.343 9.233 1.00 0.00 ATOM 423 O PRO 56 7.890 2.117 6.959 1.00 0.00 ATOM 424 C PRO 56 8.450 1.047 6.721 1.00 0.00 ATOM 425 N HIS 57 9.459 0.937 5.877 1.00 0.00 ATOM 426 CA HIS 57 9.930 2.066 5.095 1.00 0.00 ATOM 427 CB HIS 57 11.312 2.525 5.568 1.00 0.00 ATOM 428 CG HIS 57 11.276 3.305 6.850 1.00 0.00 ATOM 429 CD2 HIS 57 11.242 2.895 8.140 1.00 0.00 ATOM 430 ND1 HIS 57 11.263 4.680 6.894 1.00 0.00 ATOM 431 CE1 HIS 57 11.219 5.080 8.150 1.00 0.00 ATOM 432 NE2 HIS 57 11.207 4.017 8.929 1.00 0.00 ATOM 433 O HIS 57 10.469 0.640 3.244 1.00 0.00 ATOM 434 C HIS 57 9.968 1.701 3.620 1.00 0.00 ATOM 435 N LEU 58 9.426 2.578 2.794 1.00 0.00 ATOM 436 CA LEU 58 9.351 2.333 1.364 1.00 0.00 ATOM 437 CB LEU 58 8.005 2.807 0.809 1.00 0.00 ATOM 438 CG LEU 58 6.782 2.098 1.400 1.00 0.00 ATOM 439 CD1 LEU 58 5.505 2.643 0.788 1.00 0.00 ATOM 440 CD2 LEU 58 6.876 0.594 1.186 1.00 0.00 ATOM 441 O LEU 58 10.857 4.158 0.975 1.00 0.00 ATOM 442 C LEU 58 10.497 3.027 0.646 1.00 0.00 ATOM 443 N TYR 59 11.076 2.336 -0.321 1.00 0.00 ATOM 444 CA TYR 59 12.180 2.877 -1.090 1.00 0.00 ATOM 445 CB TYR 59 13.360 1.902 -1.081 1.00 0.00 ATOM 446 CG TYR 59 13.877 1.607 0.309 1.00 0.00 ATOM 447 CD1 TYR 59 13.609 0.395 0.929 1.00 0.00 ATOM 448 CD2 TYR 59 14.623 2.549 1.005 1.00 0.00 ATOM 449 CE1 TYR 59 14.069 0.128 2.205 1.00 0.00 ATOM 450 CE2 TYR 59 15.090 2.290 2.281 1.00 0.00 ATOM 451 CZ TYR 59 14.809 1.079 2.876 1.00 0.00 ATOM 452 OH TYR 59 15.264 0.817 4.148 1.00 0.00 ATOM 453 O TYR 59 10.541 3.015 -2.819 1.00 0.00 ATOM 454 C TYR 59 11.721 3.158 -2.512 1.00 0.00 ATOM 455 N LYS 60 12.647 3.544 -3.377 1.00 0.00 ATOM 456 CA LYS 60 12.305 3.911 -4.746 1.00 0.00 ATOM 457 CB LYS 60 13.350 4.879 -5.305 1.00 0.00 ATOM 458 CG LYS 60 13.613 6.071 -4.397 1.00 0.00 ATOM 459 CD LYS 60 14.598 7.047 -5.018 1.00 0.00 ATOM 460 CE LYS 60 14.969 8.154 -4.043 1.00 0.00 ATOM 461 NZ LYS 60 15.745 7.636 -2.886 1.00 0.00 ATOM 462 O LYS 60 11.850 2.732 -6.800 1.00 0.00 ATOM 463 C LYS 60 12.209 2.664 -5.621 1.00 0.00 ATOM 464 N LEU 61 12.552 1.530 -5.032 1.00 0.00 ATOM 465 CA LEU 61 12.472 0.247 -5.706 1.00 0.00 ATOM 466 CB LEU 61 13.706 0.035 -6.598 1.00 0.00 ATOM 467 CG LEU 61 13.593 -1.070 -7.658 1.00 0.00 ATOM 468 CD1 LEU 61 14.672 -0.894 -8.715 1.00 0.00 ATOM 469 CD2 LEU 61 13.704 -2.455 -7.032 1.00 0.00 ATOM 470 O LEU 61 13.237 -0.968 -3.790 1.00 0.00 ATOM 471 C LEU 61 12.366 -0.845 -4.652 1.00 0.00 ATOM 472 N GLY 62 11.293 -1.615 -4.701 1.00 0.00 ATOM 473 CA GLY 62 11.084 -2.642 -3.701 1.00 0.00 ATOM 474 O GLY 62 9.305 -4.222 -3.695 1.00 0.00 ATOM 475 C GLY 62 9.627 -3.044 -3.563 1.00 0.00 ATOM 476 N PRO 63 8.721 -2.090 -3.270 1.00 0.00 ATOM 477 CA PRO 63 7.286 -2.375 -3.136 1.00 0.00 ATOM 478 CB PRO 63 6.673 -1.021 -2.762 1.00 0.00 ATOM 479 CG PRO 63 7.813 -0.200 -2.265 1.00 0.00 ATOM 480 CD PRO 63 9.016 -0.668 -3.025 1.00 0.00 ATOM 481 O PRO 63 6.477 -2.146 -5.389 1.00 0.00 ATOM 482 C PRO 63 6.669 -2.897 -4.432 1.00 0.00 ATOM 483 N GLU 64 6.379 -4.190 -4.455 1.00 0.00 ATOM 484 CA GLU 64 5.768 -4.829 -5.612 1.00 0.00 ATOM 485 CB GLU 64 6.555 -6.085 -5.996 1.00 0.00 ATOM 486 CG GLU 64 8.064 -5.890 -6.044 1.00 0.00 ATOM 487 CD GLU 64 8.541 -5.186 -7.294 1.00 0.00 ATOM 488 OE1 GLU 64 8.494 -3.943 -7.346 1.00 0.00 ATOM 489 OE2 GLU 64 9.000 -5.880 -8.227 1.00 0.00 ATOM 490 O GLU 64 4.072 -5.689 -4.163 1.00 0.00 ATOM 491 C GLU 64 4.337 -5.228 -5.272 1.00 0.00 ATOM 492 N LEU 65 3.418 -5.052 -6.208 1.00 0.00 ATOM 493 CA LEU 65 2.044 -5.486 -5.995 1.00 0.00 ATOM 494 CB LEU 65 1.041 -4.591 -6.733 1.00 0.00 ATOM 495 CG LEU 65 0.703 -3.270 -6.034 1.00 0.00 ATOM 496 CD1 LEU 65 1.759 -2.213 -6.327 1.00 0.00 ATOM 497 CD2 LEU 65 -0.682 -2.789 -6.444 1.00 0.00 ATOM 498 O LEU 65 2.492 -7.377 -7.405 1.00 0.00 ATOM 499 C LEU 65 1.868 -6.930 -6.438 1.00 0.00 ATOM 500 N THR 66 1.040 -7.660 -5.713 1.00 0.00 ATOM 501 CA THR 66 0.708 -9.022 -6.082 1.00 0.00 ATOM 502 CB THR 66 0.338 -9.863 -4.844 1.00 0.00 ATOM 503 CG2 THR 66 1.485 -9.894 -3.842 1.00 0.00 ATOM 504 OG1 THR 66 -0.835 -9.322 -4.218 1.00 0.00 ATOM 505 O THR 66 -1.078 -7.957 -7.258 1.00 0.00 ATOM 506 C THR 66 -0.469 -9.007 -7.043 1.00 0.00 ATOM 507 N GLU 67 -0.796 -10.154 -7.621 1.00 0.00 ATOM 508 CA GLU 67 -1.969 -10.244 -8.471 1.00 0.00 ATOM 509 CB GLU 67 -2.066 -11.615 -9.144 1.00 0.00 ATOM 510 CG GLU 67 -3.369 -11.813 -9.902 1.00 0.00 ATOM 511 CD GLU 67 -3.359 -13.036 -10.785 1.00 0.00 ATOM 512 OE1 GLU 67 -3.745 -12.918 -11.968 1.00 0.00 ATOM 513 OE2 GLU 67 -2.947 -14.115 -10.316 1.00 0.00 ATOM 514 O GLU 67 -4.140 -9.299 -8.109 1.00 0.00 ATOM 515 C GLU 67 -3.218 -9.965 -7.648 1.00 0.00 ATOM 516 N LYS 68 -3.222 -10.456 -6.417 1.00 0.00 ATOM 517 CA LYS 68 -4.339 -10.244 -5.510 1.00 0.00 ATOM 518 CB LYS 68 -4.117 -11.032 -4.221 1.00 0.00 ATOM 519 CG LYS 68 -5.320 -11.041 -3.296 1.00 0.00 ATOM 520 CD LYS 68 -5.212 -12.150 -2.265 1.00 0.00 ATOM 521 CE LYS 68 -3.945 -12.027 -1.436 1.00 0.00 ATOM 522 NZ LYS 68 -3.727 -13.216 -0.574 1.00 0.00 ATOM 523 O LYS 68 -5.623 -8.240 -5.228 1.00 0.00 ATOM 524 C LYS 68 -4.510 -8.761 -5.206 1.00 0.00 ATOM 525 N GLY 69 -3.398 -8.084 -4.938 1.00 0.00 ATOM 526 CA GLY 69 -3.441 -6.657 -4.679 1.00 0.00 ATOM 527 O GLY 69 -4.676 -4.958 -5.823 1.00 0.00 ATOM 528 C GLY 69 -3.860 -5.877 -5.908 1.00 0.00 ATOM 529 N GLU 70 -3.313 -6.263 -7.055 1.00 0.00 ATOM 530 CA GLU 70 -3.643 -5.632 -8.325 1.00 0.00 ATOM 531 CB GLU 70 -2.763 -6.225 -9.427 1.00 0.00 ATOM 532 CG GLU 70 -2.985 -5.602 -10.789 1.00 0.00 ATOM 533 CD GLU 70 -2.503 -4.172 -10.875 1.00 0.00 ATOM 534 OE1 GLU 70 -3.245 -3.266 -10.448 1.00 0.00 ATOM 535 OE2 GLU 70 -1.397 -3.949 -11.410 1.00 0.00 ATOM 536 O GLU 70 -5.825 -4.897 -9.034 1.00 0.00 ATOM 537 C GLU 70 -5.124 -5.836 -8.659 1.00 0.00 ATOM 538 N ASN 71 -5.594 -7.071 -8.505 1.00 0.00 ATOM 539 CA ASN 71 -6.997 -7.409 -8.759 1.00 0.00 ATOM 540 CB ASN 71 -7.226 -8.918 -8.614 1.00 0.00 ATOM 541 CG ASN 71 -6.794 -9.723 -9.831 1.00 0.00 ATOM 542 ND2 ASN 71 -5.824 -9.218 -10.578 1.00 0.00 ATOM 543 OD1 ASN 71 -7.328 -10.804 -10.091 1.00 0.00 ATOM 544 O ASN 71 -9.024 -6.271 -8.153 1.00 0.00 ATOM 545 C ASN 71 -7.912 -6.664 -7.797 1.00 0.00 ATOM 546 N TYR 72 -7.431 -6.471 -6.578 1.00 0.00 ATOM 547 CA TYR 72 -8.182 -5.761 -5.554 1.00 0.00 ATOM 548 CB TYR 72 -7.422 -5.809 -4.227 1.00 0.00 ATOM 549 CG TYR 72 -8.172 -5.200 -3.067 1.00 0.00 ATOM 550 CD1 TYR 72 -9.333 -5.787 -2.585 1.00 0.00 ATOM 551 CD2 TYR 72 -7.713 -4.044 -2.449 1.00 0.00 ATOM 552 CE1 TYR 72 -10.016 -5.240 -1.519 1.00 0.00 ATOM 553 CE2 TYR 72 -8.393 -3.490 -1.382 1.00 0.00 ATOM 554 CZ TYR 72 -9.543 -4.093 -0.922 1.00 0.00 ATOM 555 OH TYR 72 -10.220 -3.554 0.145 1.00 0.00 ATOM 556 O TYR 72 -9.512 -3.766 -5.741 1.00 0.00 ATOM 557 C TYR 72 -8.435 -4.318 -5.979 1.00 0.00 ATOM 558 N LEU 73 -7.444 -3.721 -6.633 1.00 0.00 ATOM 559 CA LEU 73 -7.562 -2.356 -7.131 1.00 0.00 ATOM 560 CB LEU 73 -6.243 -1.886 -7.745 1.00 0.00 ATOM 561 CG LEU 73 -5.033 -1.917 -6.814 1.00 0.00 ATOM 562 CD1 LEU 73 -3.793 -1.431 -7.545 1.00 0.00 ATOM 563 CD2 LEU 73 -5.286 -1.068 -5.583 1.00 0.00 ATOM 564 O LEU 73 -9.344 -1.253 -8.289 1.00 0.00 ATOM 565 C LEU 73 -8.658 -2.263 -8.181 1.00 0.00 ATOM 566 N LYS 74 -8.824 -3.328 -8.948 1.00 0.00 ATOM 567 CA LYS 74 -9.804 -3.341 -10.022 1.00 0.00 ATOM 568 CB LYS 74 -9.621 -4.579 -10.904 1.00 0.00 ATOM 569 CG LYS 74 -8.174 -4.868 -11.281 1.00 0.00 ATOM 570 CD LYS 74 -7.508 -3.684 -11.966 1.00 0.00 ATOM 571 CE LYS 74 -6.066 -4.001 -12.336 1.00 0.00 ATOM 572 NZ LYS 74 -5.362 -2.822 -12.909 1.00 0.00 ATOM 573 O LYS 74 -12.115 -2.686 -10.013 1.00 0.00 ATOM 574 C LYS 74 -11.221 -3.320 -9.453 1.00 0.00 ATOM 575 N GLU 75 -11.410 -4.004 -8.330 1.00 0.00 ATOM 576 CA GLU 75 -12.731 -4.129 -7.721 1.00 0.00 ATOM 577 CB GLU 75 -12.819 -5.429 -6.920 1.00 0.00 ATOM 578 CG GLU 75 -12.469 -6.668 -7.730 1.00 0.00 ATOM 579 CD GLU 75 -13.384 -6.876 -8.923 1.00 0.00 ATOM 580 OE1 GLU 75 -14.195 -7.825 -8.896 1.00 0.00 ATOM 581 OE2 GLU 75 -13.296 -6.098 -9.893 1.00 0.00 ATOM 582 O GLU 75 -14.129 -2.357 -6.884 1.00 0.00 ATOM 583 C GLU 75 -13.042 -2.934 -6.819 1.00 0.00 ATOM 584 N ASN 76 -12.076 -2.557 -5.990 1.00 0.00 ATOM 585 CA ASN 76 -12.269 -1.475 -5.026 1.00 0.00 ATOM 586 CB ASN 76 -11.427 -1.730 -3.770 1.00 0.00 ATOM 587 CG ASN 76 -12.083 -1.196 -2.506 1.00 0.00 ATOM 588 ND2 ASN 76 -11.874 0.076 -2.212 1.00 0.00 ATOM 589 OD1 ASN 76 -12.788 -1.925 -1.807 1.00 0.00 ATOM 590 O ASN 76 -11.884 0.891 -4.975 1.00 0.00 ATOM 591 C ASN 76 -11.888 -0.138 -5.648 1.00 0.00 ATOM 592 N GLY 77 -11.572 -0.166 -6.939 1.00 0.00 ATOM 593 CA GLY 77 -11.165 1.035 -7.651 1.00 0.00 ATOM 594 O GLY 77 -11.951 3.260 -8.039 1.00 0.00 ATOM 595 C GLY 77 -12.238 2.106 -7.712 1.00 0.00 ATOM 596 N THR 78 -13.474 1.734 -7.408 1.00 0.00 ATOM 597 CA THR 78 -14.567 2.690 -7.375 1.00 0.00 ATOM 598 CB THR 78 -15.946 1.986 -7.493 1.00 0.00 ATOM 599 CG2 THR 78 -16.120 0.907 -6.428 1.00 0.00 ATOM 600 OG1 THR 78 -17.013 2.942 -7.399 1.00 0.00 ATOM 601 O THR 78 -15.316 3.472 -5.204 1.00 0.00 ATOM 602 C THR 78 -14.487 3.558 -6.111 1.00 0.00 ATOM 603 N TRP 79 -13.450 4.378 -6.054 1.00 0.00 ATOM 604 CA TRP 79 -13.253 5.301 -4.953 1.00 0.00 ATOM 605 CB TRP 79 -12.324 4.687 -3.891 1.00 0.00 ATOM 606 CG TRP 79 -12.354 5.407 -2.570 1.00 0.00 ATOM 607 CD1 TRP 79 -12.181 6.748 -2.352 1.00 0.00 ATOM 608 CD2 TRP 79 -12.561 4.820 -1.278 1.00 0.00 ATOM 609 CE2 TRP 79 -12.520 5.862 -0.332 1.00 0.00 ATOM 610 CE3 TRP 79 -12.782 3.515 -0.832 1.00 0.00 ATOM 611 NE1 TRP 79 -12.289 7.030 -1.013 1.00 0.00 ATOM 612 CZ2 TRP 79 -12.699 5.637 1.031 1.00 0.00 ATOM 613 CZ3 TRP 79 -12.957 3.292 0.521 1.00 0.00 ATOM 614 CH2 TRP 79 -12.915 4.349 1.438 1.00 0.00 ATOM 615 O TRP 79 -11.634 6.593 -6.168 1.00 0.00 ATOM 616 C TRP 79 -12.664 6.603 -5.489 1.00 0.00 ATOM 617 N SER 80 -13.332 7.713 -5.206 1.00 0.00 ATOM 618 CA SER 80 -12.860 9.019 -5.641 1.00 0.00 ATOM 619 CB SER 80 -13.948 10.078 -5.433 1.00 0.00 ATOM 620 OG SER 80 -13.522 11.349 -5.897 1.00 0.00 ATOM 621 O SER 80 -11.639 9.966 -3.794 1.00 0.00 ATOM 622 C SER 80 -11.585 9.411 -4.893 1.00 0.00 ATOM 623 N LYS 81 -10.439 9.101 -5.486 1.00 0.00 ATOM 624 CA LYS 81 -9.155 9.417 -4.883 1.00 0.00 ATOM 625 CB LYS 81 -8.770 8.319 -3.878 1.00 0.00 ATOM 626 CG LYS 81 -8.179 8.838 -2.571 1.00 0.00 ATOM 627 CD LYS 81 -6.786 9.426 -2.750 1.00 0.00 ATOM 628 CE LYS 81 -6.215 9.913 -1.422 1.00 0.00 ATOM 629 NZ LYS 81 -4.806 10.372 -1.553 1.00 0.00 ATOM 630 O LYS 81 -7.773 8.570 -6.647 1.00 0.00 ATOM 631 C LYS 81 -8.086 9.545 -5.967 1.00 0.00 ATOM 632 N ALA 82 -7.585 10.768 -6.153 1.00 0.00 ATOM 633 CA ALA 82 -6.451 11.059 -7.044 1.00 0.00 ATOM 634 CB ALA 82 -5.265 10.159 -6.726 1.00 0.00 ATOM 635 O ALA 82 -6.268 11.767 -9.328 1.00 0.00 ATOM 636 C ALA 82 -6.793 10.985 -8.539 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_542988226.pdb -s /var/tmp/to_scwrl_542988226.seq -o /var/tmp/from_scwrl_542988226.pdb > /var/tmp/scwrl_542988226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542988226.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 56 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -56.731 # GDT_score(maxd=8.000,maxw=2.900)= -55.916 # GDT_score(maxd=8.000,maxw=3.200)= -53.113 # GDT_score(maxd=8.000,maxw=3.500)= -50.479 # GDT_score(maxd=10.000,maxw=3.800)= -54.188 # GDT_score(maxd=10.000,maxw=4.000)= -52.471 # GDT_score(maxd=10.000,maxw=4.200)= -50.812 # GDT_score(maxd=12.000,maxw=4.300)= -54.913 # GDT_score(maxd=12.000,maxw=4.500)= -53.224 # GDT_score(maxd=12.000,maxw=4.700)= -51.532 # GDT_score(maxd=14.000,maxw=5.200)= -51.410 # GDT_score(maxd=14.000,maxw=5.500)= -49.236 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1475641349.pdb -s /var/tmp/to_scwrl_1475641349.seq -o /var/tmp/from_scwrl_1475641349.pdb > /var/tmp/scwrl_1475641349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475641349.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 78 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -52.885 # GDT_score(maxd=8.000,maxw=2.900)= -51.110 # GDT_score(maxd=8.000,maxw=3.200)= -48.528 # GDT_score(maxd=8.000,maxw=3.500)= -46.086 # GDT_score(maxd=10.000,maxw=3.800)= -50.569 # GDT_score(maxd=10.000,maxw=4.000)= -48.904 # GDT_score(maxd=10.000,maxw=4.200)= -47.308 # GDT_score(maxd=12.000,maxw=4.300)= -51.753 # GDT_score(maxd=12.000,maxw=4.500)= -50.115 # GDT_score(maxd=12.000,maxw=4.700)= -48.546 # GDT_score(maxd=14.000,maxw=5.200)= -48.771 # GDT_score(maxd=14.000,maxw=5.500)= -46.740 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1544936319.pdb -s /var/tmp/to_scwrl_1544936319.seq -o /var/tmp/from_scwrl_1544936319.pdb > /var/tmp/scwrl_1544936319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544936319.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 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.808 # GDT_score = -58.974 # GDT_score(maxd=8.000,maxw=2.900)= -59.227 # GDT_score(maxd=8.000,maxw=3.200)= -57.174 # GDT_score(maxd=8.000,maxw=3.500)= -55.117 # GDT_score(maxd=10.000,maxw=3.800)= -57.390 # GDT_score(maxd=10.000,maxw=4.000)= -56.066 # GDT_score(maxd=10.000,maxw=4.200)= -54.621 # GDT_score(maxd=12.000,maxw=4.300)= -57.329 # GDT_score(maxd=12.000,maxw=4.500)= -55.892 # GDT_score(maxd=12.000,maxw=4.700)= -54.452 # GDT_score(maxd=14.000,maxw=5.200)= -53.744 # GDT_score(maxd=14.000,maxw=5.500)= -51.689 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1301162696.pdb -s /var/tmp/to_scwrl_1301162696.seq -o /var/tmp/from_scwrl_1301162696.pdb > /var/tmp/scwrl_1301162696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1301162696.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.846 # GDT_score = -57.051 # GDT_score(maxd=8.000,maxw=2.900)= -59.508 # GDT_score(maxd=8.000,maxw=3.200)= -56.532 # GDT_score(maxd=8.000,maxw=3.500)= -53.610 # GDT_score(maxd=10.000,maxw=3.800)= -56.112 # GDT_score(maxd=10.000,maxw=4.000)= -54.254 # GDT_score(maxd=10.000,maxw=4.200)= -52.526 # GDT_score(maxd=12.000,maxw=4.300)= -55.771 # GDT_score(maxd=12.000,maxw=4.500)= -54.086 # GDT_score(maxd=12.000,maxw=4.700)= -52.414 # GDT_score(maxd=14.000,maxw=5.200)= -51.684 # GDT_score(maxd=14.000,maxw=5.500)= -49.468 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_862611864.pdb -s /var/tmp/to_scwrl_862611864.seq -o /var/tmp/from_scwrl_862611864.pdb > /var/tmp/scwrl_862611864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862611864.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 T0327.try1-opt2.pdb looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -58.013 # GDT_score(maxd=8.000,maxw=2.900)= -58.485 # GDT_score(maxd=8.000,maxw=3.200)= -55.311 # GDT_score(maxd=8.000,maxw=3.500)= -52.397 # GDT_score(maxd=10.000,maxw=3.800)= -56.364 # GDT_score(maxd=10.000,maxw=4.000)= -54.511 # GDT_score(maxd=10.000,maxw=4.200)= -52.706 # GDT_score(maxd=12.000,maxw=4.300)= -56.967 # GDT_score(maxd=12.000,maxw=4.500)= -55.141 # GDT_score(maxd=12.000,maxw=4.700)= -53.356 # GDT_score(maxd=14.000,maxw=5.200)= -53.135 # GDT_score(maxd=14.000,maxw=5.500)= -50.866 # command:# Prefix for output files set to # command:EXPDTA T0327.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0327.try1-opt2.pdb ATOM 1 N MET A 1 -8.710 -3.331 -5.276 1.00 0.00 ATOM 2 CA MET A 1 -8.324 -2.665 -4.007 1.00 0.00 ATOM 3 CB MET A 1 -7.528 -1.439 -4.293 1.00 0.00 ATOM 4 CG MET A 1 -8.117 -0.390 -5.198 1.00 0.00 ATOM 5 SD MET A 1 -6.864 0.812 -5.699 1.00 0.00 ATOM 6 CE MET A 1 -7.747 1.602 -7.030 1.00 0.00 ATOM 7 O MET A 1 -10.610 -2.986 -3.399 1.00 0.00 ATOM 8 C MET A 1 -9.497 -2.585 -3.065 1.00 0.00 ATOM 9 N ASN A 2 -9.217 -2.055 -1.824 1.00 0.00 ATOM 10 CA ASN A 2 -10.230 -2.009 -0.784 1.00 0.00 ATOM 11 CB ASN A 2 -9.564 -2.062 0.593 1.00 0.00 ATOM 12 CG ASN A 2 -8.684 -3.279 0.760 1.00 0.00 ATOM 13 ND2 ASN A 2 -7.451 -3.065 1.199 1.00 0.00 ATOM 14 OD1 ASN A 2 -9.110 -4.401 0.499 1.00 0.00 ATOM 15 O ASN A 2 -10.719 0.284 -1.341 1.00 0.00 ATOM 16 C ASN A 2 -11.120 -0.774 -0.857 1.00 0.00 ATOM 17 N LYS A 3 -12.329 -0.929 -0.309 1.00 0.00 ATOM 18 CA LYS A 3 -13.303 0.150 -0.290 1.00 0.00 ATOM 19 CB LYS A 3 -14.664 -0.366 0.179 1.00 0.00 ATOM 20 CG LYS A 3 -15.359 -1.280 -0.818 1.00 0.00 ATOM 21 CD LYS A 3 -16.702 -1.757 -0.287 1.00 0.00 ATOM 22 CE LYS A 3 -17.396 -2.671 -1.285 1.00 0.00 ATOM 23 NZ LYS A 3 -18.700 -3.170 -0.765 1.00 0.00 ATOM 24 O LYS A 3 -13.425 2.443 0.367 1.00 0.00 ATOM 25 C LYS A 3 -12.983 1.319 0.625 1.00 0.00 ATOM 26 N ASP A 4 -12.294 1.045 1.732 1.00 0.00 ATOM 27 CA ASP A 4 -11.924 2.075 2.700 1.00 0.00 ATOM 28 CB ASP A 4 -11.511 1.927 3.902 1.00 0.00 ATOM 29 CG ASP A 4 -10.705 3.116 4.399 1.00 0.00 ATOM 30 OD1 ASP A 4 -11.172 4.264 4.253 1.00 0.00 ATOM 31 OD2 ASP A 4 -9.602 2.895 4.937 1.00 0.00 ATOM 32 O ASP A 4 -10.328 2.907 1.106 1.00 0.00 ATOM 33 C ASP A 4 -11.220 3.180 1.909 1.00 0.00 ATOM 34 N LYS A 5 -11.657 4.472 2.207 1.00 0.00 ATOM 35 CA LYS A 5 -11.086 5.619 1.491 1.00 0.00 ATOM 36 CB LYS A 5 -11.716 6.924 1.971 1.00 0.00 ATOM 37 CG LYS A 5 -13.207 7.026 1.728 1.00 0.00 ATOM 38 CD LYS A 5 -13.685 8.429 2.086 1.00 0.00 ATOM 39 CE LYS A 5 -15.208 8.521 2.057 1.00 0.00 ATOM 40 NZ LYS A 5 -15.823 8.074 0.761 1.00 0.00 ATOM 41 O LYS A 5 -8.891 5.963 0.631 1.00 0.00 ATOM 42 C LYS A 5 -9.579 5.719 1.636 1.00 0.00 ATOM 43 N LEU A 6 -9.060 5.542 2.844 1.00 0.00 ATOM 44 CA LEU A 6 -7.615 5.707 3.034 1.00 0.00 ATOM 45 CB LEU A 6 -7.219 5.590 4.479 1.00 0.00 ATOM 46 CG LEU A 6 -7.533 6.851 5.306 1.00 0.00 ATOM 47 CD1 LEU A 6 -7.296 6.599 6.781 1.00 0.00 ATOM 48 CD2 LEU A 6 -6.672 8.019 4.805 1.00 0.00 ATOM 49 O LEU A 6 -5.870 4.886 1.613 1.00 0.00 ATOM 50 C LEU A 6 -6.836 4.608 2.323 1.00 0.00 ATOM 51 N ARG A 7 -7.235 3.339 2.506 1.00 0.00 ATOM 52 CA ARG A 7 -6.538 2.235 1.858 1.00 0.00 ATOM 53 CB ARG A 7 -7.185 0.910 2.267 1.00 0.00 ATOM 54 CG ARG A 7 -6.905 0.499 3.703 1.00 0.00 ATOM 55 CD ARG A 7 -7.316 -0.942 3.957 1.00 0.00 ATOM 56 NE ARG A 7 -8.758 -1.132 3.822 1.00 0.00 ATOM 57 CZ ARG A 7 -9.631 -0.948 4.808 1.00 0.00 ATOM 58 NH1 ARG A 7 -10.923 -1.145 4.593 1.00 0.00 ATOM 59 NH2 ARG A 7 -9.208 -0.568 6.005 1.00 0.00 ATOM 60 O ARG A 7 -5.709 1.973 -0.378 1.00 0.00 ATOM 61 C ARG A 7 -6.650 2.307 0.337 1.00 0.00 ATOM 62 N TYR A 8 -7.780 2.745 -0.145 1.00 0.00 ATOM 63 CA TYR A 8 -7.991 2.920 -1.581 1.00 0.00 ATOM 64 CB TYR A 8 -9.417 3.396 -1.859 1.00 0.00 ATOM 65 CG TYR A 8 -9.713 3.618 -3.325 1.00 0.00 ATOM 66 CD1 TYR A 8 -9.978 2.547 -4.168 1.00 0.00 ATOM 67 CD2 TYR A 8 -9.729 4.900 -3.862 1.00 0.00 ATOM 68 CE1 TYR A 8 -10.249 2.740 -5.510 1.00 0.00 ATOM 69 CE2 TYR A 8 -9.998 5.113 -5.200 1.00 0.00 ATOM 70 CZ TYR A 8 -10.260 4.020 -6.024 1.00 0.00 ATOM 71 OH TYR A 8 -10.530 4.215 -7.359 1.00 0.00 ATOM 72 O TYR A 8 -6.382 3.751 -3.162 1.00 0.00 ATOM 73 C TYR A 8 -7.007 3.955 -2.119 1.00 0.00 ATOM 74 N ALA A 9 -6.863 5.051 -1.397 1.00 0.00 ATOM 75 CA ALA A 9 -5.938 6.099 -1.814 1.00 0.00 ATOM 76 CB ALA A 9 -6.021 7.281 -0.859 1.00 0.00 ATOM 77 O ALA A 9 -3.729 5.946 -2.728 1.00 0.00 ATOM 78 C ALA A 9 -4.500 5.609 -1.829 1.00 0.00 ATOM 79 N ILE A 10 -4.158 4.813 -0.848 1.00 0.00 ATOM 80 CA ILE A 10 -2.805 4.262 -0.764 1.00 0.00 ATOM 81 CB ILE A 10 -2.590 3.610 0.615 1.00 0.00 ATOM 82 CG1 ILE A 10 -2.612 4.670 1.705 1.00 0.00 ATOM 83 CG2 ILE A 10 -1.268 2.789 0.599 1.00 0.00 ATOM 84 CD1 ILE A 10 -2.737 4.048 3.088 1.00 0.00 ATOM 85 O ILE A 10 -1.474 3.250 -2.474 1.00 0.00 ATOM 86 C ILE A 10 -2.563 3.303 -1.924 1.00 0.00 ATOM 87 N LEU A 11 -3.570 2.515 -2.290 1.00 0.00 ATOM 88 CA LEU A 11 -3.392 1.579 -3.391 1.00 0.00 ATOM 89 CB LEU A 11 -4.653 0.749 -3.576 1.00 0.00 ATOM 90 CG LEU A 11 -4.861 -0.279 -2.465 1.00 0.00 ATOM 91 CD1 LEU A 11 -6.306 -0.750 -2.474 1.00 0.00 ATOM 92 CD2 LEU A 11 -3.929 -1.448 -2.572 1.00 0.00 ATOM 93 O LEU A 11 -2.233 1.877 -5.447 1.00 0.00 ATOM 94 C LEU A 11 -3.057 2.343 -4.676 1.00 0.00 ATOM 95 N LYS A 12 -3.742 3.480 -4.912 1.00 0.00 ATOM 96 CA LYS A 12 -3.430 4.290 -6.070 1.00 0.00 ATOM 97 CB LYS A 12 -4.259 5.523 -6.141 1.00 0.00 ATOM 98 CG LYS A 12 -5.644 5.243 -6.724 1.00 0.00 ATOM 99 CD LYS A 12 -6.509 6.492 -6.658 1.00 0.00 ATOM 100 CE LYS A 12 -7.845 6.288 -7.356 1.00 0.00 ATOM 101 NZ LYS A 12 -8.824 7.346 -6.963 1.00 0.00 ATOM 102 O LYS A 12 -1.278 4.758 -7.025 1.00 0.00 ATOM 103 C LYS A 12 -1.986 4.788 -6.023 1.00 0.00 ATOM 104 N GLU A 13 -1.537 5.234 -4.845 1.00 0.00 ATOM 105 CA GLU A 13 -0.174 5.718 -4.678 1.00 0.00 ATOM 106 CB GLU A 13 0.038 6.218 -3.247 1.00 0.00 ATOM 107 CG GLU A 13 1.420 6.797 -2.992 1.00 0.00 ATOM 108 CD GLU A 13 1.575 7.335 -1.582 1.00 0.00 ATOM 109 OE1 GLU A 13 0.593 7.271 -0.812 1.00 0.00 ATOM 110 OE2 GLU A 13 2.676 7.818 -1.248 1.00 0.00 ATOM 111 O GLU A 13 1.825 4.792 -5.650 1.00 0.00 ATOM 112 C GLU A 13 0.822 4.600 -4.951 1.00 0.00 ATOM 113 N ILE A 14 0.526 3.424 -4.401 1.00 0.00 ATOM 114 CA ILE A 14 1.399 2.261 -4.529 1.00 0.00 ATOM 115 CB ILE A 14 1.073 1.191 -3.469 1.00 0.00 ATOM 116 CG1 ILE A 14 2.260 0.243 -3.286 1.00 0.00 ATOM 117 CG2 ILE A 14 -0.137 0.374 -3.892 1.00 0.00 ATOM 118 CD1 ILE A 14 3.484 0.903 -2.693 1.00 0.00 ATOM 119 O ILE A 14 2.275 0.814 -6.222 1.00 0.00 ATOM 120 C ILE A 14 1.336 1.524 -5.862 1.00 0.00 ATOM 121 N PHE A 15 0.222 1.658 -6.570 1.00 0.00 ATOM 122 CA PHE A 15 0.042 0.966 -7.843 1.00 0.00 ATOM 123 CB PHE A 15 -0.973 1.834 -8.837 1.00 0.00 ATOM 124 CG PHE A 15 -1.826 1.013 -9.820 1.00 0.00 ATOM 125 CD1 PHE A 15 -3.031 0.485 -9.434 1.00 0.00 ATOM 126 CD2 PHE A 15 -1.338 0.800 -11.087 1.00 0.00 ATOM 127 CE1 PHE A 15 -3.778 -0.277 -10.347 1.00 0.00 ATOM 128 CE2 PHE A 15 -2.076 0.043 -12.002 1.00 0.00 ATOM 129 CZ PHE A 15 -3.285 -0.477 -11.605 1.00 0.00 ATOM 130 O PHE A 15 1.712 0.400 -9.479 1.00 0.00 ATOM 131 C PHE A 15 1.117 1.301 -8.893 1.00 0.00 ATOM 132 N GLU A 16 1.387 2.597 -9.133 1.00 0.00 ATOM 133 CA GLU A 16 2.405 2.969 -10.125 1.00 0.00 ATOM 134 CB GLU A 16 2.354 4.693 -9.948 1.00 0.00 ATOM 135 CG GLU A 16 3.464 5.070 -8.969 1.00 0.00 ATOM 136 CD GLU A 16 3.471 6.563 -8.706 1.00 0.00 ATOM 137 OE1 GLU A 16 2.621 7.040 -7.922 1.00 0.00 ATOM 138 OE2 GLU A 16 4.303 7.274 -9.303 1.00 0.00 ATOM 139 O GLU A 16 4.654 2.192 -10.518 1.00 0.00 ATOM 140 C GLU A 16 3.729 2.301 -9.715 1.00 0.00 ATOM 141 N GLY A 17 3.938 1.702 -8.365 1.00 0.00 ATOM 142 CA GLY A 17 5.167 1.074 -7.901 1.00 0.00 ATOM 143 O GLY A 17 5.603 0.137 -5.744 1.00 0.00 ATOM 144 C GLY A 17 5.743 1.103 -6.493 1.00 0.00 ATOM 145 N ASN A 18 6.398 2.197 -6.126 1.00 0.00 ATOM 146 CA ASN A 18 6.992 2.290 -4.794 1.00 0.00 ATOM 147 CB ASN A 18 8.374 1.635 -4.775 1.00 0.00 ATOM 148 CG ASN A 18 9.351 2.309 -5.718 1.00 0.00 ATOM 149 ND2 ASN A 18 9.701 1.619 -6.798 1.00 0.00 ATOM 150 OD1 ASN A 18 9.784 3.435 -5.476 1.00 0.00 ATOM 151 O ASN A 18 7.195 4.646 -5.143 1.00 0.00 ATOM 152 C ASN A 18 7.158 3.728 -4.331 1.00 0.00 ATOM 153 N THR A 19 7.254 3.914 -3.021 1.00 0.00 ATOM 154 CA THR A 19 7.431 5.246 -2.460 1.00 0.00 ATOM 155 CB THR A 19 6.117 6.048 -2.467 1.00 0.00 ATOM 156 CG2 THR A 19 5.087 5.390 -1.561 1.00 0.00 ATOM 157 OG1 THR A 19 6.363 7.380 -2.000 1.00 0.00 ATOM 158 O THR A 19 7.678 4.143 -0.347 1.00 0.00 ATOM 159 C THR A 19 7.907 5.150 -1.021 1.00 0.00 ATOM 160 N PRO A 20 8.646 6.167 -0.548 1.00 0.00 ATOM 161 CA PRO A 20 9.110 6.119 0.837 1.00 0.00 ATOM 162 CB PRO A 20 10.022 7.341 0.964 1.00 0.00 ATOM 163 CG PRO A 20 10.418 7.658 -0.439 1.00 0.00 ATOM 164 CD PRO A 20 9.225 7.334 -1.293 1.00 0.00 ATOM 165 O PRO A 20 6.932 6.796 1.505 1.00 0.00 ATOM 166 C PRO A 20 7.923 6.151 1.795 1.00 0.00 ATOM 167 N LEU A 21 8.030 5.457 2.913 1.00 0.00 ATOM 168 CA LEU A 21 6.957 5.470 3.905 1.00 0.00 ATOM 169 CB LEU A 21 7.440 4.739 5.160 1.00 0.00 ATOM 170 CG LEU A 21 6.444 4.644 6.316 1.00 0.00 ATOM 171 CD1 LEU A 21 5.218 3.843 5.905 1.00 0.00 ATOM 172 CD2 LEU A 21 7.077 3.960 7.517 1.00 0.00 ATOM 173 O LEU A 21 5.443 7.199 4.602 1.00 0.00 ATOM 174 C LEU A 21 6.609 6.887 4.354 1.00 0.00 ATOM 175 N SER A 22 7.601 7.738 4.435 1.00 0.00 ATOM 176 CA SER A 22 7.399 9.122 4.856 1.00 0.00 ATOM 177 CB SER A 22 8.755 9.772 5.173 1.00 0.00 ATOM 178 OG SER A 22 9.500 9.966 3.985 1.00 0.00 ATOM 179 O SER A 22 6.003 10.973 4.172 1.00 0.00 ATOM 180 C SER A 22 6.573 9.922 3.827 1.00 0.00 ATOM 181 N GLU A 23 6.501 9.469 2.572 1.00 0.00 ATOM 182 CA GLU A 23 5.691 10.167 1.573 1.00 0.00 ATOM 183 CB GLU A 23 5.931 9.574 0.184 1.00 0.00 ATOM 184 CG GLU A 23 7.325 9.827 -0.366 1.00 0.00 ATOM 185 CD GLU A 23 7.627 11.304 -0.531 1.00 0.00 ATOM 186 OE1 GLU A 23 6.836 12.002 -1.199 1.00 0.00 ATOM 187 OE2 GLU A 23 8.656 11.763 0.010 1.00 0.00 ATOM 188 O GLU A 23 3.474 11.053 1.856 1.00 0.00 ATOM 189 C GLU A 23 4.199 10.060 1.891 1.00 0.00 ATOM 190 N ASN A 24 2.301 11.516 3.541 1.00 0.00 ATOM 191 CA ASN A 24 1.958 12.899 3.239 1.00 0.00 ATOM 192 CB ASN A 24 3.210 13.690 2.849 1.00 0.00 ATOM 193 CG ASN A 24 4.110 13.977 4.034 1.00 0.00 ATOM 194 ND2 ASN A 24 5.371 14.289 3.756 1.00 0.00 ATOM 195 OD1 ASN A 24 3.675 13.919 5.185 1.00 0.00 ATOM 196 O ASN A 24 -0.033 13.783 2.245 1.00 0.00 ATOM 197 C ASN A 24 0.961 13.082 2.091 1.00 0.00 ATOM 198 N ASP A 25 1.208 12.445 0.951 1.00 0.00 ATOM 199 CA ASP A 25 0.310 12.613 -0.189 1.00 0.00 ATOM 200 CB ASP A 25 0.866 11.895 -1.419 1.00 0.00 ATOM 201 CG ASP A 25 2.065 12.605 -2.016 1.00 0.00 ATOM 202 OD1 ASP A 25 2.315 13.769 -1.638 1.00 0.00 ATOM 203 OD2 ASP A 25 2.755 11.999 -2.862 1.00 0.00 ATOM 204 O ASP A 25 -2.089 12.649 -0.431 1.00 0.00 ATOM 205 C ASP A 25 -1.108 12.062 0.038 1.00 0.00 ATOM 206 N ILE A 26 -1.228 10.956 0.767 1.00 0.00 ATOM 207 CA ILE A 26 -2.543 10.371 1.030 1.00 0.00 ATOM 208 CB ILE A 26 -2.470 8.835 1.120 1.00 0.00 ATOM 209 CG1 ILE A 26 -1.613 8.412 2.315 1.00 0.00 ATOM 210 CG2 ILE A 26 -1.853 8.257 -0.144 1.00 0.00 ATOM 211 CD1 ILE A 26 -1.662 6.929 2.607 1.00 0.00 ATOM 212 O ILE A 26 -4.317 10.656 2.589 1.00 0.00 ATOM 213 C ILE A 26 -3.182 10.976 2.280 1.00 0.00 ATOM 214 N GLY A 27 -2.414 11.846 2.998 1.00 0.00 ATOM 215 CA GLY A 27 -2.968 12.481 4.198 1.00 0.00 ATOM 216 O GLY A 27 -4.249 11.703 6.060 1.00 0.00 ATOM 217 C GLY A 27 -3.245 11.548 5.361 1.00 0.00 ATOM 218 N VAL A 28 -2.369 10.550 5.549 1.00 0.00 ATOM 219 CA VAL A 28 -2.539 9.591 6.636 1.00 0.00 ATOM 220 CB VAL A 28 -2.302 8.189 6.044 1.00 0.00 ATOM 221 CG1 VAL A 28 -2.411 7.128 7.128 1.00 0.00 ATOM 222 CG2 VAL A 28 -3.334 7.885 4.968 1.00 0.00 ATOM 223 O VAL A 28 -0.368 10.237 7.473 1.00 0.00 ATOM 224 C VAL A 28 -1.508 9.823 7.739 1.00 0.00 ATOM 225 N THR A 29 -1.901 9.541 8.977 1.00 0.00 ATOM 226 CA THR A 29 -0.961 9.570 10.075 1.00 0.00 ATOM 227 CB THR A 29 -1.691 9.472 11.427 1.00 0.00 ATOM 228 CG2 THR A 29 -2.773 10.536 11.528 1.00 0.00 ATOM 229 OG1 THR A 29 -2.298 8.180 11.554 1.00 0.00 ATOM 230 O THR A 29 -0.234 7.375 9.392 1.00 0.00 ATOM 231 C THR A 29 0.065 8.437 9.945 1.00 0.00 ATOM 232 N GLU A 30 1.292 8.651 10.442 1.00 0.00 ATOM 233 CA GLU A 30 2.312 7.602 10.347 1.00 0.00 ATOM 234 CB GLU A 30 3.603 8.046 11.036 1.00 0.00 ATOM 235 CG GLU A 30 4.358 9.139 10.296 1.00 0.00 ATOM 236 CD GLU A 30 5.581 9.619 11.054 1.00 0.00 ATOM 237 OE1 GLU A 30 5.798 9.148 12.190 1.00 0.00 ATOM 238 OE2 GLU A 30 6.319 10.467 10.513 1.00 0.00 ATOM 239 O GLU A 30 2.174 5.211 10.566 1.00 0.00 ATOM 240 C GLU A 30 1.840 6.310 11.014 1.00 0.00 ATOM 241 N ASP A 31 1.075 6.461 12.095 1.00 0.00 ATOM 242 CA ASP A 31 0.558 5.316 12.835 1.00 0.00 ATOM 243 CB ASP A 31 -0.150 5.777 14.111 1.00 0.00 ATOM 244 CG ASP A 31 0.819 6.276 15.166 1.00 0.00 ATOM 245 OD1 ASP A 31 2.035 6.040 15.014 1.00 0.00 ATOM 246 OD2 ASP A 31 0.360 6.903 16.144 1.00 0.00 ATOM 247 O ASP A 31 -0.349 3.236 12.061 1.00 0.00 ATOM 248 C ASP A 31 -0.451 4.466 12.078 1.00 0.00 ATOM 249 N GLN A 32 -1.449 5.200 11.473 1.00 0.00 ATOM 250 CA GLN A 32 -2.461 4.480 10.718 1.00 0.00 ATOM 251 CB GLN A 32 -3.402 5.361 9.981 1.00 0.00 ATOM 252 CG GLN A 32 -4.350 6.107 10.865 1.00 0.00 ATOM 253 CD GLN A 32 -5.242 6.991 10.027 1.00 0.00 ATOM 254 OE1 GLN A 32 -4.765 7.905 9.328 1.00 0.00 ATOM 255 NE2 GLN A 32 -6.533 6.671 10.020 1.00 0.00 ATOM 256 O GLN A 32 -2.129 2.667 9.195 1.00 0.00 ATOM 257 C GLN A 32 -1.850 3.826 9.489 1.00 0.00 ATOM 258 N PHE A 33 -1.012 4.574 8.781 1.00 0.00 ATOM 259 CA PHE A 33 -0.362 4.056 7.589 1.00 0.00 ATOM 260 CB PHE A 33 0.440 5.148 6.889 1.00 0.00 ATOM 261 CG PHE A 33 0.917 4.776 5.513 1.00 0.00 ATOM 262 CD1 PHE A 33 2.181 4.222 5.328 1.00 0.00 ATOM 263 CD2 PHE A 33 0.105 4.984 4.399 1.00 0.00 ATOM 264 CE1 PHE A 33 2.631 3.875 4.055 1.00 0.00 ATOM 265 CE2 PHE A 33 0.547 4.639 3.120 1.00 0.00 ATOM 266 CZ PHE A 33 1.812 4.086 2.949 1.00 0.00 ATOM 267 O PHE A 33 0.413 1.777 7.238 1.00 0.00 ATOM 268 C PHE A 33 0.396 2.785 7.938 1.00 0.00 ATOM 269 N ASP A 34 1.134 2.836 9.083 1.00 0.00 ATOM 270 CA ASP A 34 1.924 1.678 9.507 1.00 0.00 ATOM 271 CB ASP A 34 2.592 1.983 10.850 1.00 0.00 ATOM 272 CG ASP A 34 3.762 2.937 10.714 1.00 0.00 ATOM 273 OD1 ASP A 34 4.200 3.181 9.570 1.00 0.00 ATOM 274 OD2 ASP A 34 4.241 3.440 11.752 1.00 0.00 ATOM 275 O ASP A 34 1.396 -0.655 9.267 1.00 0.00 ATOM 276 C ASP A 34 1.048 0.441 9.709 1.00 0.00 ATOM 277 N ASP A 35 -0.096 0.614 10.364 1.00 0.00 ATOM 278 CA ASP A 35 -0.993 -0.505 10.605 1.00 0.00 ATOM 279 CB ASP A 35 -2.176 -0.068 11.470 1.00 0.00 ATOM 280 CG ASP A 35 -1.786 0.167 12.917 1.00 0.00 ATOM 281 OD1 ASP A 35 -0.668 -0.233 13.302 1.00 0.00 ATOM 282 OD2 ASP A 35 -2.601 0.749 13.663 1.00 0.00 ATOM 283 O ASP A 35 -1.587 -2.332 9.123 1.00 0.00 ATOM 284 C ASP A 35 -1.526 -1.084 9.295 1.00 0.00 ATOM 285 N ALA A 36 -1.946 -0.220 8.371 1.00 0.00 ATOM 286 CA ALA A 36 -2.504 -0.689 7.124 1.00 0.00 ATOM 287 CB ALA A 36 -3.029 0.477 6.302 1.00 0.00 ATOM 288 O ALA A 36 -1.779 -2.388 5.601 1.00 0.00 ATOM 289 C ALA A 36 -1.450 -1.414 6.279 1.00 0.00 ATOM 290 N VAL A 37 -0.237 -0.876 6.320 1.00 0.00 ATOM 291 CA VAL A 37 0.875 -1.447 5.537 1.00 0.00 ATOM 292 CB VAL A 37 2.177 -0.865 5.580 1.00 0.00 ATOM 293 CG1 VAL A 37 2.110 0.418 4.763 1.00 0.00 ATOM 294 CG2 VAL A 37 2.669 -0.628 6.996 1.00 0.00 ATOM 295 O VAL A 37 1.395 -3.774 5.226 1.00 0.00 ATOM 296 C VAL A 37 1.143 -2.871 6.027 1.00 0.00 ATOM 297 N ASN A 38 1.082 -3.065 7.344 1.00 0.00 ATOM 298 CA ASN A 38 1.298 -4.384 7.943 1.00 0.00 ATOM 299 CB ASN A 38 1.224 -4.298 9.469 1.00 0.00 ATOM 300 CG ASN A 38 2.438 -3.622 10.075 1.00 0.00 ATOM 301 ND2 ASN A 38 2.294 -3.139 11.304 1.00 0.00 ATOM 302 OD1 ASN A 38 3.492 -3.538 9.444 1.00 0.00 ATOM 303 O ASN A 38 0.561 -6.497 7.055 1.00 0.00 ATOM 304 C ASN A 38 0.228 -5.357 7.454 1.00 0.00 ATOM 305 N PHE A 39 -1.012 -4.958 7.472 1.00 0.00 ATOM 306 CA PHE A 39 -2.103 -5.801 6.964 1.00 0.00 ATOM 307 CB PHE A 39 -3.442 -5.065 7.054 1.00 0.00 ATOM 308 CG PHE A 39 -4.610 -5.871 6.562 1.00 0.00 ATOM 309 CD1 PHE A 39 -5.185 -6.841 7.362 1.00 0.00 ATOM 310 CD2 PHE A 39 -5.134 -5.656 5.299 1.00 0.00 ATOM 311 CE1 PHE A 39 -6.260 -7.583 6.910 1.00 0.00 ATOM 312 CE2 PHE A 39 -6.210 -6.398 4.846 1.00 0.00 ATOM 313 CZ PHE A 39 -6.772 -7.357 5.646 1.00 0.00 ATOM 314 O PHE A 39 -1.948 -7.379 5.136 1.00 0.00 ATOM 315 C PHE A 39 -1.848 -6.204 5.505 1.00 0.00 ATOM 316 N LEU A 40 -1.520 -5.193 4.713 1.00 0.00 ATOM 317 CA LEU A 40 -1.277 -5.426 3.297 1.00 0.00 ATOM 318 CB LEU A 40 -1.008 -4.105 2.574 1.00 0.00 ATOM 319 CG LEU A 40 -2.198 -3.154 2.433 1.00 0.00 ATOM 320 CD1 LEU A 40 -1.753 -1.815 1.866 1.00 0.00 ATOM 321 CD2 LEU A 40 -3.247 -3.741 1.503 1.00 0.00 ATOM 322 O LEU A 40 -0.143 -7.275 2.229 1.00 0.00 ATOM 323 C LEU A 40 -0.085 -6.354 3.060 1.00 0.00 ATOM 324 N LYS A 41 0.990 -6.138 3.803 1.00 0.00 ATOM 325 CA LYS A 41 2.189 -6.950 3.655 1.00 0.00 ATOM 326 CB LYS A 41 3.364 -6.359 4.438 1.00 0.00 ATOM 327 CG LYS A 41 4.673 -7.110 4.254 1.00 0.00 ATOM 328 CD LYS A 41 5.814 -6.419 4.981 1.00 0.00 ATOM 329 CE LYS A 41 7.117 -7.184 4.817 1.00 0.00 ATOM 330 NZ LYS A 41 8.241 -6.530 5.543 1.00 0.00 ATOM 331 O LYS A 41 2.452 -9.320 3.423 1.00 0.00 ATOM 332 C LYS A 41 1.969 -8.396 4.080 1.00 0.00 ATOM 333 N ARG A 42 1.245 -8.601 5.204 1.00 0.00 ATOM 334 CA ARG A 42 0.982 -9.951 5.686 1.00 0.00 ATOM 335 CB ARG A 42 0.259 -9.928 7.022 1.00 0.00 ATOM 336 CG ARG A 42 1.147 -9.512 8.194 1.00 0.00 ATOM 337 CD ARG A 42 0.338 -9.508 9.485 1.00 0.00 ATOM 338 NE ARG A 42 1.046 -8.776 10.534 1.00 0.00 ATOM 339 CZ ARG A 42 1.120 -9.224 11.781 1.00 0.00 ATOM 340 NH1 ARG A 42 0.532 -10.382 12.083 1.00 0.00 ATOM 341 NH2 ARG A 42 1.758 -8.570 12.733 1.00 0.00 ATOM 342 O ARG A 42 0.232 -11.976 4.650 1.00 0.00 ATOM 343 C ARG A 42 0.199 -10.746 4.654 1.00 0.00 ATOM 344 N GLU A 43 -0.515 -10.042 3.782 1.00 0.00 ATOM 345 CA GLU A 43 -1.304 -10.700 2.754 1.00 0.00 ATOM 346 CB GLU A 43 -2.818 -10.526 3.046 1.00 0.00 ATOM 347 CG GLU A 43 -3.233 -11.112 4.400 1.00 0.00 ATOM 348 CD GLU A 43 -2.964 -12.599 4.487 1.00 0.00 ATOM 349 OE1 GLU A 43 -3.574 -13.359 3.691 1.00 0.00 ATOM 350 OE2 GLU A 43 -2.156 -13.030 5.329 1.00 0.00 ATOM 351 O GLU A 43 -1.129 -11.245 0.429 1.00 0.00 ATOM 352 C GLU A 43 -0.577 -10.749 1.415 1.00 0.00 ATOM 353 N GLY A 44 0.669 -10.238 1.382 1.00 0.00 ATOM 354 CA GLY A 44 1.431 -10.261 0.145 1.00 0.00 ATOM 355 O GLY A 44 1.425 -9.403 -2.080 1.00 0.00 ATOM 356 C GLY A 44 1.033 -9.253 -0.920 1.00 0.00 ATOM 357 N TYR A 45 0.279 -8.223 -0.537 1.00 0.00 ATOM 358 CA TYR A 45 -0.175 -7.198 -1.482 1.00 0.00 ATOM 359 CB TYR A 45 -1.545 -6.616 -1.056 1.00 0.00 ATOM 360 CG TYR A 45 -2.652 -7.622 -0.814 1.00 0.00 ATOM 361 CD1 TYR A 45 -2.609 -8.906 -1.361 1.00 0.00 ATOM 362 CD2 TYR A 45 -3.745 -7.284 -0.020 1.00 0.00 ATOM 363 CE1 TYR A 45 -3.625 -9.824 -1.120 1.00 0.00 ATOM 364 CE2 TYR A 45 -4.760 -8.192 0.226 1.00 0.00 ATOM 365 CZ TYR A 45 -4.695 -9.456 -0.322 1.00 0.00 ATOM 366 OH TYR A 45 -5.703 -10.355 -0.082 1.00 0.00 ATOM 367 O TYR A 45 1.144 -5.711 -2.801 1.00 0.00 ATOM 368 C TYR A 45 0.941 -6.178 -1.686 1.00 0.00 ATOM 369 N ILE A 46 1.655 -5.838 -0.651 1.00 0.00 ATOM 370 CA ILE A 46 2.753 -4.882 -0.776 1.00 0.00 ATOM 371 CB ILE A 46 2.386 -3.535 -0.127 1.00 0.00 ATOM 372 CG1 ILE A 46 2.063 -3.728 1.356 1.00 0.00 ATOM 373 CG2 ILE A 46 1.170 -2.928 -0.809 1.00 0.00 ATOM 374 CD1 ILE A 46 1.903 -2.432 2.120 1.00 0.00 ATOM 375 O ILE A 46 3.782 -6.457 0.716 1.00 0.00 ATOM 376 C ILE A 46 3.929 -5.472 -0.012 1.00 0.00 ATOM 377 N ILE A 47 5.096 -4.879 -0.202 1.00 0.00 ATOM 378 CA ILE A 47 6.292 -5.319 0.490 1.00 0.00 ATOM 379 CB ILE A 47 7.195 -6.118 -0.467 1.00 0.00 ATOM 380 CG1 ILE A 47 7.593 -5.258 -1.669 1.00 0.00 ATOM 381 CG2 ILE A 47 6.467 -7.352 -0.980 1.00 0.00 ATOM 382 CD1 ILE A 47 8.624 -5.905 -2.568 1.00 0.00 ATOM 383 O ILE A 47 6.616 -2.915 0.493 1.00 0.00 ATOM 384 C ILE A 47 6.888 -4.027 1.000 1.00 0.00 ATOM 385 N GLY A 48 7.944 -4.239 1.889 1.00 0.00 ATOM 386 CA GLY A 48 8.583 -3.044 2.403 1.00 0.00 ATOM 387 O GLY A 48 10.281 -4.473 3.319 1.00 0.00 ATOM 388 C GLY A 48 10.011 -3.388 2.764 1.00 0.00 ATOM 389 N VAL A 49 10.729 -2.354 2.564 1.00 0.00 ATOM 390 CA VAL A 49 12.143 -2.558 2.846 1.00 0.00 ATOM 391 CB VAL A 49 12.836 -3.176 1.617 1.00 0.00 ATOM 392 CG1 VAL A 49 12.797 -2.212 0.442 1.00 0.00 ATOM 393 CG2 VAL A 49 14.289 -3.497 1.931 1.00 0.00 ATOM 394 O VAL A 49 12.790 -0.296 2.468 1.00 0.00 ATOM 395 C VAL A 49 12.898 -1.285 3.195 1.00 0.00 ATOM 396 N HIS A 50 13.671 -1.322 4.266 1.00 0.00 ATOM 397 CA HIS A 50 14.554 -0.230 4.618 1.00 0.00 ATOM 398 CB HIS A 50 15.131 -0.418 6.024 1.00 0.00 ATOM 399 CG HIS A 50 14.091 -0.588 7.086 1.00 0.00 ATOM 400 CD2 HIS A 50 13.564 -1.706 7.854 1.00 0.00 ATOM 401 ND1 HIS A 50 13.350 0.465 7.579 1.00 0.00 ATOM 402 CE1 HIS A 50 12.504 0.005 8.516 1.00 0.00 ATOM 403 NE2 HIS A 50 12.626 -1.297 8.687 1.00 0.00 ATOM 404 O HIS A 50 16.649 -0.707 3.591 1.00 0.00 ATOM 405 C HIS A 50 15.701 0.063 3.680 1.00 0.00 ATOM 406 N TYR A 51 15.628 1.245 2.835 1.00 0.00 ATOM 407 CA TYR A 51 16.688 1.700 1.962 1.00 0.00 ATOM 408 CB TYR A 51 16.335 2.503 0.864 1.00 0.00 ATOM 409 CG TYR A 51 16.208 1.452 -0.240 1.00 0.00 ATOM 410 CD1 TYR A 51 17.338 0.833 -0.764 1.00 0.00 ATOM 411 CD2 TYR A 51 14.955 1.035 -0.706 1.00 0.00 ATOM 412 CE1 TYR A 51 17.255 -0.180 -1.740 1.00 0.00 ATOM 413 CE2 TYR A 51 14.867 0.039 -1.699 1.00 0.00 ATOM 414 CZ TYR A 51 16.018 -0.571 -2.167 1.00 0.00 ATOM 415 OH TYR A 51 15.909 -1.579 -3.099 1.00 0.00 ATOM 416 O TYR A 51 17.359 3.624 3.226 1.00 0.00 ATOM 417 C TYR A 51 17.634 2.475 2.869 1.00 0.00 ATOM 418 N SER A 52 18.716 1.812 3.280 1.00 0.00 ATOM 419 CA SER A 52 19.673 2.442 4.163 1.00 0.00 ATOM 420 CB SER A 52 20.743 1.422 4.609 1.00 0.00 ATOM 421 OG SER A 52 21.770 1.269 3.648 1.00 0.00 ATOM 422 O SER A 52 20.649 4.616 4.252 1.00 0.00 ATOM 423 C SER A 52 20.318 3.672 3.543 1.00 0.00 ATOM 424 N ASP A 53 20.502 3.693 2.235 1.00 0.00 ATOM 425 CA ASP A 53 21.135 4.811 1.539 1.00 0.00 ATOM 426 CB ASP A 53 21.497 4.765 0.132 1.00 0.00 ATOM 427 CG ASP A 53 20.266 4.701 -0.733 1.00 0.00 ATOM 428 OD1 ASP A 53 19.154 4.421 -0.196 1.00 0.00 ATOM 429 OD2 ASP A 53 20.349 4.828 -1.998 1.00 0.00 ATOM 430 O ASP A 53 21.061 7.210 1.515 1.00 0.00 ATOM 431 C ASP A 53 20.468 6.167 1.770 1.00 0.00 ATOM 432 N ASP A 54 19.186 6.165 2.126 1.00 0.00 ATOM 433 CA ASP A 54 18.521 7.439 2.373 1.00 0.00 ATOM 434 CB ASP A 54 17.596 7.799 1.221 1.00 0.00 ATOM 435 CG ASP A 54 17.266 9.287 1.184 1.00 0.00 ATOM 436 OD1 ASP A 54 17.594 10.020 2.140 1.00 0.00 ATOM 437 OD2 ASP A 54 16.664 9.730 0.183 1.00 0.00 ATOM 438 O ASP A 54 17.468 6.030 4.060 1.00 0.00 ATOM 439 C ASP A 54 17.416 7.087 3.417 1.00 0.00 ATOM 440 N ARG A 55 16.473 8.114 3.569 1.00 0.00 ATOM 441 CA ARG A 55 15.399 7.921 4.554 1.00 0.00 ATOM 442 CB ARG A 55 14.767 9.274 4.840 1.00 0.00 ATOM 443 CG ARG A 55 15.763 10.244 5.494 1.00 0.00 ATOM 444 CD ARG A 55 15.113 11.606 5.796 1.00 0.00 ATOM 445 NE ARG A 55 14.476 12.227 4.648 1.00 0.00 ATOM 446 CZ ARG A 55 13.144 12.280 4.465 1.00 0.00 ATOM 447 NH1 ARG A 55 12.318 11.741 5.375 1.00 0.00 ATOM 448 NH2 ARG A 55 12.644 12.869 3.393 1.00 0.00 ATOM 449 O ARG A 55 14.264 6.892 2.690 1.00 0.00 ATOM 450 C ARG A 55 14.425 6.960 3.897 1.00 0.00 ATOM 451 N PRO A 56 14.893 5.763 5.029 1.00 0.00 ATOM 452 CA PRO A 56 15.102 4.439 4.456 1.00 0.00 ATOM 453 CB PRO A 56 15.199 3.507 5.592 1.00 0.00 ATOM 454 CG PRO A 56 14.342 4.133 6.621 1.00 0.00 ATOM 455 CD PRO A 56 14.728 5.590 6.534 1.00 0.00 ATOM 456 O PRO A 56 14.125 3.272 2.621 1.00 0.00 ATOM 457 C PRO A 56 13.934 3.866 3.679 1.00 0.00 ATOM 458 N HIS A 57 12.604 3.648 4.472 1.00 0.00 ATOM 459 CA HIS A 57 11.819 2.451 4.283 1.00 0.00 ATOM 460 CB HIS A 57 10.990 2.228 5.525 1.00 0.00 ATOM 461 CG HIS A 57 10.274 0.927 5.556 1.00 0.00 ATOM 462 CD2 HIS A 57 10.588 -0.342 5.831 1.00 0.00 ATOM 463 ND1 HIS A 57 8.943 0.903 5.230 1.00 0.00 ATOM 464 CE1 HIS A 57 8.454 -0.330 5.304 1.00 0.00 ATOM 465 NE2 HIS A 57 9.462 -1.101 5.682 1.00 0.00 ATOM 466 O HIS A 57 10.325 3.747 2.922 1.00 0.00 ATOM 467 C HIS A 57 10.998 2.719 3.031 1.00 0.00 ATOM 468 N LEU A 58 11.069 1.799 2.078 1.00 0.00 ATOM 469 CA LEU A 58 10.323 1.942 0.840 1.00 0.00 ATOM 470 CB LEU A 58 11.142 1.359 -0.267 1.00 0.00 ATOM 471 CG LEU A 58 10.581 1.362 -1.640 1.00 0.00 ATOM 472 CD1 LEU A 58 10.270 2.765 -2.081 1.00 0.00 ATOM 473 CD2 LEU A 58 11.588 0.762 -2.643 1.00 0.00 ATOM 474 O LEU A 58 9.277 -0.179 1.302 1.00 0.00 ATOM 475 C LEU A 58 9.156 0.955 0.824 1.00 0.00 ATOM 476 N TYR A 59 8.016 1.411 0.313 1.00 0.00 ATOM 477 CA TYR A 59 6.834 0.566 0.200 1.00 0.00 ATOM 478 CB TYR A 59 5.688 1.152 0.536 1.00 0.00 ATOM 479 CG TYR A 59 5.557 0.602 1.936 1.00 0.00 ATOM 480 CD1 TYR A 59 5.469 -0.772 2.154 1.00 0.00 ATOM 481 CD2 TYR A 59 5.600 1.446 3.046 1.00 0.00 ATOM 482 CE1 TYR A 59 5.433 -1.294 3.448 1.00 0.00 ATOM 483 CE2 TYR A 59 5.567 0.935 4.342 1.00 0.00 ATOM 484 CZ TYR A 59 5.486 -0.437 4.532 1.00 0.00 ATOM 485 OH TYR A 59 5.470 -0.948 5.811 1.00 0.00 ATOM 486 O TYR A 59 6.647 1.236 -2.084 1.00 0.00 ATOM 487 C TYR A 59 6.667 0.306 -1.287 1.00 0.00 ATOM 488 N LYS A 60 6.558 -0.960 -1.665 1.00 0.00 ATOM 489 CA LYS A 60 6.412 -1.307 -3.068 1.00 0.00 ATOM 490 CB LYS A 60 7.662 -2.020 -3.589 1.00 0.00 ATOM 491 CG LYS A 60 7.612 -2.358 -5.068 1.00 0.00 ATOM 492 CD LYS A 60 8.898 -3.030 -5.526 1.00 0.00 ATOM 493 CE LYS A 60 8.844 -3.377 -7.004 1.00 0.00 ATOM 494 NZ LYS A 60 10.102 -4.021 -7.469 1.00 0.00 ATOM 495 O LYS A 60 5.131 -3.267 -2.591 1.00 0.00 ATOM 496 C LYS A 60 5.244 -2.252 -3.276 1.00 0.00 ATOM 497 N LEU A 61 4.388 -1.933 -4.240 1.00 0.00 ATOM 498 CA LEU A 61 3.251 -2.791 -4.542 1.00 0.00 ATOM 499 CB LEU A 61 2.308 -2.070 -5.504 1.00 0.00 ATOM 500 CG LEU A 61 0.950 -2.723 -5.778 1.00 0.00 ATOM 501 CD1 LEU A 61 0.051 -2.576 -4.553 1.00 0.00 ATOM 502 CD2 LEU A 61 0.300 -2.109 -7.017 1.00 0.00 ATOM 503 O LEU A 61 4.598 -3.825 -6.244 1.00 0.00 ATOM 504 C LEU A 61 3.775 -3.987 -5.337 1.00 0.00 ATOM 505 N GLY A 62 3.320 -5.188 -4.989 1.00 0.00 ATOM 506 CA GLY A 62 3.769 -6.390 -5.677 1.00 0.00 ATOM 507 O GLY A 62 1.919 -5.947 -7.123 1.00 0.00 ATOM 508 C GLY A 62 2.936 -6.610 -6.927 1.00 0.00 ATOM 509 N PRO A 63 3.373 -7.537 -7.773 1.00 0.00 ATOM 510 CA PRO A 63 2.635 -7.843 -8.991 1.00 0.00 ATOM 511 CB PRO A 63 3.499 -8.893 -9.692 1.00 0.00 ATOM 512 CG PRO A 63 4.889 -8.598 -9.238 1.00 0.00 ATOM 513 CD PRO A 63 4.779 -8.196 -7.795 1.00 0.00 ATOM 514 O PRO A 63 0.250 -8.007 -9.208 1.00 0.00 ATOM 515 C PRO A 63 1.258 -8.367 -8.598 1.00 0.00 ATOM 516 N GLU A 64 1.212 -9.197 -7.558 1.00 0.00 ATOM 517 CA GLU A 64 -0.059 -9.726 -7.076 1.00 0.00 ATOM 518 CB GLU A 64 0.172 -10.712 -5.930 1.00 0.00 ATOM 519 CG GLU A 64 0.832 -12.014 -6.354 1.00 0.00 ATOM 520 CD GLU A 64 1.175 -12.904 -5.177 1.00 0.00 ATOM 521 OE1 GLU A 64 0.959 -12.474 -4.025 1.00 0.00 ATOM 522 OE2 GLU A 64 1.658 -14.033 -5.406 1.00 0.00 ATOM 523 O GLU A 64 -2.134 -8.575 -6.744 1.00 0.00 ATOM 524 C GLU A 64 -0.918 -8.579 -6.559 1.00 0.00 ATOM 525 N LEU A 65 -0.297 -7.651 -5.844 1.00 0.00 ATOM 526 CA LEU A 65 -1.022 -6.499 -5.315 1.00 0.00 ATOM 527 CB LEU A 65 -0.131 -5.532 -4.535 1.00 0.00 ATOM 528 CG LEU A 65 -0.865 -4.257 -4.067 1.00 0.00 ATOM 529 CD1 LEU A 65 -2.041 -4.623 -3.162 1.00 0.00 ATOM 530 CD2 LEU A 65 0.109 -3.301 -3.340 1.00 0.00 ATOM 531 O LEU A 65 -2.819 -5.300 -6.346 1.00 0.00 ATOM 532 C LEU A 65 -1.660 -5.703 -6.439 1.00 0.00 ATOM 533 N THR A 66 -0.906 -5.461 -7.507 1.00 0.00 ATOM 534 CA THR A 66 -1.441 -4.716 -8.643 1.00 0.00 ATOM 535 CB THR A 66 -0.396 -4.573 -9.766 1.00 0.00 ATOM 536 CG2 THR A 66 -0.990 -3.835 -10.956 1.00 0.00 ATOM 537 OG1 THR A 66 0.734 -3.836 -9.280 1.00 0.00 ATOM 538 O THR A 66 -3.687 -4.768 -9.497 1.00 0.00 ATOM 539 C THR A 66 -2.669 -5.409 -9.240 1.00 0.00 ATOM 540 N GLU A 67 -2.579 -6.717 -9.464 1.00 0.00 ATOM 541 CA GLU A 67 -3.707 -7.449 -10.039 1.00 0.00 ATOM 542 CB GLU A 67 -3.301 -8.890 -10.356 1.00 0.00 ATOM 543 CG GLU A 67 -2.319 -9.019 -11.509 1.00 0.00 ATOM 544 CD GLU A 67 -1.847 -10.444 -11.716 1.00 0.00 ATOM 545 OE1 GLU A 67 -2.231 -11.320 -10.912 1.00 0.00 ATOM 546 OE2 GLU A 67 -1.093 -10.686 -12.681 1.00 0.00 ATOM 547 O GLU A 67 -6.063 -7.410 -9.601 1.00 0.00 ATOM 548 C GLU A 67 -4.931 -7.529 -9.129 1.00 0.00 ATOM 549 N LYS A 68 -4.711 -7.766 -7.840 1.00 0.00 ATOM 550 CA LYS A 68 -5.816 -7.865 -6.891 1.00 0.00 ATOM 551 CB LYS A 68 -5.293 -8.212 -5.495 1.00 0.00 ATOM 552 CG LYS A 68 -6.382 -8.394 -4.451 1.00 0.00 ATOM 553 CD LYS A 68 -7.213 -9.635 -4.731 1.00 0.00 ATOM 554 CE LYS A 68 -8.215 -9.894 -3.617 1.00 0.00 ATOM 555 NZ LYS A 68 -9.029 -11.112 -3.874 1.00 0.00 ATOM 556 O LYS A 68 -7.785 -6.513 -6.763 1.00 0.00 ATOM 557 C LYS A 68 -6.558 -6.542 -6.806 1.00 0.00 ATOM 558 N GLY A 69 -5.805 -5.446 -6.753 1.00 0.00 ATOM 559 CA GLY A 69 -6.401 -4.119 -6.674 1.00 0.00 ATOM 560 O GLY A 69 -8.339 -3.334 -7.839 1.00 0.00 ATOM 561 C GLY A 69 -7.224 -3.850 -7.925 1.00 0.00 ATOM 562 N GLU A 70 -6.670 -4.190 -9.088 1.00 0.00 ATOM 563 CA GLU A 70 -7.380 -3.983 -10.348 1.00 0.00 ATOM 564 CB GLU A 70 -6.502 -4.392 -11.532 1.00 0.00 ATOM 565 CG GLU A 70 -5.335 -3.455 -11.792 1.00 0.00 ATOM 566 CD GLU A 70 -4.417 -3.956 -12.890 1.00 0.00 ATOM 567 OE1 GLU A 70 -4.654 -5.073 -13.398 1.00 0.00 ATOM 568 OE2 GLU A 70 -3.463 -3.232 -13.244 1.00 0.00 ATOM 569 O GLU A 70 -9.730 -4.331 -10.790 1.00 0.00 ATOM 570 C GLU A 70 -8.674 -4.818 -10.376 1.00 0.00 ATOM 571 N ASN A 71 -8.576 -6.043 -9.901 1.00 0.00 ATOM 572 CA ASN A 71 -9.759 -6.916 -9.855 1.00 0.00 ATOM 573 CB ASN A 71 -9.388 -8.297 -9.306 1.00 0.00 ATOM 574 CG ASN A 71 -8.573 -9.113 -10.291 1.00 0.00 ATOM 575 ND2 ASN A 71 -7.879 -10.126 -9.784 1.00 0.00 ATOM 576 OD1 ASN A 71 -8.567 -8.835 -11.489 1.00 0.00 ATOM 577 O ASN A 71 -11.998 -6.252 -9.314 1.00 0.00 ATOM 578 C ASN A 71 -10.835 -6.339 -8.940 1.00 0.00 ATOM 579 N TYR A 72 -10.432 -5.926 -7.762 1.00 0.00 ATOM 580 CA TYR A 72 -11.377 -5.299 -6.839 1.00 0.00 ATOM 581 CB TYR A 72 -10.691 -4.820 -5.568 1.00 0.00 ATOM 582 CG TYR A 72 -10.543 -5.880 -4.486 1.00 0.00 ATOM 583 CD1 TYR A 72 -9.288 -6.202 -3.969 1.00 0.00 ATOM 584 CD2 TYR A 72 -11.660 -6.527 -3.955 1.00 0.00 ATOM 585 CE1 TYR A 72 -9.146 -7.144 -2.945 1.00 0.00 ATOM 586 CE2 TYR A 72 -11.530 -7.472 -2.928 1.00 0.00 ATOM 587 CZ TYR A 72 -10.269 -7.772 -2.432 1.00 0.00 ATOM 588 OH TYR A 72 -10.120 -8.694 -1.418 1.00 0.00 ATOM 589 O TYR A 72 -13.183 -3.781 -7.288 1.00 0.00 ATOM 590 C TYR A 72 -11.977 -4.018 -7.405 1.00 0.00 ATOM 591 N LEU A 73 -11.126 -3.165 -7.978 1.00 0.00 ATOM 592 CA LEU A 73 -11.589 -1.904 -8.546 1.00 0.00 ATOM 593 CB LEU A 73 -10.367 -1.038 -8.945 1.00 0.00 ATOM 594 CG LEU A 73 -10.653 0.355 -9.516 1.00 0.00 ATOM 595 CD1 LEU A 73 -11.544 1.153 -8.565 1.00 0.00 ATOM 596 CD2 LEU A 73 -9.330 1.068 -9.752 1.00 0.00 ATOM 597 O LEU A 73 -13.550 -1.414 -9.833 1.00 0.00 ATOM 598 C LEU A 73 -12.573 -2.148 -9.678 1.00 0.00 ATOM 599 N LYS A 74 -12.320 -3.201 -10.469 1.00 0.00 ATOM 600 CA LYS A 74 -13.193 -3.533 -11.583 1.00 0.00 ATOM 601 CB LYS A 74 -12.558 -4.629 -12.441 1.00 0.00 ATOM 602 CG LYS A 74 -11.324 -4.181 -13.207 1.00 0.00 ATOM 603 CD LYS A 74 -10.749 -5.316 -14.040 1.00 0.00 ATOM 604 CE LYS A 74 -9.495 -4.877 -14.779 1.00 0.00 ATOM 605 NZ LYS A 74 -8.907 -5.985 -15.580 1.00 0.00 ATOM 606 O LYS A 74 -15.579 -3.668 -11.695 1.00 0.00 ATOM 607 C LYS A 74 -14.556 -4.019 -11.109 1.00 0.00 ATOM 608 N GLU A 75 -14.565 -4.826 -10.048 1.00 0.00 ATOM 609 CA GLU A 75 -15.822 -5.337 -9.507 1.00 0.00 ATOM 610 CB GLU A 75 -15.552 -6.293 -8.342 1.00 0.00 ATOM 611 CG GLU A 75 -14.939 -7.620 -8.759 1.00 0.00 ATOM 612 CD GLU A 75 -14.573 -8.490 -7.572 1.00 0.00 ATOM 613 OE1 GLU A 75 -14.730 -8.026 -6.424 1.00 0.00 ATOM 614 OE2 GLU A 75 -14.128 -9.637 -7.791 1.00 0.00 ATOM 615 O GLU A 75 -17.904 -4.199 -9.227 1.00 0.00 ATOM 616 C GLU A 75 -16.696 -4.201 -8.998 1.00 0.00 ATOM 617 N ASN A 76 -16.081 -3.205 -8.327 1.00 0.00 ATOM 618 CA ASN A 76 -16.844 -2.074 -7.815 1.00 0.00 ATOM 619 CB ASN A 76 -15.947 -1.153 -6.984 1.00 0.00 ATOM 620 CG ASN A 76 -15.580 -1.753 -5.641 1.00 0.00 ATOM 621 ND2 ASN A 76 -14.499 -1.260 -5.050 1.00 0.00 ATOM 622 OD1 ASN A 76 -16.262 -2.650 -5.145 1.00 0.00 ATOM 623 O ASN A 76 -18.599 -0.892 -8.948 1.00 0.00 ATOM 624 C ASN A 76 -17.430 -1.279 -8.979 1.00 0.00 ATOM 625 N GLY A 77 -16.648 -1.038 -10.025 1.00 0.00 ATOM 626 CA GLY A 77 -17.119 -0.300 -11.158 1.00 0.00 ATOM 627 O GLY A 77 -14.820 0.160 -11.628 1.00 0.00 ATOM 628 C GLY A 77 -15.998 0.411 -11.868 1.00 0.00 ATOM 629 N THR A 78 -16.425 1.337 -12.781 1.00 0.00 ATOM 630 CA THR A 78 -15.493 2.156 -13.507 1.00 0.00 ATOM 631 CB THR A 78 -15.788 2.089 -15.023 1.00 0.00 ATOM 632 CG2 THR A 78 -15.536 0.691 -15.567 1.00 0.00 ATOM 633 OG1 THR A 78 -17.181 2.362 -15.238 1.00 0.00 ATOM 634 O THR A 78 -16.598 4.153 -12.772 1.00 0.00 ATOM 635 C THR A 78 -15.528 3.575 -12.975 1.00 0.00 ATOM 636 N TRP A 79 -14.213 3.892 -12.633 1.00 0.00 ATOM 637 CA TRP A 79 -14.039 5.215 -12.097 1.00 0.00 ATOM 638 CB TRP A 79 -13.460 5.049 -10.682 1.00 0.00 ATOM 639 CG TRP A 79 -14.301 4.279 -9.730 1.00 0.00 ATOM 640 CD1 TRP A 79 -14.416 2.934 -9.640 1.00 0.00 ATOM 641 CD2 TRP A 79 -15.132 4.827 -8.710 1.00 0.00 ATOM 642 CE2 TRP A 79 -15.754 3.744 -8.014 1.00 0.00 ATOM 643 CE3 TRP A 79 -15.427 6.093 -8.284 1.00 0.00 ATOM 644 NE1 TRP A 79 -15.307 2.605 -8.611 1.00 0.00 ATOM 645 CZ2 TRP A 79 -16.620 3.918 -6.982 1.00 0.00 ATOM 646 CZ3 TRP A 79 -16.296 6.279 -7.244 1.00 0.00 ATOM 647 CH2 TRP A 79 -16.904 5.206 -6.567 1.00 0.00 ATOM 648 O TRP A 79 -12.124 5.393 -13.473 1.00 0.00 ATOM 649 C TRP A 79 -13.052 5.971 -12.925 1.00 0.00 ATOM 650 N SER A 80 -13.187 7.277 -12.994 1.00 0.00 ATOM 651 CA SER A 80 -12.253 8.119 -13.732 1.00 0.00 ATOM 652 CB SER A 80 -12.772 9.557 -13.806 1.00 0.00 ATOM 653 OG SER A 80 -12.814 10.151 -12.521 1.00 0.00 ATOM 654 O SER A 80 -9.812 8.285 -13.753 1.00 0.00 ATOM 655 C SER A 80 -10.855 8.191 -13.082 1.00 0.00 ATOM 656 N LYS A 81 -10.826 8.210 -11.741 1.00 0.00 ATOM 657 CA LYS A 81 -9.581 8.124 -11.019 1.00 0.00 ATOM 658 CB LYS A 81 -9.856 8.226 -9.517 1.00 0.00 ATOM 659 CG LYS A 81 -10.397 9.574 -9.075 1.00 0.00 ATOM 660 CD LYS A 81 -10.642 9.606 -7.575 1.00 0.00 ATOM 661 CE LYS A 81 -11.216 10.943 -7.138 1.00 0.00 ATOM 662 NZ LYS A 81 -11.484 10.981 -5.673 1.00 0.00 ATOM 663 O LYS A 81 -7.613 6.831 -11.485 1.00 0.00 ATOM 664 C LYS A 81 -8.832 6.833 -11.342 1.00 0.00 ATOM 665 N ALA A 82 -9.573 5.727 -11.426 1.00 0.00 ATOM 666 CA ALA A 82 -8.957 4.443 -11.745 1.00 0.00 ATOM 667 CB ALA A 82 -10.007 3.342 -11.748 1.00 0.00 ATOM 668 O ALA A 82 -7.185 4.018 -13.307 1.00 0.00 ATOM 669 C ALA A 82 -8.297 4.519 -13.113 1.00 0.00 ATOM 670 N TYR A 83 -8.989 5.135 -14.065 1.00 0.00 ATOM 671 CA TYR A 83 -8.459 5.265 -15.417 1.00 0.00 ATOM 672 CB TYR A 83 -9.389 6.022 -16.315 1.00 0.00 ATOM 673 CG TYR A 83 -10.656 5.290 -16.698 1.00 0.00 ATOM 674 CD1 TYR A 83 -10.653 3.984 -17.139 1.00 0.00 ATOM 675 CD2 TYR A 83 -11.859 5.970 -16.663 1.00 0.00 ATOM 676 CE1 TYR A 83 -11.830 3.354 -17.500 1.00 0.00 ATOM 677 CE2 TYR A 83 -13.032 5.373 -17.064 1.00 0.00 ATOM 678 CZ TYR A 83 -13.019 4.052 -17.474 1.00 0.00 ATOM 679 OH TYR A 83 -14.252 3.532 -17.879 1.00 0.00 ATOM 680 O TYR A 83 -6.210 5.730 -16.108 1.00 0.00 ATOM 681 C TYR A 83 -7.171 6.074 -15.416 1.00 0.00 ATOM 682 N LYS A 84 -7.152 7.151 -14.642 1.00 0.00 ATOM 683 CA LYS A 84 -5.971 8.000 -14.549 1.00 0.00 ATOM 684 CB LYS A 84 -6.159 9.183 -13.676 1.00 0.00 ATOM 685 CG LYS A 84 -7.154 10.162 -14.276 1.00 0.00 ATOM 686 CD LYS A 84 -7.119 11.504 -13.570 1.00 0.00 ATOM 687 CE LYS A 84 -7.936 12.544 -14.321 1.00 0.00 ATOM 688 NZ LYS A 84 -7.810 13.881 -13.676 1.00 0.00 ATOM 689 O LYS A 84 -3.683 7.266 -14.556 1.00 0.00 ATOM 690 C LYS A 84 -4.788 7.204 -14.007 1.00 0.00 ATOM 691 N THR A 85 -5.011 6.466 -12.923 1.00 0.00 ATOM 692 CA THR A 85 -3.941 5.670 -12.323 1.00 0.00 ATOM 693 CB THR A 85 -4.396 5.016 -11.005 1.00 0.00 ATOM 694 CG2 THR A 85 -3.281 4.162 -10.422 1.00 0.00 ATOM 695 OG1 THR A 85 -4.742 6.035 -10.059 1.00 0.00 ATOM 696 O THR A 85 -2.313 4.216 -13.307 1.00 0.00 ATOM 697 C THR A 85 -3.496 4.554 -13.254 1.00 0.00 ATOM 698 N ILE A 86 -4.467 3.913 -13.942 1.00 0.00 ATOM 699 CA ILE A 86 -4.169 2.810 -14.843 1.00 0.00 ATOM 700 CB ILE A 86 -5.416 2.188 -15.455 1.00 0.00 ATOM 701 CG1 ILE A 86 -6.121 1.394 -14.388 1.00 0.00 ATOM 702 CG2 ILE A 86 -5.113 1.323 -16.692 1.00 0.00 ATOM 703 CD1 ILE A 86 -7.583 1.128 -14.666 1.00 0.00 ATOM 704 O ILE A 86 -2.250 2.630 -16.266 1.00 0.00 ATOM 705 C ILE A 86 -3.238 3.292 -15.949 1.00 0.00 ATOM 706 N LYS A 87 -3.558 4.436 -16.543 1.00 0.00 ATOM 707 CA LYS A 87 -2.723 4.984 -17.611 1.00 0.00 ATOM 708 CB LYS A 87 -3.244 6.274 -18.154 1.00 0.00 ATOM 709 CG LYS A 87 -4.405 6.042 -19.092 1.00 0.00 ATOM 710 CD LYS A 87 -4.973 7.338 -19.602 1.00 0.00 ATOM 711 CE LYS A 87 -6.242 7.076 -20.398 1.00 0.00 ATOM 712 NZ LYS A 87 -6.935 8.344 -20.770 1.00 0.00 ATOM 713 O LYS A 87 -0.329 5.019 -17.779 1.00 0.00 ATOM 714 C LYS A 87 -1.317 5.303 -17.104 1.00 0.00 ATOM 715 N GLU A 88 -1.238 5.848 -15.903 1.00 0.00 ATOM 716 CA GLU A 88 0.057 6.183 -15.324 1.00 0.00 ATOM 717 CB GLU A 88 -0.105 6.964 -14.018 1.00 0.00 ATOM 718 CG GLU A 88 -0.650 8.372 -14.202 1.00 0.00 ATOM 719 CD GLU A 88 -0.912 9.071 -12.882 1.00 0.00 ATOM 720 OE1 GLU A 88 -0.737 8.429 -11.825 1.00 0.00 ATOM 721 OE2 GLU A 88 -1.294 10.260 -12.906 1.00 0.00 ATOM 722 O GLU A 88 2.089 4.925 -15.251 1.00 0.00 ATOM 723 C GLU A 88 0.886 4.939 -15.024 1.00 0.00 ATOM 724 N ILE A 89 0.234 3.892 -14.525 1.00 0.00 ATOM 725 CA ILE A 89 0.920 2.644 -14.208 1.00 0.00 ATOM 726 CB ILE A 89 0.029 1.502 -13.884 1.00 0.00 ATOM 727 CG1 ILE A 89 0.874 0.301 -13.457 1.00 0.00 ATOM 728 CG2 ILE A 89 -0.880 1.134 -15.048 1.00 0.00 ATOM 729 CD1 ILE A 89 1.659 0.535 -12.184 1.00 0.00 ATOM 730 O ILE A 89 2.695 1.574 -15.455 1.00 0.00 ATOM 731 C ILE A 89 1.542 2.032 -15.470 1.00 0.00 ATOM 732 N LYS A 90 0.773 2.015 -16.558 1.00 0.00 ATOM 733 CA LYS A 90 1.275 1.439 -17.801 1.00 0.00 ATOM 734 CB LYS A 90 0.185 1.389 -18.860 1.00 0.00 ATOM 735 CG LYS A 90 -0.914 0.387 -18.552 1.00 0.00 ATOM 736 CD LYS A 90 -1.986 0.395 -19.628 1.00 0.00 ATOM 737 CE LYS A 90 -3.082 -0.616 -19.320 1.00 0.00 ATOM 738 NZ LYS A 90 -4.152 -0.615 -20.356 1.00 0.00 ATOM 739 O LYS A 90 3.438 1.694 -18.796 1.00 0.00 ATOM 740 C LYS A 90 2.467 2.254 -18.299 1.00 0.00 ATOM 741 N ASP A 91 2.417 3.598 -18.137 1.00 0.00 ATOM 742 CA ASP A 91 3.520 4.449 -18.581 1.00 0.00 ATOM 743 CB ASP A 91 3.151 5.914 -18.461 1.00 0.00 ATOM 744 CG ASP A 91 2.095 6.386 -19.440 1.00 0.00 ATOM 745 OD1 ASP A 91 1.717 5.664 -20.386 1.00 0.00 ATOM 746 OD2 ASP A 91 1.628 7.536 -19.252 1.00 0.00 ATOM 747 O ASP A 91 5.871 3.974 -18.327 1.00 0.00 ATOM 748 C ASP A 91 4.780 4.135 -17.778 1.00 0.00 ATOM 749 N TRP A 92 4.639 4.034 -16.448 1.00 0.00 ATOM 750 CA TRP A 92 5.783 3.702 -15.595 1.00 0.00 ATOM 751 CB TRP A 92 5.354 3.810 -14.113 1.00 0.00 ATOM 752 CG TRP A 92 6.511 3.620 -13.177 1.00 0.00 ATOM 753 CD1 TRP A 92 7.362 4.578 -12.692 1.00 0.00 ATOM 754 CD2 TRP A 92 6.913 2.390 -12.583 1.00 0.00 ATOM 755 CE2 TRP A 92 8.009 2.668 -11.741 1.00 0.00 ATOM 756 CE3 TRP A 92 6.443 1.071 -12.676 1.00 0.00 ATOM 757 NE1 TRP A 92 8.265 4.013 -11.825 1.00 0.00 ATOM 758 CZ2 TRP A 92 8.654 1.666 -10.986 1.00 0.00 ATOM 759 CZ3 TRP A 92 7.087 0.080 -11.918 1.00 0.00 ATOM 760 CH2 TRP A 92 8.173 0.384 -11.094 1.00 0.00 ATOM 761 O TRP A 92 7.514 2.077 -15.872 1.00 0.00 ATOM 762 C TRP A 92 6.305 2.316 -15.890 1.00 0.00 ATOM 763 N ILE A 93 5.417 1.353 -16.144 1.00 0.00 ATOM 764 CA ILE A 93 5.827 -0.020 -16.439 1.00 0.00 ATOM 765 CB ILE A 93 4.623 -0.954 -16.589 1.00 0.00 ATOM 766 CG1 ILE A 93 3.932 -1.163 -15.225 1.00 0.00 ATOM 767 CG2 ILE A 93 5.015 -2.295 -17.170 1.00 0.00 ATOM 768 CD1 ILE A 93 2.532 -1.766 -15.369 1.00 0.00 ATOM 769 O ILE A 93 7.737 -0.595 -17.755 1.00 0.00 ATOM 770 C ILE A 93 6.644 -0.034 -17.731 1.00 0.00 ATOM 771 N LYS A 94 6.117 0.608 -18.756 1.00 0.00 ATOM 772 CA LYS A 94 6.828 0.633 -20.044 1.00 0.00 ATOM 773 CB LYS A 94 5.970 1.384 -21.085 1.00 0.00 ATOM 774 CG LYS A 94 6.570 1.283 -22.517 1.00 0.00 ATOM 775 CD LYS A 94 6.052 2.450 -23.359 1.00 0.00 ATOM 776 CE LYS A 94 6.108 2.129 -24.854 1.00 0.00 ATOM 777 NZ LYS A 94 5.793 3.380 -25.626 1.00 0.00 ATOM 778 O LYS A 94 9.169 0.809 -20.465 1.00 0.00 ATOM 779 C LYS A 94 8.167 1.313 -19.909 1.00 0.00 ATOM 780 N LEU A 95 8.199 2.445 -19.201 1.00 0.00 ATOM 781 CA LEU A 95 9.438 3.182 -19.026 1.00 0.00 ATOM 782 CB LEU A 95 9.126 4.538 -18.323 1.00 0.00 ATOM 783 CG LEU A 95 10.346 5.400 -17.980 1.00 0.00 ATOM 784 CD1 LEU A 95 11.111 5.774 -19.248 1.00 0.00 ATOM 785 CD2 LEU A 95 9.895 6.648 -17.243 1.00 0.00 ATOM 786 O LEU A 95 11.652 2.392 -18.547 1.00 0.00 ATOM 787 C LEU A 95 10.458 2.351 -18.257 1.00 0.00 ATOM 788 N GLU A 96 9.981 1.591 -17.288 1.00 0.00 ATOM 789 CA GLU A 96 10.877 0.748 -16.506 1.00 0.00 ATOM 790 CB GLU A 96 10.225 0.011 -15.413 1.00 0.00 ATOM 791 CG GLU A 96 11.156 -0.873 -14.608 1.00 0.00 ATOM 792 CD GLU A 96 10.488 -1.424 -13.366 1.00 0.00 ATOM 793 OE1 GLU A 96 9.451 -2.106 -13.501 1.00 0.00 ATOM 794 OE2 GLU A 96 10.996 -1.174 -12.254 1.00 0.00 ATOM 795 O GLU A 96 12.673 -0.599 -17.359 1.00 0.00 ATOM 796 C GLU A 96 11.473 -0.324 -17.406 1.00 0.00 ATOM 797 N HIS A 97 10.626 -0.954 -18.207 1.00 0.00 ATOM 798 CA HIS A 97 11.093 -1.988 -19.117 1.00 0.00 ATOM 799 CB HIS A 97 9.882 -2.613 -19.833 1.00 0.00 ATOM 800 CG HIS A 97 10.316 -3.752 -20.682 1.00 0.00 ATOM 801 CD2 HIS A 97 10.886 -4.949 -20.438 1.00 0.00 ATOM 802 ND1 HIS A 97 10.173 -3.680 -22.030 1.00 0.00 ATOM 803 CE1 HIS A 97 10.651 -4.781 -22.591 1.00 0.00 ATOM 804 NE2 HIS A 97 11.102 -5.600 -21.635 1.00 0.00 ATOM 805 O HIS A 97 13.180 -2.012 -20.358 1.00 0.00 ATOM 806 C HIS A 97 12.114 -1.415 -20.124 1.00 0.00 ATOM 807 N HIS A 98 11.797 -0.261 -20.655 1.00 0.00 ATOM 808 CA HIS A 98 12.693 0.392 -21.603 1.00 0.00 ATOM 809 CB HIS A 98 11.941 1.625 -22.207 1.00 0.00 ATOM 810 CG HIS A 98 12.757 2.253 -23.277 1.00 0.00 ATOM 811 CD2 HIS A 98 13.208 1.850 -24.482 1.00 0.00 ATOM 812 ND1 HIS A 98 13.227 3.517 -23.113 1.00 0.00 ATOM 813 CE1 HIS A 98 13.952 3.865 -24.165 1.00 0.00 ATOM 814 NE2 HIS A 98 13.963 2.859 -25.044 1.00 0.00 ATOM 815 O HIS A 98 15.075 0.574 -21.514 1.00 0.00 ATOM 816 C HIS A 98 14.006 0.783 -20.943 1.00 0.00 ATOM 817 N HIS A 99 13.930 1.378 -19.757 1.00 0.00 ATOM 818 CA HIS A 99 15.144 1.802 -19.068 1.00 0.00 ATOM 819 CB HIS A 99 14.836 2.371 -17.715 1.00 0.00 ATOM 820 CG HIS A 99 16.051 2.715 -16.910 1.00 0.00 ATOM 821 CD2 HIS A 99 16.517 2.212 -15.743 1.00 0.00 ATOM 822 ND1 HIS A 99 16.944 3.695 -17.289 1.00 0.00 ATOM 823 CE1 HIS A 99 17.906 3.781 -16.387 1.00 0.00 ATOM 824 NE2 HIS A 99 17.671 2.893 -15.440 1.00 0.00 ATOM 825 O HIS A 99 17.301 0.771 -18.982 1.00 0.00 ATOM 826 C HIS A 99 16.088 0.641 -18.812 1.00 0.00 ATOM 827 N HIS A 100 15.537 -0.497 -18.404 1.00 0.00 ATOM 828 CA HIS A 100 16.365 -1.662 -18.130 1.00 0.00 ATOM 829 CB HIS A 100 15.407 -2.711 -17.448 1.00 0.00 ATOM 830 CG HIS A 100 14.971 -2.302 -16.077 1.00 0.00 ATOM 831 CD2 HIS A 100 15.348 -1.260 -15.296 1.00 0.00 ATOM 832 ND1 HIS A 100 14.041 -3.007 -15.344 1.00 0.00 ATOM 833 CE1 HIS A 100 13.861 -2.424 -14.180 1.00 0.00 ATOM 834 NE2 HIS A 100 14.644 -1.355 -14.119 1.00 0.00 ATOM 835 O HIS A 100 18.034 -2.886 -19.340 1.00 0.00 ATOM 836 C HIS A 100 16.997 -2.226 -19.398 1.00 0.00 ATOM 837 N HIS A 101 16.397 -1.883 -20.608 1.00 0.00 ATOM 838 CA HIS A 101 16.946 -2.328 -21.885 1.00 0.00 ATOM 839 CB HIS A 101 16.006 -2.381 -22.992 1.00 0.00 ATOM 840 CG HIS A 101 15.435 -3.749 -23.160 1.00 0.00 ATOM 841 CD2 HIS A 101 14.479 -4.407 -22.465 1.00 0.00 ATOM 842 ND1 HIS A 101 15.828 -4.595 -24.174 1.00 0.00 ATOM 843 CE1 HIS A 101 15.138 -5.723 -24.091 1.00 0.00 ATOM 844 NE2 HIS A 101 14.307 -5.631 -23.067 1.00 0.00 ATOM 845 O HIS A 101 19.141 -1.699 -22.657 1.00 0.00 ATOM 846 C HIS A 101 18.024 -1.325 -22.295 1.00 0.00 ATOM 847 N HIS A 102 17.681 -0.054 -22.129 1.00 0.00 ATOM 848 CA HIS A 102 18.603 1.057 -22.473 1.00 0.00 ATOM 849 CB HIS A 102 18.228 1.766 -23.755 1.00 0.00 ATOM 850 CG HIS A 102 18.111 0.742 -24.872 1.00 0.00 ATOM 851 CD2 HIS A 102 17.030 0.068 -25.350 1.00 0.00 ATOM 852 ND1 HIS A 102 19.190 0.342 -25.629 1.00 0.00 ATOM 853 CE1 HIS A 102 18.779 -0.543 -26.533 1.00 0.00 ATOM 854 NE2 HIS A 102 17.474 -0.713 -26.392 1.00 0.00 ATOM 855 O HIS A 102 17.588 2.439 -20.819 1.00 0.00 ATOM 856 C HIS A 102 18.626 2.074 -21.341 1.00 0.00 ENDMDL EXPDTA 2hgcA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hgcA ATOM 1 N LYS 5 -10.778 0.805 4.578 1.00 0.00 ATOM 2 CA LYS 5 -11.189 2.161 4.269 1.00 0.00 ATOM 3 CB LYS 5 -11.594 2.908 5.544 1.00 0.00 ATOM 4 CG LYS 5 -12.149 4.303 5.291 1.00 0.00 ATOM 5 CD LYS 5 -12.417 5.046 6.594 1.00 0.00 ATOM 6 CE LYS 5 -13.480 4.354 7.439 1.00 0.00 ATOM 7 NZ LYS 5 -14.808 4.351 6.772 1.00 0.00 ATOM 8 O LYS 5 -10.189 3.403 2.475 1.00 0.00 ATOM 9 C LYS 5 -10.038 2.879 3.573 1.00 0.00 ATOM 10 N LEU 6 -8.878 2.890 4.219 1.00 0.00 ATOM 11 CA LEU 6 -7.695 3.516 3.641 1.00 0.00 ATOM 12 CB LEU 6 -6.929 4.340 4.688 1.00 0.00 ATOM 13 CG LEU 6 -7.628 5.612 5.191 1.00 0.00 ATOM 14 CD1 LEU 6 -8.225 6.400 4.032 1.00 0.00 ATOM 15 CD2 LEU 6 -8.692 5.279 6.228 1.00 0.00 ATOM 16 O LEU 6 -5.690 2.826 2.528 1.00 0.00 ATOM 17 C LEU 6 -6.759 2.478 3.025 1.00 0.00 ATOM 18 N ARG 7 -7.163 1.209 3.040 1.00 0.00 ATOM 19 CA ARG 7 -6.294 0.135 2.555 1.00 0.00 ATOM 20 CB ARG 7 -6.882 -1.240 2.875 1.00 0.00 ATOM 21 CG ARG 7 -7.344 -1.409 4.315 1.00 0.00 ATOM 22 CD ARG 7 -6.198 -1.436 5.306 1.00 0.00 ATOM 23 NE ARG 7 -6.694 -1.609 6.669 1.00 0.00 ATOM 24 CZ ARG 7 -5.918 -1.652 7.753 1.00 0.00 ATOM 25 NH1 ARG 7 -4.603 -1.584 7.643 1.00 0.00 ATOM 26 NH2 ARG 7 -6.457 -1.767 8.957 1.00 0.00 ATOM 27 O ARG 7 -4.963 0.354 0.571 1.00 0.00 ATOM 28 C ARG 7 -6.093 0.265 1.051 1.00 0.00 ATOM 29 N TYR 8 -7.199 0.284 0.312 1.00 0.00 ATOM 30 CA TYR 8 -7.147 0.469 -1.133 1.00 0.00 ATOM 31 CB TYR 8 -8.546 0.338 -1.752 1.00 0.00 ATOM 32 CG TYR 8 -8.661 1.012 -3.103 1.00 0.00 ATOM 33 CD1 TYR 8 -8.180 0.402 -4.253 1.00 0.00 ATOM 34 CD2 TYR 8 -9.221 2.279 -3.217 1.00 0.00 ATOM 35 CE1 TYR 8 -8.251 1.037 -5.476 1.00 0.00 ATOM 36 CE2 TYR 8 -9.301 2.916 -4.437 1.00 0.00 ATOM 37 CZ TYR 8 -8.812 2.292 -5.562 1.00 0.00 ATOM 38 OH TYR 8 -8.877 2.928 -6.777 1.00 0.00 ATOM 39 O TYR 8 -5.766 1.952 -2.419 1.00 0.00 ATOM 40 C TYR 8 -6.557 1.829 -1.482 1.00 0.00 ATOM 41 N ALA 9 -6.947 2.844 -0.722 1.00 0.00 ATOM 42 CA ALA 9 -6.541 4.211 -1.001 1.00 0.00 ATOM 43 CB ALA 9 -7.182 5.157 0.004 1.00 0.00 ATOM 44 O ALA 9 -4.450 4.956 -1.918 1.00 0.00 ATOM 45 C ALA 9 -5.020 4.348 -1.009 1.00 0.00 ATOM 46 N ILE 10 -4.365 3.753 -0.019 1.00 0.00 ATOM 47 CA ILE 10 -2.912 3.784 0.054 1.00 0.00 ATOM 48 CB ILE 10 -2.408 3.351 1.450 1.00 0.00 ATOM 49 CG1 ILE 10 -2.885 4.353 2.509 1.00 0.00 ATOM 50 CG2 ILE 10 -0.888 3.232 1.466 1.00 0.00 ATOM 51 CD1 ILE 10 -2.423 4.033 3.914 1.00 0.00 ATOM 52 O ILE 10 -1.297 3.275 -1.648 1.00 0.00 ATOM 53 C ILE 10 -2.295 2.901 -1.032 1.00 0.00 ATOM 54 N LEU 11 -2.910 1.744 -1.285 1.00 0.00 ATOM 55 CA LEU 11 -2.451 0.846 -2.347 1.00 0.00 ATOM 56 CB LEU 11 -3.357 -0.379 -2.456 1.00 0.00 ATOM 57 CG LEU 11 -2.875 -1.622 -1.712 1.00 0.00 ATOM 58 CD1 LEU 11 -3.927 -2.717 -1.778 1.00 0.00 ATOM 59 CD2 LEU 11 -1.564 -2.117 -2.299 1.00 0.00 ATOM 60 O LEU 11 -1.444 1.440 -4.443 1.00 0.00 ATOM 61 C LEU 11 -2.411 1.561 -3.692 1.00 0.00 ATOM 62 N LYS 12 -3.466 2.308 -3.987 1.00 0.00 ATOM 63 CA LYS 12 -3.550 3.051 -5.234 1.00 0.00 ATOM 64 CB LYS 12 -4.904 3.743 -5.354 1.00 0.00 ATOM 65 CG LYS 12 -5.107 4.431 -6.693 1.00 0.00 ATOM 66 CD LYS 12 -5.957 5.680 -6.558 1.00 0.00 ATOM 67 CE LYS 12 -5.270 6.725 -5.688 1.00 0.00 ATOM 68 NZ LYS 12 -3.906 7.057 -6.191 1.00 0.00 ATOM 69 O LYS 12 -1.853 4.316 -6.373 1.00 0.00 ATOM 70 C LYS 12 -2.438 4.094 -5.312 1.00 0.00 ATOM 71 N GLU 13 -2.158 4.738 -4.182 1.00 0.00 ATOM 72 CA GLU 13 -1.098 5.740 -4.114 1.00 0.00 ATOM 73 CB GLU 13 -1.094 6.431 -2.751 1.00 0.00 ATOM 74 CG GLU 13 -1.305 7.935 -2.827 1.00 0.00 ATOM 75 CD GLU 13 -2.677 8.312 -3.347 1.00 0.00 ATOM 76 OE1 GLU 13 -3.653 8.233 -2.575 1.00 0.00 ATOM 77 OE2 GLU 13 -2.786 8.704 -4.527 1.00 0.00 ATOM 78 O GLU 13 1.128 5.685 -5.002 1.00 0.00 ATOM 79 C GLU 13 0.258 5.095 -4.369 1.00 0.00 ATOM 80 N ILE 14 0.431 3.880 -3.869 1.00 0.00 ATOM 81 CA ILE 14 1.646 3.116 -4.115 1.00 0.00 ATOM 82 CB ILE 14 1.679 1.821 -3.265 1.00 0.00 ATOM 83 CG1 ILE 14 1.684 2.164 -1.770 1.00 0.00 ATOM 84 CG2 ILE 14 2.890 0.968 -3.623 1.00 0.00 ATOM 85 CD1 ILE 14 1.642 0.951 -0.861 1.00 0.00 ATOM 86 O ILE 14 2.815 2.905 -6.206 1.00 0.00 ATOM 87 C ILE 14 1.755 2.757 -5.596 1.00 0.00 ATOM 88 N PHE 15 0.636 2.320 -6.163 1.00 0.00 ATOM 89 CA PHE 15 0.590 1.844 -7.542 1.00 0.00 ATOM 90 CB PHE 15 -0.831 1.393 -7.888 1.00 0.00 ATOM 91 CG PHE 15 -0.976 0.841 -9.280 1.00 0.00 ATOM 92 CD1 PHE 15 -0.623 -0.469 -9.557 1.00 0.00 ATOM 93 CD2 PHE 15 -1.472 1.630 -10.308 1.00 0.00 ATOM 94 CE1 PHE 15 -0.761 -0.983 -10.832 1.00 0.00 ATOM 95 CE2 PHE 15 -1.610 1.121 -11.585 1.00 0.00 ATOM 96 CZ PHE 15 -1.254 -0.188 -11.847 1.00 0.00 ATOM 97 O PHE 15 1.910 2.643 -9.381 1.00 0.00 ATOM 98 C PHE 15 1.053 2.907 -8.539 1.00 0.00 ATOM 99 N GLU 16 0.497 4.108 -8.441 1.00 0.00 ATOM 100 CA GLU 16 0.815 5.155 -9.408 1.00 0.00 ATOM 101 CB GLU 16 -0.435 5.968 -9.769 1.00 0.00 ATOM 102 CG GLU 16 -1.013 6.779 -8.622 1.00 0.00 ATOM 103 CD GLU 16 -2.192 7.629 -9.056 1.00 0.00 ATOM 104 OE1 GLU 16 -1.974 8.651 -9.739 1.00 0.00 ATOM 105 OE2 GLU 16 -3.344 7.275 -8.718 1.00 0.00 ATOM 106 O GLU 16 2.564 6.779 -9.670 1.00 0.00 ATOM 107 C GLU 16 1.918 6.075 -8.893 1.00 0.00 ATOM 108 N GLY 17 2.134 6.060 -7.582 1.00 0.00 ATOM 109 CA GLY 17 3.155 6.898 -6.985 1.00 0.00 ATOM 110 O GLY 17 5.508 7.153 -7.250 1.00 0.00 ATOM 111 C GLY 17 4.551 6.382 -7.253 1.00 0.00 ATOM 112 N ASN 18 4.657 5.065 -7.452 1.00 0.00 ATOM 113 CA ASN 18 5.920 4.404 -7.811 1.00 0.00 ATOM 114 CB ASN 18 6.589 5.128 -8.995 1.00 0.00 ATOM 115 CG ASN 18 7.780 4.382 -9.576 1.00 0.00 ATOM 116 ND2 ASN 18 7.745 3.060 -9.520 1.00 0.00 ATOM 117 OD1 ASN 18 8.716 4.993 -10.096 1.00 0.00 ATOM 118 O ASN 18 7.949 3.735 -6.708 1.00 0.00 ATOM 119 C ASN 18 6.869 4.317 -6.609 1.00 0.00 ATOM 120 N THR 19 6.423 4.873 -5.475 1.00 0.00 ATOM 121 CA THR 19 7.158 4.876 -4.197 1.00 0.00 ATOM 122 CB THR 19 7.311 3.455 -3.581 1.00 0.00 ATOM 123 CG2 THR 19 5.954 2.892 -3.185 1.00 0.00 ATOM 124 OG1 THR 19 7.955 2.550 -4.483 1.00 0.00 ATOM 125 O THR 19 9.140 5.651 -5.348 1.00 0.00 ATOM 126 C THR 19 8.528 5.569 -4.284 1.00 0.00 ATOM 127 N PRO 20 9.024 6.106 -3.153 1.00 0.00 ATOM 128 CA PRO 20 8.342 6.061 -1.858 1.00 0.00 ATOM 129 CB PRO 20 9.470 6.314 -0.844 1.00 0.00 ATOM 130 CG PRO 20 10.722 6.524 -1.640 1.00 0.00 ATOM 131 CD PRO 20 10.298 6.815 -3.050 1.00 0.00 ATOM 132 O PRO 20 7.231 8.083 -2.521 1.00 0.00 ATOM 133 C PRO 20 7.279 7.150 -1.722 1.00 0.00 ATOM 134 N LEU 21 6.435 7.029 -0.706 1.00 0.00 ATOM 135 CA LEU 21 5.429 8.041 -0.426 1.00 0.00 ATOM 136 CB LEU 21 4.063 7.672 -1.029 1.00 0.00 ATOM 137 CG LEU 21 3.398 6.405 -0.473 1.00 0.00 ATOM 138 CD1 LEU 21 1.894 6.468 -0.679 1.00 0.00 ATOM 139 CD2 LEU 21 3.954 5.164 -1.152 1.00 0.00 ATOM 140 O LEU 21 5.525 7.317 1.855 1.00 0.00 ATOM 141 C LEU 21 5.297 8.243 1.076 1.00 0.00 ATOM 142 N SER 22 4.959 9.458 1.471 1.00 0.00 ATOM 143 CA SER 22 4.773 9.783 2.875 1.00 0.00 ATOM 144 CB SER 22 5.039 11.266 3.117 1.00 0.00 ATOM 145 OG SER 22 4.719 11.673 4.437 1.00 0.00 ATOM 146 O SER 22 2.467 9.211 2.519 1.00 0.00 ATOM 147 C SER 22 3.367 9.446 3.327 1.00 0.00 ATOM 148 N GLU 23 3.192 9.460 4.627 1.00 0.00 ATOM 149 CA GLU 23 1.895 9.211 5.226 1.00 0.00 ATOM 150 CB GLU 23 2.004 8.717 6.680 1.00 0.00 ATOM 151 CG GLU 23 3.424 8.586 7.216 1.00 0.00 ATOM 152 CD GLU 23 4.126 9.919 7.358 1.00 0.00 ATOM 153 OE1 GLU 23 3.788 10.681 8.286 1.00 0.00 ATOM 154 OE2 GLU 23 5.011 10.212 6.527 1.00 0.00 ATOM 155 O GLU 23 -0.098 10.459 4.741 1.00 0.00 ATOM 156 C GLU 23 1.058 10.477 5.170 1.00 0.00 ATOM 157 N ASN 24 1.655 11.585 5.582 1.00 0.00 ATOM 158 CA ASN 24 0.971 12.871 5.558 1.00 0.00 ATOM 159 CB ASN 24 1.805 13.945 6.264 1.00 0.00 ATOM 160 CG ASN 24 1.080 15.277 6.369 1.00 0.00 ATOM 161 ND2 ASN 24 -0.226 15.235 6.596 1.00 0.00 ATOM 162 OD1 ASN 24 1.694 16.338 6.266 1.00 0.00 ATOM 163 O ASN 24 -0.254 13.985 3.819 1.00 0.00 ATOM 164 C ASN 24 0.712 13.284 4.117 1.00 0.00 ATOM 165 N ASP 25 1.574 12.811 3.225 1.00 0.00 ATOM 166 CA ASP 25 1.488 13.152 1.811 1.00 0.00 ATOM 167 CB ASP 25 2.792 12.786 1.100 1.00 0.00 ATOM 168 CG ASP 25 2.939 13.455 -0.253 1.00 0.00 ATOM 169 OD1 ASP 25 2.719 12.785 -1.283 1.00 0.00 ATOM 170 OD2 ASP 25 3.310 14.648 -0.290 1.00 0.00 ATOM 171 O ASP 25 -0.412 13.029 0.353 1.00 0.00 ATOM 172 C ASP 25 0.305 12.439 1.158 1.00 0.00 ATOM 173 N ILE 26 0.091 11.171 1.520 1.00 0.00 ATOM 174 CA ILE 26 -1.059 10.427 1.011 1.00 0.00 ATOM 175 CB ILE 26 -0.866 8.882 1.158 1.00 0.00 ATOM 176 CG1 ILE 26 -2.027 8.092 0.515 1.00 0.00 ATOM 177 CG2 ILE 26 -0.688 8.478 2.614 1.00 0.00 ATOM 178 CD1 ILE 26 -3.233 7.874 1.413 1.00 0.00 ATOM 179 O ILE 26 -3.411 10.941 1.090 1.00 0.00 ATOM 180 C ILE 26 -2.342 10.910 1.702 1.00 0.00 ATOM 181 N GLY 27 -2.226 11.310 2.969 1.00 0.00 ATOM 182 CA GLY 27 -3.360 11.900 3.663 1.00 0.00 ATOM 183 O GLY 27 -4.823 11.344 5.469 1.00 0.00 ATOM 184 C GLY 27 -3.707 11.204 4.970 1.00 0.00 ATOM 185 N VAL 28 -2.760 10.465 5.535 1.00 0.00 ATOM 186 CA VAL 28 -2.998 9.741 6.781 1.00 0.00 ATOM 187 CB VAL 28 -3.119 8.215 6.546 1.00 0.00 ATOM 188 CG1 VAL 28 -4.297 7.898 5.638 1.00 0.00 ATOM 189 CG2 VAL 28 -1.833 7.652 5.962 1.00 0.00 ATOM 190 O VAL 28 -0.903 10.694 7.472 1.00 0.00 ATOM 191 C VAL 28 -1.879 10.009 7.786 1.00 0.00 ATOM 192 N THR 29 -2.027 9.488 8.996 1.00 0.00 ATOM 193 CA THR 29 -0.980 9.597 10.001 1.00 0.00 ATOM 194 CB THR 29 -1.558 9.565 11.432 1.00 0.00 ATOM 195 CG2 THR 29 -2.434 10.783 11.690 1.00 0.00 ATOM 196 OG1 THR 29 -2.325 8.372 11.629 1.00 0.00 ATOM 197 O THR 29 -0.179 7.555 9.026 1.00 0.00 ATOM 198 C THR 29 0.033 8.470 9.831 1.00 0.00 ATOM 199 N GLU 30 1.127 8.535 10.585 1.00 0.00 ATOM 200 CA GLU 30 2.183 7.531 10.497 1.00 0.00 ATOM 201 CB GLU 30 3.295 7.825 11.500 1.00 0.00 ATOM 202 CG GLU 30 3.594 9.297 11.673 1.00 0.00 ATOM 203 CD GLU 30 4.742 9.538 12.625 1.00 0.00 ATOM 204 OE1 GLU 30 4.555 9.344 13.845 1.00 0.00 ATOM 205 OE2 GLU 30 5.832 9.923 12.156 1.00 0.00 ATOM 206 O GLU 30 1.781 5.218 10.007 1.00 0.00 ATOM 207 C GLU 30 1.626 6.149 10.794 1.00 0.00 ATOM 208 N ASP 31 0.960 6.039 11.935 1.00 0.00 ATOM 209 CA ASP 31 0.459 4.761 12.425 1.00 0.00 ATOM 210 CB ASP 31 -0.047 4.911 13.859 1.00 0.00 ATOM 211 CG ASP 31 1.086 4.895 14.868 1.00 0.00 ATOM 212 OD1 ASP 31 1.730 5.946 15.073 1.00 0.00 ATOM 213 OD2 ASP 31 1.349 3.823 15.455 1.00 0.00 ATOM 214 O ASP 31 -0.769 2.966 11.422 1.00 0.00 ATOM 215 C ASP 31 -0.629 4.186 11.522 1.00 0.00 ATOM 216 N GLN 32 -1.387 5.058 10.863 1.00 0.00 ATOM 217 CA GLN 32 -2.406 4.617 9.910 1.00 0.00 ATOM 218 CB GLN 32 -3.313 5.783 9.507 1.00 0.00 ATOM 219 CG GLN 32 -4.278 6.216 10.598 1.00 0.00 ATOM 220 CD GLN 32 -5.060 7.462 10.226 1.00 0.00 ATOM 221 OE1 GLN 32 -4.572 8.319 9.487 1.00 0.00 ATOM 222 NE2 GLN 32 -6.275 7.574 10.739 1.00 0.00 ATOM 223 O GLN 32 -2.135 2.939 8.212 1.00 0.00 ATOM 224 C GLN 32 -1.749 4.014 8.672 1.00 0.00 ATOM 225 N PHE 33 -0.749 4.713 8.149 1.00 0.00 ATOM 226 CA PHE 33 0.017 4.238 7.001 1.00 0.00 ATOM 227 CB PHE 33 1.020 5.318 6.585 1.00 0.00 ATOM 228 CG PHE 33 1.778 5.025 5.320 1.00 0.00 ATOM 229 CD1 PHE 33 1.216 5.297 4.082 1.00 0.00 ATOM 230 CD2 PHE 33 3.062 4.502 5.369 1.00 0.00 ATOM 231 CE1 PHE 33 1.917 5.052 2.918 1.00 0.00 ATOM 232 CE2 PHE 33 3.766 4.252 4.206 1.00 0.00 ATOM 233 CZ PHE 33 3.192 4.529 2.979 1.00 0.00 ATOM 234 O PHE 33 0.726 1.972 6.607 1.00 0.00 ATOM 235 C PHE 33 0.741 2.945 7.363 1.00 0.00 ATOM 236 N ASP 34 1.356 2.957 8.538 1.00 0.00 ATOM 237 CA ASP 34 2.064 1.802 9.084 1.00 0.00 ATOM 238 CB ASP 34 2.575 2.151 10.483 1.00 0.00 ATOM 239 CG ASP 34 3.123 0.963 11.247 1.00 0.00 ATOM 240 OD1 ASP 34 4.338 0.700 11.157 1.00 0.00 ATOM 241 OD2 ASP 34 2.355 0.332 12.001 1.00 0.00 ATOM 242 O ASP 34 1.516 -0.485 8.606 1.00 0.00 ATOM 243 C ASP 34 1.169 0.569 9.142 1.00 0.00 ATOM 244 N ASP 35 0.010 0.707 9.778 1.00 0.00 ATOM 245 CA ASP 35 -0.917 -0.412 9.928 1.00 0.00 ATOM 246 CB ASP 35 -2.134 0.002 10.757 1.00 0.00 ATOM 247 CG ASP 35 -3.061 -1.164 11.057 1.00 0.00 ATOM 248 OD1 ASP 35 -3.862 -1.541 10.178 1.00 0.00 ATOM 249 OD2 ASP 35 -3.003 -1.703 12.181 1.00 0.00 ATOM 250 O ASP 35 -1.478 -2.127 8.347 1.00 0.00 ATOM 251 C ASP 35 -1.369 -0.920 8.566 1.00 0.00 ATOM 252 N ALA 36 -1.619 0.007 7.650 1.00 0.00 ATOM 253 CA ALA 36 -2.054 -0.344 6.308 1.00 0.00 ATOM 254 CB ALA 36 -2.365 0.908 5.506 1.00 0.00 ATOM 255 O ALA 36 -1.306 -2.272 5.107 1.00 0.00 ATOM 256 C ALA 36 -1.003 -1.190 5.603 1.00 0.00 ATOM 257 N VAL 37 0.232 -0.704 5.586 1.00 0.00 ATOM 258 CA VAL 37 1.325 -1.408 4.926 1.00 0.00 ATOM 259 CB VAL 37 2.639 -0.599 4.996 1.00 0.00 ATOM 260 CG1 VAL 37 3.802 -1.389 4.412 1.00 0.00 ATOM 261 CG2 VAL 37 2.482 0.729 4.269 1.00 0.00 ATOM 262 O VAL 37 1.686 -3.781 4.826 1.00 0.00 ATOM 263 C VAL 37 1.537 -2.790 5.542 1.00 0.00 ATOM 264 N ASN 38 1.527 -2.853 6.869 1.00 0.00 ATOM 265 CA ASN 38 1.724 -4.117 7.576 1.00 0.00 ATOM 266 CB ASN 38 1.786 -3.888 9.088 1.00 0.00 ATOM 267 CG ASN 38 3.083 -3.237 9.526 1.00 0.00 ATOM 268 ND2 ASN 38 3.016 -2.440 10.579 1.00 0.00 ATOM 269 OD1 ASN 38 4.135 -3.446 8.918 1.00 0.00 ATOM 270 O ASN 38 0.881 -6.285 6.978 1.00 0.00 ATOM 271 C ASN 38 0.616 -5.111 7.249 1.00 0.00 ATOM 272 N PHE 39 -0.621 -4.632 7.264 1.00 0.00 ATOM 273 CA PHE 39 -1.776 -5.472 6.968 1.00 0.00 ATOM 274 CB PHE 39 -3.072 -4.695 7.221 1.00 0.00 ATOM 275 CG PHE 39 -4.324 -5.473 6.921 1.00 0.00 ATOM 276 CD1 PHE 39 -4.768 -6.456 7.789 1.00 0.00 ATOM 277 CD2 PHE 39 -5.057 -5.217 5.773 1.00 0.00 ATOM 278 CE1 PHE 39 -5.917 -7.170 7.520 1.00 0.00 ATOM 279 CE2 PHE 39 -6.208 -5.928 5.497 1.00 0.00 ATOM 280 CZ PHE 39 -6.639 -6.906 6.373 1.00 0.00 ATOM 281 O PHE 39 -1.927 -7.158 5.265 1.00 0.00 ATOM 282 C PHE 39 -1.732 -5.969 5.526 1.00 0.00 ATOM 283 N LEU 40 -1.459 -5.059 4.597 1.00 0.00 ATOM 284 CA LEU 40 -1.410 -5.401 3.180 1.00 0.00 ATOM 285 CB LEU 40 -1.227 -4.140 2.333 1.00 0.00 ATOM 286 CG LEU 40 -2.344 -3.099 2.462 1.00 0.00 ATOM 287 CD1 LEU 40 -1.999 -1.849 1.670 1.00 0.00 ATOM 288 CD2 LEU 40 -3.675 -3.671 1.996 1.00 0.00 ATOM 289 O LEU 40 -0.410 -7.269 2.046 1.00 0.00 ATOM 290 C LEU 40 -0.284 -6.392 2.902 1.00 0.00 ATOM 291 N LYS 41 0.812 -6.247 3.635 1.00 0.00 ATOM 292 CA LYS 41 1.942 -7.158 3.519 1.00 0.00 ATOM 293 CB LYS 41 3.136 -6.620 4.312 1.00 0.00 ATOM 294 CG LYS 41 4.360 -7.518 4.257 1.00 0.00 ATOM 295 CD LYS 41 5.458 -7.023 5.183 1.00 0.00 ATOM 296 CE LYS 41 6.654 -7.959 5.176 1.00 0.00 ATOM 297 NZ LYS 41 6.297 -9.321 5.654 1.00 0.00 ATOM 298 O LYS 41 1.923 -9.556 3.411 1.00 0.00 ATOM 299 C LYS 41 1.570 -8.548 4.023 1.00 0.00 ATOM 300 N ARG 42 0.841 -8.590 5.131 1.00 0.00 ATOM 301 CA ARG 42 0.490 -9.850 5.776 1.00 0.00 ATOM 302 CB ARG 42 -0.160 -9.589 7.137 1.00 0.00 ATOM 303 CG ARG 42 -0.239 -10.826 8.020 1.00 0.00 ATOM 304 CD ARG 42 -1.111 -10.595 9.245 1.00 0.00 ATOM 305 NE ARG 42 -2.527 -10.504 8.894 1.00 0.00 ATOM 306 CZ ARG 42 -3.515 -10.432 9.781 1.00 0.00 ATOM 307 NH1 ARG 42 -3.256 -10.412 11.081 1.00 0.00 ATOM 308 NH2 ARG 42 -4.771 -10.391 9.357 1.00 0.00 ATOM 309 O ARG 42 -0.258 -11.861 4.694 1.00 0.00 ATOM 310 C ARG 42 -0.463 -10.664 4.907 1.00 0.00 ATOM 311 N GLU 43 -1.501 -10.008 4.399 1.00 0.00 ATOM 312 CA GLU 43 -2.526 -10.691 3.618 1.00 0.00 ATOM 313 CB GLU 43 -3.789 -9.834 3.524 1.00 0.00 ATOM 314 CG GLU 43 -4.346 -9.417 4.877 1.00 0.00 ATOM 315 CD GLU 43 -4.614 -10.593 5.796 1.00 0.00 ATOM 316 OE1 GLU 43 -3.701 -10.980 6.555 1.00 0.00 ATOM 317 OE2 GLU 43 -5.741 -11.130 5.774 1.00 0.00 ATOM 318 O GLU 43 -2.527 -11.946 1.572 1.00 0.00 ATOM 319 C GLU 43 -2.014 -11.034 2.222 1.00 0.00 ATOM 320 N GLY 44 -1.004 -10.305 1.767 1.00 0.00 ATOM 321 CA GLY 44 -0.397 -10.604 0.484 1.00 0.00 ATOM 322 O GLY 44 -1.245 -10.181 -1.709 1.00 0.00 ATOM 323 C GLY 44 -0.892 -9.706 -0.630 1.00 0.00 ATOM 324 N TYR 45 -0.933 -8.407 -0.373 1.00 0.00 ATOM 325 CA TYR 45 -1.309 -7.441 -1.398 1.00 0.00 ATOM 326 CB TYR 45 -2.223 -6.359 -0.818 1.00 0.00 ATOM 327 CG TYR 45 -3.591 -6.870 -0.422 1.00 0.00 ATOM 328 CD1 TYR 45 -3.901 -7.123 0.908 1.00 0.00 ATOM 329 CD2 TYR 45 -4.573 -7.096 -1.379 1.00 0.00 ATOM 330 CE1 TYR 45 -5.150 -7.586 1.274 1.00 0.00 ATOM 331 CE2 TYR 45 -5.825 -7.559 -1.022 1.00 0.00 ATOM 332 CZ TYR 45 -6.109 -7.803 0.306 1.00 0.00 ATOM 333 OH TYR 45 -7.356 -8.266 0.670 1.00 0.00 ATOM 334 O TYR 45 -0.022 -6.543 -3.215 1.00 0.00 ATOM 335 C TYR 45 -0.068 -6.812 -2.013 1.00 0.00 ATOM 336 N ILE 46 0.944 -6.593 -1.186 1.00 0.00 ATOM 337 CA ILE 46 2.204 -6.032 -1.649 1.00 0.00 ATOM 338 CB ILE 46 2.265 -4.491 -1.479 1.00 0.00 ATOM 339 CG1 ILE 46 1.610 -4.031 -0.167 1.00 0.00 ATOM 340 CG2 ILE 46 1.622 -3.795 -2.665 1.00 0.00 ATOM 341 CD1 ILE 46 2.449 -4.273 1.070 1.00 0.00 ATOM 342 O ILE 46 3.233 -7.197 0.179 1.00 0.00 ATOM 343 C ILE 46 3.381 -6.673 -0.928 1.00 0.00 ATOM 344 N ILE 47 4.539 -6.640 -1.569 1.00 0.00 ATOM 345 CA ILE 47 5.762 -7.180 -0.991 1.00 0.00 ATOM 346 CB ILE 47 6.178 -8.508 -1.662 1.00 0.00 ATOM 347 CG1 ILE 47 6.344 -8.320 -3.173 1.00 0.00 ATOM 348 CG2 ILE 47 5.155 -9.596 -1.367 1.00 0.00 ATOM 349 CD1 ILE 47 6.842 -9.555 -3.893 1.00 0.00 ATOM 350 O ILE 47 6.740 -5.157 -1.817 1.00 0.00 ATOM 351 C ILE 47 6.894 -6.170 -1.135 1.00 0.00 ATOM 352 N GLY 48 8.022 -6.440 -0.491 1.00 0.00 ATOM 353 CA GLY 48 9.157 -5.538 -0.570 1.00 0.00 ATOM 354 O GLY 48 9.905 -3.566 0.565 1.00 0.00 ATOM 355 C GLY 48 9.183 -4.565 0.588 1.00 0.00 ATOM 356 N VAL 49 8.389 -4.864 1.605 1.00 0.00 ATOM 357 CA VAL 49 8.296 -4.017 2.781 1.00 0.00 ATOM 358 CB VAL 49 6.989 -4.282 3.558 1.00 0.00 ATOM 359 CG1 VAL 49 6.938 -3.463 4.840 1.00 0.00 ATOM 360 CG2 VAL 49 5.782 -3.981 2.682 1.00 0.00 ATOM 361 O VAL 49 9.667 -5.331 4.246 1.00 0.00 ATOM 362 C VAL 49 9.491 -4.247 3.693 1.00 0.00 ATOM 363 N HIS 50 10.318 -3.226 3.834 1.00 0.00 ATOM 364 CA HIS 50 11.513 -3.329 4.651 1.00 0.00 ATOM 365 CB HIS 50 12.745 -2.873 3.868 1.00 0.00 ATOM 366 CG HIS 50 13.100 -3.772 2.724 1.00 0.00 ATOM 367 CD2 HIS 50 13.699 -4.985 2.705 1.00 0.00 ATOM 368 ND1 HIS 50 12.842 -3.455 1.408 1.00 0.00 ATOM 369 CE1 HIS 50 13.267 -4.436 0.632 1.00 0.00 ATOM 370 NE2 HIS 50 13.790 -5.375 1.393 1.00 0.00 ATOM 371 O HIS 50 10.960 -1.341 5.864 1.00 0.00 ATOM 372 C HIS 50 11.370 -2.500 5.914 1.00 0.00 ATOM 373 N TYR 51 11.689 -3.105 7.042 1.00 0.00 ATOM 374 CA TYR 51 11.690 -2.399 8.310 1.00 0.00 ATOM 375 CB TYR 51 11.279 -3.337 9.448 1.00 0.00 ATOM 376 CG TYR 51 9.884 -3.893 9.298 1.00 0.00 ATOM 377 CD1 TYR 51 9.662 -5.101 8.650 1.00 0.00 ATOM 378 CD2 TYR 51 8.790 -3.208 9.803 1.00 0.00 ATOM 379 CE1 TYR 51 8.386 -5.609 8.509 1.00 0.00 ATOM 380 CE2 TYR 51 7.512 -3.709 9.669 1.00 0.00 ATOM 381 CZ TYR 51 7.314 -4.908 9.021 1.00 0.00 ATOM 382 OH TYR 51 6.039 -5.407 8.888 1.00 0.00 ATOM 383 O TYR 51 14.076 -2.465 8.230 1.00 0.00 ATOM 384 C TYR 51 13.078 -1.831 8.564 1.00 0.00 ATOM 385 N SER 52 13.153 -0.645 9.147 1.00 0.00 ATOM 386 CA SER 52 14.442 0.002 9.338 1.00 0.00 ATOM 387 CB SER 52 14.506 1.293 8.504 1.00 0.00 ATOM 388 OG SER 52 15.768 1.932 8.596 1.00 0.00 ATOM 389 O SER 52 15.224 -0.550 11.537 1.00 0.00 ATOM 390 C SER 52 14.668 0.279 10.818 1.00 0.00 ATOM 391 N ASP 53 14.211 1.433 11.265 1.00 0.00 ATOM 392 CA ASP 53 14.216 1.776 12.679 1.00 0.00 ATOM 393 CB ASP 53 13.643 3.190 12.863 1.00 0.00 ATOM 394 CG ASP 53 12.560 3.530 11.842 1.00 0.00 ATOM 395 OD1 ASP 53 12.680 4.575 11.169 1.00 0.00 ATOM 396 OD2 ASP 53 11.609 2.739 11.668 1.00 0.00 ATOM 397 O ASP 53 13.857 0.144 14.424 1.00 0.00 ATOM 398 C ASP 53 13.389 0.764 13.464 1.00 0.00 ATOM 399 N ASP 54 12.173 0.582 13.000 1.00 0.00 ATOM 400 CA ASP 54 11.196 -0.293 13.639 1.00 0.00 ATOM 401 CB ASP 54 10.737 0.304 14.974 1.00 0.00 ATOM 402 CG ASP 54 9.621 -0.494 15.623 1.00 0.00 ATOM 403 OD1 ASP 54 9.894 -1.600 16.130 1.00 0.00 ATOM 404 OD2 ASP 54 8.466 -0.010 15.642 1.00 0.00 ATOM 405 O ASP 54 9.396 -1.580 12.706 1.00 0.00 ATOM 406 C ASP 54 9.988 -0.501 12.730 1.00 0.00 ATOM 407 N ARG 55 9.647 0.527 11.959 1.00 0.00 ATOM 408 CA ARG 55 8.438 0.512 11.159 1.00 0.00 ATOM 409 CB ARG 55 7.677 1.828 11.367 1.00 0.00 ATOM 410 CG ARG 55 7.573 2.229 12.833 1.00 0.00 ATOM 411 CD ARG 55 6.486 3.261 13.070 1.00 0.00 ATOM 412 NE ARG 55 5.156 2.657 13.073 1.00 0.00 ATOM 413 CZ ARG 55 4.146 3.088 13.831 1.00 0.00 ATOM 414 NH1 ARG 55 4.291 4.161 14.600 1.00 0.00 ATOM 415 NH2 ARG 55 2.983 2.449 13.821 1.00 0.00 ATOM 416 O ARG 55 9.956 0.447 9.304 1.00 0.00 ATOM 417 C ARG 55 8.790 0.309 9.688 1.00 0.00 ATOM 418 N PRO 56 7.805 -0.057 8.850 1.00 0.00 ATOM 419 CA PRO 56 8.018 -0.241 7.414 1.00 0.00 ATOM 420 CB PRO 56 6.649 -0.689 6.892 1.00 0.00 ATOM 421 CG PRO 56 5.677 -0.253 7.931 1.00 0.00 ATOM 422 CD PRO 56 6.411 -0.343 9.233 1.00 0.00 ATOM 423 O PRO 56 7.890 2.117 6.959 1.00 0.00 ATOM 424 C PRO 56 8.450 1.047 6.721 1.00 0.00 ATOM 425 N HIS 57 9.459 0.937 5.877 1.00 0.00 ATOM 426 CA HIS 57 9.930 2.066 5.095 1.00 0.00 ATOM 427 CB HIS 57 11.312 2.525 5.568 1.00 0.00 ATOM 428 CG HIS 57 11.276 3.305 6.850 1.00 0.00 ATOM 429 CD2 HIS 57 11.242 2.895 8.140 1.00 0.00 ATOM 430 ND1 HIS 57 11.263 4.680 6.894 1.00 0.00 ATOM 431 CE1 HIS 57 11.219 5.080 8.150 1.00 0.00 ATOM 432 NE2 HIS 57 11.207 4.017 8.929 1.00 0.00 ATOM 433 O HIS 57 10.469 0.640 3.244 1.00 0.00 ATOM 434 C HIS 57 9.968 1.701 3.620 1.00 0.00 ATOM 435 N LEU 58 9.426 2.578 2.794 1.00 0.00 ATOM 436 CA LEU 58 9.351 2.333 1.364 1.00 0.00 ATOM 437 CB LEU 58 8.005 2.807 0.809 1.00 0.00 ATOM 438 CG LEU 58 6.782 2.098 1.400 1.00 0.00 ATOM 439 CD1 LEU 58 5.505 2.643 0.788 1.00 0.00 ATOM 440 CD2 LEU 58 6.876 0.594 1.186 1.00 0.00 ATOM 441 O LEU 58 10.857 4.158 0.975 1.00 0.00 ATOM 442 C LEU 58 10.497 3.027 0.646 1.00 0.00 ATOM 443 N TYR 59 11.076 2.336 -0.321 1.00 0.00 ATOM 444 CA TYR 59 12.180 2.877 -1.090 1.00 0.00 ATOM 445 CB TYR 59 13.360 1.902 -1.081 1.00 0.00 ATOM 446 CG TYR 59 13.877 1.607 0.309 1.00 0.00 ATOM 447 CD1 TYR 59 13.609 0.395 0.929 1.00 0.00 ATOM 448 CD2 TYR 59 14.623 2.549 1.005 1.00 0.00 ATOM 449 CE1 TYR 59 14.069 0.128 2.205 1.00 0.00 ATOM 450 CE2 TYR 59 15.090 2.290 2.281 1.00 0.00 ATOM 451 CZ TYR 59 14.809 1.079 2.876 1.00 0.00 ATOM 452 OH TYR 59 15.264 0.817 4.148 1.00 0.00 ATOM 453 O TYR 59 10.541 3.015 -2.819 1.00 0.00 ATOM 454 C TYR 59 11.721 3.158 -2.512 1.00 0.00 ATOM 455 N LYS 60 12.647 3.544 -3.377 1.00 0.00 ATOM 456 CA LYS 60 12.305 3.911 -4.746 1.00 0.00 ATOM 457 CB LYS 60 13.350 4.879 -5.305 1.00 0.00 ATOM 458 CG LYS 60 13.613 6.071 -4.397 1.00 0.00 ATOM 459 CD LYS 60 14.598 7.047 -5.018 1.00 0.00 ATOM 460 CE LYS 60 14.969 8.154 -4.043 1.00 0.00 ATOM 461 NZ LYS 60 15.745 7.636 -2.886 1.00 0.00 ATOM 462 O LYS 60 11.850 2.732 -6.800 1.00 0.00 ATOM 463 C LYS 60 12.209 2.664 -5.621 1.00 0.00 ATOM 464 N LEU 61 12.552 1.530 -5.032 1.00 0.00 ATOM 465 CA LEU 61 12.472 0.247 -5.706 1.00 0.00 ATOM 466 CB LEU 61 13.706 0.035 -6.598 1.00 0.00 ATOM 467 CG LEU 61 13.593 -1.070 -7.658 1.00 0.00 ATOM 468 CD1 LEU 61 14.672 -0.894 -8.715 1.00 0.00 ATOM 469 CD2 LEU 61 13.704 -2.455 -7.032 1.00 0.00 ATOM 470 O LEU 61 13.237 -0.968 -3.790 1.00 0.00 ATOM 471 C LEU 61 12.366 -0.845 -4.652 1.00 0.00 ATOM 472 N GLY 62 11.293 -1.615 -4.701 1.00 0.00 ATOM 473 CA GLY 62 11.084 -2.642 -3.701 1.00 0.00 ATOM 474 O GLY 62 9.305 -4.222 -3.695 1.00 0.00 ATOM 475 C GLY 62 9.627 -3.044 -3.563 1.00 0.00 ATOM 476 N PRO 63 8.721 -2.090 -3.270 1.00 0.00 ATOM 477 CA PRO 63 7.286 -2.375 -3.136 1.00 0.00 ATOM 478 CB PRO 63 6.673 -1.021 -2.762 1.00 0.00 ATOM 479 CG PRO 63 7.813 -0.200 -2.265 1.00 0.00 ATOM 480 CD PRO 63 9.016 -0.668 -3.025 1.00 0.00 ATOM 481 O PRO 63 6.477 -2.146 -5.389 1.00 0.00 ATOM 482 C PRO 63 6.669 -2.897 -4.432 1.00 0.00 ATOM 483 N GLU 64 6.379 -4.190 -4.455 1.00 0.00 ATOM 484 CA GLU 64 5.768 -4.829 -5.612 1.00 0.00 ATOM 485 CB GLU 64 6.555 -6.085 -5.996 1.00 0.00 ATOM 486 CG GLU 64 8.064 -5.890 -6.044 1.00 0.00 ATOM 487 CD GLU 64 8.541 -5.186 -7.294 1.00 0.00 ATOM 488 OE1 GLU 64 8.494 -3.943 -7.346 1.00 0.00 ATOM 489 OE2 GLU 64 9.000 -5.880 -8.227 1.00 0.00 ATOM 490 O GLU 64 4.072 -5.689 -4.163 1.00 0.00 ATOM 491 C GLU 64 4.337 -5.228 -5.272 1.00 0.00 ATOM 492 N LEU 65 3.418 -5.052 -6.208 1.00 0.00 ATOM 493 CA LEU 65 2.044 -5.486 -5.995 1.00 0.00 ATOM 494 CB LEU 65 1.041 -4.591 -6.733 1.00 0.00 ATOM 495 CG LEU 65 0.703 -3.270 -6.034 1.00 0.00 ATOM 496 CD1 LEU 65 1.759 -2.213 -6.327 1.00 0.00 ATOM 497 CD2 LEU 65 -0.682 -2.789 -6.444 1.00 0.00 ATOM 498 O LEU 65 2.492 -7.377 -7.405 1.00 0.00 ATOM 499 C LEU 65 1.868 -6.930 -6.438 1.00 0.00 ATOM 500 N THR 66 1.040 -7.660 -5.713 1.00 0.00 ATOM 501 CA THR 66 0.708 -9.022 -6.082 1.00 0.00 ATOM 502 CB THR 66 0.338 -9.863 -4.844 1.00 0.00 ATOM 503 CG2 THR 66 1.485 -9.894 -3.842 1.00 0.00 ATOM 504 OG1 THR 66 -0.835 -9.322 -4.218 1.00 0.00 ATOM 505 O THR 66 -1.078 -7.957 -7.258 1.00 0.00 ATOM 506 C THR 66 -0.469 -9.007 -7.043 1.00 0.00 ATOM 507 N GLU 67 -0.796 -10.154 -7.621 1.00 0.00 ATOM 508 CA GLU 67 -1.969 -10.244 -8.471 1.00 0.00 ATOM 509 CB GLU 67 -2.066 -11.615 -9.144 1.00 0.00 ATOM 510 CG GLU 67 -3.369 -11.813 -9.902 1.00 0.00 ATOM 511 CD GLU 67 -3.359 -13.036 -10.785 1.00 0.00 ATOM 512 OE1 GLU 67 -3.745 -12.918 -11.968 1.00 0.00 ATOM 513 OE2 GLU 67 -2.947 -14.115 -10.316 1.00 0.00 ATOM 514 O GLU 67 -4.140 -9.299 -8.109 1.00 0.00 ATOM 515 C GLU 67 -3.218 -9.965 -7.648 1.00 0.00 ATOM 516 N LYS 68 -3.222 -10.456 -6.417 1.00 0.00 ATOM 517 CA LYS 68 -4.339 -10.244 -5.510 1.00 0.00 ATOM 518 CB LYS 68 -4.117 -11.032 -4.221 1.00 0.00 ATOM 519 CG LYS 68 -5.320 -11.041 -3.296 1.00 0.00 ATOM 520 CD LYS 68 -5.212 -12.150 -2.265 1.00 0.00 ATOM 521 CE LYS 68 -3.945 -12.027 -1.436 1.00 0.00 ATOM 522 NZ LYS 68 -3.727 -13.216 -0.574 1.00 0.00 ATOM 523 O LYS 68 -5.623 -8.240 -5.228 1.00 0.00 ATOM 524 C LYS 68 -4.510 -8.761 -5.206 1.00 0.00 ATOM 525 N GLY 69 -3.398 -8.084 -4.938 1.00 0.00 ATOM 526 CA GLY 69 -3.441 -6.657 -4.679 1.00 0.00 ATOM 527 O GLY 69 -4.676 -4.958 -5.823 1.00 0.00 ATOM 528 C GLY 69 -3.860 -5.877 -5.908 1.00 0.00 ATOM 529 N GLU 70 -3.313 -6.263 -7.055 1.00 0.00 ATOM 530 CA GLU 70 -3.643 -5.632 -8.325 1.00 0.00 ATOM 531 CB GLU 70 -2.763 -6.225 -9.427 1.00 0.00 ATOM 532 CG GLU 70 -2.985 -5.602 -10.789 1.00 0.00 ATOM 533 CD GLU 70 -2.503 -4.172 -10.875 1.00 0.00 ATOM 534 OE1 GLU 70 -3.245 -3.266 -10.448 1.00 0.00 ATOM 535 OE2 GLU 70 -1.397 -3.949 -11.410 1.00 0.00 ATOM 536 O GLU 70 -5.825 -4.897 -9.034 1.00 0.00 ATOM 537 C GLU 70 -5.124 -5.836 -8.659 1.00 0.00 ATOM 538 N ASN 71 -5.594 -7.071 -8.505 1.00 0.00 ATOM 539 CA ASN 71 -6.997 -7.409 -8.759 1.00 0.00 ATOM 540 CB ASN 71 -7.226 -8.918 -8.614 1.00 0.00 ATOM 541 CG ASN 71 -6.794 -9.723 -9.831 1.00 0.00 ATOM 542 ND2 ASN 71 -5.824 -9.218 -10.578 1.00 0.00 ATOM 543 OD1 ASN 71 -7.328 -10.804 -10.091 1.00 0.00 ATOM 544 O ASN 71 -9.024 -6.271 -8.153 1.00 0.00 ATOM 545 C ASN 71 -7.912 -6.664 -7.797 1.00 0.00 ATOM 546 N TYR 72 -7.431 -6.471 -6.578 1.00 0.00 ATOM 547 CA TYR 72 -8.182 -5.761 -5.554 1.00 0.00 ATOM 548 CB TYR 72 -7.422 -5.809 -4.227 1.00 0.00 ATOM 549 CG TYR 72 -8.172 -5.200 -3.067 1.00 0.00 ATOM 550 CD1 TYR 72 -9.333 -5.787 -2.585 1.00 0.00 ATOM 551 CD2 TYR 72 -7.713 -4.044 -2.449 1.00 0.00 ATOM 552 CE1 TYR 72 -10.016 -5.240 -1.519 1.00 0.00 ATOM 553 CE2 TYR 72 -8.393 -3.490 -1.382 1.00 0.00 ATOM 554 CZ TYR 72 -9.543 -4.093 -0.922 1.00 0.00 ATOM 555 OH TYR 72 -10.220 -3.554 0.145 1.00 0.00 ATOM 556 O TYR 72 -9.512 -3.766 -5.741 1.00 0.00 ATOM 557 C TYR 72 -8.435 -4.318 -5.979 1.00 0.00 ATOM 558 N LEU 73 -7.444 -3.721 -6.633 1.00 0.00 ATOM 559 CA LEU 73 -7.562 -2.356 -7.131 1.00 0.00 ATOM 560 CB LEU 73 -6.243 -1.886 -7.745 1.00 0.00 ATOM 561 CG LEU 73 -5.033 -1.917 -6.814 1.00 0.00 ATOM 562 CD1 LEU 73 -3.793 -1.431 -7.545 1.00 0.00 ATOM 563 CD2 LEU 73 -5.286 -1.068 -5.583 1.00 0.00 ATOM 564 O LEU 73 -9.344 -1.253 -8.289 1.00 0.00 ATOM 565 C LEU 73 -8.658 -2.263 -8.181 1.00 0.00 ATOM 566 N LYS 74 -8.824 -3.328 -8.948 1.00 0.00 ATOM 567 CA LYS 74 -9.804 -3.341 -10.022 1.00 0.00 ATOM 568 CB LYS 74 -9.621 -4.579 -10.904 1.00 0.00 ATOM 569 CG LYS 74 -8.174 -4.868 -11.281 1.00 0.00 ATOM 570 CD LYS 74 -7.508 -3.684 -11.966 1.00 0.00 ATOM 571 CE LYS 74 -6.066 -4.001 -12.336 1.00 0.00 ATOM 572 NZ LYS 74 -5.362 -2.822 -12.909 1.00 0.00 ATOM 573 O LYS 74 -12.115 -2.686 -10.013 1.00 0.00 ATOM 574 C LYS 74 -11.221 -3.320 -9.453 1.00 0.00 ATOM 575 N GLU 75 -11.410 -4.004 -8.330 1.00 0.00 ATOM 576 CA GLU 75 -12.731 -4.129 -7.721 1.00 0.00 ATOM 577 CB GLU 75 -12.819 -5.429 -6.920 1.00 0.00 ATOM 578 CG GLU 75 -12.469 -6.668 -7.730 1.00 0.00 ATOM 579 CD GLU 75 -13.384 -6.876 -8.923 1.00 0.00 ATOM 580 OE1 GLU 75 -14.195 -7.825 -8.896 1.00 0.00 ATOM 581 OE2 GLU 75 -13.296 -6.098 -9.893 1.00 0.00 ATOM 582 O GLU 75 -14.129 -2.357 -6.884 1.00 0.00 ATOM 583 C GLU 75 -13.042 -2.934 -6.819 1.00 0.00 ATOM 584 N ASN 76 -12.076 -2.557 -5.990 1.00 0.00 ATOM 585 CA ASN 76 -12.269 -1.475 -5.026 1.00 0.00 ATOM 586 CB ASN 76 -11.427 -1.730 -3.770 1.00 0.00 ATOM 587 CG ASN 76 -12.083 -1.196 -2.506 1.00 0.00 ATOM 588 ND2 ASN 76 -11.874 0.076 -2.212 1.00 0.00 ATOM 589 OD1 ASN 76 -12.788 -1.925 -1.807 1.00 0.00 ATOM 590 O ASN 76 -11.884 0.891 -4.975 1.00 0.00 ATOM 591 C ASN 76 -11.888 -0.138 -5.648 1.00 0.00 ATOM 592 N GLY 77 -11.572 -0.166 -6.939 1.00 0.00 ATOM 593 CA GLY 77 -11.165 1.035 -7.651 1.00 0.00 ATOM 594 O GLY 77 -11.951 3.260 -8.039 1.00 0.00 ATOM 595 C GLY 77 -12.238 2.106 -7.712 1.00 0.00 ATOM 596 N THR 78 -13.474 1.734 -7.408 1.00 0.00 ATOM 597 CA THR 78 -14.567 2.690 -7.375 1.00 0.00 ATOM 598 CB THR 78 -15.946 1.986 -7.493 1.00 0.00 ATOM 599 CG2 THR 78 -16.120 0.907 -6.428 1.00 0.00 ATOM 600 OG1 THR 78 -17.013 2.942 -7.399 1.00 0.00 ATOM 601 O THR 78 -15.316 3.472 -5.204 1.00 0.00 ATOM 602 C THR 78 -14.487 3.558 -6.111 1.00 0.00 ATOM 603 N TRP 79 -13.450 4.378 -6.054 1.00 0.00 ATOM 604 CA TRP 79 -13.253 5.301 -4.953 1.00 0.00 ATOM 605 CB TRP 79 -12.324 4.687 -3.891 1.00 0.00 ATOM 606 CG TRP 79 -12.354 5.407 -2.570 1.00 0.00 ATOM 607 CD1 TRP 79 -12.181 6.748 -2.352 1.00 0.00 ATOM 608 CD2 TRP 79 -12.561 4.820 -1.278 1.00 0.00 ATOM 609 CE2 TRP 79 -12.520 5.862 -0.332 1.00 0.00 ATOM 610 CE3 TRP 79 -12.782 3.515 -0.832 1.00 0.00 ATOM 611 NE1 TRP 79 -12.289 7.030 -1.013 1.00 0.00 ATOM 612 CZ2 TRP 79 -12.699 5.637 1.031 1.00 0.00 ATOM 613 CZ3 TRP 79 -12.957 3.292 0.521 1.00 0.00 ATOM 614 CH2 TRP 79 -12.915 4.349 1.438 1.00 0.00 ATOM 615 O TRP 79 -11.634 6.593 -6.168 1.00 0.00 ATOM 616 C TRP 79 -12.664 6.603 -5.489 1.00 0.00 ATOM 617 N SER 80 -13.332 7.713 -5.206 1.00 0.00 ATOM 618 CA SER 80 -12.860 9.019 -5.641 1.00 0.00 ATOM 619 CB SER 80 -13.948 10.078 -5.433 1.00 0.00 ATOM 620 OG SER 80 -13.522 11.349 -5.897 1.00 0.00 ATOM 621 O SER 80 -11.639 9.966 -3.794 1.00 0.00 ATOM 622 C SER 80 -11.585 9.411 -4.893 1.00 0.00 ATOM 623 N LYS 81 -10.439 9.101 -5.486 1.00 0.00 ATOM 624 CA LYS 81 -9.155 9.417 -4.883 1.00 0.00 ATOM 625 CB LYS 81 -8.770 8.319 -3.878 1.00 0.00 ATOM 626 CG LYS 81 -8.179 8.838 -2.571 1.00 0.00 ATOM 627 CD LYS 81 -6.786 9.426 -2.750 1.00 0.00 ATOM 628 CE LYS 81 -6.215 9.913 -1.422 1.00 0.00 ATOM 629 NZ LYS 81 -4.806 10.372 -1.553 1.00 0.00 ATOM 630 O LYS 81 -7.773 8.570 -6.647 1.00 0.00 ATOM 631 C LYS 81 -8.086 9.545 -5.967 1.00 0.00 ATOM 632 N ALA 82 -7.585 10.768 -6.153 1.00 0.00 ATOM 633 CA ALA 82 -6.451 11.059 -7.044 1.00 0.00 ATOM 634 CB ALA 82 -5.265 10.159 -6.726 1.00 0.00 ATOM 635 O ALA 82 -6.268 11.767 -9.328 1.00 0.00 ATOM 636 C ALA 82 -6.793 10.985 -8.539 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 T0327.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.833 # GDT_score = -60.256 # GDT_score(maxd=8.000,maxw=2.900)= -59.990 # GDT_score(maxd=8.000,maxw=3.200)= -57.872 # GDT_score(maxd=8.000,maxw=3.500)= -55.752 # GDT_score(maxd=10.000,maxw=3.800)= -58.167 # GDT_score(maxd=10.000,maxw=4.000)= -56.795 # GDT_score(maxd=10.000,maxw=4.200)= -55.315 # GDT_score(maxd=12.000,maxw=4.300)= -58.163 # GDT_score(maxd=12.000,maxw=4.500)= -56.695 # GDT_score(maxd=12.000,maxw=4.700)= -55.223 # GDT_score(maxd=14.000,maxw=5.200)= -54.550 # GDT_score(maxd=14.000,maxw=5.500)= -52.451 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.885 # GDT_score = -57.692 # GDT_score(maxd=8.000,maxw=2.900)= -60.086 # GDT_score(maxd=8.000,maxw=3.200)= -56.962 # GDT_score(maxd=8.000,maxw=3.500)= -54.021 # GDT_score(maxd=10.000,maxw=3.800)= -56.626 # GDT_score(maxd=10.000,maxw=4.000)= -54.752 # GDT_score(maxd=10.000,maxw=4.200)= -52.956 # GDT_score(maxd=12.000,maxw=4.300)= -56.420 # GDT_score(maxd=12.000,maxw=4.500)= -54.647 # GDT_score(maxd=12.000,maxw=4.700)= -52.907 # GDT_score(maxd=14.000,maxw=5.200)= -52.287 # GDT_score(maxd=14.000,maxw=5.500)= -50.039 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0327.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0327 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 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0327.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2-proteinshop-2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2-proteinshop.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0327.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try13-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try14-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try15-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0327.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1tbxA-try1-opt2-proteinshop.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1tbxA-try1-opt2-proteinshop # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1tbxA-try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1tbxA-try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1ub9A-dimer11.pdb.gz looking for chain 'A' model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1ub9A-dimer11 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer1-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer1-1tbxA-dimer6 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer2-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer2-1tbxA-dimer6 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer3-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer3-1tbxA-dimer6 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_308476834.pdb -s /var/tmp/to_scwrl_308476834.seq -o /var/tmp/from_scwrl_308476834.pdb > /var/tmp/scwrl_308476834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_308476834.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_495272909.pdb -s /var/tmp/to_scwrl_495272909.seq -o /var/tmp/from_scwrl_495272909.pdb > /var/tmp/scwrl_495272909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_495272909.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1279931421.pdb -s /var/tmp/to_scwrl_1279931421.seq -o /var/tmp/from_scwrl_1279931421.pdb > /var/tmp/scwrl_1279931421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279931421.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_446214173.pdb -s /var/tmp/to_scwrl_446214173.seq -o /var/tmp/from_scwrl_446214173.pdb > /var/tmp/scwrl_446214173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_446214173.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1282124693.pdb -s /var/tmp/to_scwrl_1282124693.seq -o /var/tmp/from_scwrl_1282124693.pdb > /var/tmp/scwrl_1282124693.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282124693.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_588356675.pdb -s /var/tmp/to_scwrl_588356675.seq -o /var/tmp/from_scwrl_588356675.pdb > /var/tmp/scwrl_588356675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_588356675.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_399472152.pdb -s /var/tmp/to_scwrl_399472152.seq -o /var/tmp/from_scwrl_399472152.pdb > /var/tmp/scwrl_399472152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399472152.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_951253905.pdb -s /var/tmp/to_scwrl_951253905.seq -o /var/tmp/from_scwrl_951253905.pdb > /var/tmp/scwrl_951253905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951253905.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2038129139.pdb -s /var/tmp/to_scwrl_2038129139.seq -o /var/tmp/from_scwrl_2038129139.pdb > /var/tmp/scwrl_2038129139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2038129139.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2058667725.pdb -s /var/tmp/to_scwrl_2058667725.seq -o /var/tmp/from_scwrl_2058667725.pdb > /var/tmp/scwrl_2058667725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2058667725.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1461927878.pdb -s /var/tmp/to_scwrl_1461927878.seq -o /var/tmp/from_scwrl_1461927878.pdb > /var/tmp/scwrl_1461927878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1461927878.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1996026561.pdb -s /var/tmp/to_scwrl_1996026561.seq -o /var/tmp/from_scwrl_1996026561.pdb > /var/tmp/scwrl_1996026561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996026561.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 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_792649552.pdb -s /var/tmp/to_scwrl_792649552.seq -o /var/tmp/from_scwrl_792649552.pdb > /var/tmp/scwrl_792649552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792649552.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_905609470.pdb -s /var/tmp/to_scwrl_905609470.seq -o /var/tmp/from_scwrl_905609470.pdb > /var/tmp/scwrl_905609470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_905609470.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 T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_580058500.pdb -s /var/tmp/to_scwrl_580058500.seq -o /var/tmp/from_scwrl_580058500.pdb > /var/tmp/scwrl_580058500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_580058500.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 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1030455532.pdb -s /var/tmp/to_scwrl_1030455532.seq -o /var/tmp/from_scwrl_1030455532.pdb > /var/tmp/scwrl_1030455532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030455532.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 34 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_423073685.pdb -s /var/tmp/to_scwrl_423073685.seq -o /var/tmp/from_scwrl_423073685.pdb > /var/tmp/scwrl_423073685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423073685.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 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1167995245.pdb -s /var/tmp/to_scwrl_1167995245.seq -o /var/tmp/from_scwrl_1167995245.pdb > /var/tmp/scwrl_1167995245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1167995245.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 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1398210981.pdb -s /var/tmp/to_scwrl_1398210981.seq -o /var/tmp/from_scwrl_1398210981.pdb > /var/tmp/scwrl_1398210981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1398210981.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 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_594940523.pdb -s /var/tmp/to_scwrl_594940523.seq -o /var/tmp/from_scwrl_594940523.pdb > /var/tmp/scwrl_594940523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594940523.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 97 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1494406102.pdb -s /var/tmp/to_scwrl_1494406102.seq -o /var/tmp/from_scwrl_1494406102.pdb > /var/tmp/scwrl_1494406102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1494406102.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 78 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1432595716.pdb -s /var/tmp/to_scwrl_1432595716.seq -o /var/tmp/from_scwrl_1432595716.pdb > /var/tmp/scwrl_1432595716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432595716.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 52 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1282201141.pdb -s /var/tmp/to_scwrl_1282201141.seq -o /var/tmp/from_scwrl_1282201141.pdb > /var/tmp/scwrl_1282201141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282201141.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 99 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1045775505.pdb -s /var/tmp/to_scwrl_1045775505.seq -o /var/tmp/from_scwrl_1045775505.pdb > /var/tmp/scwrl_1045775505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1045775505.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 89 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1106997586.pdb -s /var/tmp/to_scwrl_1106997586.seq -o /var/tmp/from_scwrl_1106997586.pdb > /var/tmp/scwrl_1106997586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1106997586.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 55 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1245553274.pdb -s /var/tmp/to_scwrl_1245553274.seq -o /var/tmp/from_scwrl_1245553274.pdb > /var/tmp/scwrl_1245553274.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245553274.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1588763731.pdb -s /var/tmp/to_scwrl_1588763731.seq -o /var/tmp/from_scwrl_1588763731.pdb > /var/tmp/scwrl_1588763731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1588763731.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 64 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_435155289.pdb -s /var/tmp/to_scwrl_435155289.seq -o /var/tmp/from_scwrl_435155289.pdb > /var/tmp/scwrl_435155289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_435155289.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_643005947.pdb -s /var/tmp/to_scwrl_643005947.seq -o /var/tmp/from_scwrl_643005947.pdb > /var/tmp/scwrl_643005947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_643005947.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_742442781.pdb -s /var/tmp/to_scwrl_742442781.seq -o /var/tmp/from_scwrl_742442781.pdb > /var/tmp/scwrl_742442781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_742442781.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1297767152.pdb -s /var/tmp/to_scwrl_1297767152.seq -o /var/tmp/from_scwrl_1297767152.pdb > /var/tmp/scwrl_1297767152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1297767152.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 89 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_951482781.pdb -s /var/tmp/to_scwrl_951482781.seq -o /var/tmp/from_scwrl_951482781.pdb > /var/tmp/scwrl_951482781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951482781.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 90 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1237715689.pdb -s /var/tmp/to_scwrl_1237715689.seq -o /var/tmp/from_scwrl_1237715689.pdb > /var/tmp/scwrl_1237715689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237715689.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 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_430214928.pdb -s /var/tmp/to_scwrl_430214928.seq -o /var/tmp/from_scwrl_430214928.pdb > /var/tmp/scwrl_430214928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_430214928.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1397696953.pdb -s /var/tmp/to_scwrl_1397696953.seq -o /var/tmp/from_scwrl_1397696953.pdb > /var/tmp/scwrl_1397696953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1397696953.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_372356736.pdb -s /var/tmp/to_scwrl_372356736.seq -o /var/tmp/from_scwrl_372356736.pdb > /var/tmp/scwrl_372356736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_372356736.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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1018571603.pdb -s /var/tmp/to_scwrl_1018571603.seq -o /var/tmp/from_scwrl_1018571603.pdb > /var/tmp/scwrl_1018571603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018571603.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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1797169105.pdb -s /var/tmp/to_scwrl_1797169105.seq -o /var/tmp/from_scwrl_1797169105.pdb > /var/tmp/scwrl_1797169105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1797169105.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1323610640.pdb -s /var/tmp/to_scwrl_1323610640.seq -o /var/tmp/from_scwrl_1323610640.pdb > /var/tmp/scwrl_1323610640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323610640.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 T0327 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_909217095.pdb -s /var/tmp/to_scwrl_909217095.seq -o /var/tmp/from_scwrl_909217095.pdb > /var/tmp/scwrl_909217095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_909217095.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1708353183.pdb -s /var/tmp/to_scwrl_1708353183.seq -o /var/tmp/from_scwrl_1708353183.pdb > /var/tmp/scwrl_1708353183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1708353183.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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_638054873.pdb -s /var/tmp/to_scwrl_638054873.seq -o /var/tmp/from_scwrl_638054873.pdb > /var/tmp/scwrl_638054873.log Error: can't open any of /var/tmp/from_scwrl_638054873.pdb or /var/tmp/from_scwrl_638054873_b.pdb or /var/tmp/from_scwrl_638054873_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_757760009.pdb -s /var/tmp/to_scwrl_757760009.seq -o /var/tmp/from_scwrl_757760009.pdb > /var/tmp/scwrl_757760009.log Error: can't open any of /var/tmp/from_scwrl_757760009.pdb or /var/tmp/from_scwrl_757760009_b.pdb or /var/tmp/from_scwrl_757760009_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_353519089.pdb -s /var/tmp/to_scwrl_353519089.seq -o /var/tmp/from_scwrl_353519089.pdb > /var/tmp/scwrl_353519089.log Error: can't open any of /var/tmp/from_scwrl_353519089.pdb or /var/tmp/from_scwrl_353519089_b.pdb or /var/tmp/from_scwrl_353519089_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1543664342.pdb -s /var/tmp/to_scwrl_1543664342.seq -o /var/tmp/from_scwrl_1543664342.pdb > /var/tmp/scwrl_1543664342.log Error: can't open any of /var/tmp/from_scwrl_1543664342.pdb or /var/tmp/from_scwrl_1543664342_b.pdb or /var/tmp/from_scwrl_1543664342_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 T0327 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1337818508.pdb -s /var/tmp/to_scwrl_1337818508.seq -o /var/tmp/from_scwrl_1337818508.pdb > /var/tmp/scwrl_1337818508.log Error: can't open any of /var/tmp/from_scwrl_1337818508.pdb or /var/tmp/from_scwrl_1337818508_b.pdb or /var/tmp/from_scwrl_1337818508_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 100 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1383974620.pdb -s /var/tmp/to_scwrl_1383974620.seq -o /var/tmp/from_scwrl_1383974620.pdb > /var/tmp/scwrl_1383974620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1383974620.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1966738028.pdb -s /var/tmp/to_scwrl_1966738028.seq -o /var/tmp/from_scwrl_1966738028.pdb > /var/tmp/scwrl_1966738028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966738028.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_358330108.pdb -s /var/tmp/to_scwrl_358330108.seq -o /var/tmp/from_scwrl_358330108.pdb > /var/tmp/scwrl_358330108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358330108.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_634701955.pdb -s /var/tmp/to_scwrl_634701955.seq -o /var/tmp/from_scwrl_634701955.pdb > /var/tmp/scwrl_634701955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634701955.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_414194904.pdb -s /var/tmp/to_scwrl_414194904.seq -o /var/tmp/from_scwrl_414194904.pdb > /var/tmp/scwrl_414194904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_414194904.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1852736210.pdb -s /var/tmp/to_scwrl_1852736210.seq -o /var/tmp/from_scwrl_1852736210.pdb > /var/tmp/scwrl_1852736210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1852736210.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 89 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2067297671.pdb -s /var/tmp/to_scwrl_2067297671.seq -o /var/tmp/from_scwrl_2067297671.pdb > /var/tmp/scwrl_2067297671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067297671.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 90 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1696396045.pdb -s /var/tmp/to_scwrl_1696396045.seq -o /var/tmp/from_scwrl_1696396045.pdb > /var/tmp/scwrl_1696396045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1696396045.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 T0327 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_751028069.pdb -s /var/tmp/to_scwrl_751028069.seq -o /var/tmp/from_scwrl_751028069.pdb > /var/tmp/scwrl_751028069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751028069.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1026811611.pdb -s /var/tmp/to_scwrl_1026811611.seq -o /var/tmp/from_scwrl_1026811611.pdb > /var/tmp/scwrl_1026811611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1026811611.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 58 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_794465673.pdb -s /var/tmp/to_scwrl_794465673.seq -o /var/tmp/from_scwrl_794465673.pdb > /var/tmp/scwrl_794465673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_794465673.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 63 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_192308153.pdb -s /var/tmp/to_scwrl_192308153.seq -o /var/tmp/from_scwrl_192308153.pdb > /var/tmp/scwrl_192308153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192308153.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1461966900.pdb -s /var/tmp/to_scwrl_1461966900.seq -o /var/tmp/from_scwrl_1461966900.pdb > /var/tmp/scwrl_1461966900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1461966900.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 62 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1437471620.pdb -s /var/tmp/to_scwrl_1437471620.seq -o /var/tmp/from_scwrl_1437471620.pdb > /var/tmp/scwrl_1437471620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1437471620.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 61 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_934750934.pdb -s /var/tmp/to_scwrl_934750934.seq -o /var/tmp/from_scwrl_934750934.pdb > /var/tmp/scwrl_934750934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_934750934.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_612250406.pdb -s /var/tmp/to_scwrl_612250406.seq -o /var/tmp/from_scwrl_612250406.pdb > /var/tmp/scwrl_612250406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612250406.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_241470754.pdb -s /var/tmp/to_scwrl_241470754.seq -o /var/tmp/from_scwrl_241470754.pdb > /var/tmp/scwrl_241470754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_241470754.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_24982976.pdb -s /var/tmp/to_scwrl_24982976.seq -o /var/tmp/from_scwrl_24982976.pdb > /var/tmp/scwrl_24982976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24982976.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1042465334.pdb -s /var/tmp/to_scwrl_1042465334.seq -o /var/tmp/from_scwrl_1042465334.pdb > /var/tmp/scwrl_1042465334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1042465334.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1639167708.pdb -s /var/tmp/to_scwrl_1639167708.seq -o /var/tmp/from_scwrl_1639167708.pdb > /var/tmp/scwrl_1639167708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639167708.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_397339712.pdb -s /var/tmp/to_scwrl_397339712.seq -o /var/tmp/from_scwrl_397339712.pdb > /var/tmp/scwrl_397339712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_397339712.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2061036936.pdb -s /var/tmp/to_scwrl_2061036936.seq -o /var/tmp/from_scwrl_2061036936.pdb > /var/tmp/scwrl_2061036936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2061036936.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1288853166.pdb -s /var/tmp/to_scwrl_1288853166.seq -o /var/tmp/from_scwrl_1288853166.pdb > /var/tmp/scwrl_1288853166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288853166.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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1720950352.pdb -s /var/tmp/to_scwrl_1720950352.seq -o /var/tmp/from_scwrl_1720950352.pdb > /var/tmp/scwrl_1720950352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720950352.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_822770384.pdb -s /var/tmp/to_scwrl_822770384.seq -o /var/tmp/from_scwrl_822770384.pdb > /var/tmp/scwrl_822770384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822770384.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 99 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_849722704.pdb -s /var/tmp/to_scwrl_849722704.seq -o /var/tmp/from_scwrl_849722704.pdb > /var/tmp/scwrl_849722704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_849722704.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 101 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_211521578.pdb -s /var/tmp/to_scwrl_211521578.seq -o /var/tmp/from_scwrl_211521578.pdb > /var/tmp/scwrl_211521578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211521578.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 101 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1580530392.pdb -s /var/tmp/to_scwrl_1580530392.seq -o /var/tmp/from_scwrl_1580530392.pdb > /var/tmp/scwrl_1580530392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580530392.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 75 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1203241792.pdb -s /var/tmp/to_scwrl_1203241792.seq -o /var/tmp/from_scwrl_1203241792.pdb > /var/tmp/scwrl_1203241792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1203241792.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 96 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1755185921.pdb -s /var/tmp/to_scwrl_1755185921.seq -o /var/tmp/from_scwrl_1755185921.pdb > /var/tmp/scwrl_1755185921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755185921.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 68 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_770865255.pdb -s /var/tmp/to_scwrl_770865255.seq -o /var/tmp/from_scwrl_770865255.pdb > /var/tmp/scwrl_770865255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_770865255.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 78 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_439732766.pdb -s /var/tmp/to_scwrl_439732766.seq -o /var/tmp/from_scwrl_439732766.pdb > /var/tmp/scwrl_439732766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_439732766.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1574440302.pdb -s /var/tmp/to_scwrl_1574440302.seq -o /var/tmp/from_scwrl_1574440302.pdb > /var/tmp/scwrl_1574440302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574440302.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 95 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1129195362.pdb -s /var/tmp/to_scwrl_1129195362.seq -o /var/tmp/from_scwrl_1129195362.pdb > /var/tmp/scwrl_1129195362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1129195362.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1074434720.pdb -s /var/tmp/to_scwrl_1074434720.seq -o /var/tmp/from_scwrl_1074434720.pdb > /var/tmp/scwrl_1074434720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1074434720.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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1988635206.pdb -s /var/tmp/to_scwrl_1988635206.seq -o /var/tmp/from_scwrl_1988635206.pdb > /var/tmp/scwrl_1988635206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988635206.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_834447926.pdb -s /var/tmp/to_scwrl_834447926.seq -o /var/tmp/from_scwrl_834447926.pdb > /var/tmp/scwrl_834447926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_834447926.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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_994248745.pdb -s /var/tmp/to_scwrl_994248745.seq -o /var/tmp/from_scwrl_994248745.pdb > /var/tmp/scwrl_994248745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994248745.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 T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1537547605.pdb -s /var/tmp/to_scwrl_1537547605.seq -o /var/tmp/from_scwrl_1537547605.pdb > /var/tmp/scwrl_1537547605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1537547605.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1585475994.pdb -s /var/tmp/to_scwrl_1585475994.seq -o /var/tmp/from_scwrl_1585475994.pdb > /var/tmp/scwrl_1585475994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1585475994.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 99 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2021060355.pdb -s /var/tmp/to_scwrl_2021060355.seq -o /var/tmp/from_scwrl_2021060355.pdb > /var/tmp/scwrl_2021060355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2021060355.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 99 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_184529631.pdb -s /var/tmp/to_scwrl_184529631.seq -o /var/tmp/from_scwrl_184529631.pdb > /var/tmp/scwrl_184529631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184529631.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 97 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1777784147.pdb -s /var/tmp/to_scwrl_1777784147.seq -o /var/tmp/from_scwrl_1777784147.pdb > /var/tmp/scwrl_1777784147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777784147.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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1335543608.pdb -s /var/tmp/to_scwrl_1335543608.seq -o /var/tmp/from_scwrl_1335543608.pdb > /var/tmp/scwrl_1335543608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1335543608.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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1622001251.pdb -s /var/tmp/to_scwrl_1622001251.seq -o /var/tmp/from_scwrl_1622001251.pdb > /var/tmp/scwrl_1622001251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1622001251.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_565051434.pdb -s /var/tmp/to_scwrl_565051434.seq -o /var/tmp/from_scwrl_565051434.pdb > /var/tmp/scwrl_565051434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_565051434.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 78 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1947794015.pdb -s /var/tmp/to_scwrl_1947794015.seq -o /var/tmp/from_scwrl_1947794015.pdb > /var/tmp/scwrl_1947794015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1947794015.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1863472006.pdb -s /var/tmp/to_scwrl_1863472006.seq -o /var/tmp/from_scwrl_1863472006.pdb > /var/tmp/scwrl_1863472006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1863472006.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 62 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_590034410.pdb -s /var/tmp/to_scwrl_590034410.seq -o /var/tmp/from_scwrl_590034410.pdb > /var/tmp/scwrl_590034410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_590034410.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 64 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_842775702.pdb -s /var/tmp/to_scwrl_842775702.seq -o /var/tmp/from_scwrl_842775702.pdb > /var/tmp/scwrl_842775702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842775702.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 47 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1355156067.pdb -s /var/tmp/to_scwrl_1355156067.seq -o /var/tmp/from_scwrl_1355156067.pdb > /var/tmp/scwrl_1355156067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1355156067.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 55 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_987374122.pdb -s /var/tmp/to_scwrl_987374122.seq -o /var/tmp/from_scwrl_987374122.pdb > /var/tmp/scwrl_987374122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_987374122.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 55 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_756328992.pdb -s /var/tmp/to_scwrl_756328992.seq -o /var/tmp/from_scwrl_756328992.pdb > /var/tmp/scwrl_756328992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_756328992.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_496525587.pdb -s /var/tmp/to_scwrl_496525587.seq -o /var/tmp/from_scwrl_496525587.pdb > /var/tmp/scwrl_496525587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_496525587.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_560840828.pdb -s /var/tmp/to_scwrl_560840828.seq -o /var/tmp/from_scwrl_560840828.pdb > /var/tmp/scwrl_560840828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_560840828.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1579099375.pdb -s /var/tmp/to_scwrl_1579099375.seq -o /var/tmp/from_scwrl_1579099375.pdb > /var/tmp/scwrl_1579099375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1579099375.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1346248290.pdb -s /var/tmp/to_scwrl_1346248290.seq -o /var/tmp/from_scwrl_1346248290.pdb > /var/tmp/scwrl_1346248290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1346248290.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 T0327 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_772362406.pdb -s /var/tmp/to_scwrl_772362406.seq -o /var/tmp/from_scwrl_772362406.pdb > /var/tmp/scwrl_772362406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_772362406.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1012146122.pdb -s /var/tmp/to_scwrl_1012146122.seq -o /var/tmp/from_scwrl_1012146122.pdb > /var/tmp/scwrl_1012146122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012146122.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_402006436.pdb -s /var/tmp/to_scwrl_402006436.seq -o /var/tmp/from_scwrl_402006436.pdb > /var/tmp/scwrl_402006436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_402006436.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_380064680.pdb -s /var/tmp/to_scwrl_380064680.seq -o /var/tmp/from_scwrl_380064680.pdb > /var/tmp/scwrl_380064680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_380064680.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1783011376.pdb -s /var/tmp/to_scwrl_1783011376.seq -o /var/tmp/from_scwrl_1783011376.pdb > /var/tmp/scwrl_1783011376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1783011376.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 T0327 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_841739202.pdb -s /var/tmp/to_scwrl_841739202.seq -o /var/tmp/from_scwrl_841739202.pdb > /var/tmp/scwrl_841739202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841739202.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1954504982.pdb -s /var/tmp/to_scwrl_1954504982.seq -o /var/tmp/from_scwrl_1954504982.pdb > /var/tmp/scwrl_1954504982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1954504982.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 92 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_764723092.pdb -s /var/tmp/to_scwrl_764723092.seq -o /var/tmp/from_scwrl_764723092.pdb > /var/tmp/scwrl_764723092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764723092.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 64 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1916173922.pdb -s /var/tmp/to_scwrl_1916173922.seq -o /var/tmp/from_scwrl_1916173922.pdb > /var/tmp/scwrl_1916173922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1916173922.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 92 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1795656542.pdb -s /var/tmp/to_scwrl_1795656542.seq -o /var/tmp/from_scwrl_1795656542.pdb > /var/tmp/scwrl_1795656542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1795656542.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1599171017.pdb -s /var/tmp/to_scwrl_1599171017.seq -o /var/tmp/from_scwrl_1599171017.pdb > /var/tmp/scwrl_1599171017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599171017.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 89 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_762939020.pdb -s /var/tmp/to_scwrl_762939020.seq -o /var/tmp/from_scwrl_762939020.pdb > /var/tmp/scwrl_762939020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_762939020.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 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1185720500.pdb -s /var/tmp/to_scwrl_1185720500.seq -o /var/tmp/from_scwrl_1185720500.pdb > /var/tmp/scwrl_1185720500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1185720500.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1037163366.pdb -s /var/tmp/to_scwrl_1037163366.seq -o /var/tmp/from_scwrl_1037163366.pdb > /var/tmp/scwrl_1037163366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037163366.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 92 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_636515729.pdb -s /var/tmp/to_scwrl_636515729.seq -o /var/tmp/from_scwrl_636515729.pdb > /var/tmp/scwrl_636515729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_636515729.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 48 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1370250131.pdb -s /var/tmp/to_scwrl_1370250131.seq -o /var/tmp/from_scwrl_1370250131.pdb > /var/tmp/scwrl_1370250131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1370250131.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 89 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_667463866.pdb -s /var/tmp/to_scwrl_667463866.seq -o /var/tmp/from_scwrl_667463866.pdb > /var/tmp/scwrl_667463866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667463866.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 97 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1972059337.pdb -s /var/tmp/to_scwrl_1972059337.seq -o /var/tmp/from_scwrl_1972059337.pdb > /var/tmp/scwrl_1972059337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1972059337.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 99 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_844767737.pdb -s /var/tmp/to_scwrl_844767737.seq -o /var/tmp/from_scwrl_844767737.pdb > /var/tmp/scwrl_844767737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844767737.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1232515300.pdb -s /var/tmp/to_scwrl_1232515300.seq -o /var/tmp/from_scwrl_1232515300.pdb > /var/tmp/scwrl_1232515300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1232515300.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1772369705.pdb -s /var/tmp/to_scwrl_1772369705.seq -o /var/tmp/from_scwrl_1772369705.pdb > /var/tmp/scwrl_1772369705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1772369705.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 98 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_560756096.pdb -s /var/tmp/to_scwrl_560756096.seq -o /var/tmp/from_scwrl_560756096.pdb > /var/tmp/scwrl_560756096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_560756096.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 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1822549710.pdb -s /var/tmp/to_scwrl_1822549710.seq -o /var/tmp/from_scwrl_1822549710.pdb > /var/tmp/scwrl_1822549710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1822549710.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 83 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_467661761.pdb -s /var/tmp/to_scwrl_467661761.seq -o /var/tmp/from_scwrl_467661761.pdb > /var/tmp/scwrl_467661761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467661761.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 101 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1915912163.pdb -s /var/tmp/to_scwrl_1915912163.seq -o /var/tmp/from_scwrl_1915912163.pdb > /var/tmp/scwrl_1915912163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915912163.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 98 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_662440186.pdb -s /var/tmp/to_scwrl_662440186.seq -o /var/tmp/from_scwrl_662440186.pdb > /var/tmp/scwrl_662440186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662440186.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 97 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1223990752.pdb -s /var/tmp/to_scwrl_1223990752.seq -o /var/tmp/from_scwrl_1223990752.pdb > /var/tmp/scwrl_1223990752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1223990752.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 100 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_264954103.pdb -s /var/tmp/to_scwrl_264954103.seq -o /var/tmp/from_scwrl_264954103.pdb > /var/tmp/scwrl_264954103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_264954103.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 92 ; scwrl -i /var/tmp/to_scwrl_1223281013.pdb -s /var/tmp/to_scwrl_1223281013.seq -o /var/tmp/from_scwrl_1223281013.pdb > /var/tmp/scwrl_1223281013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1223281013.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 92 ; scwrl -i /var/tmp/to_scwrl_655606481.pdb -s /var/tmp/to_scwrl_655606481.seq -o /var/tmp/from_scwrl_655606481.pdb > /var/tmp/scwrl_655606481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_655606481.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 92 ; scwrl -i /var/tmp/to_scwrl_1611202394.pdb -s /var/tmp/to_scwrl_1611202394.seq -o /var/tmp/from_scwrl_1611202394.pdb > /var/tmp/scwrl_1611202394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611202394.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 92 ; scwrl -i /var/tmp/to_scwrl_1995643419.pdb -s /var/tmp/to_scwrl_1995643419.seq -o /var/tmp/from_scwrl_1995643419.pdb > /var/tmp/scwrl_1995643419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1995643419.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 92 ; scwrl -i /var/tmp/to_scwrl_1667752602.pdb -s /var/tmp/to_scwrl_1667752602.seq -o /var/tmp/from_scwrl_1667752602.pdb > /var/tmp/scwrl_1667752602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1667752602.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 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2013208830.pdb -s /var/tmp/to_scwrl_2013208830.seq -o /var/tmp/from_scwrl_2013208830.pdb > /var/tmp/scwrl_2013208830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013208830.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 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_228224453.pdb -s /var/tmp/to_scwrl_228224453.seq -o /var/tmp/from_scwrl_228224453.pdb > /var/tmp/scwrl_228224453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228224453.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 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1303280331.pdb -s /var/tmp/to_scwrl_1303280331.seq -o /var/tmp/from_scwrl_1303280331.pdb > /var/tmp/scwrl_1303280331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1303280331.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 64 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_707464386.pdb -s /var/tmp/to_scwrl_707464386.seq -o /var/tmp/from_scwrl_707464386.pdb > /var/tmp/scwrl_707464386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707464386.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 81 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_35245788.pdb -s /var/tmp/to_scwrl_35245788.seq -o /var/tmp/from_scwrl_35245788.pdb > /var/tmp/scwrl_35245788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_35245788.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2068003423.pdb -s /var/tmp/to_scwrl_2068003423.seq -o /var/tmp/from_scwrl_2068003423.pdb > /var/tmp/scwrl_2068003423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2068003423.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_476154661.pdb -s /var/tmp/to_scwrl_476154661.seq -o /var/tmp/from_scwrl_476154661.pdb > /var/tmp/scwrl_476154661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_476154661.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 T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1830902330.pdb -s /var/tmp/to_scwrl_1830902330.seq -o /var/tmp/from_scwrl_1830902330.pdb > /var/tmp/scwrl_1830902330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830902330.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1519690794.pdb -s /var/tmp/to_scwrl_1519690794.seq -o /var/tmp/from_scwrl_1519690794.pdb > /var/tmp/scwrl_1519690794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1519690794.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1239093681.pdb -s /var/tmp/to_scwrl_1239093681.seq -o /var/tmp/from_scwrl_1239093681.pdb > /var/tmp/scwrl_1239093681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1239093681.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 T0327 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_869139184.pdb -s /var/tmp/to_scwrl_869139184.seq -o /var/tmp/from_scwrl_869139184.pdb > /var/tmp/scwrl_869139184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_869139184.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_409370513.pdb -s /var/tmp/to_scwrl_409370513.seq -o /var/tmp/from_scwrl_409370513.pdb > /var/tmp/scwrl_409370513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409370513.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1875609410.pdb -s /var/tmp/to_scwrl_1875609410.seq -o /var/tmp/from_scwrl_1875609410.pdb > /var/tmp/scwrl_1875609410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1875609410.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_91905669.pdb -s /var/tmp/to_scwrl_91905669.seq -o /var/tmp/from_scwrl_91905669.pdb > /var/tmp/scwrl_91905669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91905669.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1076834378.pdb -s /var/tmp/to_scwrl_1076834378.seq -o /var/tmp/from_scwrl_1076834378.pdb > /var/tmp/scwrl_1076834378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1076834378.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1700185100.pdb -s /var/tmp/to_scwrl_1700185100.seq -o /var/tmp/from_scwrl_1700185100.pdb > /var/tmp/scwrl_1700185100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700185100.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_936673406.pdb -s /var/tmp/to_scwrl_936673406.seq -o /var/tmp/from_scwrl_936673406.pdb > /var/tmp/scwrl_936673406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936673406.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 77 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_161866032.pdb -s /var/tmp/to_scwrl_161866032.seq -o /var/tmp/from_scwrl_161866032.pdb > /var/tmp/scwrl_161866032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161866032.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 59 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1325071159.pdb -s /var/tmp/to_scwrl_1325071159.seq -o /var/tmp/from_scwrl_1325071159.pdb > /var/tmp/scwrl_1325071159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325071159.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1497429501.pdb -s /var/tmp/to_scwrl_1497429501.seq -o /var/tmp/from_scwrl_1497429501.pdb > /var/tmp/scwrl_1497429501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1497429501.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 51 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1984415743.pdb -s /var/tmp/to_scwrl_1984415743.seq -o /var/tmp/from_scwrl_1984415743.pdb > /var/tmp/scwrl_1984415743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1984415743.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 79 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1792732920.pdb -s /var/tmp/to_scwrl_1792732920.seq -o /var/tmp/from_scwrl_1792732920.pdb > /var/tmp/scwrl_1792732920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1792732920.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1265858017.pdb -s /var/tmp/to_scwrl_1265858017.seq -o /var/tmp/from_scwrl_1265858017.pdb > /var/tmp/scwrl_1265858017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1265858017.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 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_499372282.pdb -s /var/tmp/to_scwrl_499372282.seq -o /var/tmp/from_scwrl_499372282.pdb > /var/tmp/scwrl_499372282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499372282.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 18 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_869240026.pdb -s /var/tmp/to_scwrl_869240026.seq -o /var/tmp/from_scwrl_869240026.pdb > /var/tmp/scwrl_869240026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_869240026.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1530812120.pdb -s /var/tmp/to_scwrl_1530812120.seq -o /var/tmp/from_scwrl_1530812120.pdb > /var/tmp/scwrl_1530812120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1530812120.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 99 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1722653295.pdb -s /var/tmp/to_scwrl_1722653295.seq -o /var/tmp/from_scwrl_1722653295.pdb > /var/tmp/scwrl_1722653295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722653295.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 62 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1524846506.pdb -s /var/tmp/to_scwrl_1524846506.seq -o /var/tmp/from_scwrl_1524846506.pdb > /var/tmp/scwrl_1524846506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524846506.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 31 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_994530868.pdb -s /var/tmp/to_scwrl_994530868.seq -o /var/tmp/from_scwrl_994530868.pdb > /var/tmp/scwrl_994530868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994530868.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1570813067.pdb -s /var/tmp/to_scwrl_1570813067.seq -o /var/tmp/from_scwrl_1570813067.pdb > /var/tmp/scwrl_1570813067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1570813067.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1045115463.pdb -s /var/tmp/to_scwrl_1045115463.seq -o /var/tmp/from_scwrl_1045115463.pdb > /var/tmp/scwrl_1045115463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1045115463.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 88 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_860256052.pdb -s /var/tmp/to_scwrl_860256052.seq -o /var/tmp/from_scwrl_860256052.pdb > /var/tmp/scwrl_860256052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_860256052.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 82 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1799037520.pdb -s /var/tmp/to_scwrl_1799037520.seq -o /var/tmp/from_scwrl_1799037520.pdb > /var/tmp/scwrl_1799037520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1799037520.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 96 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_200912147.pdb -s /var/tmp/to_scwrl_200912147.seq -o /var/tmp/from_scwrl_200912147.pdb > /var/tmp/scwrl_200912147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_200912147.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1567720437.pdb -s /var/tmp/to_scwrl_1567720437.seq -o /var/tmp/from_scwrl_1567720437.pdb > /var/tmp/scwrl_1567720437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1567720437.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 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1834283309.pdb -s /var/tmp/to_scwrl_1834283309.seq -o /var/tmp/from_scwrl_1834283309.pdb > /var/tmp/scwrl_1834283309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1834283309.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 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_121431924.pdb -s /var/tmp/to_scwrl_121431924.seq -o /var/tmp/from_scwrl_121431924.pdb > /var/tmp/scwrl_121431924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_121431924.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 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2043875098.pdb -s /var/tmp/to_scwrl_2043875098.seq -o /var/tmp/from_scwrl_2043875098.pdb > /var/tmp/scwrl_2043875098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2043875098.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 75 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1517701992.pdb -s /var/tmp/to_scwrl_1517701992.seq -o /var/tmp/from_scwrl_1517701992.pdb > /var/tmp/scwrl_1517701992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1517701992.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 51 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1641122718.pdb -s /var/tmp/to_scwrl_1641122718.seq -o /var/tmp/from_scwrl_1641122718.pdb > /var/tmp/scwrl_1641122718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1641122718.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 77 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1135485132.pdb -s /var/tmp/to_scwrl_1135485132.seq -o /var/tmp/from_scwrl_1135485132.pdb > /var/tmp/scwrl_1135485132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1135485132.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_239357530.pdb -s /var/tmp/to_scwrl_239357530.seq -o /var/tmp/from_scwrl_239357530.pdb > /var/tmp/scwrl_239357530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_239357530.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2050493231.pdb -s /var/tmp/to_scwrl_2050493231.seq -o /var/tmp/from_scwrl_2050493231.pdb > /var/tmp/scwrl_2050493231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050493231.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_863610896.pdb -s /var/tmp/to_scwrl_863610896.seq -o /var/tmp/from_scwrl_863610896.pdb > /var/tmp/scwrl_863610896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_863610896.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_331263199.pdb -s /var/tmp/to_scwrl_331263199.seq -o /var/tmp/from_scwrl_331263199.pdb > /var/tmp/scwrl_331263199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331263199.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_979843963.pdb -s /var/tmp/to_scwrl_979843963.seq -o /var/tmp/from_scwrl_979843963.pdb > /var/tmp/scwrl_979843963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979843963.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_416312350.pdb -s /var/tmp/to_scwrl_416312350.seq -o /var/tmp/from_scwrl_416312350.pdb > /var/tmp/scwrl_416312350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_416312350.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1267936604.pdb -s /var/tmp/to_scwrl_1267936604.seq -o /var/tmp/from_scwrl_1267936604.pdb > /var/tmp/scwrl_1267936604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1267936604.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1141709995.pdb -s /var/tmp/to_scwrl_1141709995.seq -o /var/tmp/from_scwrl_1141709995.pdb > /var/tmp/scwrl_1141709995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1141709995.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1741383509.pdb -s /var/tmp/to_scwrl_1741383509.seq -o /var/tmp/from_scwrl_1741383509.pdb > /var/tmp/scwrl_1741383509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741383509.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_617882459.pdb -s /var/tmp/to_scwrl_617882459.seq -o /var/tmp/from_scwrl_617882459.pdb > /var/tmp/scwrl_617882459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_617882459.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_978642092.pdb -s /var/tmp/to_scwrl_978642092.seq -o /var/tmp/from_scwrl_978642092.pdb > /var/tmp/scwrl_978642092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978642092.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1386632782.pdb -s /var/tmp/to_scwrl_1386632782.seq -o /var/tmp/from_scwrl_1386632782.pdb > /var/tmp/scwrl_1386632782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386632782.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1883740476.pdb -s /var/tmp/to_scwrl_1883740476.seq -o /var/tmp/from_scwrl_1883740476.pdb > /var/tmp/scwrl_1883740476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1883740476.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1478014373.pdb -s /var/tmp/to_scwrl_1478014373.seq -o /var/tmp/from_scwrl_1478014373.pdb > /var/tmp/scwrl_1478014373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478014373.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_108389161.pdb -s /var/tmp/to_scwrl_108389161.seq -o /var/tmp/from_scwrl_108389161.pdb > /var/tmp/scwrl_108389161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_108389161.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1267068949.pdb -s /var/tmp/to_scwrl_1267068949.seq -o /var/tmp/from_scwrl_1267068949.pdb > /var/tmp/scwrl_1267068949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1267068949.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1053184022.pdb -s /var/tmp/to_scwrl_1053184022.seq -o /var/tmp/from_scwrl_1053184022.pdb > /var/tmp/scwrl_1053184022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053184022.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1633235667.pdb -s /var/tmp/to_scwrl_1633235667.seq -o /var/tmp/from_scwrl_1633235667.pdb > /var/tmp/scwrl_1633235667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633235667.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_114116171.pdb -s /var/tmp/to_scwrl_114116171.seq -o /var/tmp/from_scwrl_114116171.pdb > /var/tmp/scwrl_114116171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_114116171.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 T0327 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_476513442.pdb -s /var/tmp/to_scwrl_476513442.seq -o /var/tmp/from_scwrl_476513442.pdb > /var/tmp/scwrl_476513442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_476513442.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 77 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_530867483.pdb -s /var/tmp/to_scwrl_530867483.seq -o /var/tmp/from_scwrl_530867483.pdb > /var/tmp/scwrl_530867483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530867483.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 66 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_974372223.pdb -s /var/tmp/to_scwrl_974372223.seq -o /var/tmp/from_scwrl_974372223.pdb > /var/tmp/scwrl_974372223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_974372223.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 93 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_128067316.pdb -s /var/tmp/to_scwrl_128067316.seq -o /var/tmp/from_scwrl_128067316.pdb > /var/tmp/scwrl_128067316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_128067316.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 59 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_731779631.pdb -s /var/tmp/to_scwrl_731779631.seq -o /var/tmp/from_scwrl_731779631.pdb > /var/tmp/scwrl_731779631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_731779631.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 79 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_394609013.pdb -s /var/tmp/to_scwrl_394609013.seq -o /var/tmp/from_scwrl_394609013.pdb > /var/tmp/scwrl_394609013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394609013.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 58 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1962350625.pdb -s /var/tmp/to_scwrl_1962350625.seq -o /var/tmp/from_scwrl_1962350625.pdb > /var/tmp/scwrl_1962350625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962350625.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 20 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_853211555.pdb -s /var/tmp/to_scwrl_853211555.seq -o /var/tmp/from_scwrl_853211555.pdb > /var/tmp/scwrl_853211555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853211555.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 75 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_291000464.pdb -s /var/tmp/to_scwrl_291000464.seq -o /var/tmp/from_scwrl_291000464.pdb > /var/tmp/scwrl_291000464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_291000464.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 82 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1332568970.pdb -s /var/tmp/to_scwrl_1332568970.seq -o /var/tmp/from_scwrl_1332568970.pdb > /var/tmp/scwrl_1332568970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332568970.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 88 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_346850626.pdb -s /var/tmp/to_scwrl_346850626.seq -o /var/tmp/from_scwrl_346850626.pdb > /var/tmp/scwrl_346850626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346850626.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1426485597.pdb -s /var/tmp/to_scwrl_1426485597.seq -o /var/tmp/from_scwrl_1426485597.pdb > /var/tmp/scwrl_1426485597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1426485597.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 22 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1571926500.pdb -s /var/tmp/to_scwrl_1571926500.seq -o /var/tmp/from_scwrl_1571926500.pdb > /var/tmp/scwrl_1571926500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1571926500.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_249860210.pdb -s /var/tmp/to_scwrl_249860210.seq -o /var/tmp/from_scwrl_249860210.pdb > /var/tmp/scwrl_249860210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249860210.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 99 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_142612846.pdb -s /var/tmp/to_scwrl_142612846.seq -o /var/tmp/from_scwrl_142612846.pdb > /var/tmp/scwrl_142612846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142612846.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 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1903189699.pdb -s /var/tmp/to_scwrl_1903189699.seq -o /var/tmp/from_scwrl_1903189699.pdb > /var/tmp/scwrl_1903189699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903189699.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1229704172.pdb -s /var/tmp/to_scwrl_1229704172.seq -o /var/tmp/from_scwrl_1229704172.pdb > /var/tmp/scwrl_1229704172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229704172.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_558925196.pdb -s /var/tmp/to_scwrl_558925196.seq -o /var/tmp/from_scwrl_558925196.pdb > /var/tmp/scwrl_558925196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558925196.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1023642657.pdb -s /var/tmp/to_scwrl_1023642657.seq -o /var/tmp/from_scwrl_1023642657.pdb > /var/tmp/scwrl_1023642657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023642657.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_223930521.pdb -s /var/tmp/to_scwrl_223930521.seq -o /var/tmp/from_scwrl_223930521.pdb > /var/tmp/scwrl_223930521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223930521.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_152825058.pdb -s /var/tmp/to_scwrl_152825058.seq -o /var/tmp/from_scwrl_152825058.pdb > /var/tmp/scwrl_152825058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_152825058.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1641525115.pdb -s /var/tmp/to_scwrl_1641525115.seq -o /var/tmp/from_scwrl_1641525115.pdb > /var/tmp/scwrl_1641525115.log Error: can't open any of /var/tmp/from_scwrl_1641525115.pdb or /var/tmp/from_scwrl_1641525115_b.pdb or /var/tmp/from_scwrl_1641525115_a.pdb Error: no new SCWRL conformation added # 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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1202572612.pdb -s /var/tmp/to_scwrl_1202572612.seq -o /var/tmp/from_scwrl_1202572612.pdb > /var/tmp/scwrl_1202572612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1202572612.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1539457840.pdb -s /var/tmp/to_scwrl_1539457840.seq -o /var/tmp/from_scwrl_1539457840.pdb > /var/tmp/scwrl_1539457840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1539457840.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1377781944.pdb -s /var/tmp/to_scwrl_1377781944.seq -o /var/tmp/from_scwrl_1377781944.pdb > /var/tmp/scwrl_1377781944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1377781944.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_533103339.pdb -s /var/tmp/to_scwrl_533103339.seq -o /var/tmp/from_scwrl_533103339.pdb > /var/tmp/scwrl_533103339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_533103339.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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1647847001.pdb -s /var/tmp/to_scwrl_1647847001.seq -o /var/tmp/from_scwrl_1647847001.pdb > /var/tmp/scwrl_1647847001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1647847001.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 97 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_497367248.pdb -s /var/tmp/to_scwrl_497367248.seq -o /var/tmp/from_scwrl_497367248.pdb > /var/tmp/scwrl_497367248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_497367248.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 65 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1586287360.pdb -s /var/tmp/to_scwrl_1586287360.seq -o /var/tmp/from_scwrl_1586287360.pdb > /var/tmp/scwrl_1586287360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586287360.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1133599022.pdb -s /var/tmp/to_scwrl_1133599022.seq -o /var/tmp/from_scwrl_1133599022.pdb > /var/tmp/scwrl_1133599022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1133599022.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 100 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_611483419.pdb -s /var/tmp/to_scwrl_611483419.seq -o /var/tmp/from_scwrl_611483419.pdb > /var/tmp/scwrl_611483419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611483419.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 98 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2062800803.pdb -s /var/tmp/to_scwrl_2062800803.seq -o /var/tmp/from_scwrl_2062800803.pdb > /var/tmp/scwrl_2062800803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2062800803.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 101 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1664466505.pdb -s /var/tmp/to_scwrl_1664466505.seq -o /var/tmp/from_scwrl_1664466505.pdb > /var/tmp/scwrl_1664466505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1664466505.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 T0327 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1585855641.pdb -s /var/tmp/to_scwrl_1585855641.seq -o /var/tmp/from_scwrl_1585855641.pdb > /var/tmp/scwrl_1585855641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1585855641.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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_43384472.pdb -s /var/tmp/to_scwrl_43384472.seq -o /var/tmp/from_scwrl_43384472.pdb > /var/tmp/scwrl_43384472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_43384472.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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_248762489.pdb -s /var/tmp/to_scwrl_248762489.seq -o /var/tmp/from_scwrl_248762489.pdb > /var/tmp/scwrl_248762489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_248762489.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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1980464654.pdb -s /var/tmp/to_scwrl_1980464654.seq -o /var/tmp/from_scwrl_1980464654.pdb > /var/tmp/scwrl_1980464654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1980464654.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 T0327 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 92 ; scwrl -i /var/tmp/to_scwrl_2005735097.pdb -s /var/tmp/to_scwrl_2005735097.seq -o /var/tmp/from_scwrl_2005735097.pdb > /var/tmp/scwrl_2005735097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005735097.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 T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1101974043.pdb -s /var/tmp/to_scwrl_1101974043.seq -o /var/tmp/from_scwrl_1101974043.pdb > /var/tmp/scwrl_1101974043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101974043.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_123981471.pdb -s /var/tmp/to_scwrl_123981471.seq -o /var/tmp/from_scwrl_123981471.pdb > /var/tmp/scwrl_123981471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_123981471.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1190820420.pdb -s /var/tmp/to_scwrl_1190820420.seq -o /var/tmp/from_scwrl_1190820420.pdb > /var/tmp/scwrl_1190820420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1190820420.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1448824669.pdb -s /var/tmp/to_scwrl_1448824669.seq -o /var/tmp/from_scwrl_1448824669.pdb > /var/tmp/scwrl_1448824669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1448824669.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 92 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1550467068.pdb -s /var/tmp/to_scwrl_1550467068.seq -o /var/tmp/from_scwrl_1550467068.pdb > /var/tmp/scwrl_1550467068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550467068.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 92 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_615263275.pdb -s /var/tmp/to_scwrl_615263275.seq -o /var/tmp/from_scwrl_615263275.pdb > /var/tmp/scwrl_615263275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_615263275.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 91 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1698684879.pdb -s /var/tmp/to_scwrl_1698684879.seq -o /var/tmp/from_scwrl_1698684879.pdb > /var/tmp/scwrl_1698684879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1698684879.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 91 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1693079915.pdb -s /var/tmp/to_scwrl_1693079915.seq -o /var/tmp/from_scwrl_1693079915.pdb > /var/tmp/scwrl_1693079915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1693079915.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_370969327.pdb -s /var/tmp/to_scwrl_370969327.seq -o /var/tmp/from_scwrl_370969327.pdb > /var/tmp/scwrl_370969327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_370969327.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_780905406.pdb -s /var/tmp/to_scwrl_780905406.seq -o /var/tmp/from_scwrl_780905406.pdb > /var/tmp/scwrl_780905406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_780905406.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 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_104521464.pdb -s /var/tmp/to_scwrl_104521464.seq -o /var/tmp/from_scwrl_104521464.pdb > /var/tmp/scwrl_104521464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104521464.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1394611984.pdb -s /var/tmp/to_scwrl_1394611984.seq -o /var/tmp/from_scwrl_1394611984.pdb > /var/tmp/scwrl_1394611984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394611984.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1004835927.pdb -s /var/tmp/to_scwrl_1004835927.seq -o /var/tmp/from_scwrl_1004835927.pdb > /var/tmp/scwrl_1004835927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1004835927.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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_257346523.pdb -s /var/tmp/to_scwrl_257346523.seq -o /var/tmp/from_scwrl_257346523.pdb > /var/tmp/scwrl_257346523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257346523.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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_888653453.pdb -s /var/tmp/to_scwrl_888653453.seq -o /var/tmp/from_scwrl_888653453.pdb > /var/tmp/scwrl_888653453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888653453.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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_59924893.pdb -s /var/tmp/to_scwrl_59924893.seq -o /var/tmp/from_scwrl_59924893.pdb > /var/tmp/scwrl_59924893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_59924893.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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1796804363.pdb -s /var/tmp/to_scwrl_1796804363.seq -o /var/tmp/from_scwrl_1796804363.pdb > /var/tmp/scwrl_1796804363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796804363.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_118951751.pdb -s /var/tmp/to_scwrl_118951751.seq -o /var/tmp/from_scwrl_118951751.pdb > /var/tmp/scwrl_118951751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_118951751.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_593028232.pdb -s /var/tmp/to_scwrl_593028232.seq -o /var/tmp/from_scwrl_593028232.pdb > /var/tmp/scwrl_593028232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_593028232.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1297167718.pdb -s /var/tmp/to_scwrl_1297167718.seq -o /var/tmp/from_scwrl_1297167718.pdb > /var/tmp/scwrl_1297167718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1297167718.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_616318999.pdb -s /var/tmp/to_scwrl_616318999.seq -o /var/tmp/from_scwrl_616318999.pdb > /var/tmp/scwrl_616318999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616318999.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 92 ; scwrl -i /var/tmp/to_scwrl_31831946.pdb -s /var/tmp/to_scwrl_31831946.seq -o /var/tmp/from_scwrl_31831946.pdb > /var/tmp/scwrl_31831946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_31831946.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 19 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_283283094.pdb -s /var/tmp/to_scwrl_283283094.seq -o /var/tmp/from_scwrl_283283094.pdb > /var/tmp/scwrl_283283094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283283094.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 T0327 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1227802417.pdb -s /var/tmp/to_scwrl_1227802417.seq -o /var/tmp/from_scwrl_1227802417.pdb > /var/tmp/scwrl_1227802417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1227802417.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2094632749.pdb -s /var/tmp/to_scwrl_2094632749.seq -o /var/tmp/from_scwrl_2094632749.pdb > /var/tmp/scwrl_2094632749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2094632749.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1947749599.pdb -s /var/tmp/to_scwrl_1947749599.seq -o /var/tmp/from_scwrl_1947749599.pdb > /var/tmp/scwrl_1947749599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1947749599.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_666174412.pdb -s /var/tmp/to_scwrl_666174412.seq -o /var/tmp/from_scwrl_666174412.pdb > /var/tmp/scwrl_666174412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_666174412.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2138017221.pdb -s /var/tmp/to_scwrl_2138017221.seq -o /var/tmp/from_scwrl_2138017221.pdb > /var/tmp/scwrl_2138017221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138017221.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 T0327 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_49028442.pdb -s /var/tmp/to_scwrl_49028442.seq -o /var/tmp/from_scwrl_49028442.pdb > /var/tmp/scwrl_49028442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_49028442.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_499155419.pdb -s /var/tmp/to_scwrl_499155419.seq -o /var/tmp/from_scwrl_499155419.pdb > /var/tmp/scwrl_499155419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499155419.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1996268671.pdb -s /var/tmp/to_scwrl_1996268671.seq -o /var/tmp/from_scwrl_1996268671.pdb > /var/tmp/scwrl_1996268671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996268671.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 33.385 sec, elapsed time= 447.659 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 463.009 real_cost = -13.789 shub_TS1 costs 443.216 real_cost = -13.549 panther2_TS1-scwrl costs 790.291 real_cost = 303.657 panther2_TS1 costs 771.818 real_cost = 314.847 nFOLD_TS5-scwrl costs 607.152 real_cost = 109.124 nFOLD_TS5 costs 4814.316 real_cost = 148.931 nFOLD_TS4-scwrl costs 569.621 real_cost = 40.233 nFOLD_TS4 costs 6636.711 real_cost = 87.758 nFOLD_TS3-scwrl costs 548.379 real_cost = 66.510 nFOLD_TS3 costs 3889.281 real_cost = 114.391 nFOLD_TS2-scwrl costs 430.592 real_cost = 18.571 nFOLD_TS2 costs 3854.132 real_cost = 80.879 nFOLD_TS1-scwrl costs 502.509 real_cost = 66.786 nFOLD_TS1 costs 2807.096 real_cost = 129.348 mGen-3D_TS1-scwrl costs 521.827 real_cost = 83.398 mGen-3D_TS1 costs 2841.014 real_cost = 145.203 keasar-server_TS5-scwrl costs 419.711 real_cost = 25.467 keasar-server_TS5 costs 424.412 real_cost = 36.685 keasar-server_TS4-scwrl costs 428.015 real_cost = 17.262 keasar-server_TS4 costs 431.508 real_cost = 25.117 keasar-server_TS3-scwrl costs 406.323 real_cost = 40.183 keasar-server_TS3 costs 403.849 real_cost = 45.148 keasar-server_TS2-scwrl costs 419.462 real_cost = 52.504 keasar-server_TS2 costs 421.341 real_cost = 66.270 keasar-server_TS1-scwrl costs 427.093 real_cost = 11.794 keasar-server_TS1 costs 415.390 real_cost = 56.636 karypis.srv_TS5-scwrl costs 462.057 real_cost = 11.249 karypis.srv_TS5 costs 454.010 real_cost = 9.249 karypis.srv_TS4-scwrl costs 451.646 real_cost = 21.275 karypis.srv_TS4 costs 442.956 real_cost = 19.275 karypis.srv_TS3-scwrl costs 408.606 real_cost = 24.401 karypis.srv_TS3 costs 408.571 real_cost = 24.401 karypis.srv_TS2-scwrl costs 439.154 real_cost = -22.794 karypis.srv_TS2 costs 429.338 real_cost = -24.794 karypis.srv_TS1-scwrl costs 429.486 real_cost = -26.898 karypis.srv_TS1 costs 419.625 real_cost = -28.898 karypis.srv.4_TS5-scwrl costs 568.717 real_cost = 273.198 karypis.srv.4_TS5 costs 568.697 real_cost = 273.201 karypis.srv.4_TS4-scwrl costs 519.955 real_cost = 279.800 karypis.srv.4_TS4 costs 511.838 real_cost = 279.877 karypis.srv.4_TS3-scwrl costs 562.888 real_cost = 269.038 karypis.srv.4_TS3 costs 562.888 real_cost = 269.038 karypis.srv.4_TS2-scwrl costs 567.124 real_cost = 229.751 karypis.srv.4_TS2 costs 567.124 real_cost = 229.751 karypis.srv.4_TS1-scwrl costs 550.514 real_cost = 211.689 karypis.srv.4_TS1 costs 550.514 real_cost = 211.689 karypis.srv.2_TS5-scwrl costs 442.378 real_cost = 64.003 karypis.srv.2_TS5 costs 442.378 real_cost = 64.003 karypis.srv.2_TS4-scwrl costs 428.705 real_cost = 2.478 karypis.srv.2_TS4 costs 428.705 real_cost = 2.478 karypis.srv.2_TS3-scwrl costs 426.375 real_cost = -25.137 karypis.srv.2_TS3 costs 426.375 real_cost = -25.137 karypis.srv.2_TS2-scwrl costs 428.592 real_cost = 5.616 karypis.srv.2_TS2 costs 428.592 real_cost = 5.616 karypis.srv.2_TS1-scwrl costs 414.588 real_cost = -43.413 karypis.srv.2_TS1 costs 414.588 real_cost = -43.413 gtg_AL2-scwrl costs 935.504 real_cost = 444.963 gtg_AL2 costs 22069.134 real_cost = 466.378 gtg_AL1-scwrl costs 960.378 real_cost = 439.371 gtg_AL1 costs 22396.537 real_cost = 453.467 forecast-s_AL5-scwrl costs 703.684 real_cost = 48.419 forecast-s_AL5 costs 30024.818 real_cost = 88.865 forecast-s_AL4-scwrl costs 608.312 real_cost = 165.197 forecast-s_AL4 costs 7009.326 real_cost = 241.049 forecast-s_AL3-scwrl costs 758.715 real_cost = 185.812 forecast-s_AL3 costs 20768.360 real_cost = 248.193 forecast-s_AL2-scwrl costs 719.325 real_cost = 157.456 forecast-s_AL2 costs 5961.039 real_cost = 179.117 forecast-s_AL1-scwrl costs 673.300 real_cost = 85.235 forecast-s_AL1 costs 27713.279 real_cost = 141.362 beautshotbase_TS1-scwrl costs 531.386 real_cost = 0.065 beautshotbase_TS1 costs 505.053 real_cost = 1.033 beautshot_TS1-scwrl costs 433.456 real_cost = -40.484 beautshot_TS1 costs 427.195 real_cost = -29.443 Zhang-Server_TS5-scwrl costs 395.642 real_cost = -80.455 Zhang-Server_TS5 costs 405.244 real_cost = -65.262 Zhang-Server_TS4-scwrl costs 387.861 real_cost = -51.955 Zhang-Server_TS4 costs 398.554 real_cost = -43.009 Zhang-Server_TS3-scwrl costs 413.392 real_cost = -47.075 Zhang-Server_TS3 costs 421.810 real_cost = -34.715 Zhang-Server_TS2-scwrl costs 394.899 real_cost = -83.178 Zhang-Server_TS2 costs 400.141 real_cost = -74.759 Zhang-Server_TS1-scwrl costs 461.087 real_cost = -44.871 Zhang-Server_TS1 costs 484.273 real_cost = -32.552 UNI-EID_sfst_AL5-scwrl costs 816.902 real_cost = 142.685 UNI-EID_sfst_AL5 costs 41261.395 real_cost = 201.601 UNI-EID_sfst_AL4-scwrl costs 744.871 real_cost = 176.280 UNI-EID_sfst_AL4 costs 24191.894 real_cost = 213.457 UNI-EID_sfst_AL3-scwrl costs 744.772 real_cost = 155.315 UNI-EID_sfst_AL3 costs 8343.305 real_cost = 181.583 UNI-EID_sfst_AL2-scwrl costs 804.104 real_cost = 126.476 UNI-EID_sfst_AL2 costs 10540.632 real_cost = 186.010 UNI-EID_sfst_AL1-scwrl costs 725.445 real_cost = 189.942 UNI-EID_sfst_AL1 costs 7547.765 real_cost = 208.296 UNI-EID_expm_TS1-scwrl costs 3040.734 real_cost = 172.335 UNI-EID_bnmx_TS5-scwrl costs 693.175 real_cost = 102.682 UNI-EID_bnmx_TS5 costs 9096.637 real_cost = 156.732 UNI-EID_bnmx_TS4-scwrl costs 703.054 real_cost = 167.985 UNI-EID_bnmx_TS4 costs 23688.487 real_cost = 210.373 UNI-EID_bnmx_TS3-scwrl costs 800.146 real_cost = 123.608 UNI-EID_bnmx_TS3 costs 36394.312 real_cost = 177.367 UNI-EID_bnmx_TS2-scwrl costs 708.729 real_cost = 123.520 UNI-EID_bnmx_TS2 costs 10915.186 real_cost = 181.371 UNI-EID_bnmx_TS1-scwrl costs 735.642 real_cost = 195.193 UNI-EID_bnmx_TS1 costs 7661.086 real_cost = 216.416 SPARKS2_TS5-scwrl costs 412.980 real_cost = 220.925 SPARKS2_TS5 costs 422.800 real_cost = 219.471 SPARKS2_TS4-scwrl costs 413.218 real_cost = 52.988 SPARKS2_TS4 costs 426.335 real_cost = 48.966 SPARKS2_TS3-scwrl costs 427.709 real_cost = -20.618 SPARKS2_TS3 costs 439.231 real_cost = -18.535 SPARKS2_TS2-scwrl costs 400.669 real_cost = -19.291 SPARKS2_TS2 costs 412.382 real_cost = -25.298 SPARKS2_TS1-scwrl costs 414.056 real_cost = -39.437 SPARKS2_TS1 costs 422.315 real_cost = -40.485 SP4_TS5-scwrl costs 454.438 real_cost = 95.095 SP4_TS5 costs 472.626 real_cost = 101.678 SP4_TS4-scwrl costs 453.412 real_cost = 282.459 SP4_TS4 costs 458.966 real_cost = 280.027 SP4_TS3-scwrl costs 437.428 real_cost = 16.106 SP4_TS3 costs 443.850 real_cost = 2.387 SP4_TS2-scwrl costs 408.925 real_cost = -23.102 SP4_TS2 costs 417.135 real_cost = -16.783 SP4_TS1-scwrl costs 419.911 real_cost = -46.413 SP4_TS1 costs 430.734 real_cost = -47.154 SP3_TS5-scwrl costs 393.370 real_cost = -22.443 SP3_TS5 costs 410.070 real_cost = -21.405 SP3_TS4-scwrl costs 411.830 real_cost = 38.072 SP3_TS4 costs 417.417 real_cost = 43.002 SP3_TS3-scwrl costs 423.944 real_cost = -5.695 SP3_TS3 costs 433.548 real_cost = -2.996 SP3_TS2-scwrl costs 445.481 real_cost = 11.034 SP3_TS2 costs 445.198 real_cost = 21.485 SP3_TS1-scwrl costs 414.056 real_cost = -39.437 SP3_TS1 costs 422.315 real_cost = -40.485 SAM_T06_server_TS5-scwrl costs 866.849 real_cost = 215.913 SAM_T06_server_TS5 costs 810.540 real_cost = 180.285 SAM_T06_server_TS4-scwrl costs 669.490 real_cost = 0.698 SAM_T06_server_TS4 costs 597.753 real_cost = 3.128 SAM_T06_server_TS3-scwrl costs 713.647 real_cost = 144.234 SAM_T06_server_TS3 costs 653.513 real_cost = 104.345 SAM_T06_server_TS2-scwrl costs 751.665 real_cost = 132.936 SAM_T06_server_TS2 costs 681.253 real_cost = 126.243 SAM_T06_server_TS1-scwrl costs 362.672 real_cost = 75.182 SAM_T06_server_TS1 costs 357.540 real_cost = 82.037 SAM-T99_AL5-scwrl costs 733.327 real_cost = 51.534 SAM-T99_AL5 costs 8477.563 real_cost = 102.840 SAM-T99_AL4-scwrl costs 664.073 real_cost = -17.580 SAM-T99_AL4 costs 10236.630 real_cost = 52.062 SAM-T99_AL3-scwrl costs 717.480 real_cost = 45.567 SAM-T99_AL3 costs 4390.509 real_cost = 92.550 SAM-T99_AL2-scwrl costs 632.253 real_cost = 142.108 SAM-T99_AL2 costs 31737.394 real_cost = 190.103 SAM-T99_AL1-scwrl costs 668.925 real_cost = 27.278 SAM-T99_AL1 costs 15506.903 real_cost = 82.805 SAM-T02_AL5-scwrl costs 773.572 real_cost = 132.085 SAM-T02_AL5 costs 6270.367 real_cost = 168.547 SAM-T02_AL4-scwrl costs 754.235 real_cost = 99.813 SAM-T02_AL4 costs 43463.465 real_cost = 137.773 SAM-T02_AL3-scwrl costs 757.994 real_cost = 189.200 SAM-T02_AL3 costs 11527.528 real_cost = 219.022 SAM-T02_AL2-scwrl costs 834.668 real_cost = 90.961 SAM-T02_AL2 costs 7953.673 real_cost = 138.415 SAM-T02_AL1-scwrl costs 831.707 real_cost = 168.701 SAM-T02_AL1 costs 10381.545 real_cost = 186.490 ROKKY_TS5-scwrl costs 382.216 real_cost = 62.371 ROKKY_TS5 costs 2384.626 real_cost = 142.429 ROKKY_TS4-scwrl costs 372.582 real_cost = 60.522 ROKKY_TS4 costs 2015.511 real_cost = 146.973 ROKKY_TS3-scwrl costs 370.042 real_cost = 48.597 ROKKY_TS3 costs 2139.745 real_cost = 132.009 ROKKY_TS2-scwrl costs 379.686 real_cost = 33.808 ROKKY_TS2 costs 2529.659 real_cost = 113.962 ROKKY_TS1-scwrl costs 378.612 real_cost = 78.751 ROKKY_TS1 costs 2463.524 real_cost = 164.605 ROBETTA_TS5-scwrl costs 395.259 real_cost = 13.444 ROBETTA_TS5 costs 394.014 real_cost = 23.466 ROBETTA_TS4-scwrl costs 374.058 real_cost = -10.063 ROBETTA_TS4 costs 368.809 real_cost = -9.490 ROBETTA_TS3-scwrl costs 377.671 real_cost = 15.439 ROBETTA_TS3 costs 372.412 real_cost = 15.391 ROBETTA_TS2-scwrl costs 406.848 real_cost = 28.626 ROBETTA_TS2 costs 400.270 real_cost = 34.244 ROBETTA_TS1-scwrl costs 379.839 real_cost = 13.508 ROBETTA_TS1 costs 375.416 real_cost = 15.152 RAPTOR_TS5-scwrl costs 404.758 real_cost = 26.599 RAPTOR_TS5 costs 416.525 real_cost = 23.735 RAPTOR_TS4-scwrl costs 418.766 real_cost = -18.710 RAPTOR_TS4 costs 432.137 real_cost = -2.858 RAPTOR_TS3-scwrl costs 391.548 real_cost = 10.731 RAPTOR_TS3 costs 404.095 real_cost = 3.490 RAPTOR_TS2-scwrl costs 405.831 real_cost = -32.100 RAPTOR_TS2 costs 411.779 real_cost = -22.379 RAPTOR_TS1-scwrl costs 408.763 real_cost = 6.744 RAPTOR_TS1 costs 428.959 real_cost = -1.830 RAPTORESS_TS5-scwrl costs 407.220 real_cost = 36.210 RAPTORESS_TS5 costs 418.328 real_cost = 31.124 RAPTORESS_TS4-scwrl costs 411.809 real_cost = 24.423 RAPTORESS_TS4 costs 416.352 real_cost = 34.568 RAPTORESS_TS3-scwrl costs 397.114 real_cost = 34.011 RAPTORESS_TS3 costs 407.729 real_cost = 27.687 RAPTORESS_TS2-scwrl costs 408.731 real_cost = 10.633 RAPTORESS_TS2 costs 417.581 real_cost = 15.661 RAPTORESS_TS1-scwrl costs 395.803 real_cost = 1.103 RAPTORESS_TS1 costs 410.645 real_cost = 14.828 RAPTOR-ACE_TS5-scwrl costs 427.941 real_cost = -18.054 RAPTOR-ACE_TS5 costs 434.487 real_cost = -6.378 RAPTOR-ACE_TS4-scwrl costs 428.476 real_cost = -54.800 RAPTOR-ACE_TS4 costs 438.811 real_cost = -52.163 RAPTOR-ACE_TS3-scwrl costs 414.056 real_cost = -39.437 RAPTOR-ACE_TS3 costs 422.315 real_cost = -40.485 RAPTOR-ACE_TS2-scwrl costs 382.682 real_cost = -34.879 RAPTOR-ACE_TS2 costs 397.079 real_cost = -30.290 RAPTOR-ACE_TS1-scwrl costs 393.370 real_cost = -22.443 RAPTOR-ACE_TS1 costs 410.070 real_cost = -21.405 Pmodeller6_TS5-scwrl costs 374.058 real_cost = -10.063 Pmodeller6_TS5 costs 368.809 real_cost = -9.490 Pmodeller6_TS4-scwrl costs 500.741 real_cost = -22.805 Pmodeller6_TS4 costs 487.539 real_cost = -24.940 Pmodeller6_TS3-scwrl costs 379.839 real_cost = 13.508 Pmodeller6_TS3 costs 375.416 real_cost = 15.152 Pmodeller6_TS2-scwrl costs 395.259 real_cost = 13.444 Pmodeller6_TS2 costs 394.014 real_cost = 23.466 Pmodeller6_TS1-scwrl costs 446.492 real_cost = -54.902 Pmodeller6_TS1 costs 439.228 real_cost = -56.702 Phyre-2_TS5-scwrl costs 467.885 real_cost = 32.481 Phyre-2_TS5 costs 488.682 real_cost = 26.888 Phyre-2_TS4-scwrl costs 423.115 real_cost = 34.140 Phyre-2_TS4 costs 441.048 real_cost = 36.968 Phyre-2_TS3-scwrl costs 547.947 real_cost = 16.774 Phyre-2_TS3 costs 539.744 real_cost = 3.646 Phyre-2_TS2-scwrl costs 457.966 real_cost = -14.191 Phyre-2_TS2 costs 476.850 real_cost = -18.507 Phyre-2_TS1-scwrl costs 428.124 real_cost = 34.140 Phyre-2_TS1 costs 450.660 real_cost = 36.968 Phyre-1_TS1-scwrl costs 607.787 real_cost = 128.795 Phyre-1_TS1 costs 593.775 real_cost = 124.253 Pcons6_TS5-scwrl costs 540.013 real_cost = 4.198 Pcons6_TS5 costs 519.306 real_cost = -0.202 Pcons6_TS4-scwrl costs 464.315 real_cost = 110.514 Pcons6_TS4 costs 448.595 real_cost = 106.914 Pcons6_TS3-scwrl costs 465.335 real_cost = -55.425 Pcons6_TS3 costs 460.055 real_cost = -57.025 Pcons6_TS2-scwrl costs 481.279 real_cost = -34.371 Pcons6_TS2 costs 466.817 real_cost = -37.571 Pcons6_TS1-scwrl costs 422.378 real_cost = -38.591 Pcons6_TS1 costs 413.946 real_cost = -40.591 PROTINFO_TS5-scwrl costs 417.013 real_cost = -17.488 PROTINFO_TS5 costs 417.735 real_cost = -19.773 PROTINFO_TS4-scwrl costs 416.781 real_cost = 6.138 PROTINFO_TS4 costs 415.964 real_cost = 7.319 PROTINFO_TS3-scwrl costs 402.688 real_cost = -22.806 PROTINFO_TS3 costs 411.842 real_cost = -14.805 PROTINFO_TS2-scwrl costs 396.284 real_cost = -21.481 PROTINFO_TS2 costs 403.446 real_cost = -17.376 PROTINFO_TS1-scwrl costs 401.585 real_cost = -0.668 PROTINFO_TS1 costs 404.174 real_cost = 0.567 PROTINFO-AB_TS5-scwrl costs 395.122 real_cost = -13.559 PROTINFO-AB_TS5 costs 406.541 real_cost = -23.359 PROTINFO-AB_TS4-scwrl costs 397.896 real_cost = -18.502 PROTINFO-AB_TS4 costs 408.554 real_cost = -22.427 PROTINFO-AB_TS3-scwrl costs 392.942 real_cost = -16.840 PROTINFO-AB_TS3 costs 405.300 real_cost = -24.402 PROTINFO-AB_TS2-scwrl costs 395.370 real_cost = -14.614 PROTINFO-AB_TS2 costs 409.359 real_cost = -21.775 PROTINFO-AB_TS1-scwrl costs 395.743 real_cost = -15.967 PROTINFO-AB_TS1 costs 407.538 real_cost = -24.199 POMYSL_TS5-scwrl costs 576.913 real_cost = 254.030 POMYSL_TS5 costs 557.837 real_cost = 261.393 POMYSL_TS4-scwrl costs 488.716 real_cost = 198.607 POMYSL_TS4 costs 497.633 real_cost = 226.267 POMYSL_TS3-scwrl costs 505.400 real_cost = 272.018 POMYSL_TS3 costs 507.219 real_cost = 269.004 POMYSL_TS2-scwrl costs 516.308 real_cost = 174.466 POMYSL_TS2 costs 516.787 real_cost = 196.679 POMYSL_TS1-scwrl costs 477.962 real_cost = 225.091 POMYSL_TS1 costs 483.275 real_cost = 236.907 NN_PUT_lab_TS1-scwrl costs 414.056 real_cost = -39.437 NN_PUT_lab_TS1 costs 422.315 real_cost = -40.485 MetaTasser_TS5-scwrl costs 587.128 real_cost = -34.090 MetaTasser_TS5 costs 590.642 real_cost = -30.694 MetaTasser_TS4-scwrl costs 552.459 real_cost = -18.488 MetaTasser_TS4 costs 585.015 real_cost = -15.703 MetaTasser_TS3-scwrl costs 583.252 real_cost = -44.303 MetaTasser_TS3 costs 578.056 real_cost = -38.677 MetaTasser_TS2-scwrl costs 595.470 real_cost = -18.678 MetaTasser_TS2 costs 631.879 real_cost = -18.492 MetaTasser_TS1-scwrl costs 571.632 real_cost = -40.224 MetaTasser_TS1 costs 574.626 real_cost = -34.522 Ma-OPUS-server_TS5-scwrl costs 433.724 real_cost = 271.575 Ma-OPUS-server_TS5 costs 435.397 real_cost = 275.651 Ma-OPUS-server_TS4-scwrl costs 422.861 real_cost = 98.013 Ma-OPUS-server_TS4 costs 432.150 real_cost = 101.369 Ma-OPUS-server_TS3-scwrl costs 440.644 real_cost = 202.616 Ma-OPUS-server_TS3 costs 455.482 real_cost = 206.451 Ma-OPUS-server_TS2-scwrl costs 394.300 real_cost = 46.778 Ma-OPUS-server_TS2 costs 404.327 real_cost = 64.593 Ma-OPUS-server_TS1-scwrl costs 399.652 real_cost = -54.831 Ma-OPUS-server_TS1 costs 407.018 real_cost = -53.808 Ma-OPUS-server2_TS5-scwrl costs 433.724 real_cost = 271.575 Ma-OPUS-server2_TS5 costs 435.397 real_cost = 275.651 Ma-OPUS-server2_TS4-scwrl costs 409.345 real_cost = 106.081 Ma-OPUS-server2_TS4 costs 415.530 real_cost = 114.347 Ma-OPUS-server2_TS3-scwrl costs 440.644 real_cost = 202.616 Ma-OPUS-server2_TS3 costs 455.482 real_cost = 206.451 Ma-OPUS-server2_TS2-scwrl costs 415.926 real_cost = -44.569 Ma-OPUS-server2_TS2 costs 430.030 real_cost = -35.058 Ma-OPUS-server2_TS1-scwrl costs 396.858 real_cost = -34.743 Ma-OPUS-server2_TS1 costs 411.131 real_cost = -27.563 MIG_FROST_AL1-scwrl costs 486.853 real_cost = 220.332 MIG_FROST_AL1 costs 484.863 real_cost = 220.332 LOOPP_TS5 costs 477.660 real_cost = 211.515 LOOPP_TS4-scwrl costs 559.091 real_cost = 221.517 LOOPP_TS4 costs 545.924 real_cost = 214.299 LOOPP_TS3-scwrl costs 502.065 real_cost = 32.428 LOOPP_TS3 costs 486.732 real_cost = 32.980 LOOPP_TS2-scwrl costs 495.330 real_cost = 28.288 LOOPP_TS2 costs 483.082 real_cost = 39.747 LOOPP_TS1-scwrl costs 510.992 real_cost = 0.044 LOOPP_TS1 costs 499.367 real_cost = -4.737 Huber-Torda-Server_TS5-scwrl costs 534.440 real_cost = 199.755 Huber-Torda-Server_TS5 costs 3093.870 real_cost = 246.250 Huber-Torda-Server_TS4-scwrl costs 710.201 real_cost = 238.605 Huber-Torda-Server_TS4 costs 4634.071 real_cost = 254.286 Huber-Torda-Server_TS3-scwrl costs 529.695 real_cost = 216.697 Huber-Torda-Server_TS3 costs 8571.238 real_cost = 268.670 Huber-Torda-Server_TS2-scwrl costs 605.887 real_cost = 159.787 Huber-Torda-Server_TS2 costs 12119.115 real_cost = 181.802 Huber-Torda-Server_TS1-scwrl costs 567.596 real_cost = 58.773 Huber-Torda-Server_TS1 costs 7120.283 real_cost = 94.939 HHpred3_TS1-scwrl costs 402.702 real_cost = -22.162 HHpred3_TS1 costs 411.487 real_cost = -20.133 HHpred2_TS1-scwrl costs 402.702 real_cost = -22.162 HHpred2_TS1 costs 411.487 real_cost = -20.133 HHpred1_TS1-scwrl costs 401.383 real_cost = -40.029 HHpred1_TS1 costs 419.217 real_cost = -33.337 GeneSilicoMetaServer_TS5-scwrl costs 415.026 real_cost = -35.741 GeneSilicoMetaServer_TS5 costs 427.019 real_cost = -32.427 GeneSilicoMetaServer_TS4-scwrl costs 398.089 real_cost = 107.864 GeneSilicoMetaServer_TS4 costs 408.361 real_cost = 112.862 GeneSilicoMetaServer_TS3-scwrl costs 496.349 real_cost = -10.419 GeneSilicoMetaServer_TS3 costs 486.326 real_cost = -24.969 GeneSilicoMetaServer_TS2-scwrl costs 415.468 real_cost = 12.214 GeneSilicoMetaServer_TS2 costs 427.883 real_cost = 13.045 GeneSilicoMetaServer_TS1-scwrl costs 382.234 real_cost = -58.869 GeneSilicoMetaServer_TS1 costs 392.192 real_cost = -57.061 FUNCTION_TS5-scwrl costs 473.331 real_cost = 14.347 FUNCTION_TS5 costs 484.040 real_cost = 25.256 FUNCTION_TS4-scwrl costs 472.498 real_cost = 38.595 FUNCTION_TS4 costs 478.499 real_cost = 41.225 FUNCTION_TS3-scwrl costs 485.355 real_cost = 23.637 FUNCTION_TS3 costs 497.430 real_cost = 33.144 FUNCTION_TS2-scwrl costs 467.605 real_cost = 96.037 FUNCTION_TS2 costs 480.344 real_cost = 99.294 FUNCTION_TS1-scwrl costs 459.697 real_cost = -0.297 FUNCTION_TS1 costs 461.249 real_cost = -4.294 FUGUE_AL5-scwrl costs 994.159 real_cost = 273.078 FUGUE_AL5 costs 22513.698 real_cost = 273.078 FUGUE_AL4-scwrl costs 574.366 real_cost = 231.067 FUGUE_AL4 costs 169193.486 real_cost = 294.101 FUGUE_AL3-scwrl costs 488.264 real_cost = -37.408 FUGUE_AL3 costs 10896.627 real_cost = 35.477 FUGUE_AL2-scwrl costs 548.008 real_cost = 194.976 FUGUE_AL2 costs 3905.328 real_cost = 262.381 FUGUE_AL1-scwrl costs 491.496 real_cost = 226.610 FUGUE_AL1 costs 7207.608 real_cost = 303.624 FUGMOD_TS5-scwrl costs 422.219 real_cost = 176.530 FUGMOD_TS5 costs 429.073 real_cost = 176.966 FUGMOD_TS4-scwrl costs 449.278 real_cost = 196.782 FUGMOD_TS4 costs 460.753 real_cost = 199.457 FUGMOD_TS3-scwrl costs 417.888 real_cost = -26.354 FUGMOD_TS3 costs 425.856 real_cost = -14.075 FUGMOD_TS2-scwrl costs 475.645 real_cost = 155.584 FUGMOD_TS2 costs 488.907 real_cost = 163.413 FUGMOD_TS1-scwrl costs 459.579 real_cost = 218.163 FUGMOD_TS1 costs 473.808 real_cost = 218.302 FPSOLVER-SERVER_TS5-scwrl costs 455.184 real_cost = 228.763 FPSOLVER-SERVER_TS5 costs 458.636 real_cost = 235.753 FPSOLVER-SERVER_TS4-scwrl costs 451.943 real_cost = 187.614 FPSOLVER-SERVER_TS4 costs 458.355 real_cost = 188.008 FPSOLVER-SERVER_TS3-scwrl costs 458.045 real_cost = 182.484 FPSOLVER-SERVER_TS3 costs 464.233 real_cost = 180.533 FPSOLVER-SERVER_TS2-scwrl costs 456.277 real_cost = 207.038 FPSOLVER-SERVER_TS2 costs 460.522 real_cost = 213.516 FPSOLVER-SERVER_TS1-scwrl costs 447.810 real_cost = 234.600 FPSOLVER-SERVER_TS1 costs 451.027 real_cost = 235.071 FORTE2_AL5-scwrl costs 618.170 real_cost = 288.241 FORTE2_AL5 costs 4339.752 real_cost = 348.953 FORTE2_AL4-scwrl costs 477.658 real_cost = 85.135 FORTE2_AL4 costs 9376.546 real_cost = 175.356 FORTE2_AL3-scwrl costs 577.602 real_cost = 47.463 FORTE2_AL3 costs 10627.911 real_cost = 99.260 FORTE2_AL2-scwrl costs 701.935 real_cost = 127.083 FORTE2_AL2 costs 20522.348 real_cost = 175.345 FORTE2_AL1-scwrl costs 625.700 real_cost = 324.624 FORTE2_AL1 costs 20021.214 real_cost = 402.018 FORTE1_AL5-scwrl costs 618.170 real_cost = 288.241 FORTE1_AL5 costs 4339.752 real_cost = 348.953 FORTE1_AL4-scwrl costs 477.658 real_cost = 85.135 FORTE1_AL4 costs 9376.546 real_cost = 175.356 FORTE1_AL3-scwrl costs 701.935 real_cost = 127.083 FORTE1_AL3 costs 20522.348 real_cost = 175.345 FORTE1_AL2-scwrl costs 625.700 real_cost = 324.624 FORTE1_AL2 costs 20021.214 real_cost = 402.018 FORTE1_AL1-scwrl costs 624.242 real_cost = 104.543 FORTE1_AL1 costs 9919.052 real_cost = 154.691 FOLDpro_TS5-scwrl costs 435.528 real_cost = 12.352 FOLDpro_TS5 costs 440.197 real_cost = 15.463 FOLDpro_TS4-scwrl costs 425.302 real_cost = 166.328 FOLDpro_TS4 costs 432.746 real_cost = 172.424 FOLDpro_TS3-scwrl costs 435.135 real_cost = 133.687 FOLDpro_TS3 costs 449.212 real_cost = 136.150 FOLDpro_TS2-scwrl costs 404.950 real_cost = -64.309 FOLDpro_TS2 costs 416.364 real_cost = -55.326 FOLDpro_TS1-scwrl costs 407.259 real_cost = 0.713 FOLDpro_TS1 costs 421.799 real_cost = 7.299 FAMS_TS5-scwrl costs 506.549 real_cost = 8.922 FAMS_TS5 costs 483.542 real_cost = 17.752 FAMS_TS4-scwrl costs 505.661 real_cost = -34.620 FAMS_TS4 costs 485.370 real_cost = -25.088 FAMS_TS3-scwrl costs 440.876 real_cost = -45.794 FAMS_TS3 costs 439.231 real_cost = -40.265 FAMS_TS2-scwrl costs 429.700 real_cost = -35.069 FAMS_TS2 costs 431.734 real_cost = -41.288 FAMS_TS1-scwrl costs 477.167 real_cost = 29.641 FAMS_TS1 costs 485.059 real_cost = 43.463 FAMSD_TS5-scwrl costs 511.328 real_cost = -1.648 FAMSD_TS5 costs 504.949 real_cost = -7.028 FAMSD_TS4-scwrl costs 545.686 real_cost = 66.653 FAMSD_TS4 costs 523.432 real_cost = 61.768 FAMSD_TS3-scwrl costs 506.549 real_cost = 8.922 FAMSD_TS3 costs 483.542 real_cost = 17.752 FAMSD_TS2-scwrl costs 502.646 real_cost = 54.169 FAMSD_TS2 costs 489.030 real_cost = 59.244 FAMSD_TS1-scwrl costs 462.115 real_cost = 6.273 FAMSD_TS1 costs 461.195 real_cost = 22.972 Distill_TS5-scwrl costs 2085.254 real_cost = 309.104 Distill_TS4-scwrl costs 2086.712 real_cost = 315.566 Distill_TS3-scwrl costs 2086.496 real_cost = 314.921 Distill_TS2-scwrl costs 2092.105 real_cost = 314.987 Distill_TS1-scwrl costs 2087.516 real_cost = 316.174 CaspIta-FOX_TS5-scwrl costs 545.307 real_cost = 111.017 CaspIta-FOX_TS5 costs 549.791 real_cost = 108.606 CaspIta-FOX_TS4-scwrl costs 453.680 real_cost = 4.351 CaspIta-FOX_TS4 costs 435.629 real_cost = -0.265 CaspIta-FOX_TS3-scwrl costs 534.450 real_cost = -35.627 CaspIta-FOX_TS3 costs 520.566 real_cost = -38.197 CaspIta-FOX_TS2-scwrl costs 573.605 real_cost = 17.806 CaspIta-FOX_TS2 costs 548.830 real_cost = 11.388 CaspIta-FOX_TS1-scwrl costs 623.638 real_cost = 55.419 CaspIta-FOX_TS1 costs 548.712 real_cost = 44.984 CIRCLE_TS5-scwrl costs 502.646 real_cost = 54.169 CIRCLE_TS5 costs 489.030 real_cost = 59.244 CIRCLE_TS4-scwrl costs 519.067 real_cost = -18.747 CIRCLE_TS4 costs 498.457 real_cost = -16.400 CIRCLE_TS3-scwrl costs 505.661 real_cost = -34.620 CIRCLE_TS3 costs 485.370 real_cost = -25.088 CIRCLE_TS2-scwrl costs 440.876 real_cost = -45.794 CIRCLE_TS2 costs 439.231 real_cost = -40.265 CIRCLE_TS1-scwrl costs 429.700 real_cost = -35.069 CIRCLE_TS1 costs 431.734 real_cost = -41.288 Bilab-ENABLE_TS5-scwrl costs 385.303 real_cost = -42.109 Bilab-ENABLE_TS5 costs 385.303 real_cost = -42.109 Bilab-ENABLE_TS4-scwrl costs 385.510 real_cost = -42.109 Bilab-ENABLE_TS4 costs 385.510 real_cost = -42.109 Bilab-ENABLE_TS3-scwrl costs 391.098 real_cost = -41.395 Bilab-ENABLE_TS3 costs 391.098 real_cost = -41.395 Bilab-ENABLE_TS2-scwrl costs 473.886 real_cost = 156.621 Bilab-ENABLE_TS2 costs 473.471 real_cost = 158.855 Bilab-ENABLE_TS1-scwrl costs 423.829 real_cost = 182.150 Bilab-ENABLE_TS1 costs 423.829 real_cost = 182.150 BayesHH_TS1-scwrl costs 402.702 real_cost = -22.162 BayesHH_TS1 costs 411.487 real_cost = -20.133 ABIpro_TS5-scwrl costs 456.907 real_cost = 135.667 ABIpro_TS5 costs 456.907 real_cost = 135.667 ABIpro_TS4-scwrl costs 509.281 real_cost = 181.885 ABIpro_TS4 costs 492.905 real_cost = 183.700 ABIpro_TS3-scwrl costs 435.849 real_cost = 123.288 ABIpro_TS3 costs 435.849 real_cost = 123.288 ABIpro_TS2-scwrl costs 424.651 real_cost = 126.875 ABIpro_TS2 costs 428.123 real_cost = 126.984 ABIpro_TS1-scwrl costs 458.335 real_cost = 142.663 ABIpro_TS1 costs 455.449 real_cost = 141.402 3Dpro_TS5-scwrl costs 458.335 real_cost = 142.663 3Dpro_TS5 costs 455.449 real_cost = 141.402 3Dpro_TS4-scwrl costs 394.935 real_cost = 143.523 3Dpro_TS4 costs 405.421 real_cost = 140.246 3Dpro_TS3-scwrl costs 420.726 real_cost = 71.977 3Dpro_TS3 costs 431.258 real_cost = 88.024 3Dpro_TS2-scwrl costs 429.529 real_cost = 142.732 3Dpro_TS2 costs 441.832 real_cost = 148.496 3Dpro_TS1-scwrl costs 433.765 real_cost = -4.236 3Dpro_TS1 costs 436.768 real_cost = -4.050 3D-JIGSAW_TS5-scwrl costs 559.733 real_cost = 75.738 3D-JIGSAW_TS5 costs 538.362 real_cost = 82.204 3D-JIGSAW_TS4-scwrl costs 617.589 real_cost = 246.372 3D-JIGSAW_TS4 costs 592.415 real_cost = 248.256 3D-JIGSAW_TS3-scwrl costs 474.585 real_cost = 81.724 3D-JIGSAW_TS3 costs 487.826 real_cost = 92.068 3D-JIGSAW_TS2-scwrl costs 513.296 real_cost = 113.045 3D-JIGSAW_TS2 costs 499.365 real_cost = 113.770 3D-JIGSAW_TS1-scwrl costs 525.233 real_cost = 115.130 3D-JIGSAW_TS1 costs 496.433 real_cost = 115.084 3D-JIGSAW_RECOM_TS5-scwrl costs 567.027 real_cost = 46.329 3D-JIGSAW_RECOM_TS5 costs 539.348 real_cost = 44.454 3D-JIGSAW_RECOM_TS4-scwrl costs 539.919 real_cost = 91.075 3D-JIGSAW_RECOM_TS4 costs 520.186 real_cost = 89.754 3D-JIGSAW_RECOM_TS3-scwrl costs 505.085 real_cost = 21.567 3D-JIGSAW_RECOM_TS3 costs 489.758 real_cost = 21.008 3D-JIGSAW_RECOM_TS2-scwrl costs 502.860 real_cost = 22.986 3D-JIGSAW_RECOM_TS2 costs 483.925 real_cost = 20.568 3D-JIGSAW_RECOM_TS1-scwrl costs 556.294 real_cost = 82.685 3D-JIGSAW_RECOM_TS1 costs 533.781 real_cost = 85.320 3D-JIGSAW_POPULUS_TS5-scwrl costs 477.063 real_cost = 115.585 3D-JIGSAW_POPULUS_TS5 costs 467.105 real_cost = 113.585 3D-JIGSAW_POPULUS_TS4-scwrl costs 473.494 real_cost = 37.485 3D-JIGSAW_POPULUS_TS4 costs 459.870 real_cost = 35.485 3D-JIGSAW_POPULUS_TS3-scwrl costs 470.679 real_cost = 36.478 3D-JIGSAW_POPULUS_TS3 costs 455.958 real_cost = 34.478 3D-JIGSAW_POPULUS_TS2-scwrl costs 499.545 real_cost = 83.695 3D-JIGSAW_POPULUS_TS2 costs 483.738 real_cost = 81.695 3D-JIGSAW_POPULUS_TS1-scwrl costs 473.296 real_cost = 36.674 3D-JIGSAW_POPULUS_TS1 costs 458.774 real_cost = 34.674 dimer//dimer3-1tbxA-dimer6 costs 351.414 real_cost = 53.033 dimer//dimer2-1tbxA-dimer6 costs 352.012 real_cost = 53.020 dimer//dimer1-1tbxA-dimer6 costs 351.382 real_cost = 53.022 dimer//dimer-1ub9A-dimer11 costs 352.853 real_cost = 57.427 dimer//dimer-1tbxA-try1-opt2 costs 331.431 real_cost = 7.584 dimer//dimer-1tbxA-try1-opt2-proteinshop costs 367.006 real_cost = 48.102 dimer//try9-opt2.unpack costs 349.570 real_cost = 58.652 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 365.598 real_cost = 50.165 dimer//try9-opt2.unpack.gromacs0 costs 363.229 real_cost = 60.188 dimer//try9-opt2.repack-nonPC costs 353.381 real_cost = 52.980 dimer//try9-opt2 costs 349.570 real_cost = 58.652 dimer//try9-opt2.gromacs0 costs 395.907 real_cost = 59.214 dimer//try9-opt1 costs 350.374 real_cost = 58.441 dimer//try9-opt1-scwrl costs 353.940 real_cost = 55.194 dimer//try8-opt2.unpack costs 350.386 real_cost = 54.759 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 364.167 real_cost = 51.732 dimer//try8-opt2.unpack.gromacs0 costs 363.753 real_cost = 54.701 dimer//try8-opt2.repack-nonPC costs 353.907 real_cost = 53.031 dimer//try8-opt2 costs 350.386 real_cost = 54.759 dimer//try8-opt2.gromacs0 costs 407.694 real_cost = 55.446 dimer//try8-opt1 costs 352.626 real_cost = 53.732 dimer//try8-opt1-scwrl costs 354.184 real_cost = 51.887 dimer//try7-opt2.unpack costs 356.435 real_cost = 57.065 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 370.903 real_cost = 52.805 dimer//try7-opt2.unpack.gromacs0 costs 369.372 real_cost = 55.026 dimer//try7-opt2.repack-nonPC costs 359.470 real_cost = 55.565 dimer//try7-opt2 costs 356.435 real_cost = 57.065 dimer//try7-opt2.gromacs0 costs 399.264 real_cost = 63.239 dimer//try7-opt1 costs 360.379 real_cost = 55.321 dimer//try7-opt1-scwrl costs 360.957 real_cost = 52.166 dimer//try6-opt2.unpack costs 351.388 real_cost = 53.020 dimer//try6-opt2.unpack.gromacs0.repack-nonPC costs 367.501 real_cost = 49.371 dimer//try6-opt2.unpack.gromacs0 costs 365.359 real_cost = 51.225 dimer//try6-opt2.repack-nonPC costs 355.908 real_cost = 51.913 dimer//try6-opt2 costs 351.388 real_cost = 53.020 dimer//try6-opt2.gromacs0 costs 396.456 real_cost = 52.573 dimer//try6-opt1 costs 355.402 real_cost = 53.995 dimer//try6-opt1-scwrl costs 358.491 real_cost = 52.961 dimer//try5-opt2.unpack costs 336.824 real_cost = 44.034 dimer//try5-opt2.unpack.gromacs0.repack-nonPC costs 360.326 real_cost = 44.913 dimer//try5-opt2.unpack.gromacs0 costs 345.512 real_cost = 48.212 dimer//try5-opt2.repack-nonPC costs 340.658 real_cost = 46.537 dimer//try5-opt2 costs 336.824 real_cost = 44.034 dimer//try5-opt2.gromacs0 costs 367.387 real_cost = 48.056 dimer//try5-opt1 costs 342.464 real_cost = 43.165 dimer//try5-opt1-scwrl costs 343.356 real_cost = 42.966 dimer//try4-opt2.unpack costs 356.592 real_cost = 52.412 dimer//try4-opt2.unpack.gromacs0.repack-nonPC costs 369.774 real_cost = 48.685 dimer//try4-opt2.unpack.gromacs0 costs 366.473 real_cost = 48.859 dimer//try4-opt2.repack-nonPC costs 359.445 real_cost = 52.982 dimer//try4-opt2 costs 356.592 real_cost = 52.412 dimer//try4-opt2.gromacs0 costs 412.025 real_cost = 50.641 dimer//try4-opt1 costs 359.812 real_cost = 54.937 dimer//try4-opt1-scwrl costs 361.830 real_cost = 55.211 dimer//try3-opt2.unpack costs 344.308 real_cost = 31.793 dimer//try3-opt2.unpack.gromacs0.repack-nonPC costs 358.452 real_cost = 28.350 dimer//try3-opt2.unpack.gromacs0 costs 356.275 real_cost = 27.080 dimer//try3-opt2.repack-nonPC costs 348.297 real_cost = 31.911 dimer//try3-opt2 costs 344.308 real_cost = 31.793 dimer//try3-opt2.gromacs0 costs 406.137 real_cost = 26.492 dimer//try3-opt1 costs 349.749 real_cost = 32.107 dimer//try3-opt1-scwrl costs 350.819 real_cost = 33.667 dimer//try2-opt2.unpack costs 382.670 real_cost = 108.489 dimer//try2-opt2.unpack.gromacs0.repack-nonPC costs 391.901 real_cost = 108.587 dimer//try2-opt2.unpack.gromacs0 costs 390.930 real_cost = 105.561 dimer//try2-opt2.repack-nonPC costs 384.846 real_cost = 107.818 dimer//try2-opt2 costs 382.670 real_cost = 108.489 dimer//try2-opt2.gromacs0 costs 435.413 real_cost = 106.932 dimer//try2-opt1 costs 387.943 real_cost = 111.414 dimer//try2-opt1-scwrl costs 388.564 real_cost = 113.379 dimer//try15-opt2.unpack costs 354.714 real_cost = 55.191 dimer//try15-opt2.unpack.gromacs0.repack-nonPC costs 363.873 real_cost = 51.587 dimer//try15-opt2.unpack.gromacs0 costs 363.185 real_cost = 54.357 dimer//try15-opt2.repack-nonPC costs 358.512 real_cost = 53.349 dimer//try15-opt2 costs 354.714 real_cost = 55.191 dimer//try15-opt1 costs 357.357 real_cost = 53.046 dimer//try15-opt1-scwrl costs 360.133 real_cost = 53.505 dimer//try14-opt2.unpack costs 351.454 real_cost = 58.647 dimer//try14-opt2.unpack.gromacs0.repack-nonPC costs 364.743 real_cost = 55.174 dimer//try14-opt2.unpack.gromacs0 costs 361.515 real_cost = 57.945 dimer//try14-opt2.repack-nonPC costs 355.978 real_cost = 53.955 dimer//try14-opt2 costs 351.454 real_cost = 58.647 dimer//try14-opt2.gromacs0 costs 387.174 real_cost = 60.377 dimer//try14-opt1 costs 351.361 real_cost = 57.312 dimer//try14-opt1-scwrl costs 354.125 real_cost = 54.515 dimer//try13-opt2.unpack costs 348.551 real_cost = 47.256 dimer//try13-opt2.unpack.gromacs0.repack-nonPC costs 361.393 real_cost = 42.665 dimer//try13-opt2.unpack.gromacs0 costs 359.821 real_cost = 45.052 dimer//try13-opt2.repack-nonPC costs 352.214 real_cost = 43.426 dimer//try13-opt2 costs 348.551 real_cost = 47.256 dimer//try13-opt2.gromacs0 costs 400.376 real_cost = 46.765 dimer//try13-opt1 costs 349.490 real_cost = 48.484 dimer//try13-opt1-scwrl costs 354.366 real_cost = 45.212 dimer//try12-opt2.unpack costs 350.236 real_cost = 45.800 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 360.465 real_cost = 44.779 dimer//try12-opt2.unpack.gromacs0 costs 359.709 real_cost = 45.813 dimer//try12-opt2.repack-nonPC costs 352.433 real_cost = 42.600 dimer//try12-opt2 costs 350.236 real_cost = 45.800 dimer//try12-opt2.gromacs0 costs 400.071 real_cost = 48.539 dimer//try12-opt1 costs 353.518 real_cost = 47.641 dimer//try12-opt1-scwrl costs 356.975 real_cost = 45.625 dimer//try11-opt2.unpack costs 352.675 real_cost = 57.408 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 364.691 real_cost = 50.946 dimer//try11-opt2.unpack.gromacs0 costs 363.113 real_cost = 56.838 dimer//try11-opt2.repack-nonPC costs 356.377 real_cost = 51.071 dimer//try11-opt2 costs 352.675 real_cost = 57.408 dimer//try11-opt2.gromacs0 costs 389.021 real_cost = 57.878 dimer//try11-opt1 costs 355.201 real_cost = 58.303 dimer//try11-opt1-scwrl costs 357.435 real_cost = 52.636 dimer//try10-opt2.unpack costs 349.462 real_cost = 58.801 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 366.521 real_cost = 52.397 dimer//try10-opt2.unpack.gromacs0 costs 364.004 real_cost = 62.541 dimer//try10-opt2.repack-nonPC costs 353.685 real_cost = 50.928 dimer//try10-opt2 costs 349.462 real_cost = 58.801 dimer//try10-opt2.gromacs0 costs 396.291 real_cost = 63.805 dimer//try10-opt1 costs 349.764 real_cost = 57.445 dimer//try10-opt1-scwrl costs 354.120 real_cost = 51.426 dimer//try1-opt2.unpack costs 368.063 real_cost = 101.712 dimer//try1-opt2.unpack.gromacs0.repack-nonPC costs 380.573 real_cost = 104.282 dimer//try1-opt2.unpack.gromacs0 costs 376.226 real_cost = 103.975 dimer//try1-opt2.repack-nonPC costs 372.744 real_cost = 104.425 dimer//try1-opt2 costs 368.063 real_cost = 101.712 dimer//try1-opt2.gromacs0 costs 375.130 real_cost = 104.879 dimer//try1-opt1 costs 378.244 real_cost = 110.099 dimer//try1-opt1-scwrl costs 381.067 real_cost = 104.712 T0327.try4-opt2.repack-nonPC.pdb.gz costs 339.253 real_cost = 61.428 T0327.try4-opt2.pdb.gz costs 335.283 real_cost = 65.025 T0327.try4-opt2.gromacs0.pdb.gz costs 345.559 real_cost = 65.339 T0327.try4-opt1.pdb.gz costs 346.714 real_cost = 59.449 T0327.try4-opt1-scwrl.pdb.gz costs 348.430 real_cost = 60.119 T0327.try3-opt2.repack-nonPC.pdb.gz costs 353.092 real_cost = 108.137 T0327.try3-opt2.pdb.gz costs 348.082 real_cost = 105.781 T0327.try3-opt2.gromacs0.pdb.gz costs 356.426 real_cost = 103.997 T0327.try3-opt1.pdb.gz costs 355.204 real_cost = 105.442 T0327.try3-opt1-scwrl.pdb.gz costs 359.243 real_cost = 103.319 T0327.try2-opt2.repack-nonPC.pdb.gz costs 337.810 real_cost = 7.259 T0327.try2-opt2.pdb.gz costs 334.360 real_cost = 11.757 T0327.try2-opt2.gromacs0.pdb.gz costs 348.035 real_cost = 12.843 T0327.try2-opt1.pdb.gz costs 344.001 real_cost = 11.884 T0327.try2-opt1-scwrl.pdb.gz costs 348.732 real_cost = 11.790 T0327.try1-opt2.repack-nonPC.pdb.gz costs 334.519 real_cost = 10.662 T0327.try1-opt2.pdb.gz costs 331.404 real_cost = 7.608 T0327.try1-opt2.gromacs0.pdb.gz costs 345.007 real_cost = 6.862 T0327.try1-opt2-proteinshop.pdb.gz costs 367.005 real_cost = 48.432 T0327.try1-opt2-proteinshop-2.pdb.gz costs 374.618 real_cost = 48.432 T0327.try1-opt1.pdb.gz costs 338.914 real_cost = 8.678 T0327.try1-opt1-scwrl.pdb.gz costs 340.433 real_cost = 9.112 ../model5.ts-submitted costs 615.971 real_cost = 24.160 ../model4.ts-submitted costs 623.245 real_cost = 21.498 ../model3.ts-submitted costs 335.298 real_cost = 65.015 ../model2.ts-submitted costs 349.201 real_cost = 47.267 ../model1.ts-submitted costs 351.437 real_cost = 58.674 align5 costs 1712.372 real_cost = 97.831 align4 costs 1922.437 real_cost = 25.141 align3 costs 4290.430 real_cost = 37.338 align2 costs 1764.848 real_cost = 30.986 align1 costs 1823.708 real_cost = 25.493 T0327.try1-opt2.pdb costs 331.404 real_cost = 7.608 model5-scwrl costs 665.544 real_cost = 37.582 model5.ts-submitted costs 615.971 real_cost = 24.160 model4-scwrl costs 694.391 real_cost = 40.075 model4.ts-submitted costs 623.245 real_cost = 21.498 model3-scwrl costs 339.089 real_cost = 63.016 model3.ts-submitted costs 335.298 real_cost = 65.015 model2-scwrl costs 353.498 real_cost = 45.879 model2.ts-submitted costs 349.201 real_cost = 47.267 model1-scwrl costs 354.594 real_cost = 56.308 model1.ts-submitted costs 351.437 real_cost = 58.674 2hgcA costs 630.474 real_cost = -841.000 # command:CPU_time= 176.486 sec, elapsed time= 842.344 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/T0327'