make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0351' 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/T0351.} ;\ 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/T0351/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hg7A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174107057 # 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= 6.09807 sec, elapsed time= 14.8227 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= 6.17406 sec, elapsed time= 15.0903 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0351 numbered 1 through 117 Created new target T0351 from T0351.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0351 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 T0351.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 T0351.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 T0351.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= 8.84366 sec, elapsed time= 22.147 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 104 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -39.5833 # GDT_score(maxd=8,maxw=2.9)= -38.0959 # GDT_score(maxd=8,maxw=3.2)= -37.0244 # GDT_score(maxd=8,maxw=3.5)= -36.0096 # GDT_score(maxd=10,maxw=3.8)= -39.2487 # GDT_score(maxd=10,maxw=4)= -38.5318 # GDT_score(maxd=10,maxw=4.2)= -37.7292 # GDT_score(maxd=12,maxw=4.3)= -41.3118 # GDT_score(maxd=12,maxw=4.5)= -40.4118 # GDT_score(maxd=12,maxw=4.7)= -39.4731 # GDT_score(maxd=14,maxw=5.2)= -40.7328 # GDT_score(maxd=14,maxw=5.5)= -39.3876 # 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 2.376 -0.175 -0.536 1.00 0.00 ATOM 2 CA MET A 1 2.308 0.453 0.774 1.00 0.00 ATOM 3 CB MET A 1 1.551 -0.382 1.808 1.00 0.00 ATOM 4 CG MET A 1 1.519 0.244 3.225 1.00 0.00 ATOM 5 SD MET A 1 0.637 -0.748 4.448 1.00 0.00 ATOM 6 CE MET A 1 1.605 -2.265 4.464 1.00 0.00 ATOM 7 O MET A 1 3.909 1.791 1.958 1.00 0.00 ATOM 8 C MET A 1 3.673 0.710 1.397 1.00 0.00 ATOM 9 N ILE A 2 4.552 -0.262 1.327 1.00 0.00 ATOM 10 CA ILE A 2 5.904 -0.092 1.908 1.00 0.00 ATOM 11 CB ILE A 2 6.690 -1.444 1.810 1.00 0.00 ATOM 12 CG1 ILE A 2 6.074 -2.486 2.749 1.00 0.00 ATOM 13 CG2 ILE A 2 8.169 -1.222 2.125 1.00 0.00 ATOM 14 CD1 ILE A 2 6.116 -2.096 4.215 1.00 0.00 ATOM 15 O ILE A 2 7.317 1.850 1.817 1.00 0.00 ATOM 16 C ILE A 2 6.701 0.992 1.182 1.00 0.00 ATOM 17 N LEU A 3 6.636 1.002 -0.143 1.00 0.00 ATOM 18 CA LEU A 3 7.385 2.004 -0.897 1.00 0.00 ATOM 19 CB LEU A 3 7.421 1.734 -2.366 1.00 0.00 ATOM 20 CG LEU A 3 8.223 0.495 -2.780 1.00 0.00 ATOM 21 CD1 LEU A 3 8.048 0.229 -4.272 1.00 0.00 ATOM 22 CD2 LEU A 3 9.692 0.705 -2.442 1.00 0.00 ATOM 23 O LEU A 3 7.575 4.396 -0.540 1.00 0.00 ATOM 24 C LEU A 3 6.830 3.411 -0.663 1.00 0.00 ATOM 25 N TYR A 4 5.508 3.507 -0.567 1.00 0.00 ATOM 26 CA TYR A 4 4.878 4.797 -0.350 1.00 0.00 ATOM 27 CB TYR A 4 3.366 4.737 -0.503 1.00 0.00 ATOM 28 CG TYR A 4 2.875 4.276 -1.864 1.00 0.00 ATOM 29 CD1 TYR A 4 3.678 4.385 -3.000 1.00 0.00 ATOM 30 CD2 TYR A 4 1.598 3.737 -2.012 1.00 0.00 ATOM 31 CE1 TYR A 4 3.217 3.968 -4.251 1.00 0.00 ATOM 32 CE2 TYR A 4 1.129 3.321 -3.256 1.00 0.00 ATOM 33 CZ TYR A 4 1.939 3.435 -4.368 1.00 0.00 ATOM 34 OH TYR A 4 1.469 3.010 -5.592 1.00 0.00 ATOM 35 O TYR A 4 5.543 6.510 1.192 1.00 0.00 ATOM 36 C TYR A 4 5.246 5.329 1.027 1.00 0.00 ATOM 37 N ASP A 5 5.235 4.446 2.032 1.00 0.00 ATOM 38 CA ASP A 5 5.562 4.840 3.392 1.00 0.00 ATOM 39 CB ASP A 5 5.296 3.707 4.359 1.00 0.00 ATOM 40 CG ASP A 5 3.831 3.308 4.378 1.00 0.00 ATOM 41 OD1 ASP A 5 2.975 4.171 4.083 1.00 0.00 ATOM 42 OD2 ASP A 5 3.531 2.138 4.693 1.00 0.00 ATOM 43 O ASP A 5 7.382 6.175 4.201 1.00 0.00 ATOM 44 C ASP A 5 7.030 5.243 3.477 1.00 0.00 ATOM 45 N ALA A 6 7.887 4.555 2.722 1.00 0.00 ATOM 46 CA ALA A 6 9.311 4.876 2.726 1.00 0.00 ATOM 47 CB ALA A 6 10.044 3.834 1.890 1.00 0.00 ATOM 48 O ALA A 6 10.344 7.033 2.667 1.00 0.00 ATOM 49 C ALA A 6 9.545 6.260 2.146 1.00 0.00 ATOM 50 N ILE A 7 8.852 6.566 1.051 1.00 0.00 ATOM 51 CA ILE A 7 8.994 7.868 0.412 1.00 0.00 ATOM 52 CB ILE A 7 8.263 7.865 -0.936 1.00 0.00 ATOM 53 CG1 ILE A 7 8.982 6.959 -1.944 1.00 0.00 ATOM 54 CG2 ILE A 7 8.080 9.269 -1.488 1.00 0.00 ATOM 55 CD1 ILE A 7 8.204 6.740 -3.222 1.00 0.00 ATOM 56 O ILE A 7 9.150 10.026 1.460 1.00 0.00 ATOM 57 C ILE A 7 8.520 8.975 1.354 1.00 0.00 ATOM 58 N MET A 8 7.417 8.723 2.050 1.00 0.00 ATOM 59 CA MET A 8 6.869 9.701 2.981 1.00 0.00 ATOM 60 CB MET A 8 5.513 9.293 3.517 1.00 0.00 ATOM 61 CG MET A 8 5.602 8.155 4.518 1.00 0.00 ATOM 62 SD MET A 8 4.023 7.493 5.079 1.00 0.00 ATOM 63 CE MET A 8 3.487 8.824 6.018 1.00 0.00 ATOM 64 O MET A 8 8.003 11.048 4.611 1.00 0.00 ATOM 65 C MET A 8 7.810 9.922 4.155 1.00 0.00 ATOM 66 N TYR A 9 8.398 8.839 4.640 1.00 0.00 ATOM 67 CA TYR A 9 9.314 8.926 5.767 1.00 0.00 ATOM 68 CB TYR A 9 9.683 7.518 6.227 1.00 0.00 ATOM 69 CG TYR A 9 10.704 7.415 7.343 1.00 0.00 ATOM 70 CD1 TYR A 9 10.304 7.412 8.669 1.00 0.00 ATOM 71 CD2 TYR A 9 12.063 7.297 7.066 1.00 0.00 ATOM 72 CE1 TYR A 9 11.216 7.278 9.688 1.00 0.00 ATOM 73 CE2 TYR A 9 12.997 7.186 8.095 1.00 0.00 ATOM 74 CZ TYR A 9 12.567 7.163 9.396 1.00 0.00 ATOM 75 OH TYR A 9 13.485 7.049 10.422 1.00 0.00 ATOM 76 O TYR A 9 10.920 10.707 5.991 1.00 0.00 ATOM 77 C TYR A 9 10.517 9.749 5.310 1.00 0.00 ATOM 78 N LYS A 10 11.060 9.446 4.151 1.00 0.00 ATOM 79 CA LYS A 10 12.275 10.084 3.657 1.00 0.00 ATOM 80 CB LYS A 10 12.798 9.259 2.436 1.00 0.00 ATOM 81 CG LYS A 10 13.327 7.885 2.800 1.00 0.00 ATOM 82 CD LYS A 10 13.751 7.110 1.557 1.00 0.00 ATOM 83 CE LYS A 10 14.241 5.716 1.919 1.00 0.00 ATOM 84 NZ LYS A 10 14.533 4.897 0.706 1.00 0.00 ATOM 85 O LYS A 10 13.006 12.365 3.430 1.00 0.00 ATOM 86 C LYS A 10 12.107 11.545 3.236 1.00 0.00 ATOM 87 N TYR A 11 10.947 11.863 2.662 1.00 0.00 ATOM 88 CA TYR A 11 10.673 13.203 2.160 1.00 0.00 ATOM 89 CB TYR A 11 10.508 13.165 0.641 1.00 0.00 ATOM 90 CG TYR A 11 11.673 12.522 -0.075 1.00 0.00 ATOM 91 CD1 TYR A 11 11.713 11.143 -0.290 1.00 0.00 ATOM 92 CD2 TYR A 11 12.744 13.290 -0.527 1.00 0.00 ATOM 93 CE1 TYR A 11 12.791 10.545 -0.944 1.00 0.00 ATOM 94 CE2 TYR A 11 13.825 12.704 -1.177 1.00 0.00 ATOM 95 CZ TYR A 11 13.842 11.334 -1.384 1.00 0.00 ATOM 96 OH TYR A 11 14.906 10.759 -2.039 1.00 0.00 ATOM 97 O TYR A 11 8.311 13.608 2.256 1.00 0.00 ATOM 98 C TYR A 11 9.404 13.754 2.796 1.00 0.00 ATOM 99 N PRO A 12 9.598 14.412 4.008 1.00 0.00 ATOM 100 CA PRO A 12 8.471 14.980 4.749 1.00 0.00 ATOM 101 CB PRO A 12 9.159 15.802 5.834 1.00 0.00 ATOM 102 CG PRO A 12 10.392 15.011 6.101 1.00 0.00 ATOM 103 CD PRO A 12 10.867 14.675 4.712 1.00 0.00 ATOM 104 O PRO A 12 6.303 15.644 3.967 1.00 0.00 ATOM 105 C PRO A 12 7.520 15.793 3.867 1.00 0.00 ATOM 106 N ASN A 13 8.060 16.651 3.003 1.00 0.00 ATOM 107 CA ASN A 13 7.193 17.448 2.140 1.00 0.00 ATOM 108 CB ASN A 13 7.968 18.607 1.498 1.00 0.00 ATOM 109 CG ASN A 13 8.277 19.718 2.486 1.00 0.00 ATOM 110 ND2 ASN A 13 9.429 20.359 2.316 1.00 0.00 ATOM 111 OD1 ASN A 13 7.480 20.004 3.384 1.00 0.00 ATOM 112 O ASN A 13 5.375 16.930 0.656 1.00 0.00 ATOM 113 C ASN A 13 6.494 16.619 1.061 1.00 0.00 ATOM 114 N ALA A 14 7.154 15.548 0.570 1.00 0.00 ATOM 115 CA ALA A 14 6.505 14.654 -0.379 1.00 0.00 ATOM 116 CB ALA A 14 7.516 13.610 -0.873 1.00 0.00 ATOM 117 O ALA A 14 4.268 13.711 -0.441 1.00 0.00 ATOM 118 C ALA A 14 5.305 13.919 0.221 1.00 0.00 ATOM 119 N VAL A 15 5.458 13.552 1.485 1.00 0.00 ATOM 120 CA VAL A 15 4.377 12.824 2.192 1.00 0.00 ATOM 121 CB VAL A 15 4.738 12.378 3.571 1.00 0.00 ATOM 122 CG1 VAL A 15 4.795 13.492 4.595 1.00 0.00 ATOM 123 CG2 VAL A 15 3.782 11.272 4.003 1.00 0.00 ATOM 124 O VAL A 15 2.001 13.156 1.964 1.00 0.00 ATOM 125 C VAL A 15 3.107 13.663 2.253 1.00 0.00 ATOM 126 N SER A 16 3.231 15.005 2.617 1.00 0.00 ATOM 127 CA SER A 16 2.044 15.824 2.727 1.00 0.00 ATOM 128 CB SER A 16 2.288 17.192 3.333 1.00 0.00 ATOM 129 OG SER A 16 2.627 17.106 4.691 1.00 0.00 ATOM 130 O SER A 16 0.090 15.816 1.338 1.00 0.00 ATOM 131 C SER A 16 1.308 15.980 1.399 1.00 0.00 ATOM 132 N ARG A 17 2.040 16.251 0.335 1.00 0.00 ATOM 133 CA ARG A 17 1.393 16.400 -0.955 1.00 0.00 ATOM 134 CB ARG A 17 2.449 16.987 -1.948 1.00 0.00 ATOM 135 CG ARG A 17 2.064 17.130 -3.369 1.00 0.00 ATOM 136 CD ARG A 17 3.163 17.693 -4.218 1.00 0.00 ATOM 137 NE ARG A 17 4.384 16.928 -4.177 1.00 0.00 ATOM 138 CZ ARG A 17 4.627 15.849 -4.890 1.00 0.00 ATOM 139 NH1 ARG A 17 3.772 15.386 -5.770 1.00 0.00 ATOM 140 NH2 ARG A 17 5.772 15.206 -4.715 1.00 0.00 ATOM 141 O ARG A 17 -0.289 15.038 -1.997 1.00 0.00 ATOM 142 C ARG A 17 0.809 15.074 -1.445 1.00 0.00 ATOM 143 N LYS A 18 1.547 13.978 -1.246 1.00 0.00 ATOM 144 CA LYS A 18 1.065 12.688 -1.685 1.00 0.00 ATOM 145 CB LYS A 18 2.193 11.660 -1.602 1.00 0.00 ATOM 146 CG LYS A 18 3.259 11.893 -2.685 1.00 0.00 ATOM 147 CD LYS A 18 4.378 10.925 -2.614 1.00 0.00 ATOM 148 CE LYS A 18 5.377 11.092 -3.715 1.00 0.00 ATOM 149 NZ LYS A 18 6.639 10.263 -3.452 1.00 0.00 ATOM 150 O LYS A 18 -1.092 11.661 -1.421 1.00 0.00 ATOM 151 C LYS A 18 -0.133 12.202 -0.872 1.00 0.00 ATOM 152 N ASP A 19 -0.100 12.399 0.434 1.00 0.00 ATOM 153 CA ASP A 19 -1.233 12.027 1.261 1.00 0.00 ATOM 154 CB ASP A 19 -0.874 12.139 2.744 1.00 0.00 ATOM 155 CG ASP A 19 -2.009 11.702 3.652 1.00 0.00 ATOM 156 OD1 ASP A 19 -2.284 10.485 3.714 1.00 0.00 ATOM 157 OD2 ASP A 19 -2.620 12.577 4.300 1.00 0.00 ATOM 158 O ASP A 19 -2.217 14.142 0.765 1.00 0.00 ATOM 159 C ASP A 19 -2.407 12.954 0.978 1.00 0.00 ATOM 160 N PHE A 20 -3.611 12.404 0.961 1.00 0.00 ATOM 161 CA PHE A 20 -4.815 13.218 0.886 1.00 0.00 ATOM 162 CB PHE A 20 -5.455 13.100 -0.498 1.00 0.00 ATOM 163 CG PHE A 20 -4.578 13.591 -1.615 1.00 0.00 ATOM 164 CD1 PHE A 20 -3.753 12.716 -2.300 1.00 0.00 ATOM 165 CD2 PHE A 20 -4.578 14.926 -1.979 1.00 0.00 ATOM 166 CE1 PHE A 20 -2.945 13.167 -3.328 1.00 0.00 ATOM 167 CE2 PHE A 20 -3.770 15.377 -3.005 1.00 0.00 ATOM 168 CZ PHE A 20 -2.957 14.504 -3.678 1.00 0.00 ATOM 169 O PHE A 20 -5.878 11.610 2.300 1.00 0.00 ATOM 170 C PHE A 20 -5.835 12.773 1.915 1.00 0.00 ATOM 171 N GLU A 21 -6.652 13.719 2.357 1.00 0.00 ATOM 172 CA GLU A 21 -7.683 13.466 3.344 1.00 0.00 ATOM 173 CB GLU A 21 -7.346 14.166 4.661 1.00 0.00 ATOM 174 CG GLU A 21 -6.103 13.629 5.351 1.00 0.00 ATOM 175 CD GLU A 21 -5.819 14.323 6.668 1.00 0.00 ATOM 176 OE1 GLU A 21 -6.610 15.210 7.052 1.00 0.00 ATOM 177 OE2 GLU A 21 -4.809 13.980 7.316 1.00 0.00 ATOM 178 O GLU A 21 -9.056 15.081 2.242 1.00 0.00 ATOM 179 C GLU A 21 -8.992 13.979 2.793 1.00 0.00 ATOM 180 N LEU A 22 -10.073 13.174 2.912 1.00 0.00 ATOM 181 CA LEU A 22 -11.424 13.659 2.716 1.00 0.00 ATOM 182 CB LEU A 22 -12.253 12.576 2.021 1.00 0.00 ATOM 183 CG LEU A 22 -13.726 12.905 1.771 1.00 0.00 ATOM 184 CD1 LEU A 22 -13.860 14.061 0.791 1.00 0.00 ATOM 185 CD2 LEU A 22 -14.455 11.703 1.190 1.00 0.00 ATOM 186 O LEU A 22 -12.139 13.109 4.930 1.00 0.00 ATOM 187 C LEU A 22 -12.041 13.979 4.080 1.00 0.00 ATOM 188 N ARG A 23 -12.441 15.227 4.269 1.00 0.00 ATOM 189 CA ARG A 23 -13.070 15.669 5.502 1.00 0.00 ATOM 190 CB ARG A 23 -12.357 16.910 6.042 1.00 0.00 ATOM 191 CG ARG A 23 -10.926 16.659 6.487 1.00 0.00 ATOM 192 CD ARG A 23 -10.310 17.908 7.099 1.00 0.00 ATOM 193 NE ARG A 23 -8.939 17.679 7.545 1.00 0.00 ATOM 194 CZ ARG A 23 -8.136 18.631 8.013 1.00 0.00 ATOM 195 NH1 ARG A 23 -6.903 18.329 8.396 1.00 0.00 ATOM 196 NH2 ARG A 23 -8.570 19.880 8.098 1.00 0.00 ATOM 197 O ARG A 23 -14.908 16.389 4.151 1.00 0.00 ATOM 198 C ARG A 23 -14.535 16.002 5.261 1.00 0.00 ATOM 199 N ASN A 24 -15.365 15.821 6.289 1.00 0.00 ATOM 200 CA ASN A 24 -16.753 16.282 6.249 1.00 0.00 ATOM 201 CB ASN A 24 -17.608 15.503 7.250 1.00 0.00 ATOM 202 CG ASN A 24 -17.239 15.801 8.690 1.00 0.00 ATOM 203 ND2 ASN A 24 -17.809 15.041 9.616 1.00 0.00 ATOM 204 OD1 ASN A 24 -16.449 16.704 8.962 1.00 0.00 ATOM 205 O ASN A 24 -15.783 18.388 6.851 1.00 0.00 ATOM 206 C ASN A 24 -16.814 17.766 6.571 1.00 0.00 ATOM 207 N ASP A 25 -17.958 18.355 6.522 1.00 0.00 ATOM 208 CA ASP A 25 -18.161 19.776 6.801 1.00 0.00 ATOM 209 CB ASP A 25 -19.634 20.179 6.715 1.00 0.00 ATOM 210 CG ASP A 25 -20.153 20.185 5.290 1.00 0.00 ATOM 211 OD1 ASP A 25 -19.327 20.106 4.355 1.00 0.00 ATOM 212 OD2 ASP A 25 -21.385 20.266 5.107 1.00 0.00 ATOM 213 O ASP A 25 -17.259 21.331 8.388 1.00 0.00 ATOM 214 C ASP A 25 -17.652 20.191 8.191 1.00 0.00 ATOM 215 N GLY A 26 -17.647 19.263 9.138 1.00 0.00 ATOM 216 CA GLY A 26 -17.153 19.552 10.486 1.00 0.00 ATOM 217 O GLY A 26 -15.122 19.464 11.766 1.00 0.00 ATOM 218 C GLY A 26 -15.647 19.419 10.653 1.00 0.00 ATOM 219 N ASN A 27 -14.949 19.242 9.532 1.00 0.00 ATOM 220 CA ASN A 27 -13.495 19.062 9.535 1.00 0.00 ATOM 221 CB ASN A 27 -12.912 20.090 10.507 1.00 0.00 ATOM 222 CG ASN A 27 -13.081 21.516 10.017 1.00 0.00 ATOM 223 ND2 ASN A 27 -13.192 22.452 10.953 1.00 0.00 ATOM 224 OD1 ASN A 27 -13.111 21.769 8.812 1.00 0.00 ATOM 225 O ASN A 27 -11.779 17.552 10.206 1.00 0.00 ATOM 226 C ASN A 27 -12.973 17.713 9.995 1.00 0.00 ATOM 227 N GLY A 28 -13.863 16.740 10.142 1.00 0.00 ATOM 228 CA GLY A 28 -13.482 15.402 10.574 1.00 0.00 ATOM 229 O GLY A 28 -13.869 14.511 8.394 1.00 0.00 ATOM 230 C GLY A 28 -13.105 14.571 9.374 1.00 0.00 ATOM 231 N SER A 29 -11.818 14.010 9.450 1.00 0.00 ATOM 232 CA SER A 29 -11.343 13.152 8.354 1.00 0.00 ATOM 233 CB SER A 29 -9.876 12.772 8.562 1.00 0.00 ATOM 234 OG SER A 29 -9.447 11.841 7.583 1.00 0.00 ATOM 235 O SER A 29 -12.124 11.106 9.296 1.00 0.00 ATOM 236 C SER A 29 -12.168 11.872 8.340 1.00 0.00 ATOM 237 N TYR A 30 -12.876 11.585 7.244 1.00 0.00 ATOM 238 CA TYR A 30 -13.646 10.342 7.118 1.00 0.00 ATOM 239 CB TYR A 30 -15.106 10.784 6.700 1.00 0.00 ATOM 240 CG TYR A 30 -15.995 9.621 6.338 1.00 0.00 ATOM 241 CD1 TYR A 30 -16.718 8.942 7.318 1.00 0.00 ATOM 242 CD2 TYR A 30 -16.056 9.145 5.024 1.00 0.00 ATOM 243 CE1 TYR A 30 -17.470 7.823 6.993 1.00 0.00 ATOM 244 CE2 TYR A 30 -16.830 8.048 4.702 1.00 0.00 ATOM 245 CZ TYR A 30 -17.543 7.399 5.685 1.00 0.00 ATOM 246 OH TYR A 30 -18.290 6.290 5.332 1.00 0.00 ATOM 247 O TYR A 30 -12.977 8.127 6.531 1.00 0.00 ATOM 248 C TYR A 30 -12.843 9.326 6.317 1.00 0.00 ATOM 249 N ILE A 31 -12.009 9.827 5.434 1.00 0.00 ATOM 250 CA ILE A 31 -11.249 8.945 4.568 1.00 0.00 ATOM 251 CB ILE A 31 -11.987 8.665 3.224 1.00 0.00 ATOM 252 CG1 ILE A 31 -11.215 7.607 2.428 1.00 0.00 ATOM 253 CG2 ILE A 31 -12.101 9.954 2.413 1.00 0.00 ATOM 254 CD1 ILE A 31 -11.945 7.098 1.190 1.00 0.00 ATOM 255 O ILE A 31 -9.744 10.770 4.198 1.00 0.00 ATOM 256 C ILE A 31 -9.894 9.547 4.231 1.00 0.00 ATOM 257 N GLU A 32 -8.907 8.691 3.985 1.00 0.00 ATOM 258 CA GLU A 32 -7.598 9.162 3.555 1.00 0.00 ATOM 259 CB GLU A 32 -6.661 9.346 4.752 1.00 0.00 ATOM 260 CG GLU A 32 -7.119 10.407 5.740 1.00 0.00 ATOM 261 CD GLU A 32 -6.174 10.551 6.918 1.00 0.00 ATOM 262 OE1 GLU A 32 -5.166 9.816 6.965 1.00 0.00 ATOM 263 OE2 GLU A 32 -6.443 11.400 7.793 1.00 0.00 ATOM 264 O GLU A 32 -7.249 6.964 2.630 1.00 0.00 ATOM 265 C GLU A 32 -6.912 8.154 2.635 1.00 0.00 ATOM 266 N LYS A 33 -5.955 8.644 1.852 1.00 0.00 ATOM 267 CA LYS A 33 -5.221 7.822 0.910 1.00 0.00 ATOM 268 CB LYS A 33 -6.144 7.444 -0.250 1.00 0.00 ATOM 269 CG LYS A 33 -6.680 8.636 -1.029 1.00 0.00 ATOM 270 CD LYS A 33 -7.760 8.212 -2.011 1.00 0.00 ATOM 271 CE LYS A 33 -8.300 9.403 -2.786 1.00 0.00 ATOM 272 NZ LYS A 33 -9.361 9.003 -3.751 1.00 0.00 ATOM 273 O LYS A 33 -3.609 9.578 0.906 1.00 0.00 ATOM 274 C LYS A 33 -4.035 8.574 0.342 1.00 0.00 ATOM 275 N TRP A 34 -3.527 8.078 -0.775 1.00 0.00 ATOM 276 CA TRP A 34 -2.369 8.690 -1.434 1.00 0.00 ATOM 277 CB TRP A 34 -1.186 7.736 -1.324 1.00 0.00 ATOM 278 CG TRP A 34 -0.764 7.470 0.091 1.00 0.00 ATOM 279 CD1 TRP A 34 -1.324 6.588 0.969 1.00 0.00 ATOM 280 CD2 TRP A 34 0.338 8.067 0.773 1.00 0.00 ATOM 281 CE2 TRP A 34 0.368 7.537 2.077 1.00 0.00 ATOM 282 CE3 TRP A 34 1.284 9.048 0.423 1.00 0.00 ATOM 283 NE1 TRP A 34 -0.648 6.621 2.171 1.00 0.00 ATOM 284 CZ2 TRP A 34 1.326 7.921 3.021 1.00 0.00 ATOM 285 CZ3 TRP A 34 2.235 9.434 1.375 1.00 0.00 ATOM 286 CH2 TRP A 34 2.249 8.851 2.640 1.00 0.00 ATOM 287 O TRP A 34 -3.277 8.011 -3.561 1.00 0.00 ATOM 288 C TRP A 34 -2.617 8.826 -2.925 1.00 0.00 ATOM 289 N ASN A 35 -2.103 9.921 -3.500 1.00 0.00 ATOM 290 CA ASN A 35 -2.143 10.106 -4.942 1.00 0.00 ATOM 291 CB ASN A 35 -1.351 11.228 -5.433 1.00 0.00 ATOM 292 CG ASN A 35 -1.724 11.594 -6.856 1.00 0.00 ATOM 293 ND2 ASN A 35 -3.008 11.865 -7.079 1.00 0.00 ATOM 294 OD1 ASN A 35 -0.871 11.631 -7.749 1.00 0.00 ATOM 295 O ASN A 35 -1.876 8.414 -6.618 1.00 0.00 ATOM 296 C ASN A 35 -1.438 8.918 -5.586 1.00 0.00 ATOM 297 N LEU A 36 -0.276 8.442 -4.986 1.00 0.00 ATOM 298 CA LEU A 36 0.463 7.303 -5.523 1.00 0.00 ATOM 299 CB LEU A 36 1.801 7.153 -4.783 1.00 0.00 ATOM 300 CG LEU A 36 2.811 8.295 -4.980 1.00 0.00 ATOM 301 CD1 LEU A 36 4.060 8.048 -4.133 1.00 0.00 ATOM 302 CD2 LEU A 36 3.171 8.406 -6.463 1.00 0.00 ATOM 303 O LEU A 36 -0.054 5.071 -6.086 1.00 0.00 ATOM 304 C LEU A 36 -0.369 6.050 -5.381 1.00 0.00 ATOM 305 N ARG A 37 -1.361 6.021 -4.579 1.00 0.00 ATOM 306 CA ARG A 37 -2.143 4.803 -4.435 1.00 0.00 ATOM 307 CB ARG A 37 -1.879 3.803 -3.588 1.00 0.00 ATOM 308 CG ARG A 37 -3.116 3.046 -3.085 1.00 0.00 ATOM 309 CD ARG A 37 -2.738 1.732 -2.411 1.00 0.00 ATOM 310 NE ARG A 37 -3.910 0.976 -1.971 1.00 0.00 ATOM 311 CZ ARG A 37 -4.584 1.209 -0.848 1.00 0.00 ATOM 312 NH1 ARG A 37 -4.213 2.184 -0.028 1.00 0.00 ATOM 313 NH2 ARG A 37 -5.642 0.464 -0.544 1.00 0.00 ATOM 314 O ARG A 37 -4.205 5.975 -4.215 1.00 0.00 ATOM 315 C ARG A 37 -3.577 5.116 -4.817 1.00 0.00 ATOM 316 N ALA A 38 -4.078 4.445 -5.845 1.00 0.00 ATOM 317 CA ALA A 38 -5.453 4.611 -6.230 1.00 0.00 ATOM 318 CB ALA A 38 -5.739 3.764 -7.462 1.00 0.00 ATOM 319 O ALA A 38 -6.119 3.204 -4.395 1.00 0.00 ATOM 320 C ALA A 38 -6.427 4.140 -5.129 1.00 0.00 ATOM 321 N PRO A 39 -7.559 4.783 -5.064 1.00 0.00 ATOM 322 CA PRO A 39 -8.536 4.406 -4.028 1.00 0.00 ATOM 323 CB PRO A 39 -9.755 5.271 -4.371 1.00 0.00 ATOM 324 CG PRO A 39 -9.169 6.464 -5.030 1.00 0.00 ATOM 325 CD PRO A 39 -8.017 5.939 -5.855 1.00 0.00 ATOM 326 O PRO A 39 -8.886 2.312 -2.867 1.00 0.00 ATOM 327 C PRO A 39 -8.842 2.915 -3.979 1.00 0.00 ATOM 328 N LEU A 40 -9.017 2.314 -5.158 1.00 0.00 ATOM 329 CA LEU A 40 -9.291 0.880 -5.272 1.00 0.00 ATOM 330 CB LEU A 40 -10.350 0.616 -6.343 1.00 0.00 ATOM 331 CG LEU A 40 -10.667 -0.865 -6.582 1.00 0.00 ATOM 332 CD1 LEU A 40 -11.286 -1.469 -5.314 1.00 0.00 ATOM 333 CD2 LEU A 40 -11.623 -1.010 -7.752 1.00 0.00 ATOM 334 O LEU A 40 -7.489 0.284 -6.730 1.00 0.00 ATOM 335 C LEU A 40 -8.067 0.071 -5.666 1.00 0.00 ATOM 336 N PRO A 41 -7.628 -0.890 -4.829 1.00 0.00 ATOM 337 CA PRO A 41 -6.457 -1.705 -5.157 1.00 0.00 ATOM 338 CB PRO A 41 -6.252 -2.542 -3.891 1.00 0.00 ATOM 339 CG PRO A 41 -6.863 -1.731 -2.811 1.00 0.00 ATOM 340 CD PRO A 41 -8.095 -1.158 -3.454 1.00 0.00 ATOM 341 O PRO A 41 -7.817 -3.125 -6.551 1.00 0.00 ATOM 342 C PRO A 41 -6.722 -2.583 -6.378 1.00 0.00 ATOM 343 N THR A 42 -5.712 -2.740 -7.189 1.00 0.00 ATOM 344 CA THR A 42 -5.809 -3.585 -8.371 1.00 0.00 ATOM 345 CB THR A 42 -4.967 -3.058 -9.548 1.00 0.00 ATOM 346 CG2 THR A 42 -5.367 -1.631 -9.892 1.00 0.00 ATOM 347 OG1 THR A 42 -3.578 -3.078 -9.193 1.00 0.00 ATOM 348 O THR A 42 -4.799 -5.275 -6.964 1.00 0.00 ATOM 349 C THR A 42 -5.327 -5.016 -8.044 1.00 0.00 ATOM 350 N GLN A 43 -5.538 -5.935 -8.978 1.00 0.00 ATOM 351 CA GLN A 43 -5.263 -7.360 -8.756 1.00 0.00 ATOM 352 CB GLN A 43 -5.737 -8.174 -9.948 1.00 0.00 ATOM 353 CG GLN A 43 -7.261 -8.118 -10.046 1.00 0.00 ATOM 354 CD GLN A 43 -7.727 -8.772 -11.332 1.00 0.00 ATOM 355 OE1 GLN A 43 -7.208 -8.539 -12.434 1.00 0.00 ATOM 356 NE2 GLN A 43 -8.768 -9.589 -11.170 1.00 0.00 ATOM 357 O GLN A 43 -3.420 -8.390 -7.607 1.00 0.00 ATOM 358 C GLN A 43 -3.774 -7.617 -8.496 1.00 0.00 ATOM 359 N ALA A 44 -2.936 -6.977 -9.254 1.00 0.00 ATOM 360 CA ALA A 44 -1.484 -7.151 -9.069 1.00 0.00 ATOM 361 CB ALA A 44 -0.686 -6.345 -10.069 1.00 0.00 ATOM 362 O ALA A 44 -0.186 -7.383 -7.039 1.00 0.00 ATOM 363 C ALA A 44 -1.016 -6.704 -7.676 1.00 0.00 ATOM 364 N GLU A 45 -1.563 -5.584 -7.156 1.00 0.00 ATOM 365 CA GLU A 45 -1.219 -5.137 -5.801 1.00 0.00 ATOM 366 CB GLU A 45 -1.747 -3.688 -5.637 1.00 0.00 ATOM 367 CG GLU A 45 -0.992 -2.707 -6.508 1.00 0.00 ATOM 368 CD GLU A 45 -1.732 -1.413 -6.743 1.00 0.00 ATOM 369 OE1 GLU A 45 -2.879 -1.272 -6.261 1.00 0.00 ATOM 370 OE2 GLU A 45 -1.155 -0.536 -7.421 1.00 0.00 ATOM 371 O GLU A 45 -1.088 -6.345 -3.754 1.00 0.00 ATOM 372 C GLU A 45 -1.772 -6.063 -4.738 1.00 0.00 ATOM 373 N LEU A 46 -2.989 -6.543 -4.943 1.00 0.00 ATOM 374 CA LEU A 46 -3.574 -7.453 -3.980 1.00 0.00 ATOM 375 CB LEU A 46 -4.992 -7.825 -4.422 1.00 0.00 ATOM 376 CG LEU A 46 -6.049 -6.725 -4.303 1.00 0.00 ATOM 377 CD1 LEU A 46 -7.355 -7.164 -4.948 1.00 0.00 ATOM 378 CD2 LEU A 46 -6.327 -6.403 -2.842 1.00 0.00 ATOM 379 O LEU A 46 -2.475 -9.236 -2.791 1.00 0.00 ATOM 380 C LEU A 46 -2.755 -8.745 -3.885 1.00 0.00 ATOM 381 N GLU A 47 -2.387 -9.280 -5.049 1.00 0.00 ATOM 382 CA GLU A 47 -1.556 -10.466 -5.159 1.00 0.00 ATOM 383 CB GLU A 47 -1.285 -10.795 -6.628 1.00 0.00 ATOM 384 CG GLU A 47 -0.458 -12.053 -6.841 1.00 0.00 ATOM 385 CD GLU A 47 -0.239 -12.366 -8.309 1.00 0.00 ATOM 386 OE1 GLU A 47 -0.747 -11.606 -9.160 1.00 0.00 ATOM 387 OE2 GLU A 47 0.439 -13.371 -8.606 1.00 0.00 ATOM 388 O GLU A 47 0.253 -11.213 -3.765 1.00 0.00 ATOM 389 C GLU A 47 -0.192 -10.309 -4.488 1.00 0.00 ATOM 390 N THR A 48 0.474 -9.181 -4.740 1.00 0.00 ATOM 391 CA THR A 48 1.744 -8.873 -4.073 1.00 0.00 ATOM 392 CB THR A 48 2.266 -7.481 -4.474 1.00 0.00 ATOM 393 CG2 THR A 48 3.555 -7.161 -3.732 1.00 0.00 ATOM 394 OG1 THR A 48 2.523 -7.450 -5.883 1.00 0.00 ATOM 395 O THR A 48 2.376 -9.454 -1.825 1.00 0.00 ATOM 396 C THR A 48 1.583 -8.851 -2.557 1.00 0.00 ATOM 397 N TRP A 49 0.535 -8.163 -2.073 1.00 0.00 ATOM 398 CA TRP A 49 0.279 -8.071 -0.641 1.00 0.00 ATOM 399 CB TRP A 49 -0.847 -7.067 -0.390 1.00 0.00 ATOM 400 CG TRP A 49 -0.480 -5.656 -0.733 1.00 0.00 ATOM 401 CD1 TRP A 49 0.758 -5.189 -1.069 1.00 0.00 ATOM 402 CD2 TRP A 49 -1.359 -4.525 -0.773 1.00 0.00 ATOM 403 CE2 TRP A 49 -0.586 -3.407 -1.142 1.00 0.00 ATOM 404 CE3 TRP A 49 -2.726 -4.349 -0.535 1.00 0.00 ATOM 405 NE1 TRP A 49 0.705 -3.839 -1.318 1.00 0.00 ATOM 406 CZ2 TRP A 49 -1.132 -2.131 -1.278 1.00 0.00 ATOM 407 CZ3 TRP A 49 -3.262 -3.082 -0.671 1.00 0.00 ATOM 408 CH2 TRP A 49 -2.471 -1.988 -1.038 1.00 0.00 ATOM 409 O TRP A 49 0.217 -9.687 1.159 1.00 0.00 ATOM 410 C TRP A 49 -0.093 -9.436 -0.009 1.00 0.00 ATOM 411 N TRP A 50 -0.694 -10.289 -0.786 1.00 0.00 ATOM 412 CA TRP A 50 -1.060 -11.626 -0.288 1.00 0.00 ATOM 413 CB TRP A 50 -1.830 -12.375 -1.377 1.00 0.00 ATOM 414 CG TRP A 50 -2.213 -13.770 -0.989 1.00 0.00 ATOM 415 CD1 TRP A 50 -3.322 -14.152 -0.290 1.00 0.00 ATOM 416 CD2 TRP A 50 -1.487 -14.971 -1.279 1.00 0.00 ATOM 417 CE2 TRP A 50 -2.215 -16.043 -0.725 1.00 0.00 ATOM 418 CE3 TRP A 50 -0.293 -15.245 -1.952 1.00 0.00 ATOM 419 NE1 TRP A 50 -3.332 -15.517 -0.126 1.00 0.00 ATOM 420 CZ2 TRP A 50 -1.787 -17.366 -0.822 1.00 0.00 ATOM 421 CZ3 TRP A 50 0.128 -16.559 -2.046 1.00 0.00 ATOM 422 CH2 TRP A 50 -0.616 -17.603 -1.487 1.00 0.00 ATOM 423 O TRP A 50 0.387 -12.928 1.116 1.00 0.00 ATOM 424 C TRP A 50 0.236 -12.382 0.028 1.00 0.00 ATOM 425 N GLU A 51 1.135 -12.376 -0.897 1.00 0.00 ATOM 426 CA GLU A 51 2.415 -13.067 -0.696 1.00 0.00 ATOM 427 CB GLU A 51 3.270 -13.009 -1.962 1.00 0.00 ATOM 428 CG GLU A 51 2.748 -13.863 -3.106 1.00 0.00 ATOM 429 CD GLU A 51 3.548 -13.684 -4.380 1.00 0.00 ATOM 430 OE1 GLU A 51 4.469 -12.839 -4.391 1.00 0.00 ATOM 431 OE2 GLU A 51 3.258 -14.389 -5.369 1.00 0.00 ATOM 432 O GLU A 51 3.825 -13.169 1.238 1.00 0.00 ATOM 433 C GLU A 51 3.225 -12.437 0.449 1.00 0.00 ATOM 434 N GLU A 52 3.206 -11.108 0.565 1.00 0.00 ATOM 435 CA GLU A 52 3.855 -10.423 1.708 1.00 0.00 ATOM 436 CB GLU A 52 3.729 -8.905 1.566 1.00 0.00 ATOM 437 CG GLU A 52 4.570 -8.312 0.449 1.00 0.00 ATOM 438 CD GLU A 52 4.324 -6.829 0.258 1.00 0.00 ATOM 439 OE1 GLU A 52 3.444 -6.278 0.952 1.00 0.00 ATOM 440 OE2 GLU A 52 5.015 -6.216 -0.584 1.00 0.00 ATOM 441 O GLU A 52 3.916 -11.076 4.022 1.00 0.00 ATOM 442 C GLU A 52 3.218 -10.833 3.039 1.00 0.00 ATOM 443 N LEU A 53 1.894 -10.940 3.077 1.00 0.00 ATOM 444 CA LEU A 53 1.227 -11.343 4.309 1.00 0.00 ATOM 445 CB LEU A 53 -0.282 -11.218 4.155 1.00 0.00 ATOM 446 CG LEU A 53 -0.787 -9.816 3.792 1.00 0.00 ATOM 447 CD1 LEU A 53 -2.314 -9.837 3.722 1.00 0.00 ATOM 448 CD2 LEU A 53 -0.309 -8.777 4.822 1.00 0.00 ATOM 449 O LEU A 53 1.707 -13.072 5.910 1.00 0.00 ATOM 450 C LEU A 53 1.549 -12.766 4.720 1.00 0.00 ATOM 451 N GLN A 54 1.652 -13.666 3.729 1.00 0.00 ATOM 452 CA GLN A 54 1.961 -15.053 4.007 1.00 0.00 ATOM 453 CB GLN A 54 1.958 -15.894 2.818 1.00 0.00 ATOM 454 CG GLN A 54 1.960 -17.372 3.208 1.00 0.00 ATOM 455 CD GLN A 54 0.641 -17.845 3.855 1.00 0.00 ATOM 456 OE1 GLN A 54 0.614 -18.917 4.377 1.00 0.00 ATOM 457 NE2 GLN A 54 -0.421 -17.041 3.816 1.00 0.00 ATOM 458 O GLN A 54 3.592 -15.817 5.607 1.00 0.00 ATOM 459 C GLN A 54 3.380 -15.135 4.603 1.00 0.00 ATOM 460 N LYS A 55 4.336 -14.426 4.007 1.00 0.00 ATOM 461 CA LYS A 55 5.724 -14.428 4.483 1.00 0.00 ATOM 462 CB LYS A 55 6.607 -13.610 3.535 1.00 0.00 ATOM 463 CG LYS A 55 6.775 -14.232 2.159 1.00 0.00 ATOM 464 CD LYS A 55 7.673 -13.395 1.259 1.00 0.00 ATOM 465 CE LYS A 55 7.843 -14.063 -0.102 1.00 0.00 ATOM 466 NZ LYS A 55 8.646 -13.240 -1.054 1.00 0.00 ATOM 467 O LYS A 55 6.804 -14.098 6.594 1.00 0.00 ATOM 468 C LYS A 55 5.863 -13.799 5.862 1.00 0.00 ATOM 469 N ASN A 56 4.957 -12.877 6.233 1.00 0.00 ATOM 470 CA ASN A 56 5.001 -12.213 7.528 1.00 0.00 ATOM 471 CB ASN A 56 4.959 -10.622 7.228 1.00 0.00 ATOM 472 CG ASN A 56 5.090 -9.807 8.507 1.00 0.00 ATOM 473 ND2 ASN A 56 4.047 -9.051 8.834 1.00 0.00 ATOM 474 OD1 ASN A 56 6.117 -9.884 9.180 1.00 0.00 ATOM 475 O ASN A 56 4.164 -12.666 9.720 1.00 0.00 ATOM 476 C ASN A 56 4.162 -13.004 8.544 1.00 0.00 ATOM 477 N PRO A 57 3.404 -14.303 8.336 1.00 0.00 ATOM 478 CA PRO A 57 2.516 -15.087 9.183 1.00 0.00 ATOM 479 CB PRO A 57 3.264 -16.259 9.627 1.00 0.00 ATOM 480 CG PRO A 57 4.717 -15.812 9.572 1.00 0.00 ATOM 481 CD PRO A 57 4.756 -15.041 8.269 1.00 0.00 ATOM 482 O PRO A 57 1.188 -14.304 11.008 1.00 0.00 ATOM 483 C PRO A 57 1.481 -14.180 9.840 1.00 0.00 ATOM 484 N PRO A 58 0.890 -13.281 8.916 1.00 0.00 ATOM 485 CA PRO A 58 -0.165 -12.383 9.371 1.00 0.00 ATOM 486 CB PRO A 58 0.545 -11.000 9.271 1.00 0.00 ATOM 487 CG PRO A 58 1.081 -11.154 7.890 1.00 0.00 ATOM 488 CD PRO A 58 1.649 -12.540 7.863 1.00 0.00 ATOM 489 O PRO A 58 -1.768 -12.345 7.589 1.00 0.00 ATOM 490 C PRO A 58 -1.423 -12.849 8.649 1.00 0.00 ATOM 491 N TYR A 59 -2.082 -13.838 9.245 1.00 0.00 ATOM 492 CA TYR A 59 -3.224 -14.506 8.633 1.00 0.00 ATOM 493 CB TYR A 59 -3.404 -15.875 9.356 1.00 0.00 ATOM 494 CG TYR A 59 -2.123 -16.693 9.331 1.00 0.00 ATOM 495 CD1 TYR A 59 -1.220 -16.654 10.394 1.00 0.00 ATOM 496 CD2 TYR A 59 -1.778 -17.424 8.175 1.00 0.00 ATOM 497 CE1 TYR A 59 0.022 -17.306 10.327 1.00 0.00 ATOM 498 CE2 TYR A 59 -0.559 -18.079 8.098 1.00 0.00 ATOM 499 CZ TYR A 59 0.329 -18.009 9.168 1.00 0.00 ATOM 500 OH TYR A 59 1.554 -18.661 9.113 1.00 0.00 ATOM 501 O TYR A 59 -5.310 -13.795 7.690 1.00 0.00 ATOM 502 C TYR A 59 -4.477 -13.639 8.584 1.00 0.00 ATOM 503 N GLU A 60 -4.676 -12.747 9.552 1.00 0.00 ATOM 504 CA GLU A 60 -5.837 -11.861 9.570 1.00 0.00 ATOM 505 CB GLU A 60 -5.966 -11.060 10.867 1.00 0.00 ATOM 506 CG GLU A 60 -6.329 -11.900 12.081 1.00 0.00 ATOM 507 CD GLU A 60 -6.325 -11.096 13.366 1.00 0.00 ATOM 508 OE1 GLU A 60 -5.970 -9.899 13.320 1.00 0.00 ATOM 509 OE2 GLU A 60 -6.680 -11.662 14.421 1.00 0.00 ATOM 510 O GLU A 60 -6.742 -10.694 7.672 1.00 0.00 ATOM 511 C GLU A 60 -5.754 -10.886 8.388 1.00 0.00 ATOM 512 N PRO A 61 -4.466 -10.348 8.073 1.00 0.00 ATOM 513 CA PRO A 61 -4.229 -9.489 6.910 1.00 0.00 ATOM 514 CB PRO A 61 -2.730 -9.215 6.979 1.00 0.00 ATOM 515 CG PRO A 61 -2.446 -9.256 8.458 1.00 0.00 ATOM 516 CD PRO A 61 -3.236 -10.470 8.896 1.00 0.00 ATOM 517 O PRO A 61 -5.179 -9.548 4.715 1.00 0.00 ATOM 518 C PRO A 61 -4.636 -10.188 5.619 1.00 0.00 ATOM 519 N PRO A 62 -4.390 -11.497 5.545 1.00 0.00 ATOM 520 CA PRO A 62 -4.762 -12.286 4.386 1.00 0.00 ATOM 521 CB PRO A 62 -4.252 -13.658 4.613 1.00 0.00 ATOM 522 CG PRO A 62 -2.998 -13.430 5.302 1.00 0.00 ATOM 523 CD PRO A 62 -3.276 -12.282 6.257 1.00 0.00 ATOM 524 O PRO A 62 -6.832 -11.930 3.162 1.00 0.00 ATOM 525 C PRO A 62 -6.291 -12.228 4.241 1.00 0.00 ATOM 526 N ASP A 63 -6.995 -12.485 5.337 1.00 0.00 ATOM 527 CA ASP A 63 -8.447 -12.463 5.300 1.00 0.00 ATOM 528 CB ASP A 63 -8.982 -12.815 6.690 1.00 0.00 ATOM 529 CG ASP A 63 -8.803 -14.280 7.029 1.00 0.00 ATOM 530 OD1 ASP A 63 -8.489 -15.069 6.111 1.00 0.00 ATOM 531 OD2 ASP A 63 -8.978 -14.642 8.211 1.00 0.00 ATOM 532 O ASP A 63 -9.840 -10.956 4.073 1.00 0.00 ATOM 533 C ASP A 63 -8.969 -11.090 4.916 1.00 0.00 ATOM 534 N GLN A 64 -8.398 -10.045 5.502 1.00 0.00 ATOM 535 CA GLN A 64 -8.655 -8.685 5.144 1.00 0.00 ATOM 536 CB GLN A 64 -7.890 -7.701 6.012 1.00 0.00 ATOM 537 CG GLN A 64 -8.283 -6.256 5.825 1.00 0.00 ATOM 538 CD GLN A 64 -7.373 -5.304 6.574 1.00 0.00 ATOM 539 OE1 GLN A 64 -6.626 -5.707 7.470 1.00 0.00 ATOM 540 NE2 GLN A 64 -7.432 -4.035 6.208 1.00 0.00 ATOM 541 O GLN A 64 -9.146 -7.958 2.916 1.00 0.00 ATOM 542 C GLN A 64 -8.327 -8.469 3.669 1.00 0.00 ATOM 543 N VAL A 65 -7.144 -8.892 3.246 1.00 0.00 ATOM 544 CA VAL A 65 -6.746 -8.735 1.848 1.00 0.00 ATOM 545 CB VAL A 65 -5.262 -8.973 1.651 1.00 0.00 ATOM 546 CG1 VAL A 65 -4.871 -8.792 0.177 1.00 0.00 ATOM 547 CG2 VAL A 65 -4.474 -8.007 2.521 1.00 0.00 ATOM 548 O VAL A 65 -7.958 -9.173 -0.179 1.00 0.00 ATOM 549 C VAL A 65 -7.596 -9.597 0.918 1.00 0.00 ATOM 550 N GLU A 66 -7.905 -10.812 1.368 1.00 0.00 ATOM 551 CA GLU A 66 -8.718 -11.735 0.585 1.00 0.00 ATOM 552 CB GLU A 66 -8.818 -13.085 1.346 1.00 0.00 ATOM 553 CG GLU A 66 -7.493 -13.828 1.350 1.00 0.00 ATOM 554 CD GLU A 66 -7.491 -15.072 2.211 1.00 0.00 ATOM 555 OE1 GLU A 66 -6.519 -15.848 2.097 1.00 0.00 ATOM 556 OE2 GLU A 66 -8.438 -15.270 2.998 1.00 0.00 ATOM 557 O GLU A 66 -10.569 -11.251 -0.861 1.00 0.00 ATOM 558 C GLU A 66 -10.096 -11.159 0.270 1.00 0.00 ATOM 559 N LEU A 67 -10.730 -10.526 1.255 1.00 0.00 ATOM 560 CA LEU A 67 -12.044 -9.920 1.062 1.00 0.00 ATOM 561 CB LEU A 67 -12.661 -9.506 2.424 1.00 0.00 ATOM 562 CG LEU A 67 -13.975 -8.719 2.317 1.00 0.00 ATOM 563 CD1 LEU A 67 -15.088 -9.626 1.809 1.00 0.00 ATOM 564 CD2 LEU A 67 -14.329 -8.139 3.677 1.00 0.00 ATOM 565 O LEU A 67 -12.796 -8.596 -0.789 1.00 0.00 ATOM 566 C LEU A 67 -11.941 -8.759 0.079 1.00 0.00 ATOM 567 N LEU A 68 -10.885 -7.951 0.213 1.00 0.00 ATOM 568 CA LEU A 68 -10.708 -6.822 -0.692 1.00 0.00 ATOM 569 CB LEU A 68 -9.493 -6.009 -0.236 1.00 0.00 ATOM 570 CG LEU A 68 -9.633 -5.268 1.094 1.00 0.00 ATOM 571 CD1 LEU A 68 -8.402 -4.353 1.265 1.00 0.00 ATOM 572 CD2 LEU A 68 -10.926 -4.444 1.127 1.00 0.00 ATOM 573 O LEU A 68 -10.993 -6.663 -3.061 1.00 0.00 ATOM 574 C LEU A 68 -10.507 -7.296 -2.124 1.00 0.00 ATOM 575 N ALA A 69 -9.789 -8.406 -2.290 1.00 0.00 ATOM 576 CA ALA A 69 -9.549 -8.945 -3.625 1.00 0.00 ATOM 577 CB ALA A 69 -8.596 -10.114 -3.537 1.00 0.00 ATOM 578 O ALA A 69 -11.100 -9.158 -5.446 1.00 0.00 ATOM 579 C ALA A 69 -10.861 -9.385 -4.267 1.00 0.00 ATOM 580 N GLN A 70 -11.698 -10.068 -3.475 1.00 0.00 ATOM 581 CA GLN A 70 -12.977 -10.556 -3.960 1.00 0.00 ATOM 582 CB GLN A 70 -13.730 -11.368 -2.904 1.00 0.00 ATOM 583 CG GLN A 70 -13.070 -12.686 -2.525 1.00 0.00 ATOM 584 CD GLN A 70 -13.890 -13.483 -1.524 1.00 0.00 ATOM 585 OE1 GLN A 70 -13.474 -14.551 -1.072 1.00 0.00 ATOM 586 NE2 GLN A 70 -15.064 -12.968 -1.175 1.00 0.00 ATOM 587 O GLN A 70 -14.526 -9.455 -5.424 1.00 0.00 ATOM 588 C GLN A 70 -13.866 -9.400 -4.397 1.00 0.00 ATOM 589 N GLU A 71 -13.867 -8.364 -3.578 1.00 0.00 ATOM 590 CA GLU A 71 -14.637 -7.176 -3.883 1.00 0.00 ATOM 591 CB GLU A 71 -14.561 -6.154 -2.734 1.00 0.00 ATOM 592 CG GLU A 71 -15.380 -4.881 -2.965 1.00 0.00 ATOM 593 CD GLU A 71 -15.438 -3.974 -1.736 1.00 0.00 ATOM 594 OE1 GLU A 71 -14.430 -3.886 -1.009 1.00 0.00 ATOM 595 OE2 GLU A 71 -16.491 -3.338 -1.505 1.00 0.00 ATOM 596 O GLU A 71 -14.922 -6.075 -5.981 1.00 0.00 ATOM 597 C GLU A 71 -14.132 -6.510 -5.151 1.00 0.00 ATOM 598 N LEU A 72 -12.817 -6.404 -5.291 1.00 0.00 ATOM 599 CA LEU A 72 -12.241 -5.802 -6.488 1.00 0.00 ATOM 600 CB LEU A 72 -10.714 -5.743 -6.363 1.00 0.00 ATOM 601 CG LEU A 72 -9.930 -5.313 -7.608 1.00 0.00 ATOM 602 CD1 LEU A 72 -10.331 -3.905 -8.030 1.00 0.00 ATOM 603 CD2 LEU A 72 -8.443 -5.382 -7.299 1.00 0.00 ATOM 604 O LEU A 72 -12.963 -6.061 -8.766 1.00 0.00 ATOM 605 C LEU A 72 -12.632 -6.615 -7.720 1.00 0.00 ATOM 606 N SER A 73 -12.588 -7.927 -7.592 1.00 0.00 ATOM 607 CA SER A 73 -12.953 -8.804 -8.694 1.00 0.00 ATOM 608 CB SER A 73 -12.800 -10.274 -8.293 1.00 0.00 ATOM 609 OG SER A 73 -13.170 -11.126 -9.359 1.00 0.00 ATOM 610 O SER A 73 -14.707 -8.523 -10.289 1.00 0.00 ATOM 611 C SER A 73 -14.400 -8.547 -9.100 1.00 0.00 ATOM 612 N GLN A 74 -15.259 -8.431 -8.131 1.00 0.00 ATOM 613 CA GLN A 74 -16.680 -8.196 -8.463 1.00 0.00 ATOM 614 CB GLN A 74 -17.532 -8.192 -7.133 1.00 0.00 ATOM 615 CG GLN A 74 -19.016 -7.818 -7.316 1.00 0.00 ATOM 616 CD GLN A 74 -19.821 -7.889 -6.010 1.00 0.00 ATOM 617 OE1 GLN A 74 -19.331 -7.518 -4.938 1.00 0.00 ATOM 618 NE2 GLN A 74 -21.065 -8.355 -6.103 1.00 0.00 ATOM 619 O GLN A 74 -17.615 -6.817 -10.180 1.00 0.00 ATOM 620 C GLN A 74 -16.875 -6.879 -9.200 1.00 0.00 ATOM 621 N GLU A 75 -16.232 -5.812 -8.712 1.00 0.00 ATOM 622 CA GLU A 75 -16.336 -4.500 -9.345 1.00 0.00 ATOM 623 CB GLU A 75 -15.589 -3.432 -8.533 1.00 0.00 ATOM 624 CG GLU A 75 -15.649 -2.040 -9.155 1.00 0.00 ATOM 625 CD GLU A 75 -15.081 -0.948 -8.260 1.00 0.00 ATOM 626 OE1 GLU A 75 -15.001 0.212 -8.717 1.00 0.00 ATOM 627 OE2 GLU A 75 -14.720 -1.244 -7.102 1.00 0.00 ATOM 628 O GLU A 75 -16.407 -3.997 -11.691 1.00 0.00 ATOM 629 C GLU A 75 -15.802 -4.557 -10.771 1.00 0.00 ATOM 630 N LYS A 76 -14.671 -5.235 -10.957 1.00 0.00 ATOM 631 CA LYS A 76 -14.074 -5.365 -12.277 1.00 0.00 ATOM 632 CB LYS A 76 -12.764 -6.162 -12.170 1.00 0.00 ATOM 633 CG LYS A 76 -12.001 -6.264 -13.483 1.00 0.00 ATOM 634 CD LYS A 76 -10.700 -7.030 -13.308 1.00 0.00 ATOM 635 CE LYS A 76 -9.971 -7.191 -14.633 1.00 0.00 ATOM 636 NZ LYS A 76 -8.719 -7.980 -14.473 1.00 0.00 ATOM 637 O LYS A 76 -15.256 -5.647 -14.330 1.00 0.00 ATOM 638 C LYS A 76 -15.080 -6.046 -13.173 1.00 0.00 ATOM 639 N LEU A 77 -15.740 -7.123 -12.695 1.00 0.00 ATOM 640 CA LEU A 77 -16.730 -7.814 -13.505 1.00 0.00 ATOM 641 CB LEU A 77 -17.197 -9.047 -12.726 1.00 0.00 ATOM 642 CG LEU A 77 -16.291 -10.285 -12.691 1.00 0.00 ATOM 643 CD1 LEU A 77 -16.796 -11.253 -11.635 1.00 0.00 ATOM 644 CD2 LEU A 77 -16.275 -10.954 -14.057 1.00 0.00 ATOM 645 O LEU A 77 -18.362 -6.836 -14.971 1.00 0.00 ATOM 646 C LEU A 77 -17.911 -6.910 -13.822 1.00 0.00 ATOM 647 N ALA A 78 -18.428 -6.196 -12.812 1.00 0.00 ATOM 648 CA ALA A 78 -19.564 -5.299 -13.047 1.00 0.00 ATOM 649 CB ALA A 78 -19.987 -4.707 -11.715 1.00 0.00 ATOM 650 O ALA A 78 -20.030 -3.848 -14.881 1.00 0.00 ATOM 651 C ALA A 78 -19.204 -4.212 -14.058 1.00 0.00 ATOM 652 N ARG A 79 -18.005 -3.656 -13.955 1.00 0.00 ATOM 653 CA ARG A 79 -17.579 -2.631 -14.921 1.00 0.00 ATOM 654 CB ARG A 79 -16.148 -2.205 -14.635 1.00 0.00 ATOM 655 CG ARG A 79 -15.941 -1.076 -13.648 1.00 0.00 ATOM 656 CD ARG A 79 -14.434 -0.787 -13.595 1.00 0.00 ATOM 657 NE ARG A 79 -14.019 -0.387 -12.258 1.00 0.00 ATOM 658 CZ ARG A 79 -12.763 -0.392 -11.819 1.00 0.00 ATOM 659 NH1 ARG A 79 -11.776 -0.799 -12.610 1.00 0.00 ATOM 660 NH2 ARG A 79 -12.519 -0.003 -10.574 1.00 0.00 ATOM 661 O ARG A 79 -18.028 -2.534 -17.281 1.00 0.00 ATOM 662 C ARG A 79 -17.571 -3.191 -16.343 1.00 0.00 ATOM 663 N LYS A 80 -17.064 -4.402 -16.496 1.00 0.00 ATOM 664 CA LYS A 80 -17.019 -5.040 -17.806 1.00 0.00 ATOM 665 CB LYS A 80 -16.203 -6.338 -17.713 1.00 0.00 ATOM 666 CG LYS A 80 -14.744 -6.041 -17.411 1.00 0.00 ATOM 667 CD LYS A 80 -13.874 -7.263 -17.552 1.00 0.00 ATOM 668 CE LYS A 80 -14.083 -8.251 -16.419 1.00 0.00 ATOM 669 NZ LYS A 80 -13.164 -9.410 -16.562 1.00 0.00 ATOM 670 O LYS A 80 -18.711 -4.991 -19.501 1.00 0.00 ATOM 671 C LYS A 80 -18.434 -5.257 -18.320 1.00 0.00 ATOM 672 N GLN A 81 -19.337 -5.723 -17.478 1.00 0.00 ATOM 673 CA GLN A 81 -20.738 -5.923 -17.856 1.00 0.00 ATOM 674 CB GLN A 81 -21.540 -6.602 -16.775 1.00 0.00 ATOM 675 CG GLN A 81 -20.992 -7.983 -16.412 1.00 0.00 ATOM 676 CD GLN A 81 -21.798 -8.688 -15.340 1.00 0.00 ATOM 677 OE1 GLN A 81 -22.330 -8.055 -14.425 1.00 0.00 ATOM 678 NE2 GLN A 81 -21.870 -10.009 -15.433 1.00 0.00 ATOM 679 O GLN A 81 -22.136 -4.476 -19.155 1.00 0.00 ATOM 680 C GLN A 81 -21.389 -4.564 -18.182 1.00 0.00 ATOM 681 N LEU A 82 -21.094 -3.515 -17.389 1.00 0.00 ATOM 682 CA LEU A 82 -21.623 -2.177 -17.707 1.00 0.00 ATOM 683 CB LEU A 82 -21.415 -1.300 -16.404 1.00 0.00 ATOM 684 CG LEU A 82 -22.379 -1.512 -15.230 1.00 0.00 ATOM 685 CD1 LEU A 82 -21.883 -0.741 -14.007 1.00 0.00 ATOM 686 CD2 LEU A 82 -23.773 -1.042 -15.623 1.00 0.00 ATOM 687 O LEU A 82 -21.736 -0.906 -19.743 1.00 0.00 ATOM 688 C LEU A 82 -21.071 -1.664 -19.037 1.00 0.00 ATOM 689 N GLU A 83 -19.864 -2.069 -19.381 1.00 0.00 ATOM 690 CA GLU A 83 -19.277 -1.602 -20.631 1.00 0.00 ATOM 691 CB GLU A 83 -17.787 -1.965 -20.625 1.00 0.00 ATOM 692 CG GLU A 83 -17.006 -1.141 -19.615 1.00 0.00 ATOM 693 CD GLU A 83 -15.540 -1.492 -19.578 1.00 0.00 ATOM 694 OE1 GLU A 83 -15.202 -2.579 -19.062 1.00 0.00 ATOM 695 OE2 GLU A 83 -14.732 -0.678 -20.068 1.00 0.00 ATOM 696 O GLU A 83 -20.160 -1.448 -22.849 1.00 0.00 ATOM 697 C GLU A 83 -19.981 -2.157 -21.861 1.00 0.00 ATOM 698 N GLU A 84 -20.420 -3.409 -21.789 1.00 0.00 ATOM 699 CA GLU A 84 -21.130 -4.033 -22.900 1.00 0.00 ATOM 700 CB GLU A 84 -21.129 -5.531 -22.673 1.00 0.00 ATOM 701 CG GLU A 84 -21.641 -6.351 -23.830 1.00 0.00 ATOM 702 CD GLU A 84 -21.475 -7.838 -23.553 1.00 0.00 ATOM 703 OE1 GLU A 84 -20.306 -8.330 -23.616 1.00 0.00 ATOM 704 OE2 GLU A 84 -22.515 -8.505 -23.250 1.00 0.00 ATOM 705 O GLU A 84 -22.858 -3.074 -24.253 1.00 0.00 ATOM 706 C GLU A 84 -22.441 -3.297 -23.115 1.00 0.00 ATOM 707 N LEU A 85 -23.105 -2.904 -22.013 1.00 0.00 ATOM 708 CA LEU A 85 -24.359 -2.171 -22.100 1.00 0.00 ATOM 709 CB LEU A 85 -24.971 -2.124 -20.685 1.00 0.00 ATOM 710 CG LEU A 85 -25.466 -3.477 -20.162 1.00 0.00 ATOM 711 CD1 LEU A 85 -25.897 -3.356 -18.705 1.00 0.00 ATOM 712 CD2 LEU A 85 -26.621 -3.964 -21.023 1.00 0.00 ATOM 713 O LEU A 85 -24.969 -0.299 -23.459 1.00 0.00 ATOM 714 C LEU A 85 -24.151 -0.784 -22.676 1.00 0.00 ATOM 715 N ASN A 86 -23.055 -0.124 -22.288 1.00 0.00 ATOM 716 CA ASN A 86 -22.782 1.215 -22.782 1.00 0.00 ATOM 717 CB ASN A 86 -21.660 1.851 -21.965 1.00 0.00 ATOM 718 CG ASN A 86 -22.093 2.095 -20.533 1.00 0.00 ATOM 719 ND2 ASN A 86 -21.185 1.950 -19.582 1.00 0.00 ATOM 720 OD1 ASN A 86 -23.257 2.434 -20.302 1.00 0.00 ATOM 721 O ASN A 86 -22.912 2.180 -24.990 1.00 0.00 ATOM 722 C ASN A 86 -22.493 1.259 -24.277 1.00 0.00 ATOM 723 N LYS A 87 -21.763 0.247 -24.749 1.00 0.00 ATOM 724 CA LYS A 87 -21.400 0.152 -26.153 1.00 0.00 ATOM 725 CB LYS A 87 -20.445 -1.002 -26.366 1.00 0.00 ATOM 726 CG LYS A 87 -20.015 -1.195 -27.807 1.00 0.00 ATOM 727 CD LYS A 87 -19.255 0.010 -28.335 1.00 0.00 ATOM 728 CE LYS A 87 -18.820 -0.215 -29.771 1.00 0.00 ATOM 729 NZ LYS A 87 -18.072 0.947 -30.319 1.00 0.00 ATOM 730 O LYS A 87 -22.848 0.607 -28.023 1.00 0.00 ATOM 731 C LYS A 87 -22.665 -0.041 -26.977 1.00 0.00 ATOM 732 N THR A 88 -23.545 -0.933 -26.546 1.00 0.00 ATOM 733 CA THR A 88 -24.833 -1.053 -27.245 1.00 0.00 ATOM 734 CB THR A 88 -25.636 -2.226 -26.623 1.00 0.00 ATOM 735 CG2 THR A 88 -27.071 -2.338 -27.226 1.00 0.00 ATOM 736 OG1 THR A 88 -24.862 -3.416 -26.860 1.00 0.00 ATOM 737 O THR A 88 -26.391 0.503 -28.120 1.00 0.00 ATOM 738 C THR A 88 -25.622 0.235 -27.201 1.00 0.00 ATOM 739 N LEU A 89 -25.481 1.002 -26.130 1.00 0.00 ATOM 740 CA LEU A 89 -26.199 2.264 -25.967 1.00 0.00 ATOM 741 CB LEU A 89 -26.618 2.434 -24.427 1.00 0.00 ATOM 742 CG LEU A 89 -27.490 1.315 -23.832 1.00 0.00 ATOM 743 CD1 LEU A 89 -27.977 1.763 -22.454 1.00 0.00 ATOM 744 CD2 LEU A 89 -28.696 1.017 -24.719 1.00 0.00 ATOM 745 O LEU A 89 -25.995 4.501 -26.817 1.00 0.00 ATOM 746 C LEU A 89 -25.422 3.446 -26.525 1.00 0.00 ATOM 747 N GLY A 90 -24.114 3.285 -26.652 1.00 0.00 ATOM 748 CA GLY A 90 -23.322 4.373 -27.184 1.00 0.00 ATOM 749 O GLY A 90 -22.271 4.585 -25.075 1.00 0.00 ATOM 750 C GLY A 90 -22.304 4.924 -26.256 1.00 0.00 ATOM 751 N ASN A 91 -21.320 5.943 -26.663 1.00 0.00 ATOM 752 CA ASN A 91 -20.180 6.423 -25.944 1.00 0.00 ATOM 753 CB ASN A 91 -19.373 7.329 -26.876 1.00 0.00 ATOM 754 CG ASN A 91 -18.686 6.561 -27.987 1.00 0.00 ATOM 755 ND2 ASN A 91 -18.347 7.257 -29.065 1.00 0.00 ATOM 756 OD1 ASN A 91 -18.462 5.355 -27.872 1.00 0.00 ATOM 757 O ASN A 91 -19.955 7.060 -23.613 1.00 0.00 ATOM 758 C ASN A 91 -20.549 7.213 -24.699 1.00 0.00 ATOM 759 N GLU A 92 -21.501 8.095 -24.830 1.00 0.00 ATOM 760 CA GLU A 92 -21.943 8.932 -23.706 1.00 0.00 ATOM 761 CB GLU A 92 -22.982 9.969 -24.132 1.00 0.00 ATOM 762 CG GLU A 92 -22.422 11.035 -25.062 1.00 0.00 ATOM 763 CD GLU A 92 -23.479 12.017 -25.514 1.00 0.00 ATOM 764 OE1 GLU A 92 -23.994 12.781 -24.668 1.00 0.00 ATOM 765 OE2 GLU A 92 -23.809 12.012 -26.717 1.00 0.00 ATOM 766 O GLU A 92 -22.202 8.276 -21.398 1.00 0.00 ATOM 767 C GLU A 92 -22.516 8.071 -22.568 1.00 0.00 ATOM 768 N LEU A 93 -23.334 7.083 -22.918 1.00 0.00 ATOM 769 CA LEU A 93 -23.874 6.188 -21.909 1.00 0.00 ATOM 770 CB LEU A 93 -24.963 5.293 -22.479 1.00 0.00 ATOM 771 CG LEU A 93 -26.252 6.018 -22.881 1.00 0.00 ATOM 772 CD1 LEU A 93 -27.197 5.057 -23.597 1.00 0.00 ATOM 773 CD2 LEU A 93 -26.916 6.599 -21.643 1.00 0.00 ATOM 774 O LEU A 93 -22.800 5.102 -20.043 1.00 0.00 ATOM 775 C LEU A 93 -22.792 5.322 -21.260 1.00 0.00 ATOM 776 N SER A 94 -21.842 4.845 -22.054 1.00 0.00 ATOM 777 CA SER A 94 -20.743 4.088 -21.476 1.00 0.00 ATOM 778 CB SER A 94 -19.860 3.585 -22.645 1.00 0.00 ATOM 779 OG SER A 94 -18.713 2.923 -22.188 1.00 0.00 ATOM 780 O SER A 94 -19.535 4.432 -19.407 1.00 0.00 ATOM 781 C SER A 94 -19.956 4.927 -20.449 1.00 0.00 ATOM 782 N ASP A 95 -19.729 6.187 -20.768 1.00 0.00 ATOM 783 CA ASP A 95 -18.989 7.117 -19.931 1.00 0.00 ATOM 784 CB ASP A 95 -19.533 8.618 -20.469 1.00 0.00 ATOM 785 CG ASP A 95 -18.591 9.812 -20.487 1.00 0.00 ATOM 786 OD1 ASP A 95 -17.618 9.812 -21.262 1.00 0.00 ATOM 787 OD2 ASP A 95 -18.850 10.779 -19.740 1.00 0.00 ATOM 788 O ASP A 95 -19.055 7.208 -17.536 1.00 0.00 ATOM 789 C ASP A 95 -19.685 7.321 -18.586 1.00 0.00 ATOM 790 N ILE A 96 -20.990 7.617 -18.594 1.00 0.00 ATOM 791 CA ILE A 96 -21.729 7.816 -17.349 1.00 0.00 ATOM 792 CB ILE A 96 -23.220 8.165 -17.639 1.00 0.00 ATOM 793 CG1 ILE A 96 -23.335 9.564 -18.264 1.00 0.00 ATOM 794 CG2 ILE A 96 -24.089 8.073 -16.350 1.00 0.00 ATOM 795 CD1 ILE A 96 -24.747 9.825 -18.812 1.00 0.00 ATOM 796 O ILE A 96 -21.472 6.673 -15.254 1.00 0.00 ATOM 797 C ILE A 96 -21.684 6.575 -16.460 1.00 0.00 ATOM 798 N LYS A 97 -21.870 5.403 -17.054 1.00 0.00 ATOM 799 CA LYS A 97 -21.834 4.177 -16.269 1.00 0.00 ATOM 800 CB LYS A 97 -22.244 2.978 -17.074 1.00 0.00 ATOM 801 CG LYS A 97 -23.718 2.912 -17.402 1.00 0.00 ATOM 802 CD LYS A 97 -24.519 2.499 -16.181 1.00 0.00 ATOM 803 CE LYS A 97 -25.959 2.186 -16.546 1.00 0.00 ATOM 804 NZ LYS A 97 -26.768 1.884 -15.325 1.00 0.00 ATOM 805 O LYS A 97 -20.305 3.500 -14.561 1.00 0.00 ATOM 806 C LYS A 97 -20.460 3.984 -15.671 1.00 0.00 ATOM 807 N LEU A 98 -19.380 4.323 -16.414 1.00 0.00 ATOM 808 CA LEU A 98 -18.017 4.240 -15.933 1.00 0.00 ATOM 809 CB LEU A 98 -17.007 4.582 -17.039 1.00 0.00 ATOM 810 CG LEU A 98 -16.879 3.541 -18.154 1.00 0.00 ATOM 811 CD1 LEU A 98 -16.206 4.126 -19.366 1.00 0.00 ATOM 812 CD2 LEU A 98 -16.111 2.317 -17.655 1.00 0.00 ATOM 813 O LEU A 98 -17.172 4.759 -13.752 1.00 0.00 ATOM 814 C LEU A 98 -17.807 5.152 -14.732 1.00 0.00 ATOM 815 N SER A 99 -18.387 6.334 -14.804 1.00 0.00 ATOM 816 CA SER A 99 -18.250 7.300 -13.724 1.00 0.00 ATOM 817 CB SER A 99 -18.735 8.691 -14.120 1.00 0.00 ATOM 818 OG SER A 99 -20.144 8.810 -14.001 1.00 0.00 ATOM 819 O SER A 99 -18.584 7.092 -11.373 1.00 0.00 ATOM 820 C SER A 99 -18.987 6.793 -12.496 1.00 0.00 ATOM 821 N LEU A 100 -20.071 6.039 -12.701 1.00 0.00 ATOM 822 CA LEU A 100 -20.802 5.480 -11.569 1.00 0.00 ATOM 823 CB LEU A 100 -22.218 5.046 -12.019 1.00 0.00 ATOM 824 CG LEU A 100 -23.260 6.137 -12.271 1.00 0.00 ATOM 825 CD1 LEU A 100 -24.512 5.531 -12.889 1.00 0.00 ATOM 826 CD2 LEU A 100 -23.597 6.831 -10.954 1.00 0.00 ATOM 827 O LEU A 100 -19.994 4.180 -9.742 1.00 0.00 ATOM 828 C LEU A 100 -20.000 4.340 -10.961 1.00 0.00 ATOM 829 N LEU A 101 -19.311 3.572 -11.809 1.00 0.00 ATOM 830 CA LEU A 101 -18.464 2.464 -11.341 1.00 0.00 ATOM 831 CB LEU A 101 -17.910 1.669 -12.522 1.00 0.00 ATOM 832 CG LEU A 101 -18.931 0.699 -13.118 1.00 0.00 ATOM 833 CD1 LEU A 101 -18.554 0.257 -14.522 1.00 0.00 ATOM 834 CD2 LEU A 101 -19.026 -0.503 -12.210 1.00 0.00 ATOM 835 O LEU A 101 -16.949 2.475 -9.467 1.00 0.00 ATOM 836 C LEU A 101 -17.321 3.037 -10.497 1.00 0.00 ATOM 837 N SER A 102 -16.798 4.182 -10.913 1.00 0.00 ATOM 838 CA SER A 102 -15.731 4.866 -10.169 1.00 0.00 ATOM 839 CB SER A 102 -15.158 6.061 -10.794 1.00 0.00 ATOM 840 OG SER A 102 -16.129 7.089 -10.892 1.00 0.00 ATOM 841 O SER A 102 -15.450 5.105 -7.779 1.00 0.00 ATOM 842 C SER A 102 -16.179 5.279 -8.776 1.00 0.00 ATOM 843 N LEU A 103 -17.443 5.758 -8.645 1.00 0.00 ATOM 844 CA LEU A 103 -17.975 6.131 -7.341 1.00 0.00 ATOM 845 CB LEU A 103 -19.271 6.953 -7.509 1.00 0.00 ATOM 846 CG LEU A 103 -20.017 7.409 -6.253 1.00 0.00 ATOM 847 CD1 LEU A 103 -19.093 8.261 -5.440 1.00 0.00 ATOM 848 CD2 LEU A 103 -21.270 8.227 -6.615 1.00 0.00 ATOM 849 O LEU A 103 -17.886 5.038 -5.193 1.00 0.00 ATOM 850 C LEU A 103 -18.208 4.945 -6.385 1.00 0.00 ATOM 851 N LYS A 104 -18.772 3.860 -6.903 1.00 0.00 ATOM 852 CA LYS A 104 -19.078 2.673 -6.095 1.00 0.00 ATOM 853 CB LYS A 104 -19.648 1.569 -6.967 1.00 0.00 ATOM 854 CG LYS A 104 -21.125 1.620 -7.188 1.00 0.00 ATOM 855 CD LYS A 104 -21.379 0.717 -8.344 1.00 0.00 ATOM 856 CE LYS A 104 -22.708 0.101 -8.303 1.00 0.00 ATOM 857 NZ LYS A 104 -22.690 -1.088 -9.243 1.00 0.00 ATOM 858 O LYS A 104 -17.841 1.778 -4.241 1.00 0.00 ATOM 859 C LYS A 104 -17.826 2.123 -5.434 1.00 0.00 ATOM 860 N GLY A 105 -16.674 2.110 -6.216 1.00 0.00 ATOM 861 CA GLY A 105 -15.379 1.716 -5.671 1.00 0.00 ATOM 862 O GLY A 105 -14.496 2.234 -3.490 1.00 0.00 ATOM 863 C GLY A 105 -14.904 2.683 -4.565 1.00 0.00 ATOM 864 N ASP A 106 -14.967 4.001 -4.798 1.00 0.00 ATOM 865 CA ASP A 106 -14.637 4.958 -3.740 1.00 0.00 ATOM 866 CB ASP A 106 -14.647 6.385 -4.291 1.00 0.00 ATOM 867 CG ASP A 106 -13.452 6.676 -5.178 1.00 0.00 ATOM 868 OD1 ASP A 106 -12.500 5.868 -5.174 1.00 0.00 ATOM 869 OD2 ASP A 106 -13.470 7.709 -5.878 1.00 0.00 ATOM 870 O ASP A 106 -15.219 4.994 -1.411 1.00 0.00 ATOM 871 C ASP A 106 -15.625 4.888 -2.570 1.00 0.00 ATOM 872 N TYR A 107 -16.898 4.695 -2.866 1.00 0.00 ATOM 873 CA TYR A 107 -17.900 4.490 -1.824 1.00 0.00 ATOM 874 CB TYR A 107 -19.288 4.257 -2.424 1.00 0.00 ATOM 875 CG TYR A 107 -20.363 3.987 -1.394 1.00 0.00 ATOM 876 CD1 TYR A 107 -20.925 5.025 -0.663 1.00 0.00 ATOM 877 CD2 TYR A 107 -20.813 2.694 -1.158 1.00 0.00 ATOM 878 CE1 TYR A 107 -21.908 4.787 0.279 1.00 0.00 ATOM 879 CE2 TYR A 107 -21.794 2.437 -0.220 1.00 0.00 ATOM 880 CZ TYR A 107 -22.340 3.498 0.501 1.00 0.00 ATOM 881 OH TYR A 107 -23.319 3.259 1.439 1.00 0.00 ATOM 882 O TYR A 107 -17.657 3.309 0.254 1.00 0.00 ATOM 883 C TYR A 107 -17.526 3.266 -0.964 1.00 0.00 ATOM 884 N ALA A 108 -17.052 2.204 -1.603 1.00 0.00 ATOM 885 CA ALA A 108 -16.706 0.966 -0.911 1.00 0.00 ATOM 886 CB ALA A 108 -16.346 -0.115 -1.917 1.00 0.00 ATOM 887 O ALA A 108 -15.587 0.737 1.202 1.00 0.00 ATOM 888 C ALA A 108 -15.569 1.222 0.072 1.00 0.00 ATOM 889 N GLU A 109 -14.557 1.962 -0.385 1.00 0.00 ATOM 890 CA GLU A 109 -13.425 2.293 0.462 1.00 0.00 ATOM 891 CB GLU A 109 -12.401 3.126 -0.313 1.00 0.00 ATOM 892 CG GLU A 109 -11.181 3.522 0.500 1.00 0.00 ATOM 893 CD GLU A 109 -10.175 4.318 -0.307 1.00 0.00 ATOM 894 OE1 GLU A 109 -10.428 4.548 -1.510 1.00 0.00 ATOM 895 OE2 GLU A 109 -9.133 4.710 0.259 1.00 0.00 ATOM 896 O GLU A 109 -13.398 2.911 2.779 1.00 0.00 ATOM 897 C GLU A 109 -13.855 3.138 1.659 1.00 0.00 ATOM 898 N LEU A 110 -14.764 4.082 1.421 1.00 0.00 ATOM 899 CA LEU A 110 -15.261 4.948 2.489 1.00 0.00 ATOM 900 CB LEU A 110 -16.099 6.098 1.902 1.00 0.00 ATOM 901 CG LEU A 110 -15.317 7.198 1.175 1.00 0.00 ATOM 902 CD1 LEU A 110 -16.273 8.081 0.389 1.00 0.00 ATOM 903 CD2 LEU A 110 -14.532 8.022 2.188 1.00 0.00 ATOM 904 O LEU A 110 -15.855 4.353 4.753 1.00 0.00 ATOM 905 C LEU A 110 -16.014 4.130 3.546 1.00 0.00 ATOM 906 N GLU A 111 -16.807 3.176 3.116 1.00 0.00 ATOM 907 CA GLU A 111 -17.521 2.286 4.040 1.00 0.00 ATOM 908 CB GLU A 111 -18.404 1.306 3.266 1.00 0.00 ATOM 909 CG GLU A 111 -19.230 0.385 4.148 1.00 0.00 ATOM 910 CD GLU A 111 -20.135 -0.532 3.348 1.00 0.00 ATOM 911 OE1 GLU A 111 -20.128 -0.433 2.102 1.00 0.00 ATOM 912 OE2 GLU A 111 -20.849 -1.348 3.965 1.00 0.00 ATOM 913 O GLU A 111 -16.691 1.346 6.106 1.00 0.00 ATOM 914 C GLU A 111 -16.534 1.477 4.895 1.00 0.00 ATOM 915 N HIS A 112 -15.505 0.987 4.264 1.00 0.00 ATOM 916 CA HIS A 112 -14.457 0.252 4.960 1.00 0.00 ATOM 917 CB HIS A 112 -13.422 -0.306 3.983 1.00 0.00 ATOM 918 CG HIS A 112 -13.912 -1.475 3.187 1.00 0.00 ATOM 919 CD2 HIS A 112 -14.163 -1.740 1.776 1.00 0.00 ATOM 920 ND1 HIS A 112 -14.257 -2.678 3.764 1.00 0.00 ATOM 921 CE1 HIS A 112 -14.656 -3.529 2.802 1.00 0.00 ATOM 922 NE2 HIS A 112 -14.604 -2.972 1.607 1.00 0.00 ATOM 923 O HIS A 112 -13.488 0.771 7.106 1.00 0.00 ATOM 924 C HIS A 112 -13.716 1.169 5.958 1.00 0.00 ATOM 925 N HIS A 113 -13.300 2.363 5.534 1.00 0.00 ATOM 926 CA HIS A 113 -12.688 3.330 6.480 1.00 0.00 ATOM 927 CB HIS A 113 -12.389 4.636 5.873 1.00 0.00 ATOM 928 CG HIS A 113 -11.623 5.549 6.780 1.00 0.00 ATOM 929 CD2 HIS A 113 -11.896 6.796 7.230 1.00 0.00 ATOM 930 ND1 HIS A 113 -10.404 5.203 7.323 1.00 0.00 ATOM 931 CE1 HIS A 113 -9.960 6.197 8.072 1.00 0.00 ATOM 932 NE2 HIS A 113 -10.847 7.176 8.032 1.00 0.00 ATOM 933 O HIS A 113 -13.266 3.654 8.794 1.00 0.00 ATOM 934 C HIS A 113 -13.647 3.645 7.619 1.00 0.00 ATOM 935 N HIS A 114 -14.928 3.916 7.312 1.00 0.00 ATOM 936 CA HIS A 114 -15.902 4.230 8.332 1.00 0.00 ATOM 937 CB HIS A 114 -17.250 4.488 7.657 1.00 0.00 ATOM 938 CG HIS A 114 -18.350 4.826 8.613 1.00 0.00 ATOM 939 CD2 HIS A 114 -19.514 4.131 9.144 1.00 0.00 ATOM 940 ND1 HIS A 114 -18.442 6.049 9.241 1.00 0.00 ATOM 941 CE1 HIS A 114 -19.527 6.053 10.035 1.00 0.00 ATOM 942 NE2 HIS A 114 -20.176 4.906 9.981 1.00 0.00 ATOM 943 O HIS A 114 -16.037 3.268 10.545 1.00 0.00 ATOM 944 C HIS A 114 -16.093 3.078 9.336 1.00 0.00 ATOM 945 N HIS A 115 -16.269 1.856 8.824 1.00 0.00 ATOM 946 CA HIS A 115 -16.454 0.723 9.701 1.00 0.00 ATOM 947 CB HIS A 115 -16.854 -0.490 8.837 1.00 0.00 ATOM 948 CG HIS A 115 -17.186 -1.722 9.626 1.00 0.00 ATOM 949 CD2 HIS A 115 -17.194 -1.959 10.960 1.00 0.00 ATOM 950 ND1 HIS A 115 -17.570 -2.905 9.026 1.00 0.00 ATOM 951 CE1 HIS A 115 -17.803 -3.815 9.956 1.00 0.00 ATOM 952 NE2 HIS A 115 -17.582 -3.269 11.137 1.00 0.00 ATOM 953 O HIS A 115 -15.134 0.202 11.657 1.00 0.00 ATOM 954 C HIS A 115 -15.125 0.467 10.450 1.00 0.00 ATOM 955 N HIS A 116 -13.994 0.535 9.749 1.00 0.00 ATOM 956 CA HIS A 116 -12.674 0.344 10.352 1.00 0.00 ATOM 957 CB HIS A 116 -11.589 0.333 9.262 1.00 0.00 ATOM 958 CG HIS A 116 -10.187 0.302 9.790 1.00 0.00 ATOM 959 CD2 HIS A 116 -9.357 -0.735 10.053 1.00 0.00 ATOM 960 ND1 HIS A 116 -9.473 1.445 10.079 1.00 0.00 ATOM 961 CE1 HIS A 116 -8.265 1.116 10.494 1.00 0.00 ATOM 962 NE2 HIS A 116 -8.169 -0.203 10.491 1.00 0.00 ATOM 963 O HIS A 116 -11.901 1.167 12.480 1.00 0.00 ATOM 964 C HIS A 116 -12.397 1.437 11.385 1.00 0.00 ATOM 965 N HIS A 117 -12.732 2.656 11.019 1.00 0.00 ATOM 966 CA HIS A 117 -12.526 3.811 11.886 1.00 0.00 ATOM 967 CB HIS A 117 -12.902 5.099 11.161 1.00 0.00 ATOM 968 CG HIS A 117 -12.698 6.329 11.987 1.00 0.00 ATOM 969 CD2 HIS A 117 -13.580 7.219 12.492 1.00 0.00 ATOM 970 ND1 HIS A 117 -11.453 6.733 12.410 1.00 0.00 ATOM 971 CE1 HIS A 117 -11.573 7.841 13.121 1.00 0.00 ATOM 972 NE2 HIS A 117 -12.853 8.162 13.173 1.00 0.00 ATOM 973 O HIS A 117 -12.966 4.171 14.229 1.00 0.00 ATOM 974 C HIS A 117 -13.360 3.688 13.168 1.00 0.00 ENDMDL EXPDTA 2hg7A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hg7A ATOM 1 N MET 1 -8.617 -6.057 5.729 1.00 0.00 ATOM 2 CA MET 1 -7.197 -5.647 5.748 1.00 0.00 ATOM 3 CB MET 1 -6.429 -6.259 4.558 1.00 0.00 ATOM 4 CG MET 1 -7.071 -6.044 3.194 1.00 0.00 ATOM 5 SD MET 1 -6.932 -4.352 2.591 1.00 0.00 ATOM 6 CE MET 1 -7.635 -4.520 0.949 1.00 0.00 ATOM 7 O MET 1 -8.087 -3.422 5.664 1.00 0.00 ATOM 8 C MET 1 -7.082 -4.128 5.762 1.00 0.00 ATOM 9 N ILE 2 -5.866 -3.627 5.898 1.00 0.00 ATOM 10 CA ILE 2 -5.645 -2.192 5.984 1.00 0.00 ATOM 11 CB ILE 2 -4.992 -1.803 7.329 1.00 0.00 ATOM 12 CG1 ILE 2 -5.828 -2.331 8.499 1.00 0.00 ATOM 13 CG2 ILE 2 -4.840 -0.290 7.429 1.00 0.00 ATOM 14 CD1 ILE 2 -5.218 -2.065 9.859 1.00 0.00 ATOM 15 O ILE 2 -3.686 -2.276 4.604 1.00 0.00 ATOM 16 C ILE 2 -4.759 -1.719 4.837 1.00 0.00 ATOM 17 N LEU 3 -5.212 -0.688 4.127 1.00 0.00 ATOM 18 CA LEU 3 -4.489 -0.137 3.002 1.00 0.00 ATOM 19 CB LEU 3 -5.379 0.878 2.299 1.00 0.00 ATOM 20 CG LEU 3 -6.271 0.326 1.181 1.00 0.00 ATOM 21 CD1 LEU 3 -5.434 -0.384 0.132 1.00 0.00 ATOM 22 CD2 LEU 3 -7.334 -0.610 1.741 1.00 0.00 ATOM 23 O LEU 3 -2.173 0.434 2.775 1.00 0.00 ATOM 24 C LEU 3 -3.194 0.527 3.450 1.00 0.00 ATOM 25 N TYR 4 -3.255 1.184 4.603 1.00 0.00 ATOM 26 CA TYR 4 -2.108 1.892 5.165 1.00 0.00 ATOM 27 CB TYR 4 -2.467 2.435 6.555 1.00 0.00 ATOM 28 CG TYR 4 -1.334 3.144 7.272 1.00 0.00 ATOM 29 CD1 TYR 4 -0.788 4.318 6.770 1.00 0.00 ATOM 30 CD2 TYR 4 -0.829 2.646 8.467 1.00 0.00 ATOM 31 CE1 TYR 4 0.230 4.977 7.438 1.00 0.00 ATOM 32 CE2 TYR 4 0.190 3.296 9.138 1.00 0.00 ATOM 33 CZ TYR 4 0.716 4.461 8.621 1.00 0.00 ATOM 34 OH TYR 4 1.722 5.117 9.295 1.00 0.00 ATOM 35 O TYR 4 0.213 1.380 4.840 1.00 0.00 ATOM 36 C TYR 4 -0.877 0.986 5.250 1.00 0.00 ATOM 37 N ASP 5 -1.064 -0.228 5.756 1.00 0.00 ATOM 38 CA ASP 5 0.030 -1.189 5.886 1.00 0.00 ATOM 39 CB ASP 5 -0.451 -2.461 6.583 1.00 0.00 ATOM 40 CG ASP 5 -0.590 -2.287 8.082 1.00 0.00 ATOM 41 OD1 ASP 5 -1.733 -2.179 8.572 1.00 0.00 ATOM 42 OD2 ASP 5 0.447 -2.259 8.778 1.00 0.00 ATOM 43 O ASP 5 1.835 -1.536 4.346 1.00 0.00 ATOM 44 C ASP 5 0.618 -1.538 4.526 1.00 0.00 ATOM 45 N ALA 6 -0.256 -1.833 3.575 1.00 0.00 ATOM 46 CA ALA 6 0.164 -2.176 2.221 1.00 0.00 ATOM 47 CB ALA 6 -1.044 -2.540 1.372 1.00 0.00 ATOM 48 O ALA 6 1.990 -1.249 0.953 1.00 0.00 ATOM 49 C ALA 6 0.945 -1.033 1.573 1.00 0.00 ATOM 50 N ILE 7 0.441 0.188 1.731 1.00 0.00 ATOM 51 CA ILE 7 1.100 1.367 1.177 1.00 0.00 ATOM 52 CB ILE 7 0.252 2.643 1.375 1.00 0.00 ATOM 53 CG1 ILE 7 -1.127 2.471 0.733 1.00 0.00 ATOM 54 CG2 ILE 7 0.967 3.851 0.785 1.00 0.00 ATOM 55 CD1 ILE 7 -2.064 3.637 0.972 1.00 0.00 ATOM 56 O ILE 7 3.439 1.885 1.130 1.00 0.00 ATOM 57 C ILE 7 2.472 1.565 1.814 1.00 0.00 ATOM 58 N MET 8 2.556 1.348 3.122 1.00 0.00 ATOM 59 CA MET 8 3.818 1.509 3.846 1.00 0.00 ATOM 60 CB MET 8 3.585 1.458 5.358 1.00 0.00 ATOM 61 CG MET 8 2.816 2.649 5.921 1.00 0.00 ATOM 62 SD MET 8 3.759 4.190 5.924 1.00 0.00 ATOM 63 CE MET 8 3.418 4.845 4.293 1.00 0.00 ATOM 64 O MET 8 6.033 0.614 3.619 1.00 0.00 ATOM 65 C MET 8 4.826 0.438 3.447 1.00 0.00 ATOM 66 N TYR 9 4.333 -0.673 2.918 1.00 0.00 ATOM 67 CA TYR 9 5.205 -1.749 2.471 1.00 0.00 ATOM 68 CB TYR 9 4.419 -3.058 2.311 1.00 0.00 ATOM 69 CG TYR 9 5.259 -4.216 1.806 1.00 0.00 ATOM 70 CD1 TYR 9 5.227 -4.594 0.468 1.00 0.00 ATOM 71 CD2 TYR 9 6.097 -4.919 2.663 1.00 0.00 ATOM 72 CE1 TYR 9 6.005 -5.638 0.003 1.00 0.00 ATOM 73 CE2 TYR 9 6.875 -5.967 2.204 1.00 0.00 ATOM 74 CZ TYR 9 6.827 -6.319 0.874 1.00 0.00 ATOM 75 OH TYR 9 7.608 -7.357 0.410 1.00 0.00 ATOM 76 O TYR 9 7.086 -1.591 0.987 1.00 0.00 ATOM 77 C TYR 9 5.889 -1.374 1.158 1.00 0.00 ATOM 78 N LYS 10 5.127 -0.798 0.238 1.00 0.00 ATOM 79 CA LYS 10 5.650 -0.488 -1.085 1.00 0.00 ATOM 80 CB LYS 10 4.553 -0.646 -2.146 1.00 0.00 ATOM 81 CG LYS 10 5.066 -0.564 -3.579 1.00 0.00 ATOM 82 CD LYS 10 6.128 -1.622 -3.845 1.00 0.00 ATOM 83 CE LYS 10 6.659 -1.557 -5.272 1.00 0.00 ATOM 84 NZ LYS 10 5.611 -1.892 -6.274 1.00 0.00 ATOM 85 O LYS 10 7.244 1.153 -1.828 1.00 0.00 ATOM 86 C LYS 10 6.246 0.922 -1.142 1.00 0.00 ATOM 87 N TYR 11 5.646 1.858 -0.417 1.00 0.00 ATOM 88 CA TYR 11 6.083 3.250 -0.461 1.00 0.00 ATOM 89 CB TYR 11 4.972 4.149 -1.014 1.00 0.00 ATOM 90 CG TYR 11 4.427 3.713 -2.353 1.00 0.00 ATOM 91 CD1 TYR 11 5.178 3.852 -3.514 1.00 0.00 ATOM 92 CD2 TYR 11 3.150 3.174 -2.456 1.00 0.00 ATOM 93 CE1 TYR 11 4.670 3.462 -4.740 1.00 0.00 ATOM 94 CE2 TYR 11 2.638 2.783 -3.675 1.00 0.00 ATOM 95 CZ TYR 11 3.398 2.929 -4.813 1.00 0.00 ATOM 96 OH TYR 11 2.884 2.540 -6.030 1.00 0.00 ATOM 97 O TYR 11 5.681 4.349 1.636 1.00 0.00 ATOM 98 C TYR 11 6.488 3.748 0.927 1.00 0.00 ATOM 99 N PRO 12 7.741 3.494 1.339 1.00 0.00 ATOM 100 CA PRO 12 8.263 3.951 2.633 1.00 0.00 ATOM 101 CB PRO 12 9.611 3.224 2.758 1.00 0.00 ATOM 102 CG PRO 12 9.590 2.164 1.708 1.00 0.00 ATOM 103 CD PRO 12 8.742 2.713 0.603 1.00 0.00 ATOM 104 O PRO 12 8.506 6.073 3.755 1.00 0.00 ATOM 105 C PRO 12 8.483 5.464 2.682 1.00 0.00 ATOM 106 N ASN 13 8.643 6.068 1.515 1.00 0.00 ATOM 107 CA ASN 13 8.925 7.493 1.422 1.00 0.00 ATOM 108 CB ASN 13 9.934 7.763 0.306 1.00 0.00 ATOM 109 CG ASN 13 11.335 7.298 0.667 1.00 0.00 ATOM 110 ND2 ASN 13 11.688 6.085 0.261 1.00 0.00 ATOM 111 OD1 ASN 13 12.103 8.033 1.291 1.00 0.00 ATOM 112 O ASN 13 7.704 9.505 0.938 1.00 0.00 ATOM 113 C ASN 13 7.651 8.300 1.190 1.00 0.00 ATOM 114 N ALA 14 6.508 7.638 1.281 1.00 0.00 ATOM 115 CA ALA 14 5.223 8.312 1.142 1.00 0.00 ATOM 116 CB ALA 14 4.244 7.438 0.372 1.00 0.00 ATOM 117 O ALA 14 4.778 7.878 3.457 1.00 0.00 ATOM 118 C ALA 14 4.662 8.664 2.515 1.00 0.00 ATOM 119 N VAL 15 4.070 9.845 2.636 1.00 0.00 ATOM 120 CA VAL 15 3.550 10.299 3.919 1.00 0.00 ATOM 121 CB VAL 15 4.005 11.743 4.234 1.00 0.00 ATOM 122 CG1 VAL 15 3.592 12.151 5.640 1.00 0.00 ATOM 123 CG2 VAL 15 5.508 11.885 4.058 1.00 0.00 ATOM 124 O VAL 15 1.344 10.756 3.058 1.00 0.00 ATOM 125 C VAL 15 2.025 10.232 3.949 1.00 0.00 ATOM 126 N SER 16 1.493 9.578 4.973 1.00 0.00 ATOM 127 CA SER 16 0.059 9.501 5.169 1.00 0.00 ATOM 128 CB SER 16 -0.270 8.393 6.174 1.00 0.00 ATOM 129 OG SER 16 0.563 8.480 7.317 1.00 0.00 ATOM 130 O SER 16 0.262 11.632 6.257 1.00 0.00 ATOM 131 C SER 16 -0.476 10.847 5.649 1.00 0.00 ATOM 132 N ARG 17 -1.748 11.120 5.344 1.00 0.00 ATOM 133 CA ARG 17 -2.394 12.382 5.714 1.00 0.00 ATOM 134 CB ARG 17 -2.321 12.609 7.233 1.00 0.00 ATOM 135 CG ARG 17 -2.815 11.434 8.063 1.00 0.00 ATOM 136 CD ARG 17 -2.600 11.670 9.552 1.00 0.00 ATOM 137 NE ARG 17 -1.208 12.012 9.857 1.00 0.00 ATOM 138 CZ ARG 17 -0.473 11.419 10.800 1.00 0.00 ATOM 139 NH1 ARG 17 -0.988 10.445 11.545 1.00 0.00 ATOM 140 NH2 ARG 17 0.785 11.802 10.990 1.00 0.00 ATOM 141 O ARG 17 -1.896 14.708 5.339 1.00 0.00 ATOM 142 C ARG 17 -1.730 13.544 4.976 1.00 0.00 ATOM 143 N LYS 18 -0.990 13.211 3.926 1.00 0.00 ATOM 144 CA LYS 18 -0.202 14.188 3.189 1.00 0.00 ATOM 145 CB LYS 18 1.249 14.163 3.688 1.00 0.00 ATOM 146 CG LYS 18 2.193 15.086 2.932 1.00 0.00 ATOM 147 CD LYS 18 1.924 16.550 3.237 1.00 0.00 ATOM 148 CE LYS 18 2.911 17.455 2.514 1.00 0.00 ATOM 149 NZ LYS 18 4.325 17.131 2.859 1.00 0.00 ATOM 150 O LYS 18 -0.931 14.582 0.933 1.00 0.00 ATOM 151 C LYS 18 -0.249 13.892 1.692 1.00 0.00 ATOM 152 N ASP 19 0.461 12.847 1.282 1.00 0.00 ATOM 153 CA ASP 19 0.518 12.461 -0.123 1.00 0.00 ATOM 154 CB ASP 19 1.765 11.618 -0.406 1.00 0.00 ATOM 155 CG ASP 19 3.058 12.358 -0.122 1.00 0.00 ATOM 156 OD1 ASP 19 3.818 11.909 0.764 1.00 0.00 ATOM 157 OD2 ASP 19 3.317 13.390 -0.780 1.00 0.00 ATOM 158 O ASP 19 -1.187 11.701 -1.635 1.00 0.00 ATOM 159 C ASP 19 -0.725 11.675 -0.492 1.00 0.00 ATOM 160 N PHE 20 -1.263 10.978 0.491 1.00 0.00 ATOM 161 CA PHE 20 -2.497 10.240 0.323 1.00 0.00 ATOM 162 CB PHE 20 -2.218 8.760 0.012 1.00 0.00 ATOM 163 CG PHE 20 -1.324 8.068 1.008 1.00 0.00 ATOM 164 CD1 PHE 20 0.056 8.121 0.876 1.00 0.00 ATOM 165 CD2 PHE 20 -1.865 7.359 2.070 1.00 0.00 ATOM 166 CE1 PHE 20 0.877 7.488 1.790 1.00 0.00 ATOM 167 CE2 PHE 20 -1.047 6.724 2.985 1.00 0.00 ATOM 168 CZ PHE 20 0.325 6.787 2.843 1.00 0.00 ATOM 169 O PHE 20 -2.868 10.317 2.698 1.00 0.00 ATOM 170 C PHE 20 -3.361 10.384 1.568 1.00 0.00 ATOM 171 N GLU 21 -4.644 10.612 1.352 1.00 0.00 ATOM 172 CA GLU 21 -5.590 10.773 2.445 1.00 0.00 ATOM 173 CB GLU 21 -6.623 11.849 2.098 1.00 0.00 ATOM 174 CG GLU 21 -7.714 12.043 3.142 1.00 0.00 ATOM 175 CD GLU 21 -7.245 12.831 4.349 1.00 0.00 ATOM 176 OE1 GLU 21 -6.590 12.242 5.232 1.00 0.00 ATOM 177 OE2 GLU 21 -7.551 14.043 4.422 1.00 0.00 ATOM 178 O GLU 21 -6.822 8.836 1.784 1.00 0.00 ATOM 179 C GLU 21 -6.286 9.448 2.705 1.00 0.00 ATOM 180 N LEU 22 -6.264 9.002 3.944 1.00 0.00 ATOM 181 CA LEU 22 -6.912 7.758 4.315 1.00 0.00 ATOM 182 CB LEU 22 -6.037 6.954 5.272 1.00 0.00 ATOM 183 CG LEU 22 -4.645 6.609 4.746 1.00 0.00 ATOM 184 CD1 LEU 22 -3.821 5.946 5.832 1.00 0.00 ATOM 185 CD2 LEU 22 -4.745 5.700 3.531 1.00 0.00 ATOM 186 O LEU 22 -8.454 9.103 5.566 1.00 0.00 ATOM 187 C LEU 22 -8.251 8.042 4.971 1.00 0.00 ATOM 188 N ARG 23 -9.155 7.094 4.868 1.00 0.00 ATOM 189 CA ARG 23 -10.457 7.215 5.493 1.00 0.00 ATOM 190 CB ARG 23 -11.549 7.427 4.447 1.00 0.00 ATOM 191 CG ARG 23 -12.861 7.929 5.026 1.00 0.00 ATOM 192 CD ARG 23 -12.949 9.449 4.996 1.00 0.00 ATOM 193 NE ARG 23 -11.973 10.104 5.868 1.00 0.00 ATOM 194 CZ ARG 23 -11.559 11.363 5.703 1.00 0.00 ATOM 195 NH1 ARG 23 -12.008 12.093 4.688 1.00 0.00 ATOM 196 NH2 ARG 23 -10.709 11.904 6.565 1.00 0.00 ATOM 197 O ARG 23 -10.393 4.852 5.873 1.00 0.00 ATOM 198 C ARG 23 -10.744 5.957 6.295 1.00 0.00 ATOM 199 N ASN 24 -11.375 6.123 7.444 1.00 0.00 ATOM 200 CA ASN 24 -11.631 5.002 8.339 1.00 0.00 ATOM 201 CB ASN 24 -11.486 5.433 9.802 1.00 0.00 ATOM 202 CG ASN 24 -11.712 4.288 10.777 1.00 0.00 ATOM 203 ND2 ASN 24 -12.939 4.151 11.257 1.00 0.00 ATOM 204 OD1 ASN 24 -10.789 3.543 11.104 1.00 0.00 ATOM 205 O ASN 24 -14.031 5.053 8.409 1.00 0.00 ATOM 206 C ASN 24 -13.018 4.424 8.101 1.00 0.00 ATOM 207 N ASP 25 -13.050 3.224 7.542 1.00 0.00 ATOM 208 CA ASP 25 -14.304 2.520 7.287 1.00 0.00 ATOM 209 CB ASP 25 -14.096 1.433 6.226 1.00 0.00 ATOM 210 CG ASP 25 -15.237 0.430 6.167 1.00 0.00 ATOM 211 OD1 ASP 25 -16.194 0.646 5.391 1.00 0.00 ATOM 212 OD2 ASP 25 -15.177 -0.588 6.891 1.00 0.00 ATOM 213 O ASP 25 -16.022 1.885 8.836 1.00 0.00 ATOM 214 C ASP 25 -14.822 1.882 8.564 1.00 0.00 ATOM 215 N GLY 26 -13.901 1.344 9.348 1.00 0.00 ATOM 216 CA GLY 26 -14.273 0.592 10.528 1.00 0.00 ATOM 217 O GLY 26 -13.193 -1.312 11.480 1.00 0.00 ATOM 218 C GLY 26 -13.699 -0.804 10.483 1.00 0.00 ATOM 219 N ASN 27 -13.769 -1.419 9.307 1.00 0.00 ATOM 220 CA ASN 27 -13.141 -2.717 9.078 1.00 0.00 ATOM 221 CB ASN 27 -13.947 -3.527 8.048 1.00 0.00 ATOM 222 CG ASN 27 -13.389 -4.926 7.812 1.00 0.00 ATOM 223 ND2 ASN 27 -12.610 -5.096 6.749 1.00 0.00 ATOM 224 OD1 ASN 27 -13.678 -5.856 8.568 1.00 0.00 ATOM 225 O ASN 27 -10.926 -3.435 8.447 1.00 0.00 ATOM 226 C ASN 27 -11.707 -2.499 8.603 1.00 0.00 ATOM 227 N GLY 28 -11.379 -1.238 8.383 1.00 0.00 ATOM 228 CA GLY 28 -10.052 -0.865 7.952 1.00 0.00 ATOM 229 O GLY 28 -11.008 1.284 7.559 1.00 0.00 ATOM 230 C GLY 28 -10.005 0.574 7.490 1.00 0.00 ATOM 231 N SER 29 -8.845 1.010 7.032 1.00 0.00 ATOM 232 CA SER 29 -8.691 2.349 6.491 1.00 0.00 ATOM 233 CB SER 29 -7.695 3.148 7.332 1.00 0.00 ATOM 234 OG SER 29 -8.082 3.150 8.695 1.00 0.00 ATOM 235 O SER 29 -7.277 1.528 4.746 1.00 0.00 ATOM 236 C SER 29 -8.223 2.261 5.046 1.00 0.00 ATOM 237 N TYR 30 -8.895 2.985 4.156 1.00 0.00 ATOM 238 CA TYR 30 -8.591 2.913 2.731 1.00 0.00 ATOM 239 CB TYR 30 -9.749 2.256 1.968 1.00 0.00 ATOM 240 CG TYR 30 -11.071 2.991 2.054 1.00 0.00 ATOM 241 CD1 TYR 30 -11.487 3.830 1.026 1.00 0.00 ATOM 242 CD2 TYR 30 -11.911 2.832 3.150 1.00 0.00 ATOM 243 CE1 TYR 30 -12.699 4.484 1.086 1.00 0.00 ATOM 244 CE2 TYR 30 -13.126 3.488 3.218 1.00 0.00 ATOM 245 CZ TYR 30 -13.514 4.313 2.185 1.00 0.00 ATOM 246 OH TYR 30 -14.726 4.958 2.237 1.00 0.00 ATOM 247 O TYR 30 -8.306 5.295 2.884 1.00 0.00 ATOM 248 C TYR 30 -8.277 4.295 2.162 1.00 0.00 ATOM 249 N ILE 31 -7.990 4.343 0.866 1.00 0.00 ATOM 250 CA ILE 31 -7.546 5.568 0.219 1.00 0.00 ATOM 251 CB ILE 31 -6.674 5.263 -1.019 1.00 0.00 ATOM 252 CG1 ILE 31 -5.531 4.319 -0.639 1.00 0.00 ATOM 253 CG2 ILE 31 -6.128 6.551 -1.618 1.00 0.00 ATOM 254 CD1 ILE 31 -4.697 3.870 -1.818 1.00 0.00 ATOM 255 O ILE 31 -9.593 6.012 -0.974 1.00 0.00 ATOM 256 C ILE 31 -8.727 6.436 -0.203 1.00 0.00 ATOM 257 N GLU 32 -8.752 7.653 0.314 1.00 0.00 ATOM 258 CA GLU 32 -9.771 8.623 -0.042 1.00 0.00 ATOM 259 CB GLU 32 -10.177 9.421 1.209 1.00 0.00 ATOM 260 CG GLU 32 -11.537 10.105 1.122 1.00 0.00 ATOM 261 CD GLU 32 -11.582 11.239 0.119 1.00 0.00 ATOM 262 OE1 GLU 32 -12.405 11.178 -0.817 1.00 0.00 ATOM 263 OE2 GLU 32 -10.799 12.199 0.269 1.00 0.00 ATOM 264 O GLU 32 -9.780 9.630 -2.231 1.00 0.00 ATOM 265 C GLU 32 -9.228 9.550 -1.133 1.00 0.00 ATOM 266 N LYS 33 -8.125 10.222 -0.828 1.00 0.00 ATOM 267 CA LYS 33 -7.517 11.170 -1.742 1.00 0.00 ATOM 268 CB LYS 33 -7.352 12.506 -1.031 1.00 0.00 ATOM 269 CG LYS 33 -6.835 13.621 -1.910 1.00 0.00 ATOM 270 CD LYS 33 -6.025 14.615 -1.112 1.00 0.00 ATOM 271 CE LYS 33 -6.713 15.028 0.178 1.00 0.00 ATOM 272 NZ LYS 33 -7.978 15.776 -0.057 1.00 0.00 ATOM 273 O LYS 33 -5.385 10.127 -1.401 1.00 0.00 ATOM 274 C LYS 33 -6.156 10.658 -2.204 1.00 0.00 ATOM 275 N TRP 34 -5.860 10.824 -3.484 1.00 0.00 ATOM 276 CA TRP 34 -4.612 10.331 -4.054 1.00 0.00 ATOM 277 CB TRP 34 -4.924 9.188 -5.031 1.00 0.00 ATOM 278 CG TRP 34 -3.724 8.452 -5.551 1.00 0.00 ATOM 279 CD1 TRP 34 -3.194 8.531 -6.806 1.00 0.00 ATOM 280 CD2 TRP 34 -2.923 7.500 -4.838 1.00 0.00 ATOM 281 CE2 TRP 34 -1.929 7.044 -5.726 1.00 0.00 ATOM 282 CE3 TRP 34 -2.948 6.989 -3.537 1.00 0.00 ATOM 283 NE1 TRP 34 -2.119 7.685 -6.920 1.00 0.00 ATOM 284 CZ2 TRP 34 -0.972 6.104 -5.352 1.00 0.00 ATOM 285 CZ3 TRP 34 -1.998 6.056 -3.169 1.00 0.00 ATOM 286 CH2 TRP 34 -1.023 5.620 -4.075 1.00 0.00 ATOM 287 O TRP 34 -4.331 11.974 -5.784 1.00 0.00 ATOM 288 C TRP 34 -3.867 11.463 -4.763 1.00 0.00 ATOM 289 N ASN 35 -2.720 11.866 -4.213 1.00 0.00 ATOM 290 CA ASN 35 -1.935 12.960 -4.793 1.00 0.00 ATOM 291 CB ASN 35 -1.734 14.095 -3.780 1.00 0.00 ATOM 292 CG ASN 35 -2.998 14.889 -3.512 1.00 0.00 ATOM 293 ND2 ASN 35 -3.063 15.528 -2.351 1.00 0.00 ATOM 294 OD1 ASN 35 -3.901 14.952 -4.349 1.00 0.00 ATOM 295 O ASN 35 0.305 13.276 -5.607 1.00 0.00 ATOM 296 C ASN 35 -0.573 12.474 -5.272 1.00 0.00 ATOM 297 N LEU 36 -0.397 11.165 -5.310 1.00 0.00 ATOM 298 CA LEU 36 0.868 10.580 -5.729 1.00 0.00 ATOM 299 CB LEU 36 1.096 9.237 -5.028 1.00 0.00 ATOM 300 CG LEU 36 1.461 9.329 -3.549 1.00 0.00 ATOM 301 CD1 LEU 36 1.550 7.940 -2.938 1.00 0.00 ATOM 302 CD2 LEU 36 2.777 10.073 -3.373 1.00 0.00 ATOM 303 O LEU 36 -0.103 10.080 -7.864 1.00 0.00 ATOM 304 C LEU 36 0.911 10.390 -7.236 1.00 0.00 ATOM 305 N ARG 37 2.089 10.584 -7.812 1.00 0.00 ATOM 306 CA ARG 37 2.291 10.319 -9.225 1.00 0.00 ATOM 307 CB ARG 37 3.466 11.122 -9.786 1.00 0.00 ATOM 308 CG ARG 37 3.207 12.615 -9.898 1.00 0.00 ATOM 309 CD ARG 37 4.303 13.295 -10.701 1.00 0.00 ATOM 310 NE ARG 37 4.433 12.706 -12.034 1.00 0.00 ATOM 311 CZ ARG 37 5.593 12.531 -12.671 1.00 0.00 ATOM 312 NH1 ARG 37 6.729 12.952 -12.125 1.00 0.00 ATOM 313 NH2 ARG 37 5.608 11.939 -13.855 1.00 0.00 ATOM 314 O ARG 37 3.603 8.409 -9.858 1.00 0.00 ATOM 315 C ARG 37 2.528 8.832 -9.442 1.00 0.00 ATOM 316 N ALA 38 1.526 8.046 -9.111 1.00 0.00 ATOM 317 CA ALA 38 1.589 6.610 -9.271 1.00 0.00 ATOM 318 CB ALA 38 2.104 5.959 -7.999 1.00 0.00 ATOM 319 O ALA 38 -0.798 6.604 -9.155 1.00 0.00 ATOM 320 C ALA 38 0.213 6.077 -9.626 1.00 0.00 ATOM 321 N PRO 39 0.158 5.056 -10.486 1.00 0.00 ATOM 322 CA PRO 39 -1.100 4.413 -10.866 1.00 0.00 ATOM 323 CB PRO 39 -0.668 3.288 -11.815 1.00 0.00 ATOM 324 CG PRO 39 0.686 3.681 -12.295 1.00 0.00 ATOM 325 CD PRO 39 1.316 4.454 -11.171 1.00 0.00 ATOM 326 O PRO 39 -1.196 3.384 -8.699 1.00 0.00 ATOM 327 C PRO 39 -1.827 3.832 -9.658 1.00 0.00 ATOM 328 N LEU 40 -3.149 3.853 -9.707 1.00 0.00 ATOM 329 CA LEU 40 -3.959 3.297 -8.641 1.00 0.00 ATOM 330 CB LEU 40 -5.429 3.671 -8.830 1.00 0.00 ATOM 331 CG LEU 40 -5.858 5.012 -8.222 1.00 0.00 ATOM 332 CD1 LEU 40 -5.624 5.019 -6.718 1.00 0.00 ATOM 333 CD2 LEU 40 -5.120 6.171 -8.876 1.00 0.00 ATOM 334 O LEU 40 -4.113 1.090 -9.565 1.00 0.00 ATOM 335 C LEU 40 -3.804 1.784 -8.593 1.00 0.00 ATOM 336 N PRO 41 -3.306 1.257 -7.465 1.00 0.00 ATOM 337 CA PRO 41 -3.089 -0.177 -7.293 1.00 0.00 ATOM 338 CB PRO 41 -2.523 -0.310 -5.879 1.00 0.00 ATOM 339 CG PRO 41 -2.838 0.979 -5.197 1.00 0.00 ATOM 340 CD PRO 41 -2.902 2.022 -6.275 1.00 0.00 ATOM 341 O PRO 41 -5.454 -0.531 -7.043 1.00 0.00 ATOM 342 C PRO 41 -4.371 -0.980 -7.426 1.00 0.00 ATOM 343 N THR 42 -4.240 -2.172 -7.966 1.00 0.00 ATOM 344 CA THR 42 -5.388 -3.027 -8.205 1.00 0.00 ATOM 345 CB THR 42 -5.223 -3.819 -9.518 1.00 0.00 ATOM 346 CG2 THR 42 -5.512 -2.941 -10.725 1.00 0.00 ATOM 347 OG1 THR 42 -3.888 -4.345 -9.616 1.00 0.00 ATOM 348 O THR 42 -4.774 -4.047 -6.128 1.00 0.00 ATOM 349 C THR 42 -5.603 -3.980 -7.037 1.00 0.00 ATOM 350 N GLN 43 -6.720 -4.697 -7.058 1.00 0.00 ATOM 351 CA GLN 43 -7.060 -5.639 -5.996 1.00 0.00 ATOM 352 CB GLN 43 -8.337 -6.394 -6.358 1.00 0.00 ATOM 353 CG GLN 43 -8.861 -7.296 -5.249 1.00 0.00 ATOM 354 CD GLN 43 -9.101 -6.552 -3.946 1.00 0.00 ATOM 355 OE1 GLN 43 -10.187 -6.024 -3.709 1.00 0.00 ATOM 356 NE2 GLN 43 -8.097 -6.518 -3.082 1.00 0.00 ATOM 357 O GLN 43 -5.465 -6.807 -4.642 1.00 0.00 ATOM 358 C GLN 43 -5.926 -6.626 -5.770 1.00 0.00 ATOM 359 N ALA 44 -5.484 -7.246 -6.853 1.00 0.00 ATOM 360 CA ALA 44 -4.376 -8.195 -6.803 1.00 0.00 ATOM 361 CB ALA 44 -4.077 -8.721 -8.197 1.00 0.00 ATOM 362 O ALA 44 -2.447 -8.168 -5.370 1.00 0.00 ATOM 363 C ALA 44 -3.127 -7.558 -6.193 1.00 0.00 ATOM 364 N GLU 45 -2.844 -6.320 -6.586 1.00 0.00 ATOM 365 CA GLU 45 -1.690 -5.591 -6.069 1.00 0.00 ATOM 366 CB GLU 45 -1.556 -4.254 -6.789 1.00 0.00 ATOM 367 CG GLU 45 -1.010 -4.380 -8.195 1.00 0.00 ATOM 368 CD GLU 45 -0.906 -3.045 -8.890 1.00 0.00 ATOM 369 OE1 GLU 45 -1.936 -2.563 -9.410 1.00 0.00 ATOM 370 OE2 GLU 45 0.204 -2.480 -8.927 1.00 0.00 ATOM 371 O GLU 45 -0.892 -5.669 -3.805 1.00 0.00 ATOM 372 C GLU 45 -1.814 -5.369 -4.566 1.00 0.00 ATOM 373 N LEU 46 -2.969 -4.859 -4.147 1.00 0.00 ATOM 374 CA LEU 46 -3.235 -4.595 -2.744 1.00 0.00 ATOM 375 CB LEU 46 -4.644 -4.017 -2.586 1.00 0.00 ATOM 376 CG LEU 46 -4.889 -2.699 -3.320 1.00 0.00 ATOM 377 CD1 LEU 46 -6.332 -2.260 -3.143 1.00 0.00 ATOM 378 CD2 LEU 46 -3.936 -1.624 -2.817 1.00 0.00 ATOM 379 O LEU 46 -2.479 -5.870 -0.854 1.00 0.00 ATOM 380 C LEU 46 -3.094 -5.870 -1.920 1.00 0.00 ATOM 381 N GLU 47 -3.654 -6.958 -2.434 1.00 0.00 ATOM 382 CA GLU 47 -3.573 -8.242 -1.764 1.00 0.00 ATOM 383 CB GLU 47 -4.451 -9.276 -2.459 1.00 0.00 ATOM 384 CG GLU 47 -5.932 -9.011 -2.293 1.00 0.00 ATOM 385 CD GLU 47 -6.779 -10.123 -2.865 1.00 0.00 ATOM 386 OE1 GLU 47 -7.004 -11.124 -2.148 1.00 0.00 ATOM 387 OE2 GLU 47 -7.221 -10.006 -4.022 1.00 0.00 ATOM 388 O GLU 47 -1.694 -9.206 -0.667 1.00 0.00 ATOM 389 C GLU 47 -2.136 -8.739 -1.704 1.00 0.00 ATOM 390 N THR 48 -1.410 -8.619 -2.810 1.00 0.00 ATOM 391 CA THR 48 -0.028 -9.090 -2.877 1.00 0.00 ATOM 392 CB THR 48 0.564 -8.873 -4.286 1.00 0.00 ATOM 393 CG2 THR 48 2.027 -9.293 -4.349 1.00 0.00 ATOM 394 OG1 THR 48 -0.188 -9.625 -5.244 1.00 0.00 ATOM 395 O THR 48 1.649 -9.060 -1.163 1.00 0.00 ATOM 396 C THR 48 0.853 -8.403 -1.834 1.00 0.00 ATOM 397 N TRP 49 0.702 -7.091 -1.684 1.00 0.00 ATOM 398 CA TRP 49 1.467 -6.354 -0.683 1.00 0.00 ATOM 399 CB TRP 49 1.187 -4.850 -0.769 1.00 0.00 ATOM 400 CG TRP 49 1.642 -4.225 -2.054 1.00 0.00 ATOM 401 CD1 TRP 49 2.612 -4.690 -2.895 1.00 0.00 ATOM 402 CD2 TRP 49 1.160 -3.008 -2.635 1.00 0.00 ATOM 403 CE2 TRP 49 1.874 -2.805 -3.832 1.00 0.00 ATOM 404 CE3 TRP 49 0.191 -2.073 -2.263 1.00 0.00 ATOM 405 NE1 TRP 49 2.753 -3.845 -3.967 1.00 0.00 ATOM 406 CZ2 TRP 49 1.650 -1.708 -4.657 1.00 0.00 ATOM 407 CZ3 TRP 49 -0.031 -0.983 -3.083 1.00 0.00 ATOM 408 CH2 TRP 49 0.696 -0.808 -4.268 1.00 0.00 ATOM 409 O TRP 49 2.037 -7.031 1.544 1.00 0.00 ATOM 410 C TRP 49 1.146 -6.869 0.714 1.00 0.00 ATOM 411 N TRP 50 -0.129 -7.146 0.951 1.00 0.00 ATOM 412 CA TRP 50 -0.579 -7.701 2.223 1.00 0.00 ATOM 413 CB TRP 50 -2.114 -7.711 2.258 1.00 0.00 ATOM 414 CG TRP 50 -2.706 -8.156 3.565 1.00 0.00 ATOM 415 CD1 TRP 50 -3.199 -9.395 3.864 1.00 0.00 ATOM 416 CD2 TRP 50 -2.868 -7.363 4.748 1.00 0.00 ATOM 417 CE2 TRP 50 -3.469 -8.183 5.722 1.00 0.00 ATOM 418 CE3 TRP 50 -2.567 -6.037 5.077 1.00 0.00 ATOM 419 NE1 TRP 50 -3.662 -9.418 5.157 1.00 0.00 ATOM 420 CZ2 TRP 50 -3.771 -7.721 7.002 1.00 0.00 ATOM 421 CZ3 TRP 50 -2.867 -5.581 6.349 1.00 0.00 ATOM 422 CH2 TRP 50 -3.464 -6.421 7.297 1.00 0.00 ATOM 423 O TRP 50 0.478 -9.465 3.472 1.00 0.00 ATOM 424 C TRP 50 -0.021 -9.111 2.408 1.00 0.00 ATOM 425 N GLU 51 -0.083 -9.902 1.349 1.00 0.00 ATOM 426 CA GLU 51 0.419 -11.256 1.361 1.00 0.00 ATOM 427 CB GLU 51 0.116 -11.915 0.018 1.00 0.00 ATOM 428 CG GLU 51 -1.367 -12.179 -0.209 1.00 0.00 ATOM 429 CD GLU 51 -1.665 -12.770 -1.571 1.00 0.00 ATOM 430 OE1 GLU 51 -1.170 -12.229 -2.582 1.00 0.00 ATOM 431 OE2 GLU 51 -2.426 -13.759 -1.638 1.00 0.00 ATOM 432 O GLU 51 2.395 -12.098 2.424 1.00 0.00 ATOM 433 C GLU 51 1.918 -11.278 1.646 1.00 0.00 ATOM 434 N GLU 52 2.652 -10.365 1.028 1.00 0.00 ATOM 435 CA GLU 52 4.093 -10.298 1.213 1.00 0.00 ATOM 436 CB GLU 52 4.742 -9.484 0.095 1.00 0.00 ATOM 437 CG GLU 52 4.727 -10.197 -1.246 1.00 0.00 ATOM 438 CD GLU 52 5.556 -9.491 -2.302 1.00 0.00 ATOM 439 OE1 GLU 52 6.767 -9.786 -2.399 1.00 0.00 ATOM 440 OE2 GLU 52 5.009 -8.648 -3.041 1.00 0.00 ATOM 441 O GLU 52 5.490 -10.076 3.150 1.00 0.00 ATOM 442 C GLU 52 4.463 -9.717 2.578 1.00 0.00 ATOM 443 N LEU 53 3.624 -8.828 3.095 1.00 0.00 ATOM 444 CA LEU 53 3.877 -8.190 4.381 1.00 0.00 ATOM 445 CB LEU 53 3.052 -6.906 4.500 1.00 0.00 ATOM 446 CG LEU 53 3.244 -6.119 5.799 1.00 0.00 ATOM 447 CD1 LEU 53 4.675 -5.614 5.910 1.00 0.00 ATOM 448 CD2 LEU 53 2.257 -4.964 5.875 1.00 0.00 ATOM 449 O LEU 53 4.267 -9.195 6.530 1.00 0.00 ATOM 450 C LEU 53 3.545 -9.132 5.534 1.00 0.00 ATOM 451 N GLN 54 2.459 -9.872 5.395 1.00 0.00 ATOM 452 CA GLN 54 2.005 -10.750 6.456 1.00 0.00 ATOM 453 CB GLN 54 0.489 -10.950 6.379 1.00 0.00 ATOM 454 CG GLN 54 -0.293 -10.042 7.324 1.00 0.00 ATOM 455 CD GLN 54 -0.041 -8.560 7.081 1.00 0.00 ATOM 456 OE1 GLN 54 0.194 -8.132 5.955 1.00 0.00 ATOM 457 NE2 GLN 54 -0.090 -7.764 8.138 1.00 0.00 ATOM 458 O GLN 54 2.795 -12.768 7.467 1.00 0.00 ATOM 459 C GLN 54 2.727 -12.094 6.438 1.00 0.00 ATOM 460 N LYS 55 3.269 -12.496 5.292 1.00 0.00 ATOM 461 CA LYS 55 4.030 -13.743 5.232 1.00 0.00 ATOM 462 CB LYS 55 3.940 -14.387 3.845 1.00 0.00 ATOM 463 CG LYS 55 4.502 -15.797 3.806 1.00 0.00 ATOM 464 CD LYS 55 4.668 -16.306 2.383 1.00 0.00 ATOM 465 CE LYS 55 5.342 -17.667 2.367 1.00 0.00 ATOM 466 NZ LYS 55 5.676 -18.120 0.991 1.00 0.00 ATOM 467 O LYS 55 6.235 -14.418 5.933 1.00 0.00 ATOM 468 C LYS 55 5.489 -13.493 5.598 1.00 0.00 ATOM 469 N ASN 56 5.874 -12.235 5.571 1.00 0.00 ATOM 470 CA ASN 56 7.238 -11.839 5.889 1.00 0.00 ATOM 471 CB ASN 56 8.016 -11.476 4.620 1.00 0.00 ATOM 472 CG ASN 56 9.424 -11.009 4.910 1.00 0.00 ATOM 473 ND2 ASN 56 9.588 -9.714 5.064 1.00 0.00 ATOM 474 OD1 ASN 56 10.355 -11.807 4.984 1.00 0.00 ATOM 475 O ASN 56 7.038 -9.517 6.430 1.00 0.00 ATOM 476 C ASN 56 7.235 -10.660 6.845 1.00 0.00 ATOM 477 N PRO 57 7.431 -10.927 8.140 1.00 0.00 ATOM 478 CA PRO 57 7.490 -9.877 9.152 1.00 0.00 ATOM 479 CB PRO 57 7.664 -10.643 10.469 1.00 0.00 ATOM 480 CG PRO 57 8.194 -11.979 10.074 1.00 0.00 ATOM 481 CD PRO 57 7.620 -12.269 8.717 1.00 0.00 ATOM 482 O PRO 57 9.812 -9.390 8.761 1.00 0.00 ATOM 483 C PRO 57 8.670 -8.939 8.910 1.00 0.00 ATOM 484 N PRO 58 8.406 -7.626 8.847 1.00 0.00 ATOM 485 CA PRO 58 9.448 -6.622 8.642 1.00 0.00 ATOM 486 CB PRO 58 8.697 -5.289 8.723 1.00 0.00 ATOM 487 CG PRO 58 7.271 -5.627 8.461 1.00 0.00 ATOM 488 CD PRO 58 7.070 -7.022 8.980 1.00 0.00 ATOM 489 O PRO 58 10.236 -7.075 10.866 1.00 0.00 ATOM 490 C PRO 58 10.517 -6.695 9.725 1.00 0.00 ATOM 491 N TYR 59 11.740 -6.341 9.371 1.00 0.00 ATOM 492 CA TYR 59 12.835 -6.375 10.320 1.00 0.00 ATOM 493 CB TYR 59 14.176 -6.508 9.610 1.00 0.00 ATOM 494 CG TYR 59 15.331 -6.791 10.544 1.00 0.00 ATOM 495 CD1 TYR 59 15.482 -8.045 11.122 1.00 0.00 ATOM 496 CD2 TYR 59 16.274 -5.815 10.839 1.00 0.00 ATOM 497 CE1 TYR 59 16.538 -8.320 11.968 1.00 0.00 ATOM 498 CE2 TYR 59 17.334 -6.081 11.687 1.00 0.00 ATOM 499 CZ TYR 59 17.462 -7.337 12.248 1.00 0.00 ATOM 500 OH TYR 59 18.523 -7.614 13.084 1.00 0.00 ATOM 501 O TYR 59 13.387 -4.095 10.826 1.00 0.00 ATOM 502 C TYR 59 12.797 -5.123 11.169 1.00 0.00 ATOM 503 N GLU 60 12.039 -5.215 12.241 1.00 0.00 ATOM 504 CA GLU 60 11.859 -4.118 13.173 1.00 0.00 ATOM 505 CB GLU 60 10.663 -4.403 14.083 1.00 0.00 ATOM 506 CG GLU 60 9.345 -4.519 13.333 1.00 0.00 ATOM 507 CD GLU 60 8.202 -4.962 14.220 1.00 0.00 ATOM 508 OE1 GLU 60 7.770 -6.129 14.107 1.00 0.00 ATOM 509 OE2 GLU 60 7.736 -4.151 15.047 1.00 0.00 ATOM 510 O GLU 60 13.561 -4.802 14.723 1.00 0.00 ATOM 511 C GLU 60 13.122 -3.907 13.999 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1044425014.pdb -s /var/tmp/to_scwrl_1044425014.seq -o /var/tmp/from_scwrl_1044425014.pdb > /var/tmp/scwrl_1044425014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1044425014.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 105 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -34.167 # GDT_score(maxd=8.000,maxw=2.900)= -33.103 # GDT_score(maxd=8.000,maxw=3.200)= -32.066 # GDT_score(maxd=8.000,maxw=3.500)= -31.032 # GDT_score(maxd=10.000,maxw=3.800)= -33.218 # GDT_score(maxd=10.000,maxw=4.000)= -32.557 # GDT_score(maxd=10.000,maxw=4.200)= -31.955 # GDT_score(maxd=12.000,maxw=4.300)= -34.395 # GDT_score(maxd=12.000,maxw=4.500)= -33.738 # GDT_score(maxd=12.000,maxw=4.700)= -32.996 # GDT_score(maxd=14.000,maxw=5.200)= -33.701 # GDT_score(maxd=14.000,maxw=5.500)= -32.499 # command:# request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1646774166.pdb -s /var/tmp/to_scwrl_1646774166.seq -o /var/tmp/from_scwrl_1646774166.pdb > /var/tmp/scwrl_1646774166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1646774166.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 114 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -30.833 # GDT_score(maxd=8.000,maxw=2.900)= -29.949 # GDT_score(maxd=8.000,maxw=3.200)= -29.173 # GDT_score(maxd=8.000,maxw=3.500)= -28.529 # GDT_score(maxd=10.000,maxw=3.800)= -30.441 # GDT_score(maxd=10.000,maxw=4.000)= -30.002 # GDT_score(maxd=10.000,maxw=4.200)= -29.593 # GDT_score(maxd=12.000,maxw=4.300)= -31.886 # GDT_score(maxd=12.000,maxw=4.500)= -31.407 # GDT_score(maxd=12.000,maxw=4.700)= -30.887 # GDT_score(maxd=14.000,maxw=5.200)= -31.863 # GDT_score(maxd=14.000,maxw=5.500)= -30.903 # command:# request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_535813031.pdb -s /var/tmp/to_scwrl_535813031.seq -o /var/tmp/from_scwrl_535813031.pdb > /var/tmp/scwrl_535813031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535813031.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -36.667 # GDT_score(maxd=8.000,maxw=2.900)= -33.742 # GDT_score(maxd=8.000,maxw=3.200)= -32.922 # GDT_score(maxd=8.000,maxw=3.500)= -32.203 # GDT_score(maxd=10.000,maxw=3.800)= -35.011 # GDT_score(maxd=10.000,maxw=4.000)= -34.427 # GDT_score(maxd=10.000,maxw=4.200)= -33.894 # GDT_score(maxd=12.000,maxw=4.300)= -36.708 # GDT_score(maxd=12.000,maxw=4.500)= -36.096 # GDT_score(maxd=12.000,maxw=4.700)= -35.482 # GDT_score(maxd=14.000,maxw=5.200)= -36.637 # GDT_score(maxd=14.000,maxw=5.500)= -35.547 # command:# request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_991132586.pdb -s /var/tmp/to_scwrl_991132586.seq -o /var/tmp/from_scwrl_991132586.pdb > /var/tmp/scwrl_991132586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_991132586.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -36.667 # GDT_score(maxd=8.000,maxw=2.900)= -35.732 # GDT_score(maxd=8.000,maxw=3.200)= -35.195 # GDT_score(maxd=8.000,maxw=3.500)= -34.624 # GDT_score(maxd=10.000,maxw=3.800)= -36.072 # GDT_score(maxd=10.000,maxw=4.000)= -35.553 # GDT_score(maxd=10.000,maxw=4.200)= -34.964 # GDT_score(maxd=12.000,maxw=4.300)= -37.488 # GDT_score(maxd=12.000,maxw=4.500)= -36.824 # GDT_score(maxd=12.000,maxw=4.700)= -36.107 # GDT_score(maxd=14.000,maxw=5.200)= -37.060 # GDT_score(maxd=14.000,maxw=5.500)= -35.855 # command:# request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1860847448.pdb -s /var/tmp/to_scwrl_1860847448.seq -o /var/tmp/from_scwrl_1860847448.pdb > /var/tmp/scwrl_1860847448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1860847448.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 T0351.try1-opt2.pdb looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -36.667 # GDT_score(maxd=8.000,maxw=2.900)= -33.741 # GDT_score(maxd=8.000,maxw=3.200)= -32.922 # GDT_score(maxd=8.000,maxw=3.500)= -32.203 # GDT_score(maxd=10.000,maxw=3.800)= -35.011 # GDT_score(maxd=10.000,maxw=4.000)= -34.427 # GDT_score(maxd=10.000,maxw=4.200)= -33.895 # GDT_score(maxd=12.000,maxw=4.300)= -36.708 # GDT_score(maxd=12.000,maxw=4.500)= -36.097 # GDT_score(maxd=12.000,maxw=4.700)= -35.483 # GDT_score(maxd=14.000,maxw=5.200)= -36.637 # GDT_score(maxd=14.000,maxw=5.500)= -35.547 # command:# Prefix for output files set to # command:EXPDTA T0351.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0351.try1-opt2.pdb ATOM 1 N MET A 1 6.370 -7.565 8.101 1.00 0.00 ATOM 2 CA MET A 1 7.721 -7.244 8.649 1.00 0.00 ATOM 3 CB MET A 1 8.183 -5.868 8.162 1.00 0.00 ATOM 4 CG MET A 1 8.447 -5.795 6.667 1.00 0.00 ATOM 5 SD MET A 1 9.703 -6.968 6.124 1.00 0.00 ATOM 6 CE MET A 1 11.171 -6.261 6.868 1.00 0.00 ATOM 7 O MET A 1 6.740 -6.892 10.817 1.00 0.00 ATOM 8 C MET A 1 7.737 -7.218 10.180 1.00 0.00 ATOM 9 N ILE A 2 8.874 -7.597 10.771 1.00 0.00 ATOM 10 CA ILE A 2 9.090 -7.434 12.194 1.00 0.00 ATOM 11 CB ILE A 2 10.463 -7.984 12.625 1.00 0.00 ATOM 12 CG1 ILE A 2 10.493 -9.508 12.488 1.00 0.00 ATOM 13 CG2 ILE A 2 10.750 -7.625 14.073 1.00 0.00 ATOM 14 CD1 ILE A 2 11.875 -10.107 12.637 1.00 0.00 ATOM 15 O ILE A 2 8.486 -5.649 13.658 1.00 0.00 ATOM 16 C ILE A 2 9.037 -5.963 12.594 1.00 0.00 ATOM 17 N LEU A 3 9.551 -5.053 11.765 1.00 0.00 ATOM 18 CA LEU A 3 9.553 -3.642 12.083 1.00 0.00 ATOM 19 CB LEU A 3 10.744 -2.947 11.421 1.00 0.00 ATOM 20 CG LEU A 3 12.133 -3.406 11.870 1.00 0.00 ATOM 21 CD1 LEU A 3 13.217 -2.731 11.045 1.00 0.00 ATOM 22 CD2 LEU A 3 12.366 -3.062 13.334 1.00 0.00 ATOM 23 O LEU A 3 7.813 -2.048 12.360 1.00 0.00 ATOM 24 C LEU A 3 8.300 -2.916 11.619 1.00 0.00 ATOM 25 N TYR A 4 7.832 -3.169 10.412 1.00 0.00 ATOM 26 CA TYR A 4 6.689 -2.431 9.898 1.00 0.00 ATOM 27 CB TYR A 4 6.294 -2.788 8.521 1.00 0.00 ATOM 28 CG TYR A 4 7.301 -2.414 7.446 1.00 0.00 ATOM 29 CD1 TYR A 4 8.482 -1.713 7.737 1.00 0.00 ATOM 30 CD2 TYR A 4 7.069 -2.790 6.121 1.00 0.00 ATOM 31 CE1 TYR A 4 9.411 -1.401 6.720 1.00 0.00 ATOM 32 CE2 TYR A 4 7.981 -2.489 5.110 1.00 0.00 ATOM 33 CZ TYR A 4 9.145 -1.800 5.419 1.00 0.00 ATOM 34 OH TYR A 4 10.058 -1.566 4.434 1.00 0.00 ATOM 35 O TYR A 4 4.742 -1.798 11.154 1.00 0.00 ATOM 36 C TYR A 4 5.478 -2.710 10.793 1.00 0.00 ATOM 37 N ASP A 5 5.247 -3.975 11.129 1.00 0.00 ATOM 38 CA ASP A 5 4.113 -4.312 11.986 1.00 0.00 ATOM 39 CB ASP A 5 4.007 -5.821 12.199 1.00 0.00 ATOM 40 CG ASP A 5 3.661 -6.575 10.923 1.00 0.00 ATOM 41 OD1 ASP A 5 3.419 -5.924 9.885 1.00 0.00 ATOM 42 OD2 ASP A 5 3.630 -7.820 10.967 1.00 0.00 ATOM 43 O ASP A 5 3.218 -3.128 13.871 1.00 0.00 ATOM 44 C ASP A 5 4.220 -3.603 13.333 1.00 0.00 ATOM 45 N ALA A 6 5.425 -3.521 13.862 1.00 0.00 ATOM 46 CA ALA A 6 5.639 -2.850 15.144 1.00 0.00 ATOM 47 CB ALA A 6 7.054 -3.072 15.677 1.00 0.00 ATOM 48 O ALA A 6 4.811 -0.743 15.907 1.00 0.00 ATOM 49 C ALA A 6 5.376 -1.358 15.012 1.00 0.00 ATOM 50 N ILE A 7 5.805 -0.761 13.907 1.00 0.00 ATOM 51 CA ILE A 7 5.585 0.680 13.695 1.00 0.00 ATOM 52 CB ILE A 7 6.216 1.087 12.357 1.00 0.00 ATOM 53 CG1 ILE A 7 7.745 1.029 12.498 1.00 0.00 ATOM 54 CG2 ILE A 7 5.740 2.479 11.949 1.00 0.00 ATOM 55 CD1 ILE A 7 8.472 1.220 11.156 1.00 0.00 ATOM 56 O ILE A 7 3.609 1.903 14.299 1.00 0.00 ATOM 57 C ILE A 7 4.086 0.949 13.673 1.00 0.00 ATOM 58 N MET A 8 3.339 0.086 12.996 1.00 0.00 ATOM 59 CA MET A 8 1.888 0.227 12.942 1.00 0.00 ATOM 60 CB MET A 8 1.262 -0.735 11.977 1.00 0.00 ATOM 61 CG MET A 8 1.593 -0.427 10.535 1.00 0.00 ATOM 62 SD MET A 8 0.989 -1.758 9.473 1.00 0.00 ATOM 63 CE MET A 8 1.597 -1.207 7.900 1.00 0.00 ATOM 64 O MET A 8 0.200 0.595 14.604 1.00 0.00 ATOM 65 C MET A 8 1.245 0.012 14.307 1.00 0.00 ATOM 66 N TYR A 9 1.873 -0.824 15.129 1.00 0.00 ATOM 67 CA TYR A 9 1.354 -1.110 16.456 1.00 0.00 ATOM 68 CB TYR A 9 2.087 -2.325 17.016 1.00 0.00 ATOM 69 CG TYR A 9 1.795 -2.654 18.454 1.00 0.00 ATOM 70 CD1 TYR A 9 0.550 -3.095 18.869 1.00 0.00 ATOM 71 CD2 TYR A 9 2.795 -2.530 19.406 1.00 0.00 ATOM 72 CE1 TYR A 9 0.294 -3.392 20.192 1.00 0.00 ATOM 73 CE2 TYR A 9 2.555 -2.845 20.727 1.00 0.00 ATOM 74 CZ TYR A 9 1.304 -3.266 21.122 1.00 0.00 ATOM 75 OH TYR A 9 1.104 -3.599 22.445 1.00 0.00 ATOM 76 O TYR A 9 0.564 0.399 18.151 1.00 0.00 ATOM 77 C TYR A 9 1.488 0.086 17.397 1.00 0.00 ATOM 78 N LYS A 10 2.639 0.752 17.360 1.00 0.00 ATOM 79 CA LYS A 10 2.863 1.900 18.235 1.00 0.00 ATOM 80 CB LYS A 10 4.288 2.000 18.757 1.00 0.00 ATOM 81 CG LYS A 10 4.760 0.800 19.568 1.00 0.00 ATOM 82 CD LYS A 10 6.231 1.035 19.917 1.00 0.00 ATOM 83 CE LYS A 10 6.824 -0.234 20.478 1.00 0.00 ATOM 84 NZ LYS A 10 8.298 -0.116 20.682 1.00 0.00 ATOM 85 O LYS A 10 2.181 4.207 18.396 1.00 0.00 ATOM 86 C LYS A 10 2.352 3.234 17.664 1.00 0.00 ATOM 87 N TYR A 11 2.113 3.274 16.353 1.00 0.00 ATOM 88 CA TYR A 11 1.590 4.480 15.703 1.00 0.00 ATOM 89 CB TYR A 11 2.685 5.122 14.821 1.00 0.00 ATOM 90 CG TYR A 11 4.024 5.278 15.508 1.00 0.00 ATOM 91 CD1 TYR A 11 4.998 4.279 15.428 1.00 0.00 ATOM 92 CD2 TYR A 11 4.320 6.423 16.242 1.00 0.00 ATOM 93 CE1 TYR A 11 6.236 4.422 16.057 1.00 0.00 ATOM 94 CE2 TYR A 11 5.550 6.576 16.880 1.00 0.00 ATOM 95 CZ TYR A 11 6.505 5.575 16.784 1.00 0.00 ATOM 96 OH TYR A 11 7.724 5.739 17.409 1.00 0.00 ATOM 97 O TYR A 11 0.408 4.262 13.608 1.00 0.00 ATOM 98 C TYR A 11 0.365 4.145 14.832 1.00 0.00 ATOM 99 N PRO A 12 -0.745 3.742 15.466 1.00 0.00 ATOM 100 CA PRO A 12 -1.969 3.380 14.766 1.00 0.00 ATOM 101 CB PRO A 12 -2.957 3.058 15.866 1.00 0.00 ATOM 102 CG PRO A 12 -2.079 2.530 16.951 1.00 0.00 ATOM 103 CD PRO A 12 -0.848 3.418 16.899 1.00 0.00 ATOM 104 O PRO A 12 -3.115 4.083 12.779 1.00 0.00 ATOM 105 C PRO A 12 -2.547 4.424 13.819 1.00 0.00 ATOM 106 N ASN A 13 -2.426 5.751 14.221 1.00 0.00 ATOM 107 CA ASN A 13 -2.930 6.850 13.402 1.00 0.00 ATOM 108 CB ASN A 13 -2.672 8.221 14.031 1.00 0.00 ATOM 109 CG ASN A 13 -3.529 8.469 15.257 1.00 0.00 ATOM 110 ND2 ASN A 13 -3.107 9.414 16.090 1.00 0.00 ATOM 111 OD1 ASN A 13 -4.557 7.820 15.450 1.00 0.00 ATOM 112 O ASN A 13 -2.937 6.994 11.002 1.00 0.00 ATOM 113 C ASN A 13 -2.277 6.794 12.022 1.00 0.00 ATOM 114 N ALA A 14 -0.976 6.507 12.002 1.00 0.00 ATOM 115 CA ALA A 14 -0.246 6.412 10.731 1.00 0.00 ATOM 116 CB ALA A 14 1.235 6.258 10.983 1.00 0.00 ATOM 117 O ALA A 14 -0.766 5.309 8.653 1.00 0.00 ATOM 118 C ALA A 14 -0.744 5.223 9.893 1.00 0.00 ATOM 119 N VAL A 15 -1.152 4.141 10.547 1.00 0.00 ATOM 120 CA VAL A 15 -1.695 2.984 9.810 1.00 0.00 ATOM 121 CB VAL A 15 -1.878 1.835 10.767 1.00 0.00 ATOM 122 CG1 VAL A 15 -2.416 0.622 10.037 1.00 0.00 ATOM 123 CG2 VAL A 15 -0.550 1.504 11.395 1.00 0.00 ATOM 124 O VAL A 15 -3.090 3.143 7.841 1.00 0.00 ATOM 125 C VAL A 15 -2.941 3.457 9.038 1.00 0.00 ATOM 126 N SER A 16 -3.839 4.209 9.670 1.00 0.00 ATOM 127 CA SER A 16 -5.047 4.687 9.024 1.00 0.00 ATOM 128 CB SER A 16 -5.956 5.281 10.105 1.00 0.00 ATOM 129 OG SER A 16 -7.109 5.806 9.487 1.00 0.00 ATOM 130 O SER A 16 -5.346 5.619 6.806 1.00 0.00 ATOM 131 C SER A 16 -4.743 5.698 7.902 1.00 0.00 ATOM 132 N ARG A 17 -3.834 6.637 8.160 1.00 0.00 ATOM 133 CA ARG A 17 -3.471 7.659 7.152 1.00 0.00 ATOM 134 CB ARG A 17 -2.432 8.634 7.729 1.00 0.00 ATOM 135 CG ARG A 17 -3.005 9.584 8.715 1.00 0.00 ATOM 136 CD ARG A 17 -2.030 10.765 8.816 1.00 0.00 ATOM 137 NE ARG A 17 -0.691 10.399 9.245 1.00 0.00 ATOM 138 CZ ARG A 17 -0.322 10.457 10.536 1.00 0.00 ATOM 139 NH1 ARG A 17 -1.214 10.864 11.436 1.00 0.00 ATOM 140 NH2 ARG A 17 0.919 10.102 10.906 1.00 0.00 ATOM 141 O ARG A 17 -3.048 7.497 4.801 1.00 0.00 ATOM 142 C ARG A 17 -2.858 6.993 5.941 1.00 0.00 ATOM 143 N LYS A 18 -2.003 5.904 6.091 1.00 0.00 ATOM 144 CA LYS A 18 -1.311 5.270 4.975 1.00 0.00 ATOM 145 CB LYS A 18 -0.317 4.225 5.484 1.00 0.00 ATOM 146 CG LYS A 18 0.892 4.812 6.194 1.00 0.00 ATOM 147 CD LYS A 18 1.832 3.721 6.679 1.00 0.00 ATOM 148 CE LYS A 18 3.041 4.308 7.388 1.00 0.00 ATOM 149 NZ LYS A 18 3.958 3.249 7.893 1.00 0.00 ATOM 150 O LYS A 18 -2.418 4.896 2.879 1.00 0.00 ATOM 151 C LYS A 18 -2.401 4.662 4.087 1.00 0.00 ATOM 152 N ASP A 19 -3.375 4.003 4.687 1.00 0.00 ATOM 153 CA ASP A 19 -4.448 3.387 3.914 1.00 0.00 ATOM 154 CB ASP A 19 -5.305 2.484 4.805 1.00 0.00 ATOM 155 CG ASP A 19 -4.671 1.130 5.051 1.00 0.00 ATOM 156 OD1 ASP A 19 -3.574 0.872 4.505 1.00 0.00 ATOM 157 OD2 ASP A 19 -5.279 0.323 5.787 1.00 0.00 ATOM 158 O ASP A 19 -5.718 4.351 2.102 1.00 0.00 ATOM 159 C ASP A 19 -5.325 4.474 3.264 1.00 0.00 ATOM 160 N PHE A 20 -5.650 5.673 4.018 1.00 0.00 ATOM 161 CA PHE A 20 -6.452 6.775 3.483 1.00 0.00 ATOM 162 CB PHE A 20 -6.815 7.704 4.683 1.00 0.00 ATOM 163 CG PHE A 20 -7.624 8.917 4.308 1.00 0.00 ATOM 164 CD1 PHE A 20 -8.978 8.807 3.996 1.00 0.00 ATOM 165 CD2 PHE A 20 -7.030 10.174 4.281 1.00 0.00 ATOM 166 CE1 PHE A 20 -9.730 9.941 3.664 1.00 0.00 ATOM 167 CE2 PHE A 20 -7.772 11.309 3.949 1.00 0.00 ATOM 168 CZ PHE A 20 -9.124 11.190 3.643 1.00 0.00 ATOM 169 O PHE A 20 -6.388 7.753 1.266 1.00 0.00 ATOM 170 C PHE A 20 -5.753 7.443 2.295 1.00 0.00 ATOM 171 N GLU A 21 -4.451 7.629 2.429 1.00 0.00 ATOM 172 CA GLU A 21 -3.643 8.231 1.360 1.00 0.00 ATOM 173 CB GLU A 21 -2.186 8.379 1.800 1.00 0.00 ATOM 174 CG GLU A 21 -1.960 9.457 2.845 1.00 0.00 ATOM 175 CD GLU A 21 -0.522 9.512 3.325 1.00 0.00 ATOM 176 OE1 GLU A 21 0.281 8.659 2.892 1.00 0.00 ATOM 177 OE2 GLU A 21 -0.199 10.407 4.135 1.00 0.00 ATOM 178 O GLU A 21 -3.579 7.940 -1.017 1.00 0.00 ATOM 179 C GLU A 21 -3.642 7.392 0.084 1.00 0.00 ATOM 180 N LEU A 22 -3.713 6.072 0.228 1.00 0.00 ATOM 181 CA LEU A 22 -3.718 5.186 -0.932 1.00 0.00 ATOM 182 CB LEU A 22 -3.729 3.723 -0.488 1.00 0.00 ATOM 183 CG LEU A 22 -2.449 3.206 0.173 1.00 0.00 ATOM 184 CD1 LEU A 22 -2.659 1.802 0.724 1.00 0.00 ATOM 185 CD2 LEU A 22 -1.309 3.155 -0.831 1.00 0.00 ATOM 186 O LEU A 22 -4.866 5.668 -2.988 1.00 0.00 ATOM 187 C LEU A 22 -4.954 5.449 -1.782 1.00 0.00 ATOM 188 N ARG A 23 -6.197 5.457 -1.097 1.00 0.00 ATOM 189 CA ARG A 23 -7.449 5.797 -1.762 1.00 0.00 ATOM 190 CB ARG A 23 -8.644 5.442 -0.923 1.00 0.00 ATOM 191 CG ARG A 23 -8.670 3.988 -0.496 1.00 0.00 ATOM 192 CD ARG A 23 -9.964 3.633 0.220 1.00 0.00 ATOM 193 NE ARG A 23 -9.961 2.242 0.666 1.00 0.00 ATOM 194 CZ ARG A 23 -11.055 1.538 0.931 1.00 0.00 ATOM 195 NH1 ARG A 23 -12.254 2.092 0.801 1.00 0.00 ATOM 196 NH2 ARG A 23 -10.952 0.275 1.322 1.00 0.00 ATOM 197 O ARG A 23 -8.090 7.591 -3.221 1.00 0.00 ATOM 198 C ARG A 23 -7.535 7.266 -2.171 1.00 0.00 ATOM 199 N ASN A 24 -6.989 8.150 -1.342 1.00 0.00 ATOM 200 CA ASN A 24 -6.998 9.582 -1.629 1.00 0.00 ATOM 201 CB ASN A 24 -6.898 10.396 -0.338 1.00 0.00 ATOM 202 CG ASN A 24 -7.058 11.885 -0.575 1.00 0.00 ATOM 203 ND2 ASN A 24 -6.576 12.688 0.368 1.00 0.00 ATOM 204 OD1 ASN A 24 -7.609 12.307 -1.592 1.00 0.00 ATOM 205 O ASN A 24 -4.819 10.498 -2.060 1.00 0.00 ATOM 206 C ASN A 24 -5.799 9.912 -2.518 1.00 0.00 ATOM 207 N ASP A 25 -5.862 9.456 -3.765 1.00 0.00 ATOM 208 CA ASP A 25 -4.784 9.646 -4.733 1.00 0.00 ATOM 209 CB ASP A 25 -5.244 9.238 -6.134 1.00 0.00 ATOM 210 CG ASP A 25 -5.373 7.736 -6.291 1.00 0.00 ATOM 211 OD1 ASP A 25 -4.891 7.002 -5.403 1.00 0.00 ATOM 212 OD2 ASP A 25 -5.954 7.292 -7.304 1.00 0.00 ATOM 213 O ASP A 25 -3.014 11.252 -4.842 1.00 0.00 ATOM 214 C ASP A 25 -4.228 11.057 -4.905 1.00 0.00 ATOM 215 N GLY A 26 -5.162 12.093 -5.139 1.00 0.00 ATOM 216 CA GLY A 26 -4.692 13.465 -5.314 1.00 0.00 ATOM 217 O GLY A 26 -4.011 15.333 -3.971 1.00 0.00 ATOM 218 C GLY A 26 -4.370 14.156 -3.994 1.00 0.00 ATOM 219 N ASN A 27 -4.492 13.409 -2.899 1.00 0.00 ATOM 220 CA ASN A 27 -4.196 13.947 -1.580 1.00 0.00 ATOM 221 CB ASN A 27 -2.708 14.291 -1.476 1.00 0.00 ATOM 222 CG ASN A 27 -1.823 13.060 -1.488 1.00 0.00 ATOM 223 ND2 ASN A 27 -0.584 13.228 -1.937 1.00 0.00 ATOM 224 OD1 ASN A 27 -2.250 11.974 -1.097 1.00 0.00 ATOM 225 O ASN A 27 -4.430 16.016 -0.414 1.00 0.00 ATOM 226 C ASN A 27 -4.938 15.211 -1.197 1.00 0.00 ATOM 227 N GLY A 28 -6.174 15.353 -1.670 1.00 0.00 ATOM 228 CA GLY A 28 -6.960 16.540 -1.358 1.00 0.00 ATOM 229 O GLY A 28 -8.606 17.199 0.274 1.00 0.00 ATOM 230 C GLY A 28 -7.748 16.380 -0.057 1.00 0.00 ATOM 231 N SER A 29 -7.324 15.340 0.825 1.00 0.00 ATOM 232 CA SER A 29 -8.003 15.119 2.091 1.00 0.00 ATOM 233 CB SER A 29 -8.328 16.454 2.765 1.00 0.00 ATOM 234 OG SER A 29 -9.351 17.142 2.065 1.00 0.00 ATOM 235 O SER A 29 -9.891 14.050 3.088 1.00 0.00 ATOM 236 C SER A 29 -9.316 14.360 2.044 1.00 0.00 ATOM 237 N TYR A 30 -9.798 14.059 0.845 1.00 0.00 ATOM 238 CA TYR A 30 -11.053 13.332 0.708 1.00 0.00 ATOM 239 CB TYR A 30 -12.164 14.281 0.255 1.00 0.00 ATOM 240 CG TYR A 30 -11.915 14.916 -1.094 1.00 0.00 ATOM 241 CD1 TYR A 30 -12.387 14.323 -2.258 1.00 0.00 ATOM 242 CD2 TYR A 30 -11.209 16.107 -1.200 1.00 0.00 ATOM 243 CE1 TYR A 30 -12.165 14.895 -3.496 1.00 0.00 ATOM 244 CE2 TYR A 30 -10.977 16.696 -2.430 1.00 0.00 ATOM 245 CZ TYR A 30 -11.463 16.078 -3.582 1.00 0.00 ATOM 246 OH TYR A 30 -11.239 16.651 -4.812 1.00 0.00 ATOM 247 O TYR A 30 -10.228 12.352 -1.313 1.00 0.00 ATOM 248 C TYR A 30 -10.934 12.217 -0.313 1.00 0.00 ATOM 249 N ILE A 31 -11.606 11.105 -0.038 1.00 0.00 ATOM 250 CA ILE A 31 -11.613 9.973 -0.953 1.00 0.00 ATOM 251 CB ILE A 31 -11.574 8.634 -0.195 1.00 0.00 ATOM 252 CG1 ILE A 31 -10.298 8.533 0.644 1.00 0.00 ATOM 253 CG2 ILE A 31 -11.601 7.467 -1.173 1.00 0.00 ATOM 254 CD1 ILE A 31 -10.281 7.350 1.587 1.00 0.00 ATOM 255 O ILE A 31 -13.941 10.538 -1.237 1.00 0.00 ATOM 256 C ILE A 31 -12.889 10.190 -1.782 1.00 0.00 ATOM 257 N GLU A 32 -12.768 10.091 -3.060 1.00 0.00 ATOM 258 CA GLU A 32 -13.903 10.298 -3.959 1.00 0.00 ATOM 259 CB GLU A 32 -13.602 11.269 -5.103 1.00 0.00 ATOM 260 CG GLU A 32 -12.504 10.802 -6.042 1.00 0.00 ATOM 261 CD GLU A 32 -12.272 11.762 -7.192 1.00 0.00 ATOM 262 OE1 GLU A 32 -13.151 11.856 -8.074 1.00 0.00 ATOM 263 OE2 GLU A 32 -11.211 12.421 -7.210 1.00 0.00 ATOM 264 O GLU A 32 -13.481 8.025 -4.633 1.00 0.00 ATOM 265 C GLU A 32 -14.248 8.993 -4.672 1.00 0.00 ATOM 266 N LYS A 33 -15.434 8.932 -5.235 1.00 0.00 ATOM 267 CA LYS A 33 -15.896 7.749 -5.945 1.00 0.00 ATOM 268 CB LYS A 33 -17.209 8.049 -6.670 1.00 0.00 ATOM 269 CG LYS A 33 -17.817 6.847 -7.374 1.00 0.00 ATOM 270 CD LYS A 33 -19.152 7.198 -8.012 1.00 0.00 ATOM 271 CE LYS A 33 -19.737 6.009 -8.757 1.00 0.00 ATOM 272 NZ LYS A 33 -21.034 6.345 -9.409 1.00 0.00 ATOM 273 O LYS A 33 -14.500 6.152 -7.091 1.00 0.00 ATOM 274 C LYS A 33 -14.853 7.335 -6.985 1.00 0.00 ATOM 275 N TRP A 34 -14.375 8.307 -7.722 1.00 0.00 ATOM 276 CA TRP A 34 -13.351 8.028 -8.752 1.00 0.00 ATOM 277 CB TRP A 34 -12.952 9.336 -9.437 1.00 0.00 ATOM 278 CG TRP A 34 -11.886 9.169 -10.476 1.00 0.00 ATOM 279 CD1 TRP A 34 -10.574 9.528 -10.369 1.00 0.00 ATOM 280 CD2 TRP A 34 -12.042 8.599 -11.782 1.00 0.00 ATOM 281 CE2 TRP A 34 -10.782 8.647 -12.409 1.00 0.00 ATOM 282 CE3 TRP A 34 -13.124 8.055 -12.481 1.00 0.00 ATOM 283 NE1 TRP A 34 -9.901 9.217 -11.526 1.00 0.00 ATOM 284 CZ2 TRP A 34 -10.573 8.168 -13.703 1.00 0.00 ATOM 285 CZ3 TRP A 34 -12.912 7.583 -13.763 1.00 0.00 ATOM 286 CH2 TRP A 34 -11.649 7.642 -14.363 1.00 0.00 ATOM 287 O TRP A 34 -11.578 6.416 -8.698 1.00 0.00 ATOM 288 C TRP A 34 -12.083 7.407 -8.174 1.00 0.00 ATOM 289 N ASN A 35 -11.574 7.982 -7.090 1.00 0.00 ATOM 290 CA ASN A 35 -10.365 7.459 -6.468 1.00 0.00 ATOM 291 CB ASN A 35 -9.932 8.355 -5.306 1.00 0.00 ATOM 292 CG ASN A 35 -9.341 9.671 -5.774 1.00 0.00 ATOM 293 ND2 ASN A 35 -9.317 10.656 -4.884 1.00 0.00 ATOM 294 OD1 ASN A 35 -8.913 9.798 -6.921 1.00 0.00 ATOM 295 O ASN A 35 -9.715 5.190 -6.031 1.00 0.00 ATOM 296 C ASN A 35 -10.591 6.053 -5.924 1.00 0.00 ATOM 297 N LEU A 36 -11.752 5.819 -5.320 1.00 0.00 ATOM 298 CA LEU A 36 -12.040 4.496 -4.787 1.00 0.00 ATOM 299 CB LEU A 36 -13.339 4.443 -4.013 1.00 0.00 ATOM 300 CG LEU A 36 -13.270 5.027 -2.597 1.00 0.00 ATOM 301 CD1 LEU A 36 -14.664 5.362 -2.098 1.00 0.00 ATOM 302 CD2 LEU A 36 -12.598 4.036 -1.648 1.00 0.00 ATOM 303 O LEU A 36 -11.695 2.329 -5.759 1.00 0.00 ATOM 304 C LEU A 36 -12.119 3.474 -5.917 1.00 0.00 ATOM 305 N ARG A 37 -12.623 3.901 -7.067 1.00 0.00 ATOM 306 CA ARG A 37 -12.725 3.008 -8.213 1.00 0.00 ATOM 307 CB ARG A 37 -13.671 3.735 -9.212 1.00 0.00 ATOM 308 CG ARG A 37 -14.180 2.794 -10.335 1.00 0.00 ATOM 309 CD ARG A 37 -13.484 3.151 -11.619 1.00 0.00 ATOM 310 NE ARG A 37 -14.048 2.479 -12.803 1.00 0.00 ATOM 311 CZ ARG A 37 -15.081 2.855 -13.541 1.00 0.00 ATOM 312 NH1 ARG A 37 -15.856 3.938 -13.352 1.00 0.00 ATOM 313 NH2 ARG A 37 -15.464 2.128 -14.611 1.00 0.00 ATOM 314 O ARG A 37 -11.115 1.522 -9.159 1.00 0.00 ATOM 315 C ARG A 37 -11.322 2.641 -8.691 1.00 0.00 ATOM 316 N ALA A 38 -10.285 3.568 -8.578 1.00 0.00 ATOM 317 CA ALA A 38 -8.907 3.266 -9.002 1.00 0.00 ATOM 318 CB ALA A 38 -8.037 4.510 -8.913 1.00 0.00 ATOM 319 O ALA A 38 -7.700 1.221 -8.561 1.00 0.00 ATOM 320 C ALA A 38 -8.272 2.202 -8.079 1.00 0.00 ATOM 321 N PRO A 39 -8.361 2.403 -6.782 1.00 0.00 ATOM 322 CA PRO A 39 -7.764 1.380 -5.906 1.00 0.00 ATOM 323 CB PRO A 39 -7.690 2.051 -4.564 1.00 0.00 ATOM 324 CG PRO A 39 -8.856 3.010 -4.592 1.00 0.00 ATOM 325 CD PRO A 39 -8.761 3.578 -5.973 1.00 0.00 ATOM 326 O PRO A 39 -7.937 -0.980 -5.697 1.00 0.00 ATOM 327 C PRO A 39 -8.529 0.062 -5.943 1.00 0.00 ATOM 328 N LEU A 40 -9.884 -0.003 -6.246 1.00 0.00 ATOM 329 CA LEU A 40 -10.703 -1.210 -6.245 1.00 0.00 ATOM 330 CB LEU A 40 -12.202 -0.918 -6.334 1.00 0.00 ATOM 331 CG LEU A 40 -12.845 -0.295 -5.094 1.00 0.00 ATOM 332 CD1 LEU A 40 -14.285 0.109 -5.381 1.00 0.00 ATOM 333 CD2 LEU A 40 -12.850 -1.282 -3.937 1.00 0.00 ATOM 334 O LEU A 40 -10.062 -3.268 -7.296 1.00 0.00 ATOM 335 C LEU A 40 -10.297 -2.071 -7.440 1.00 0.00 ATOM 336 N PRO A 41 -10.192 -1.501 -8.615 1.00 0.00 ATOM 337 CA PRO A 41 -9.790 -2.216 -9.837 1.00 0.00 ATOM 338 CB PRO A 41 -9.604 -1.098 -10.847 1.00 0.00 ATOM 339 CG PRO A 41 -10.669 -0.129 -10.451 1.00 0.00 ATOM 340 CD PRO A 41 -10.532 -0.091 -8.938 1.00 0.00 ATOM 341 O PRO A 41 -8.315 -4.086 -10.176 1.00 0.00 ATOM 342 C PRO A 41 -8.466 -2.975 -9.676 1.00 0.00 ATOM 343 N THR A 42 -7.513 -2.379 -8.979 1.00 0.00 ATOM 344 CA THR A 42 -6.203 -3.003 -8.799 1.00 0.00 ATOM 345 CB THR A 42 -5.069 -1.974 -8.957 1.00 0.00 ATOM 346 CG2 THR A 42 -5.015 -1.457 -10.386 1.00 0.00 ATOM 347 OG1 THR A 42 -5.296 -0.870 -8.073 1.00 0.00 ATOM 348 O THR A 42 -4.938 -3.648 -6.865 1.00 0.00 ATOM 349 C THR A 42 -6.033 -3.617 -7.413 1.00 0.00 ATOM 350 N GLN A 43 -7.144 -4.089 -6.858 1.00 0.00 ATOM 351 CA GLN A 43 -7.212 -4.735 -5.546 1.00 0.00 ATOM 352 CB GLN A 43 -8.586 -5.373 -5.334 1.00 0.00 ATOM 353 CG GLN A 43 -8.762 -6.029 -3.974 1.00 0.00 ATOM 354 CD GLN A 43 -10.142 -6.631 -3.792 1.00 0.00 ATOM 355 OE1 GLN A 43 -10.955 -6.633 -4.716 1.00 0.00 ATOM 356 NE2 GLN A 43 -10.409 -7.144 -2.596 1.00 0.00 ATOM 357 O GLN A 43 -5.585 -5.969 -4.379 1.00 0.00 ATOM 358 C GLN A 43 -6.205 -5.843 -5.419 1.00 0.00 ATOM 359 N ALA A 44 -6.033 -6.683 -6.452 1.00 0.00 ATOM 360 CA ALA A 44 -5.181 -7.851 -6.334 1.00 0.00 ATOM 361 CB ALA A 44 -5.272 -8.654 -7.622 1.00 0.00 ATOM 362 O ALA A 44 -3.001 -8.152 -5.334 1.00 0.00 ATOM 363 C ALA A 44 -3.709 -7.510 -6.115 1.00 0.00 ATOM 364 N GLU A 45 -3.248 -6.531 -6.841 1.00 0.00 ATOM 365 CA GLU A 45 -1.857 -6.090 -6.699 1.00 0.00 ATOM 366 CB GLU A 45 -1.505 -4.934 -7.637 1.00 0.00 ATOM 367 CG GLU A 45 -0.047 -4.505 -7.572 1.00 0.00 ATOM 368 CD GLU A 45 0.272 -3.380 -8.537 1.00 0.00 ATOM 369 OE1 GLU A 45 -0.643 -2.945 -9.266 1.00 0.00 ATOM 370 OE2 GLU A 45 1.438 -2.933 -8.563 1.00 0.00 ATOM 371 O GLU A 45 -0.575 -6.018 -4.667 1.00 0.00 ATOM 372 C GLU A 45 -1.571 -5.628 -5.269 1.00 0.00 ATOM 373 N LEU A 46 -2.456 -4.820 -4.721 1.00 0.00 ATOM 374 CA LEU A 46 -2.294 -4.340 -3.354 1.00 0.00 ATOM 375 CB LEU A 46 -3.394 -3.333 -3.011 1.00 0.00 ATOM 376 CG LEU A 46 -3.314 -1.976 -3.711 1.00 0.00 ATOM 377 CD1 LEU A 46 -4.560 -1.152 -3.431 1.00 0.00 ATOM 378 CD2 LEU A 46 -2.106 -1.191 -3.227 1.00 0.00 ATOM 379 O LEU A 46 -1.549 -5.607 -1.459 1.00 0.00 ATOM 380 C LEU A 46 -2.364 -5.506 -2.373 1.00 0.00 ATOM 381 N GLU A 47 -3.322 -6.393 -2.592 1.00 0.00 ATOM 382 CA GLU A 47 -3.484 -7.546 -1.717 1.00 0.00 ATOM 383 CB GLU A 47 -4.691 -8.391 -2.202 1.00 0.00 ATOM 384 CG GLU A 47 -6.006 -7.629 -2.292 1.00 0.00 ATOM 385 CD GLU A 47 -7.031 -8.109 -1.279 1.00 0.00 ATOM 386 OE1 GLU A 47 -7.173 -9.339 -1.118 1.00 0.00 ATOM 387 OE2 GLU A 47 -7.703 -7.257 -0.658 1.00 0.00 ATOM 388 O GLU A 47 -1.827 -8.929 -0.684 1.00 0.00 ATOM 389 C GLU A 47 -2.263 -8.457 -1.730 1.00 0.00 ATOM 390 N THR A 48 -1.698 -8.720 -2.902 1.00 0.00 ATOM 391 CA THR A 48 -0.517 -9.579 -2.951 1.00 0.00 ATOM 392 CB THR A 48 -0.093 -9.873 -4.402 1.00 0.00 ATOM 393 CG2 THR A 48 -1.213 -10.583 -5.149 1.00 0.00 ATOM 394 OG1 THR A 48 0.206 -8.644 -5.075 1.00 0.00 ATOM 395 O THR A 48 1.380 -9.513 -1.488 1.00 0.00 ATOM 396 C THR A 48 0.650 -8.881 -2.239 1.00 0.00 ATOM 397 N TRP A 49 0.777 -7.570 -2.416 1.00 0.00 ATOM 398 CA TRP A 49 1.829 -6.817 -1.740 1.00 0.00 ATOM 399 CB TRP A 49 1.713 -5.326 -2.063 1.00 0.00 ATOM 400 CG TRP A 49 2.719 -4.476 -1.348 1.00 0.00 ATOM 401 CD1 TRP A 49 2.496 -3.679 -0.264 1.00 0.00 ATOM 402 CD2 TRP A 49 4.110 -4.340 -1.669 1.00 0.00 ATOM 403 CE2 TRP A 49 4.666 -3.443 -0.735 1.00 0.00 ATOM 404 CE3 TRP A 49 4.938 -4.888 -2.654 1.00 0.00 ATOM 405 NE1 TRP A 49 3.660 -3.053 0.112 1.00 0.00 ATOM 406 CZ2 TRP A 49 6.012 -3.082 -0.758 1.00 0.00 ATOM 407 CZ3 TRP A 49 6.271 -4.527 -2.672 1.00 0.00 ATOM 408 CH2 TRP A 49 6.798 -3.634 -1.733 1.00 0.00 ATOM 409 O TRP A 49 2.703 -7.354 0.483 1.00 0.00 ATOM 410 C TRP A 49 1.736 -6.959 -0.199 1.00 0.00 ATOM 411 N TRP A 50 0.555 -6.664 0.345 1.00 0.00 ATOM 412 CA TRP A 50 0.315 -6.764 1.777 1.00 0.00 ATOM 413 CB TRP A 50 -1.124 -6.363 2.108 1.00 0.00 ATOM 414 CG TRP A 50 -1.363 -4.886 2.049 1.00 0.00 ATOM 415 CD1 TRP A 50 -2.081 -4.208 1.109 1.00 0.00 ATOM 416 CD2 TRP A 50 -0.881 -3.902 2.973 1.00 0.00 ATOM 417 CE2 TRP A 50 -1.346 -2.648 2.527 1.00 0.00 ATOM 418 CE3 TRP A 50 -0.101 -3.957 4.132 1.00 0.00 ATOM 419 NE1 TRP A 50 -2.079 -2.862 1.386 1.00 0.00 ATOM 420 CZ2 TRP A 50 -1.060 -1.462 3.200 1.00 0.00 ATOM 421 CZ3 TRP A 50 0.181 -2.778 4.795 1.00 0.00 ATOM 422 CH2 TRP A 50 -0.294 -1.547 4.331 1.00 0.00 ATOM 423 O TRP A 50 1.031 -8.487 3.330 1.00 0.00 ATOM 424 C TRP A 50 0.483 -8.220 2.258 1.00 0.00 ATOM 425 N GLU A 51 -0.016 -9.169 1.474 1.00 0.00 ATOM 426 CA GLU A 51 0.117 -10.569 1.815 1.00 0.00 ATOM 427 CB GLU A 51 -0.465 -11.438 0.699 1.00 0.00 ATOM 428 CG GLU A 51 -0.394 -12.931 0.974 1.00 0.00 ATOM 429 CD GLU A 51 -1.036 -13.757 -0.123 1.00 0.00 ATOM 430 OE1 GLU A 51 -1.557 -13.160 -1.087 1.00 0.00 ATOM 431 OE2 GLU A 51 -1.019 -15.002 -0.017 1.00 0.00 ATOM 432 O GLU A 51 1.966 -11.641 2.906 1.00 0.00 ATOM 433 C GLU A 51 1.585 -10.916 1.989 1.00 0.00 ATOM 434 N GLU A 52 2.411 -10.414 1.082 1.00 0.00 ATOM 435 CA GLU A 52 3.837 -10.681 1.150 1.00 0.00 ATOM 436 CB GLU A 52 4.544 -10.038 -0.058 1.00 0.00 ATOM 437 CG GLU A 52 6.055 -10.249 -0.114 1.00 0.00 ATOM 438 CD GLU A 52 6.453 -11.716 -0.114 1.00 0.00 ATOM 439 OE1 GLU A 52 5.806 -12.512 -0.823 1.00 0.00 ATOM 440 OE2 GLU A 52 7.425 -12.072 0.587 1.00 0.00 ATOM 441 O GLU A 52 5.278 -10.772 3.063 1.00 0.00 ATOM 442 C GLU A 52 4.468 -10.114 2.416 1.00 0.00 ATOM 443 N LEU A 53 4.105 -8.877 2.773 1.00 0.00 ATOM 444 CA LEU A 53 4.655 -8.240 3.963 1.00 0.00 ATOM 445 CB LEU A 53 4.119 -6.820 4.106 1.00 0.00 ATOM 446 CG LEU A 53 4.650 -5.835 3.039 1.00 0.00 ATOM 447 CD1 LEU A 53 3.920 -4.505 3.100 1.00 0.00 ATOM 448 CD2 LEU A 53 6.138 -5.628 3.187 1.00 0.00 ATOM 449 O LEU A 53 5.159 -9.209 6.124 1.00 0.00 ATOM 450 C LEU A 53 4.318 -9.050 5.239 1.00 0.00 ATOM 451 N GLN A 54 3.105 -9.557 5.317 1.00 0.00 ATOM 452 CA GLN A 54 2.692 -10.319 6.500 1.00 0.00 ATOM 453 CB GLN A 54 1.169 -10.457 6.525 1.00 0.00 ATOM 454 CG GLN A 54 0.432 -9.153 6.783 1.00 0.00 ATOM 455 CD GLN A 54 -1.075 -9.323 6.775 1.00 0.00 ATOM 456 OE1 GLN A 54 -1.582 -10.431 6.607 1.00 0.00 ATOM 457 NE2 GLN A 54 -1.794 -8.221 6.957 1.00 0.00 ATOM 458 O GLN A 54 3.755 -12.105 7.641 1.00 0.00 ATOM 459 C GLN A 54 3.374 -11.677 6.540 1.00 0.00 ATOM 460 N LYS A 55 3.518 -12.373 5.437 1.00 0.00 ATOM 461 CA LYS A 55 4.234 -13.645 5.443 1.00 0.00 ATOM 462 CB LYS A 55 4.089 -14.304 4.069 1.00 0.00 ATOM 463 CG LYS A 55 2.697 -14.890 3.870 1.00 0.00 ATOM 464 CD LYS A 55 2.582 -15.562 2.508 1.00 0.00 ATOM 465 CE LYS A 55 1.423 -16.550 2.495 1.00 0.00 ATOM 466 NZ LYS A 55 1.323 -17.213 1.160 1.00 0.00 ATOM 467 O LYS A 55 6.395 -14.298 6.281 1.00 0.00 ATOM 468 C LYS A 55 5.696 -13.407 5.807 1.00 0.00 ATOM 469 N ASN A 56 6.185 -12.187 5.540 1.00 0.00 ATOM 470 CA ASN A 56 7.521 -11.797 5.969 1.00 0.00 ATOM 471 CB ASN A 56 8.042 -10.602 5.169 1.00 0.00 ATOM 472 CG ASN A 56 9.511 -10.361 5.457 1.00 0.00 ATOM 473 ND2 ASN A 56 10.248 -9.952 4.430 1.00 0.00 ATOM 474 OD1 ASN A 56 9.991 -10.571 6.570 1.00 0.00 ATOM 475 O ASN A 56 6.744 -10.376 7.743 1.00 0.00 ATOM 476 C ASN A 56 7.381 -11.389 7.435 1.00 0.00 ATOM 477 N PRO A 57 7.975 -12.142 8.345 1.00 0.00 ATOM 478 CA PRO A 57 7.872 -11.877 9.767 1.00 0.00 ATOM 479 CB PRO A 57 8.624 -13.072 10.403 1.00 0.00 ATOM 480 CG PRO A 57 8.755 -14.029 9.377 1.00 0.00 ATOM 481 CD PRO A 57 8.573 -13.436 8.021 1.00 0.00 ATOM 482 O PRO A 57 8.036 -10.010 11.250 1.00 0.00 ATOM 483 C PRO A 57 8.424 -10.537 10.197 1.00 0.00 ATOM 484 N PRO A 58 5.216 -11.266 10.611 1.00 0.00 ATOM 485 CA PRO A 58 4.625 -12.331 11.444 1.00 0.00 ATOM 486 CB PRO A 58 5.824 -12.771 12.290 1.00 0.00 ATOM 487 CG PRO A 58 6.414 -11.439 12.634 1.00 0.00 ATOM 488 CD PRO A 58 6.379 -10.694 11.305 1.00 0.00 ATOM 489 O PRO A 58 3.064 -12.799 13.229 1.00 0.00 ATOM 490 C PRO A 58 3.532 -11.949 12.455 1.00 0.00 ATOM 491 N TYR A 59 3.136 -10.676 12.450 1.00 0.00 ATOM 492 CA TYR A 59 2.102 -10.171 13.355 1.00 0.00 ATOM 493 CB TYR A 59 2.613 -8.962 14.140 1.00 0.00 ATOM 494 CG TYR A 59 3.752 -9.280 15.083 1.00 0.00 ATOM 495 CD1 TYR A 59 5.072 -9.122 14.682 1.00 0.00 ATOM 496 CD2 TYR A 59 3.504 -9.737 16.370 1.00 0.00 ATOM 497 CE1 TYR A 59 6.120 -9.411 15.535 1.00 0.00 ATOM 498 CE2 TYR A 59 4.537 -10.030 17.238 1.00 0.00 ATOM 499 CZ TYR A 59 5.853 -9.863 16.810 1.00 0.00 ATOM 500 OH TYR A 59 6.895 -10.150 17.663 1.00 0.00 ATOM 501 O TYR A 59 0.918 -9.562 11.350 1.00 0.00 ATOM 502 C TYR A 59 0.864 -9.745 12.568 1.00 0.00 ATOM 503 N GLU A 60 -0.251 -9.572 13.271 1.00 0.00 ATOM 504 CA GLU A 60 -1.494 -9.163 12.630 1.00 0.00 ATOM 505 CB GLU A 60 -2.671 -10.194 13.227 1.00 0.00 ATOM 506 CG GLU A 60 -2.313 -11.633 13.577 1.00 0.00 ATOM 507 CD GLU A 60 -3.439 -12.366 14.289 1.00 0.00 ATOM 508 OE1 GLU A 60 -4.167 -11.725 15.082 1.00 0.00 ATOM 509 OE2 GLU A 60 -3.596 -13.585 14.054 1.00 0.00 ATOM 510 O GLU A 60 -2.887 -7.222 12.510 1.00 0.00 ATOM 511 C GLU A 60 -1.750 -7.645 12.652 1.00 0.00 ATOM 512 N PRO A 61 -0.708 -6.824 12.765 1.00 0.00 ATOM 513 CA PRO A 61 -0.908 -5.379 12.826 1.00 0.00 ATOM 514 CB PRO A 61 0.529 -4.847 12.952 1.00 0.00 ATOM 515 CG PRO A 61 1.240 -5.960 13.674 1.00 0.00 ATOM 516 CD PRO A 61 0.705 -7.185 12.967 1.00 0.00 ATOM 517 O PRO A 61 -2.451 -3.920 11.715 1.00 0.00 ATOM 518 C PRO A 61 -1.581 -4.778 11.589 1.00 0.00 ATOM 519 N PRO A 62 -1.124 -5.198 10.331 1.00 0.00 ATOM 520 CA PRO A 62 -1.757 -4.660 9.121 1.00 0.00 ATOM 521 CB PRO A 62 -1.022 -5.361 7.976 1.00 0.00 ATOM 522 CG PRO A 62 0.329 -5.664 8.531 1.00 0.00 ATOM 523 CD PRO A 62 0.114 -6.051 9.966 1.00 0.00 ATOM 524 O PRO A 62 -4.067 -4.096 8.778 1.00 0.00 ATOM 525 C PRO A 62 -3.259 -4.961 9.116 1.00 0.00 ATOM 526 N ASP A 63 -3.621 -6.178 9.485 1.00 0.00 ATOM 527 CA ASP A 63 -5.029 -6.576 9.526 1.00 0.00 ATOM 528 CB ASP A 63 -5.160 -8.048 9.920 1.00 0.00 ATOM 529 CG ASP A 63 -4.721 -8.989 8.814 1.00 0.00 ATOM 530 OD1 ASP A 63 -4.542 -8.519 7.671 1.00 0.00 ATOM 531 OD2 ASP A 63 -4.556 -10.195 9.092 1.00 0.00 ATOM 532 O ASP A 63 -6.888 -5.273 10.305 1.00 0.00 ATOM 533 C ASP A 63 -5.765 -5.720 10.547 1.00 0.00 ATOM 534 N GLN A 64 -5.136 -5.501 11.705 1.00 0.00 ATOM 535 CA GLN A 64 -5.750 -4.686 12.745 1.00 0.00 ATOM 536 CB GLN A 64 -4.836 -4.660 13.971 1.00 0.00 ATOM 537 CG GLN A 64 -4.755 -5.984 14.713 1.00 0.00 ATOM 538 CD GLN A 64 -3.741 -5.959 15.840 1.00 0.00 ATOM 539 OE1 GLN A 64 -3.030 -4.972 16.027 1.00 0.00 ATOM 540 NE2 GLN A 64 -3.672 -7.048 16.595 1.00 0.00 ATOM 541 O GLN A 64 -6.997 -2.644 12.547 1.00 0.00 ATOM 542 C GLN A 64 -5.947 -3.237 12.305 1.00 0.00 ATOM 543 N VAL A 65 -4.938 -2.675 11.643 1.00 0.00 ATOM 544 CA VAL A 65 -5.005 -1.294 11.174 1.00 0.00 ATOM 545 CB VAL A 65 -3.620 -0.899 10.542 1.00 0.00 ATOM 546 CG1 VAL A 65 -3.706 0.479 9.898 1.00 0.00 ATOM 547 CG2 VAL A 65 -2.533 -0.924 11.597 1.00 0.00 ATOM 548 O VAL A 65 -6.819 -0.121 10.140 1.00 0.00 ATOM 549 C VAL A 65 -6.093 -1.113 10.127 1.00 0.00 ATOM 550 N GLU A 66 -6.173 -2.045 9.192 1.00 0.00 ATOM 551 CA GLU A 66 -7.184 -1.980 8.145 1.00 0.00 ATOM 552 CB GLU A 66 -7.108 -3.218 7.251 1.00 0.00 ATOM 553 CG GLU A 66 -8.100 -3.214 6.099 1.00 0.00 ATOM 554 CD GLU A 66 -7.972 -4.438 5.214 1.00 0.00 ATOM 555 OE1 GLU A 66 -7.098 -5.285 5.496 1.00 0.00 ATOM 556 OE2 GLU A 66 -8.747 -4.552 4.241 1.00 0.00 ATOM 557 O GLU A 66 -9.376 -1.048 8.387 1.00 0.00 ATOM 558 C GLU A 66 -8.578 -1.905 8.752 1.00 0.00 ATOM 559 N LEU A 67 -8.847 -2.776 9.718 1.00 0.00 ATOM 560 CA LEU A 67 -10.154 -2.799 10.365 1.00 0.00 ATOM 561 CB LEU A 67 -10.265 -4.003 11.301 1.00 0.00 ATOM 562 CG LEU A 67 -10.315 -5.379 10.635 1.00 0.00 ATOM 563 CD1 LEU A 67 -10.244 -6.485 11.677 1.00 0.00 ATOM 564 CD2 LEU A 67 -11.606 -5.549 9.848 1.00 0.00 ATOM 565 O LEU A 67 -11.462 -0.919 11.064 1.00 0.00 ATOM 566 C LEU A 67 -10.405 -1.537 11.179 1.00 0.00 ATOM 567 N LEU A 68 -9.436 -1.131 11.982 1.00 0.00 ATOM 568 CA LEU A 68 -9.585 0.053 12.820 1.00 0.00 ATOM 569 CB LEU A 68 -8.376 0.208 13.746 1.00 0.00 ATOM 570 CG LEU A 68 -8.225 -0.846 14.846 1.00 0.00 ATOM 571 CD1 LEU A 68 -6.898 -0.679 15.570 1.00 0.00 ATOM 572 CD2 LEU A 68 -9.344 -0.720 15.868 1.00 0.00 ATOM 573 O LEU A 68 -10.620 2.126 12.181 1.00 0.00 ATOM 574 C LEU A 68 -9.721 1.311 11.967 1.00 0.00 ATOM 575 N ALA A 69 -8.839 1.465 10.991 1.00 0.00 ATOM 576 CA ALA A 69 -8.858 2.636 10.123 1.00 0.00 ATOM 577 CB ALA A 69 -7.622 2.648 9.237 1.00 0.00 ATOM 578 O ALA A 69 -10.654 3.798 9.042 1.00 0.00 ATOM 579 C ALA A 69 -10.117 2.716 9.271 1.00 0.00 ATOM 580 N GLN A 70 -10.583 1.571 8.778 1.00 0.00 ATOM 581 CA GLN A 70 -11.779 1.508 7.951 1.00 0.00 ATOM 582 CB GLN A 70 -12.060 0.071 7.507 1.00 0.00 ATOM 583 CG GLN A 70 -13.238 -0.065 6.556 1.00 0.00 ATOM 584 CD GLN A 70 -13.473 -1.498 6.122 1.00 0.00 ATOM 585 OE1 GLN A 70 -12.808 -2.419 6.597 1.00 0.00 ATOM 586 NE2 GLN A 70 -14.423 -1.692 5.215 1.00 0.00 ATOM 587 O GLN A 70 -13.704 2.923 8.199 1.00 0.00 ATOM 588 C GLN A 70 -13.000 2.042 8.691 1.00 0.00 ATOM 589 N GLU A 71 -13.258 1.458 9.857 1.00 0.00 ATOM 590 CA GLU A 71 -14.314 1.913 10.757 1.00 0.00 ATOM 591 CB GLU A 71 -14.223 1.185 12.100 1.00 0.00 ATOM 592 CG GLU A 71 -15.314 1.566 13.089 1.00 0.00 ATOM 593 CD GLU A 71 -15.210 0.801 14.393 1.00 0.00 ATOM 594 OE1 GLU A 71 -14.294 -0.039 14.518 1.00 0.00 ATOM 595 OE2 GLU A 71 -16.044 1.045 15.292 1.00 0.00 ATOM 596 O GLU A 71 -15.130 4.161 11.004 1.00 0.00 ATOM 597 C GLU A 71 -14.170 3.394 11.088 1.00 0.00 ATOM 598 N LEU A 72 -12.966 3.789 11.442 1.00 0.00 ATOM 599 CA LEU A 72 -12.675 5.174 11.788 1.00 0.00 ATOM 600 CB LEU A 72 -11.207 5.294 12.199 1.00 0.00 ATOM 601 CG LEU A 72 -10.732 6.687 12.620 1.00 0.00 ATOM 602 CD1 LEU A 72 -11.503 7.173 13.837 1.00 0.00 ATOM 603 CD2 LEU A 72 -9.252 6.667 12.972 1.00 0.00 ATOM 604 O LEU A 72 -13.649 7.154 10.777 1.00 0.00 ATOM 605 C LEU A 72 -12.991 6.114 10.651 1.00 0.00 ATOM 606 N SER A 73 -12.531 5.757 9.417 1.00 0.00 ATOM 607 CA SER A 73 -12.730 6.575 8.238 1.00 0.00 ATOM 608 CB SER A 73 -11.920 6.017 7.066 1.00 0.00 ATOM 609 OG SER A 73 -10.535 6.018 7.356 1.00 0.00 ATOM 610 O SER A 73 -14.646 7.856 7.561 1.00 0.00 ATOM 611 C SER A 73 -14.200 6.749 7.862 1.00 0.00 ATOM 612 N GLN A 74 -14.933 5.645 7.854 1.00 0.00 ATOM 613 CA GLN A 74 -16.352 5.690 7.513 1.00 0.00 ATOM 614 CB GLN A 74 -16.970 4.305 7.442 1.00 0.00 ATOM 615 CG GLN A 74 -18.480 4.280 7.199 1.00 0.00 ATOM 616 CD GLN A 74 -19.032 2.857 7.207 1.00 0.00 ATOM 617 OE1 GLN A 74 -18.353 1.873 7.525 1.00 0.00 ATOM 618 NE2 GLN A 74 -20.301 2.692 6.889 1.00 0.00 ATOM 619 O GLN A 74 -17.921 7.379 8.145 1.00 0.00 ATOM 620 C GLN A 74 -17.021 6.608 8.499 1.00 0.00 ATOM 621 N GLU A 75 -16.587 6.548 9.766 1.00 0.00 ATOM 622 CA GLU A 75 -17.125 7.432 10.791 1.00 0.00 ATOM 623 CB GLU A 75 -16.573 7.039 12.162 1.00 0.00 ATOM 624 CG GLU A 75 -17.132 5.735 12.707 1.00 0.00 ATOM 625 CD GLU A 75 -16.495 5.332 14.021 1.00 0.00 ATOM 626 OE1 GLU A 75 -15.573 6.040 14.477 1.00 0.00 ATOM 627 OE2 GLU A 75 -16.919 4.308 14.598 1.00 0.00 ATOM 628 O GLU A 75 -17.455 9.822 10.695 1.00 0.00 ATOM 629 C GLU A 75 -16.718 8.868 10.443 1.00 0.00 ATOM 630 N LYS A 76 -15.552 8.993 9.814 1.00 0.00 ATOM 631 CA LYS A 76 -14.982 10.288 9.442 1.00 0.00 ATOM 632 CB LYS A 76 -13.514 10.123 9.046 1.00 0.00 ATOM 633 CG LYS A 76 -12.810 11.430 8.714 1.00 0.00 ATOM 634 CD LYS A 76 -11.323 11.214 8.486 1.00 0.00 ATOM 635 CE LYS A 76 -10.609 12.529 8.217 1.00 0.00 ATOM 636 NZ LYS A 76 -9.145 12.337 8.025 1.00 0.00 ATOM 637 O LYS A 76 -15.951 12.159 8.288 1.00 0.00 ATOM 638 C LYS A 76 -15.697 10.952 8.263 1.00 0.00 ATOM 639 N LEU A 77 -15.961 10.178 7.218 1.00 0.00 ATOM 640 CA LEU A 77 -16.487 10.724 5.971 1.00 0.00 ATOM 641 CB LEU A 77 -16.410 9.683 4.852 1.00 0.00 ATOM 642 CG LEU A 77 -15.007 9.240 4.434 1.00 0.00 ATOM 643 CD1 LEU A 77 -15.080 8.122 3.405 1.00 0.00 ATOM 644 CD2 LEU A 77 -14.236 10.400 3.821 1.00 0.00 ATOM 645 O LEU A 77 -18.753 10.465 6.643 1.00 0.00 ATOM 646 C LEU A 77 -17.944 11.142 6.022 1.00 0.00 ATOM 647 N ALA A 78 -18.274 12.213 5.328 1.00 0.00 ATOM 648 CA ALA A 78 -19.674 12.669 5.318 1.00 0.00 ATOM 649 CB ALA A 78 -19.716 14.039 4.660 1.00 0.00 ATOM 650 O ALA A 78 -20.195 10.719 4.006 1.00 0.00 ATOM 651 C ALA A 78 -20.619 11.739 4.555 1.00 0.00 ATOM 652 N ARG A 79 -22.019 11.931 4.452 1.00 0.00 ATOM 653 CA ARG A 79 -23.019 11.098 3.788 1.00 0.00 ATOM 654 CB ARG A 79 -24.449 11.638 4.010 1.00 0.00 ATOM 655 CG ARG A 79 -25.507 10.746 3.313 1.00 0.00 ATOM 656 CD ARG A 79 -26.914 11.179 3.729 1.00 0.00 ATOM 657 NE ARG A 79 -27.902 10.294 3.112 1.00 0.00 ATOM 658 CZ ARG A 79 -28.234 9.074 3.464 1.00 0.00 ATOM 659 NH1 ARG A 79 -27.643 8.556 4.528 1.00 0.00 ATOM 660 NH2 ARG A 79 -29.162 8.359 2.799 1.00 0.00 ATOM 661 O ARG A 79 -23.045 9.887 1.738 1.00 0.00 ATOM 662 C ARG A 79 -22.776 10.947 2.288 1.00 0.00 ATOM 663 N LYS A 80 -22.262 12.012 1.654 1.00 0.00 ATOM 664 CA LYS A 80 -21.975 11.936 0.224 1.00 0.00 ATOM 665 CB LYS A 80 -21.479 13.296 -0.272 1.00 0.00 ATOM 666 CG LYS A 80 -22.547 14.378 -0.288 1.00 0.00 ATOM 667 CD LYS A 80 -21.988 15.698 -0.792 1.00 0.00 ATOM 668 CE LYS A 80 -23.051 16.786 -0.786 1.00 0.00 ATOM 669 NZ LYS A 80 -22.507 18.094 -1.245 1.00 0.00 ATOM 670 O LYS A 80 -21.117 9.999 -0.926 1.00 0.00 ATOM 671 C LYS A 80 -20.923 10.867 -0.058 1.00 0.00 ATOM 672 N GLN A 81 -19.813 10.916 0.676 1.00 0.00 ATOM 673 CA GLN A 81 -18.753 9.932 0.481 1.00 0.00 ATOM 674 CB GLN A 81 -17.500 10.375 1.239 1.00 0.00 ATOM 675 CG GLN A 81 -16.849 11.630 0.681 1.00 0.00 ATOM 676 CD GLN A 81 -17.653 12.882 0.970 1.00 0.00 ATOM 677 OE1 GLN A 81 -18.219 13.032 2.053 1.00 0.00 ATOM 678 NE2 GLN A 81 -17.707 13.787 -0.001 1.00 0.00 ATOM 679 O GLN A 81 -18.821 7.530 0.364 1.00 0.00 ATOM 680 C GLN A 81 -19.220 8.551 0.922 1.00 0.00 ATOM 681 N LEU A 82 -20.041 8.547 1.928 1.00 0.00 ATOM 682 CA LEU A 82 -20.563 7.284 2.445 1.00 0.00 ATOM 683 CB LEU A 82 -21.479 7.550 3.642 1.00 0.00 ATOM 684 CG LEU A 82 -20.800 8.055 4.915 1.00 0.00 ATOM 685 CD1 LEU A 82 -21.836 8.448 5.957 1.00 0.00 ATOM 686 CD2 LEU A 82 -19.909 6.979 5.514 1.00 0.00 ATOM 687 O LEU A 82 -21.244 5.349 1.192 1.00 0.00 ATOM 688 C LEU A 82 -21.351 6.564 1.355 1.00 0.00 ATOM 689 N GLU A 83 -22.126 7.337 0.598 1.00 0.00 ATOM 690 CA GLU A 83 -22.860 6.818 -0.548 1.00 0.00 ATOM 691 CB GLU A 83 -23.730 7.912 -1.167 1.00 0.00 ATOM 692 CG GLU A 83 -24.919 8.319 -0.311 1.00 0.00 ATOM 693 CD GLU A 83 -25.687 9.488 -0.896 1.00 0.00 ATOM 694 OE1 GLU A 83 -25.248 10.026 -1.934 1.00 0.00 ATOM 695 OE2 GLU A 83 -26.728 9.863 -0.319 1.00 0.00 ATOM 696 O GLU A 83 -22.091 5.232 -2.185 1.00 0.00 ATOM 697 C GLU A 83 -21.900 6.310 -1.621 1.00 0.00 ATOM 698 N GLU A 84 -20.851 7.089 -1.876 1.00 0.00 ATOM 699 CA GLU A 84 -19.856 6.742 -2.888 1.00 0.00 ATOM 700 CB GLU A 84 -18.796 7.838 -2.996 1.00 0.00 ATOM 701 CG GLU A 84 -19.307 9.140 -3.590 1.00 0.00 ATOM 702 CD GLU A 84 -18.225 10.197 -3.695 1.00 0.00 ATOM 703 OE1 GLU A 84 -17.538 10.446 -2.682 1.00 0.00 ATOM 704 OE2 GLU A 84 -18.065 10.777 -4.790 1.00 0.00 ATOM 705 O GLU A 84 -18.801 4.660 -3.410 1.00 0.00 ATOM 706 C GLU A 84 -19.159 5.441 -2.531 1.00 0.00 ATOM 707 N LEU A 85 -18.979 5.294 -1.250 1.00 0.00 ATOM 708 CA LEU A 85 -18.292 4.123 -0.733 1.00 0.00 ATOM 709 CB LEU A 85 -18.173 4.201 0.790 1.00 0.00 ATOM 710 CG LEU A 85 -17.482 3.021 1.477 1.00 0.00 ATOM 711 CD1 LEU A 85 -16.043 2.890 1.003 1.00 0.00 ATOM 712 CD2 LEU A 85 -17.471 3.208 2.987 1.00 0.00 ATOM 713 O LEU A 85 -18.469 1.860 -1.524 1.00 0.00 ATOM 714 C LEU A 85 -19.057 2.850 -1.093 1.00 0.00 ATOM 715 N ASN A 86 -20.374 2.891 -0.873 1.00 0.00 ATOM 716 CA ASN A 86 -21.199 1.748 -1.210 1.00 0.00 ATOM 717 CB ASN A 86 -22.672 2.045 -0.919 1.00 0.00 ATOM 718 CG ASN A 86 -22.981 2.062 0.565 1.00 0.00 ATOM 719 ND2 ASN A 86 -24.091 2.695 0.929 1.00 0.00 ATOM 720 OD1 ASN A 86 -22.232 1.513 1.371 1.00 0.00 ATOM 721 O ASN A 86 -20.947 0.261 -3.091 1.00 0.00 ATOM 722 C ASN A 86 -21.040 1.427 -2.693 1.00 0.00 ATOM 723 N LYS A 87 -20.999 2.474 -3.515 1.00 0.00 ATOM 724 CA LYS A 87 -20.839 2.313 -4.952 1.00 0.00 ATOM 725 CB LYS A 87 -20.951 3.667 -5.658 1.00 0.00 ATOM 726 CG LYS A 87 -22.351 4.257 -5.649 1.00 0.00 ATOM 727 CD LYS A 87 -22.388 5.599 -6.362 1.00 0.00 ATOM 728 CE LYS A 87 -23.783 6.202 -6.332 1.00 0.00 ATOM 729 NZ LYS A 87 -23.828 7.534 -6.999 1.00 0.00 ATOM 730 O LYS A 87 -19.409 0.756 -6.091 1.00 0.00 ATOM 731 C LYS A 87 -19.485 1.698 -5.301 1.00 0.00 ATOM 732 N THR A 88 -18.435 2.229 -4.695 1.00 0.00 ATOM 733 CA THR A 88 -17.085 1.739 -4.946 1.00 0.00 ATOM 734 CB THR A 88 -16.023 2.585 -4.220 1.00 0.00 ATOM 735 CG2 THR A 88 -16.064 4.025 -4.707 1.00 0.00 ATOM 736 OG1 THR A 88 -16.276 2.565 -2.810 1.00 0.00 ATOM 737 O THR A 88 -16.318 -0.538 -5.069 1.00 0.00 ATOM 738 C THR A 88 -16.933 0.316 -4.430 1.00 0.00 ATOM 739 N LEU A 89 -17.542 0.024 -3.277 1.00 0.00 ATOM 740 CA LEU A 89 -17.491 -1.311 -2.701 1.00 0.00 ATOM 741 CB LEU A 89 -18.189 -1.301 -1.340 1.00 0.00 ATOM 742 CG LEU A 89 -18.222 -2.632 -0.586 1.00 0.00 ATOM 743 CD1 LEU A 89 -16.813 -3.112 -0.280 1.00 0.00 ATOM 744 CD2 LEU A 89 -18.972 -2.485 0.729 1.00 0.00 ATOM 745 O LEU A 89 -17.658 -3.426 -3.826 1.00 0.00 ATOM 746 C LEU A 89 -18.184 -2.330 -3.597 1.00 0.00 ATOM 747 N GLY A 90 -19.351 -1.970 -4.126 1.00 0.00 ATOM 748 CA GLY A 90 -20.075 -2.861 -5.031 1.00 0.00 ATOM 749 O GLY A 90 -19.195 -4.186 -6.823 1.00 0.00 ATOM 750 C GLY A 90 -19.276 -3.074 -6.311 1.00 0.00 ATOM 751 N ASN A 91 -18.682 -2.004 -6.825 1.00 0.00 ATOM 752 CA ASN A 91 -17.892 -2.113 -8.035 1.00 0.00 ATOM 753 CB ASN A 91 -17.249 -0.767 -8.377 1.00 0.00 ATOM 754 CG ASN A 91 -18.253 0.239 -8.905 1.00 0.00 ATOM 755 ND2 ASN A 91 -17.891 1.516 -8.851 1.00 0.00 ATOM 756 OD1 ASN A 91 -19.339 -0.128 -9.352 1.00 0.00 ATOM 757 O ASN A 91 -16.494 -3.938 -8.726 1.00 0.00 ATOM 758 C ASN A 91 -16.770 -3.125 -7.847 1.00 0.00 ATOM 759 N GLU A 92 -16.110 -3.069 -6.657 1.00 0.00 ATOM 760 CA GLU A 92 -15.009 -3.981 -6.366 1.00 0.00 ATOM 761 CB GLU A 92 -14.451 -3.727 -4.964 1.00 0.00 ATOM 762 CG GLU A 92 -13.337 -4.678 -4.558 1.00 0.00 ATOM 763 CD GLU A 92 -12.742 -4.335 -3.207 1.00 0.00 ATOM 764 OE1 GLU A 92 -13.505 -4.271 -2.221 1.00 0.00 ATOM 765 OE2 GLU A 92 -11.513 -4.130 -3.133 1.00 0.00 ATOM 766 O GLU A 92 -14.817 -6.324 -6.849 1.00 0.00 ATOM 767 C GLU A 92 -15.480 -5.429 -6.325 1.00 0.00 ATOM 768 N LEU A 93 -16.625 -5.676 -5.684 1.00 0.00 ATOM 769 CA LEU A 93 -17.162 -7.025 -5.586 1.00 0.00 ATOM 770 CB LEU A 93 -18.426 -7.014 -4.724 1.00 0.00 ATOM 771 CG LEU A 93 -18.220 -6.810 -3.222 1.00 0.00 ATOM 772 CD1 LEU A 93 -19.555 -6.638 -2.514 1.00 0.00 ATOM 773 CD2 LEU A 93 -17.508 -8.007 -2.610 1.00 0.00 ATOM 774 O LEU A 93 -17.268 -8.718 -7.291 1.00 0.00 ATOM 775 C LEU A 93 -17.491 -7.551 -6.979 1.00 0.00 ATOM 776 N SER A 94 -18.002 -6.661 -7.801 1.00 0.00 ATOM 777 CA SER A 94 -18.341 -7.016 -9.168 1.00 0.00 ATOM 778 CB SER A 94 -19.069 -5.874 -9.879 1.00 0.00 ATOM 779 OG SER A 94 -20.320 -5.607 -9.268 1.00 0.00 ATOM 780 O SER A 94 -17.077 -8.325 -10.703 1.00 0.00 ATOM 781 C SER A 94 -17.095 -7.357 -9.945 1.00 0.00 ATOM 782 N ASP A 95 -16.045 -6.575 -9.746 1.00 0.00 ATOM 783 CA ASP A 95 -14.775 -6.801 -10.435 1.00 0.00 ATOM 784 CB ASP A 95 -13.816 -5.660 -10.190 1.00 0.00 ATOM 785 CG ASP A 95 -14.103 -4.414 -11.022 1.00 0.00 ATOM 786 OD1 ASP A 95 -14.899 -4.525 -11.968 1.00 0.00 ATOM 787 OD2 ASP A 95 -13.518 -3.349 -10.724 1.00 0.00 ATOM 788 O ASP A 95 -13.563 -8.829 -10.798 1.00 0.00 ATOM 789 C ASP A 95 -14.135 -8.098 -9.972 1.00 0.00 ATOM 790 N ILE A 96 -14.263 -8.417 -8.694 1.00 0.00 ATOM 791 CA ILE A 96 -13.773 -9.678 -8.162 1.00 0.00 ATOM 792 CB ILE A 96 -13.933 -9.733 -6.649 1.00 0.00 ATOM 793 CG1 ILE A 96 -12.955 -8.736 -6.008 1.00 0.00 ATOM 794 CG2 ILE A 96 -13.705 -11.153 -6.139 1.00 0.00 ATOM 795 CD1 ILE A 96 -13.189 -8.560 -4.499 1.00 0.00 ATOM 796 O ILE A 96 -13.934 -11.781 -9.320 1.00 0.00 ATOM 797 C ILE A 96 -14.521 -10.813 -8.843 1.00 0.00 ATOM 798 N LYS A 97 -15.837 -10.668 -8.913 1.00 0.00 ATOM 799 CA LYS A 97 -16.683 -11.701 -9.488 1.00 0.00 ATOM 800 CB LYS A 97 -18.153 -11.282 -9.382 1.00 0.00 ATOM 801 CG LYS A 97 -19.135 -12.278 -9.983 1.00 0.00 ATOM 802 CD LYS A 97 -20.548 -11.698 -10.058 1.00 0.00 ATOM 803 CE LYS A 97 -21.031 -11.206 -8.704 1.00 0.00 ATOM 804 NZ LYS A 97 -22.355 -10.514 -8.797 1.00 0.00 ATOM 805 O LYS A 97 -16.220 -13.051 -11.445 1.00 0.00 ATOM 806 C LYS A 97 -16.316 -11.917 -10.956 1.00 0.00 ATOM 807 N LEU A 98 -16.167 -10.754 -11.706 1.00 0.00 ATOM 808 CA LEU A 98 -15.832 -10.854 -13.117 1.00 0.00 ATOM 809 CB LEU A 98 -15.759 -9.450 -13.752 1.00 0.00 ATOM 810 CG LEU A 98 -17.103 -8.779 -14.045 1.00 0.00 ATOM 811 CD1 LEU A 98 -16.964 -7.255 -14.175 1.00 0.00 ATOM 812 CD2 LEU A 98 -17.677 -9.406 -15.321 1.00 0.00 ATOM 813 O LEU A 98 -14.399 -12.422 -14.224 1.00 0.00 ATOM 814 C LEU A 98 -14.514 -11.580 -13.330 1.00 0.00 ATOM 815 N SER A 99 -13.505 -11.255 -12.496 1.00 0.00 ATOM 816 CA SER A 99 -12.195 -11.882 -12.606 1.00 0.00 ATOM 817 CB SER A 99 -11.200 -11.182 -11.738 1.00 0.00 ATOM 818 OG SER A 99 -10.951 -9.873 -12.174 1.00 0.00 ATOM 819 O SER A 99 -11.608 -14.194 -12.927 1.00 0.00 ATOM 820 C SER A 99 -12.239 -13.366 -12.268 1.00 0.00 ATOM 821 N LEU A 100 -13.013 -13.716 -11.245 1.00 0.00 ATOM 822 CA LEU A 100 -13.077 -15.095 -10.764 1.00 0.00 ATOM 823 CB LEU A 100 -13.682 -15.201 -9.399 1.00 0.00 ATOM 824 CG LEU A 100 -12.936 -14.494 -8.274 1.00 0.00 ATOM 825 CD1 LEU A 100 -13.855 -14.361 -7.053 1.00 0.00 ATOM 826 CD2 LEU A 100 -11.658 -15.201 -7.915 1.00 0.00 ATOM 827 O LEU A 100 -13.436 -17.162 -11.898 1.00 0.00 ATOM 828 C LEU A 100 -13.827 -16.003 -11.717 1.00 0.00 ATOM 829 N LEU A 101 -14.965 -15.510 -12.383 1.00 0.00 ATOM 830 CA LEU A 101 -15.758 -16.275 -13.334 1.00 0.00 ATOM 831 CB LEU A 101 -17.252 -16.056 -13.085 1.00 0.00 ATOM 832 CG LEU A 101 -17.780 -16.490 -11.715 1.00 0.00 ATOM 833 CD1 LEU A 101 -19.249 -16.124 -11.566 1.00 0.00 ATOM 834 CD2 LEU A 101 -17.645 -17.994 -11.537 1.00 0.00 ATOM 835 O LEU A 101 -15.743 -16.755 -15.670 1.00 0.00 ATOM 836 C LEU A 101 -15.522 -15.926 -14.799 1.00 0.00 ATOM 837 N SER A 102 -15.121 -14.695 -15.081 1.00 0.00 ATOM 838 CA SER A 102 -14.924 -14.286 -16.466 1.00 0.00 ATOM 839 CB SER A 102 -15.503 -12.888 -16.699 1.00 0.00 ATOM 840 OG SER A 102 -16.885 -12.849 -16.386 1.00 0.00 ATOM 841 O SER A 102 -13.010 -14.870 -17.806 1.00 0.00 ATOM 842 C SER A 102 -13.428 -14.299 -16.797 1.00 0.00 ATOM 843 N LEU A 103 -12.619 -13.639 -16.053 1.00 0.00 ATOM 844 CA LEU A 103 -11.192 -13.459 -16.331 1.00 0.00 ATOM 845 CB LEU A 103 -10.786 -12.028 -15.939 1.00 0.00 ATOM 846 CG LEU A 103 -11.458 -10.898 -16.722 1.00 0.00 ATOM 847 CD1 LEU A 103 -10.983 -9.583 -16.234 1.00 0.00 ATOM 848 CD2 LEU A 103 -11.177 -11.022 -18.225 1.00 0.00 ATOM 849 O LEU A 103 -9.128 -14.313 -15.501 1.00 0.00 ATOM 850 C LEU A 103 -10.341 -14.471 -15.565 1.00 0.00 ATOM 851 N LYS A 104 -10.952 -15.533 -15.036 1.00 0.00 ATOM 852 CA LYS A 104 -10.220 -16.454 -14.167 1.00 0.00 ATOM 853 CB LYS A 104 -11.170 -17.480 -13.541 1.00 0.00 ATOM 854 CG LYS A 104 -11.702 -18.516 -14.514 1.00 0.00 ATOM 855 CD LYS A 104 -12.646 -19.492 -13.813 1.00 0.00 ATOM 856 CE LYS A 104 -12.658 -20.848 -14.500 1.00 0.00 ATOM 857 NZ LYS A 104 -13.427 -20.794 -15.765 1.00 0.00 ATOM 858 O LYS A 104 -8.179 -17.673 -14.170 1.00 0.00 ATOM 859 C LYS A 104 -9.092 -17.231 -14.846 1.00 0.00 ATOM 860 N GLY A 105 -9.114 -17.395 -16.154 1.00 0.00 ATOM 861 CA GLY A 105 -7.990 -18.022 -16.821 1.00 0.00 ATOM 862 O GLY A 105 -5.603 -17.786 -16.864 1.00 0.00 ATOM 863 C GLY A 105 -6.698 -17.228 -16.733 1.00 0.00 ATOM 864 N ASP A 106 -6.960 -15.852 -16.696 1.00 0.00 ATOM 865 CA ASP A 106 -5.819 -14.967 -16.629 1.00 0.00 ATOM 866 CB ASP A 106 -5.984 -13.884 -17.669 1.00 0.00 ATOM 867 CG ASP A 106 -6.222 -14.451 -19.042 1.00 0.00 ATOM 868 OD1 ASP A 106 -5.603 -15.465 -19.371 1.00 0.00 ATOM 869 OD2 ASP A 106 -7.012 -13.962 -19.845 1.00 0.00 ATOM 870 O ASP A 106 -4.414 -13.894 -15.027 1.00 0.00 ATOM 871 C ASP A 106 -5.547 -14.293 -15.279 1.00 0.00 ATOM 872 N TYR A 107 -6.599 -14.073 -14.488 1.00 0.00 ATOM 873 CA TYR A 107 -6.459 -13.332 -13.239 1.00 0.00 ATOM 874 CB TYR A 107 -7.810 -13.223 -12.528 1.00 0.00 ATOM 875 CG TYR A 107 -7.742 -12.527 -11.188 1.00 0.00 ATOM 876 CD1 TYR A 107 -7.687 -11.141 -11.107 1.00 0.00 ATOM 877 CD2 TYR A 107 -7.732 -13.256 -10.007 1.00 0.00 ATOM 878 CE1 TYR A 107 -7.625 -10.496 -9.887 1.00 0.00 ATOM 879 CE2 TYR A 107 -7.670 -12.629 -8.776 1.00 0.00 ATOM 880 CZ TYR A 107 -7.617 -11.236 -8.726 1.00 0.00 ATOM 881 OH TYR A 107 -7.555 -10.596 -7.509 1.00 0.00 ATOM 882 O TYR A 107 -4.779 -13.394 -11.542 1.00 0.00 ATOM 883 C TYR A 107 -5.498 -14.041 -12.285 1.00 0.00 ATOM 884 N ALA A 108 -5.570 -15.371 -12.243 1.00 0.00 ATOM 885 CA ALA A 108 -4.699 -16.128 -11.356 1.00 0.00 ATOM 886 CB ALA A 108 -4.965 -17.617 -11.515 1.00 0.00 ATOM 887 O ALA A 108 -2.405 -15.603 -10.851 1.00 0.00 ATOM 888 C ALA A 108 -3.247 -15.843 -11.719 1.00 0.00 ATOM 889 N GLU A 109 -2.965 -15.833 -13.017 1.00 0.00 ATOM 890 CA GLU A 109 -1.621 -15.561 -13.503 1.00 0.00 ATOM 891 CB GLU A 109 -1.553 -15.749 -15.020 1.00 0.00 ATOM 892 CG GLU A 109 -1.663 -17.195 -15.472 1.00 0.00 ATOM 893 CD GLU A 109 -0.579 -18.074 -14.881 1.00 0.00 ATOM 894 OE1 GLU A 109 0.613 -17.715 -15.005 1.00 0.00 ATOM 895 OE2 GLU A 109 -0.917 -19.123 -14.295 1.00 0.00 ATOM 896 O GLU A 109 -0.055 -13.859 -12.849 1.00 0.00 ATOM 897 C GLU A 109 -1.211 -14.127 -13.178 1.00 0.00 ATOM 898 N LEU A 110 -2.159 -13.234 -13.283 1.00 0.00 ATOM 899 CA LEU A 110 -1.894 -11.827 -12.996 1.00 0.00 ATOM 900 CB LEU A 110 -3.083 -10.960 -13.417 1.00 0.00 ATOM 901 CG LEU A 110 -3.335 -10.840 -14.921 1.00 0.00 ATOM 902 CD1 LEU A 110 -4.639 -10.106 -15.190 1.00 0.00 ATOM 903 CD2 LEU A 110 -2.209 -10.070 -15.595 1.00 0.00 ATOM 904 O LEU A 110 -0.749 -10.832 -11.139 1.00 0.00 ATOM 905 C LEU A 110 -1.648 -11.591 -11.510 1.00 0.00 ATOM 906 N GLU A 111 -2.444 -12.228 -10.660 1.00 0.00 ATOM 907 CA GLU A 111 -2.271 -12.053 -9.222 1.00 0.00 ATOM 908 CB GLU A 111 -3.246 -12.945 -8.453 1.00 0.00 ATOM 909 CG GLU A 111 -3.179 -12.781 -6.942 1.00 0.00 ATOM 910 CD GLU A 111 -4.198 -13.637 -6.217 1.00 0.00 ATOM 911 OE1 GLU A 111 -4.970 -14.345 -6.896 1.00 0.00 ATOM 912 OE2 GLU A 111 -4.225 -13.599 -4.968 1.00 0.00 ATOM 913 O GLU A 111 -0.178 -11.757 -8.088 1.00 0.00 ATOM 914 C GLU A 111 -0.847 -12.441 -8.862 1.00 0.00 ATOM 915 N HIS A 112 -0.376 -13.537 -9.446 1.00 0.00 ATOM 916 CA HIS A 112 0.971 -14.007 -9.175 1.00 0.00 ATOM 917 CB HIS A 112 1.209 -15.366 -9.836 1.00 0.00 ATOM 918 CG HIS A 112 2.571 -15.931 -9.583 1.00 0.00 ATOM 919 CD2 HIS A 112 3.762 -16.171 -10.386 1.00 0.00 ATOM 920 ND1 HIS A 112 2.972 -16.385 -8.344 1.00 0.00 ATOM 921 CE1 HIS A 112 4.239 -16.829 -8.430 1.00 0.00 ATOM 922 NE2 HIS A 112 4.718 -16.705 -9.651 1.00 0.00 ATOM 923 O HIS A 112 2.954 -12.685 -8.886 1.00 0.00 ATOM 924 C HIS A 112 2.011 -12.997 -9.638 1.00 0.00 ATOM 925 N HIS A 113 1.856 -12.509 -10.871 1.00 0.00 ATOM 926 CA HIS A 113 2.863 -11.604 -11.446 1.00 0.00 ATOM 927 CB HIS A 113 2.592 -11.319 -12.926 1.00 0.00 ATOM 928 CG HIS A 113 2.829 -12.498 -13.819 1.00 0.00 ATOM 929 CD2 HIS A 113 1.991 -13.369 -14.631 1.00 0.00 ATOM 930 ND1 HIS A 113 4.083 -13.020 -14.046 1.00 0.00 ATOM 931 CE1 HIS A 113 3.978 -14.065 -14.886 1.00 0.00 ATOM 932 NE2 HIS A 113 2.725 -14.281 -15.241 1.00 0.00 ATOM 933 O HIS A 113 3.918 -9.586 -10.686 1.00 0.00 ATOM 934 C HIS A 113 2.896 -10.274 -10.694 1.00 0.00 ATOM 935 N HIS A 114 1.789 -9.926 -10.045 1.00 0.00 ATOM 936 CA HIS A 114 1.707 -8.679 -9.291 1.00 0.00 ATOM 937 CB HIS A 114 0.273 -8.155 -9.288 1.00 0.00 ATOM 938 CG HIS A 114 -0.099 -7.546 -10.601 1.00 0.00 ATOM 939 CD2 HIS A 114 -0.959 -7.945 -11.574 1.00 0.00 ATOM 940 ND1 HIS A 114 0.492 -6.386 -11.060 1.00 0.00 ATOM 941 CE1 HIS A 114 0.001 -6.092 -12.257 1.00 0.00 ATOM 942 NE2 HIS A 114 -0.891 -7.011 -12.582 1.00 0.00 ATOM 943 O HIS A 114 2.335 -7.798 -7.154 1.00 0.00 ATOM 944 C HIS A 114 2.127 -8.807 -7.829 1.00 0.00 ATOM 945 N HIS A 115 2.203 -10.055 -7.342 1.00 0.00 ATOM 946 CA HIS A 115 2.583 -10.249 -5.922 1.00 0.00 ATOM 947 CB HIS A 115 2.404 -11.742 -5.567 1.00 0.00 ATOM 948 CG HIS A 115 2.718 -12.077 -4.138 1.00 0.00 ATOM 949 CD2 HIS A 115 3.495 -13.055 -3.606 1.00 0.00 ATOM 950 ND1 HIS A 115 2.218 -11.364 -3.071 1.00 0.00 ATOM 951 CE1 HIS A 115 2.685 -11.879 -1.943 1.00 0.00 ATOM 952 NE2 HIS A 115 3.463 -12.901 -2.234 1.00 0.00 ATOM 953 O HIS A 115 4.209 -9.024 -4.647 1.00 0.00 ATOM 954 C HIS A 115 3.975 -9.706 -5.653 1.00 0.00 ATOM 955 N HIS A 116 4.881 -9.887 -6.597 1.00 0.00 ATOM 956 CA HIS A 116 6.243 -9.375 -6.455 1.00 0.00 ATOM 957 CB HIS A 116 7.193 -9.888 -7.556 1.00 0.00 ATOM 958 CG HIS A 116 8.589 -9.367 -7.421 1.00 0.00 ATOM 959 CD2 HIS A 116 9.340 -8.606 -8.246 1.00 0.00 ATOM 960 ND1 HIS A 116 9.375 -9.631 -6.309 1.00 0.00 ATOM 961 CE1 HIS A 116 10.549 -9.049 -6.465 1.00 0.00 ATOM 962 NE2 HIS A 116 10.549 -8.421 -7.636 1.00 0.00 ATOM 963 O HIS A 116 6.958 -7.182 -5.729 1.00 0.00 ATOM 964 C HIS A 116 6.248 -7.828 -6.484 1.00 0.00 ATOM 965 N HIS A 117 5.427 -7.206 -7.364 1.00 0.00 ATOM 966 CA HIS A 117 5.404 -5.738 -7.418 1.00 0.00 ATOM 967 CB HIS A 117 4.561 -5.303 -8.644 1.00 0.00 ATOM 968 CG HIS A 117 5.022 -5.885 -9.942 1.00 0.00 ATOM 969 CD2 HIS A 117 4.375 -6.636 -10.864 1.00 0.00 ATOM 970 ND1 HIS A 117 6.308 -5.725 -10.413 1.00 0.00 ATOM 971 CE1 HIS A 117 6.433 -6.355 -11.568 1.00 0.00 ATOM 972 NE2 HIS A 117 5.274 -6.916 -11.865 1.00 0.00 ATOM 973 O HIS A 117 5.296 -4.177 -5.627 1.00 0.00 ATOM 974 C HIS A 117 4.829 -5.196 -6.119 1.00 0.00 ENDMDL EXPDTA 2hg7A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hg7A ATOM 1 N MET 1 -8.617 -6.057 5.729 1.00 0.00 ATOM 2 CA MET 1 -7.197 -5.647 5.748 1.00 0.00 ATOM 3 CB MET 1 -6.429 -6.259 4.558 1.00 0.00 ATOM 4 CG MET 1 -7.071 -6.044 3.194 1.00 0.00 ATOM 5 SD MET 1 -6.932 -4.352 2.591 1.00 0.00 ATOM 6 CE MET 1 -7.635 -4.520 0.949 1.00 0.00 ATOM 7 O MET 1 -8.087 -3.422 5.664 1.00 0.00 ATOM 8 C MET 1 -7.082 -4.128 5.762 1.00 0.00 ATOM 9 N ILE 2 -5.866 -3.627 5.898 1.00 0.00 ATOM 10 CA ILE 2 -5.645 -2.192 5.984 1.00 0.00 ATOM 11 CB ILE 2 -4.992 -1.803 7.329 1.00 0.00 ATOM 12 CG1 ILE 2 -5.828 -2.331 8.499 1.00 0.00 ATOM 13 CG2 ILE 2 -4.840 -0.290 7.429 1.00 0.00 ATOM 14 CD1 ILE 2 -5.218 -2.065 9.859 1.00 0.00 ATOM 15 O ILE 2 -3.686 -2.276 4.604 1.00 0.00 ATOM 16 C ILE 2 -4.759 -1.719 4.837 1.00 0.00 ATOM 17 N LEU 3 -5.212 -0.688 4.127 1.00 0.00 ATOM 18 CA LEU 3 -4.489 -0.137 3.002 1.00 0.00 ATOM 19 CB LEU 3 -5.379 0.878 2.299 1.00 0.00 ATOM 20 CG LEU 3 -6.271 0.326 1.181 1.00 0.00 ATOM 21 CD1 LEU 3 -5.434 -0.384 0.132 1.00 0.00 ATOM 22 CD2 LEU 3 -7.334 -0.610 1.741 1.00 0.00 ATOM 23 O LEU 3 -2.173 0.434 2.775 1.00 0.00 ATOM 24 C LEU 3 -3.194 0.527 3.450 1.00 0.00 ATOM 25 N TYR 4 -3.255 1.184 4.603 1.00 0.00 ATOM 26 CA TYR 4 -2.108 1.892 5.165 1.00 0.00 ATOM 27 CB TYR 4 -2.467 2.435 6.555 1.00 0.00 ATOM 28 CG TYR 4 -1.334 3.144 7.272 1.00 0.00 ATOM 29 CD1 TYR 4 -0.788 4.318 6.770 1.00 0.00 ATOM 30 CD2 TYR 4 -0.829 2.646 8.467 1.00 0.00 ATOM 31 CE1 TYR 4 0.230 4.977 7.438 1.00 0.00 ATOM 32 CE2 TYR 4 0.190 3.296 9.138 1.00 0.00 ATOM 33 CZ TYR 4 0.716 4.461 8.621 1.00 0.00 ATOM 34 OH TYR 4 1.722 5.117 9.295 1.00 0.00 ATOM 35 O TYR 4 0.213 1.380 4.840 1.00 0.00 ATOM 36 C TYR 4 -0.877 0.986 5.250 1.00 0.00 ATOM 37 N ASP 5 -1.064 -0.228 5.756 1.00 0.00 ATOM 38 CA ASP 5 0.030 -1.189 5.886 1.00 0.00 ATOM 39 CB ASP 5 -0.451 -2.461 6.583 1.00 0.00 ATOM 40 CG ASP 5 -0.590 -2.287 8.082 1.00 0.00 ATOM 41 OD1 ASP 5 -1.733 -2.179 8.572 1.00 0.00 ATOM 42 OD2 ASP 5 0.447 -2.259 8.778 1.00 0.00 ATOM 43 O ASP 5 1.835 -1.536 4.346 1.00 0.00 ATOM 44 C ASP 5 0.618 -1.538 4.526 1.00 0.00 ATOM 45 N ALA 6 -0.256 -1.833 3.575 1.00 0.00 ATOM 46 CA ALA 6 0.164 -2.176 2.221 1.00 0.00 ATOM 47 CB ALA 6 -1.044 -2.540 1.372 1.00 0.00 ATOM 48 O ALA 6 1.990 -1.249 0.953 1.00 0.00 ATOM 49 C ALA 6 0.945 -1.033 1.573 1.00 0.00 ATOM 50 N ILE 7 0.441 0.188 1.731 1.00 0.00 ATOM 51 CA ILE 7 1.100 1.367 1.177 1.00 0.00 ATOM 52 CB ILE 7 0.252 2.643 1.375 1.00 0.00 ATOM 53 CG1 ILE 7 -1.127 2.471 0.733 1.00 0.00 ATOM 54 CG2 ILE 7 0.967 3.851 0.785 1.00 0.00 ATOM 55 CD1 ILE 7 -2.064 3.637 0.972 1.00 0.00 ATOM 56 O ILE 7 3.439 1.885 1.130 1.00 0.00 ATOM 57 C ILE 7 2.472 1.565 1.814 1.00 0.00 ATOM 58 N MET 8 2.556 1.348 3.122 1.00 0.00 ATOM 59 CA MET 8 3.818 1.509 3.846 1.00 0.00 ATOM 60 CB MET 8 3.585 1.458 5.358 1.00 0.00 ATOM 61 CG MET 8 2.816 2.649 5.921 1.00 0.00 ATOM 62 SD MET 8 3.759 4.190 5.924 1.00 0.00 ATOM 63 CE MET 8 3.418 4.845 4.293 1.00 0.00 ATOM 64 O MET 8 6.033 0.614 3.619 1.00 0.00 ATOM 65 C MET 8 4.826 0.438 3.447 1.00 0.00 ATOM 66 N TYR 9 4.333 -0.673 2.918 1.00 0.00 ATOM 67 CA TYR 9 5.205 -1.749 2.471 1.00 0.00 ATOM 68 CB TYR 9 4.419 -3.058 2.311 1.00 0.00 ATOM 69 CG TYR 9 5.259 -4.216 1.806 1.00 0.00 ATOM 70 CD1 TYR 9 5.227 -4.594 0.468 1.00 0.00 ATOM 71 CD2 TYR 9 6.097 -4.919 2.663 1.00 0.00 ATOM 72 CE1 TYR 9 6.005 -5.638 0.003 1.00 0.00 ATOM 73 CE2 TYR 9 6.875 -5.967 2.204 1.00 0.00 ATOM 74 CZ TYR 9 6.827 -6.319 0.874 1.00 0.00 ATOM 75 OH TYR 9 7.608 -7.357 0.410 1.00 0.00 ATOM 76 O TYR 9 7.086 -1.591 0.987 1.00 0.00 ATOM 77 C TYR 9 5.889 -1.374 1.158 1.00 0.00 ATOM 78 N LYS 10 5.127 -0.798 0.238 1.00 0.00 ATOM 79 CA LYS 10 5.650 -0.488 -1.085 1.00 0.00 ATOM 80 CB LYS 10 4.553 -0.646 -2.146 1.00 0.00 ATOM 81 CG LYS 10 5.066 -0.564 -3.579 1.00 0.00 ATOM 82 CD LYS 10 6.128 -1.622 -3.845 1.00 0.00 ATOM 83 CE LYS 10 6.659 -1.557 -5.272 1.00 0.00 ATOM 84 NZ LYS 10 5.611 -1.892 -6.274 1.00 0.00 ATOM 85 O LYS 10 7.244 1.153 -1.828 1.00 0.00 ATOM 86 C LYS 10 6.246 0.922 -1.142 1.00 0.00 ATOM 87 N TYR 11 5.646 1.858 -0.417 1.00 0.00 ATOM 88 CA TYR 11 6.083 3.250 -0.461 1.00 0.00 ATOM 89 CB TYR 11 4.972 4.149 -1.014 1.00 0.00 ATOM 90 CG TYR 11 4.427 3.713 -2.353 1.00 0.00 ATOM 91 CD1 TYR 11 5.178 3.852 -3.514 1.00 0.00 ATOM 92 CD2 TYR 11 3.150 3.174 -2.456 1.00 0.00 ATOM 93 CE1 TYR 11 4.670 3.462 -4.740 1.00 0.00 ATOM 94 CE2 TYR 11 2.638 2.783 -3.675 1.00 0.00 ATOM 95 CZ TYR 11 3.398 2.929 -4.813 1.00 0.00 ATOM 96 OH TYR 11 2.884 2.540 -6.030 1.00 0.00 ATOM 97 O TYR 11 5.681 4.349 1.636 1.00 0.00 ATOM 98 C TYR 11 6.488 3.748 0.927 1.00 0.00 ATOM 99 N PRO 12 7.741 3.494 1.339 1.00 0.00 ATOM 100 CA PRO 12 8.263 3.951 2.633 1.00 0.00 ATOM 101 CB PRO 12 9.611 3.224 2.758 1.00 0.00 ATOM 102 CG PRO 12 9.590 2.164 1.708 1.00 0.00 ATOM 103 CD PRO 12 8.742 2.713 0.603 1.00 0.00 ATOM 104 O PRO 12 8.506 6.073 3.755 1.00 0.00 ATOM 105 C PRO 12 8.483 5.464 2.682 1.00 0.00 ATOM 106 N ASN 13 8.643 6.068 1.515 1.00 0.00 ATOM 107 CA ASN 13 8.925 7.493 1.422 1.00 0.00 ATOM 108 CB ASN 13 9.934 7.763 0.306 1.00 0.00 ATOM 109 CG ASN 13 11.335 7.298 0.667 1.00 0.00 ATOM 110 ND2 ASN 13 11.688 6.085 0.261 1.00 0.00 ATOM 111 OD1 ASN 13 12.103 8.033 1.291 1.00 0.00 ATOM 112 O ASN 13 7.704 9.505 0.938 1.00 0.00 ATOM 113 C ASN 13 7.651 8.300 1.190 1.00 0.00 ATOM 114 N ALA 14 6.508 7.638 1.281 1.00 0.00 ATOM 115 CA ALA 14 5.223 8.312 1.142 1.00 0.00 ATOM 116 CB ALA 14 4.244 7.438 0.372 1.00 0.00 ATOM 117 O ALA 14 4.778 7.878 3.457 1.00 0.00 ATOM 118 C ALA 14 4.662 8.664 2.515 1.00 0.00 ATOM 119 N VAL 15 4.070 9.845 2.636 1.00 0.00 ATOM 120 CA VAL 15 3.550 10.299 3.919 1.00 0.00 ATOM 121 CB VAL 15 4.005 11.743 4.234 1.00 0.00 ATOM 122 CG1 VAL 15 3.592 12.151 5.640 1.00 0.00 ATOM 123 CG2 VAL 15 5.508 11.885 4.058 1.00 0.00 ATOM 124 O VAL 15 1.344 10.756 3.058 1.00 0.00 ATOM 125 C VAL 15 2.025 10.232 3.949 1.00 0.00 ATOM 126 N SER 16 1.493 9.578 4.973 1.00 0.00 ATOM 127 CA SER 16 0.059 9.501 5.169 1.00 0.00 ATOM 128 CB SER 16 -0.270 8.393 6.174 1.00 0.00 ATOM 129 OG SER 16 0.563 8.480 7.317 1.00 0.00 ATOM 130 O SER 16 0.262 11.632 6.257 1.00 0.00 ATOM 131 C SER 16 -0.476 10.847 5.649 1.00 0.00 ATOM 132 N ARG 17 -1.748 11.120 5.344 1.00 0.00 ATOM 133 CA ARG 17 -2.394 12.382 5.714 1.00 0.00 ATOM 134 CB ARG 17 -2.321 12.609 7.233 1.00 0.00 ATOM 135 CG ARG 17 -2.815 11.434 8.063 1.00 0.00 ATOM 136 CD ARG 17 -2.600 11.670 9.552 1.00 0.00 ATOM 137 NE ARG 17 -1.208 12.012 9.857 1.00 0.00 ATOM 138 CZ ARG 17 -0.473 11.419 10.800 1.00 0.00 ATOM 139 NH1 ARG 17 -0.988 10.445 11.545 1.00 0.00 ATOM 140 NH2 ARG 17 0.785 11.802 10.990 1.00 0.00 ATOM 141 O ARG 17 -1.896 14.708 5.339 1.00 0.00 ATOM 142 C ARG 17 -1.730 13.544 4.976 1.00 0.00 ATOM 143 N LYS 18 -0.990 13.211 3.926 1.00 0.00 ATOM 144 CA LYS 18 -0.202 14.188 3.189 1.00 0.00 ATOM 145 CB LYS 18 1.249 14.163 3.688 1.00 0.00 ATOM 146 CG LYS 18 2.193 15.086 2.932 1.00 0.00 ATOM 147 CD LYS 18 1.924 16.550 3.237 1.00 0.00 ATOM 148 CE LYS 18 2.911 17.455 2.514 1.00 0.00 ATOM 149 NZ LYS 18 4.325 17.131 2.859 1.00 0.00 ATOM 150 O LYS 18 -0.931 14.582 0.933 1.00 0.00 ATOM 151 C LYS 18 -0.249 13.892 1.692 1.00 0.00 ATOM 152 N ASP 19 0.461 12.847 1.282 1.00 0.00 ATOM 153 CA ASP 19 0.518 12.461 -0.123 1.00 0.00 ATOM 154 CB ASP 19 1.765 11.618 -0.406 1.00 0.00 ATOM 155 CG ASP 19 3.058 12.358 -0.122 1.00 0.00 ATOM 156 OD1 ASP 19 3.818 11.909 0.764 1.00 0.00 ATOM 157 OD2 ASP 19 3.317 13.390 -0.780 1.00 0.00 ATOM 158 O ASP 19 -1.187 11.701 -1.635 1.00 0.00 ATOM 159 C ASP 19 -0.725 11.675 -0.492 1.00 0.00 ATOM 160 N PHE 20 -1.263 10.978 0.491 1.00 0.00 ATOM 161 CA PHE 20 -2.497 10.240 0.323 1.00 0.00 ATOM 162 CB PHE 20 -2.218 8.760 0.012 1.00 0.00 ATOM 163 CG PHE 20 -1.324 8.068 1.008 1.00 0.00 ATOM 164 CD1 PHE 20 0.056 8.121 0.876 1.00 0.00 ATOM 165 CD2 PHE 20 -1.865 7.359 2.070 1.00 0.00 ATOM 166 CE1 PHE 20 0.877 7.488 1.790 1.00 0.00 ATOM 167 CE2 PHE 20 -1.047 6.724 2.985 1.00 0.00 ATOM 168 CZ PHE 20 0.325 6.787 2.843 1.00 0.00 ATOM 169 O PHE 20 -2.868 10.317 2.698 1.00 0.00 ATOM 170 C PHE 20 -3.361 10.384 1.568 1.00 0.00 ATOM 171 N GLU 21 -4.644 10.612 1.352 1.00 0.00 ATOM 172 CA GLU 21 -5.590 10.773 2.445 1.00 0.00 ATOM 173 CB GLU 21 -6.623 11.849 2.098 1.00 0.00 ATOM 174 CG GLU 21 -7.714 12.043 3.142 1.00 0.00 ATOM 175 CD GLU 21 -7.245 12.831 4.349 1.00 0.00 ATOM 176 OE1 GLU 21 -6.590 12.242 5.232 1.00 0.00 ATOM 177 OE2 GLU 21 -7.551 14.043 4.422 1.00 0.00 ATOM 178 O GLU 21 -6.822 8.836 1.784 1.00 0.00 ATOM 179 C GLU 21 -6.286 9.448 2.705 1.00 0.00 ATOM 180 N LEU 22 -6.264 9.002 3.944 1.00 0.00 ATOM 181 CA LEU 22 -6.912 7.758 4.315 1.00 0.00 ATOM 182 CB LEU 22 -6.037 6.954 5.272 1.00 0.00 ATOM 183 CG LEU 22 -4.645 6.609 4.746 1.00 0.00 ATOM 184 CD1 LEU 22 -3.821 5.946 5.832 1.00 0.00 ATOM 185 CD2 LEU 22 -4.745 5.700 3.531 1.00 0.00 ATOM 186 O LEU 22 -8.454 9.103 5.566 1.00 0.00 ATOM 187 C LEU 22 -8.251 8.042 4.971 1.00 0.00 ATOM 188 N ARG 23 -9.155 7.094 4.868 1.00 0.00 ATOM 189 CA ARG 23 -10.457 7.215 5.493 1.00 0.00 ATOM 190 CB ARG 23 -11.549 7.427 4.447 1.00 0.00 ATOM 191 CG ARG 23 -12.861 7.929 5.026 1.00 0.00 ATOM 192 CD ARG 23 -12.949 9.449 4.996 1.00 0.00 ATOM 193 NE ARG 23 -11.973 10.104 5.868 1.00 0.00 ATOM 194 CZ ARG 23 -11.559 11.363 5.703 1.00 0.00 ATOM 195 NH1 ARG 23 -12.008 12.093 4.688 1.00 0.00 ATOM 196 NH2 ARG 23 -10.709 11.904 6.565 1.00 0.00 ATOM 197 O ARG 23 -10.393 4.852 5.873 1.00 0.00 ATOM 198 C ARG 23 -10.744 5.957 6.295 1.00 0.00 ATOM 199 N ASN 24 -11.375 6.123 7.444 1.00 0.00 ATOM 200 CA ASN 24 -11.631 5.002 8.339 1.00 0.00 ATOM 201 CB ASN 24 -11.486 5.433 9.802 1.00 0.00 ATOM 202 CG ASN 24 -11.712 4.288 10.777 1.00 0.00 ATOM 203 ND2 ASN 24 -12.939 4.151 11.257 1.00 0.00 ATOM 204 OD1 ASN 24 -10.789 3.543 11.104 1.00 0.00 ATOM 205 O ASN 24 -14.031 5.053 8.409 1.00 0.00 ATOM 206 C ASN 24 -13.018 4.424 8.101 1.00 0.00 ATOM 207 N ASP 25 -13.050 3.224 7.542 1.00 0.00 ATOM 208 CA ASP 25 -14.304 2.520 7.287 1.00 0.00 ATOM 209 CB ASP 25 -14.096 1.433 6.226 1.00 0.00 ATOM 210 CG ASP 25 -15.237 0.430 6.167 1.00 0.00 ATOM 211 OD1 ASP 25 -16.194 0.646 5.391 1.00 0.00 ATOM 212 OD2 ASP 25 -15.177 -0.588 6.891 1.00 0.00 ATOM 213 O ASP 25 -16.022 1.885 8.836 1.00 0.00 ATOM 214 C ASP 25 -14.822 1.882 8.564 1.00 0.00 ATOM 215 N GLY 26 -13.901 1.344 9.348 1.00 0.00 ATOM 216 CA GLY 26 -14.273 0.592 10.528 1.00 0.00 ATOM 217 O GLY 26 -13.193 -1.312 11.480 1.00 0.00 ATOM 218 C GLY 26 -13.699 -0.804 10.483 1.00 0.00 ATOM 219 N ASN 27 -13.769 -1.419 9.307 1.00 0.00 ATOM 220 CA ASN 27 -13.141 -2.717 9.078 1.00 0.00 ATOM 221 CB ASN 27 -13.947 -3.527 8.048 1.00 0.00 ATOM 222 CG ASN 27 -13.389 -4.926 7.812 1.00 0.00 ATOM 223 ND2 ASN 27 -12.610 -5.096 6.749 1.00 0.00 ATOM 224 OD1 ASN 27 -13.678 -5.856 8.568 1.00 0.00 ATOM 225 O ASN 27 -10.926 -3.435 8.447 1.00 0.00 ATOM 226 C ASN 27 -11.707 -2.499 8.603 1.00 0.00 ATOM 227 N GLY 28 -11.379 -1.238 8.383 1.00 0.00 ATOM 228 CA GLY 28 -10.052 -0.865 7.952 1.00 0.00 ATOM 229 O GLY 28 -11.008 1.284 7.559 1.00 0.00 ATOM 230 C GLY 28 -10.005 0.574 7.490 1.00 0.00 ATOM 231 N SER 29 -8.845 1.010 7.032 1.00 0.00 ATOM 232 CA SER 29 -8.691 2.349 6.491 1.00 0.00 ATOM 233 CB SER 29 -7.695 3.148 7.332 1.00 0.00 ATOM 234 OG SER 29 -8.082 3.150 8.695 1.00 0.00 ATOM 235 O SER 29 -7.277 1.528 4.746 1.00 0.00 ATOM 236 C SER 29 -8.223 2.261 5.046 1.00 0.00 ATOM 237 N TYR 30 -8.895 2.985 4.156 1.00 0.00 ATOM 238 CA TYR 30 -8.591 2.913 2.731 1.00 0.00 ATOM 239 CB TYR 30 -9.749 2.256 1.968 1.00 0.00 ATOM 240 CG TYR 30 -11.071 2.991 2.054 1.00 0.00 ATOM 241 CD1 TYR 30 -11.487 3.830 1.026 1.00 0.00 ATOM 242 CD2 TYR 30 -11.911 2.832 3.150 1.00 0.00 ATOM 243 CE1 TYR 30 -12.699 4.484 1.086 1.00 0.00 ATOM 244 CE2 TYR 30 -13.126 3.488 3.218 1.00 0.00 ATOM 245 CZ TYR 30 -13.514 4.313 2.185 1.00 0.00 ATOM 246 OH TYR 30 -14.726 4.958 2.237 1.00 0.00 ATOM 247 O TYR 30 -8.306 5.295 2.884 1.00 0.00 ATOM 248 C TYR 30 -8.277 4.295 2.162 1.00 0.00 ATOM 249 N ILE 31 -7.990 4.343 0.866 1.00 0.00 ATOM 250 CA ILE 31 -7.546 5.568 0.219 1.00 0.00 ATOM 251 CB ILE 31 -6.674 5.263 -1.019 1.00 0.00 ATOM 252 CG1 ILE 31 -5.531 4.319 -0.639 1.00 0.00 ATOM 253 CG2 ILE 31 -6.128 6.551 -1.618 1.00 0.00 ATOM 254 CD1 ILE 31 -4.697 3.870 -1.818 1.00 0.00 ATOM 255 O ILE 31 -9.593 6.012 -0.974 1.00 0.00 ATOM 256 C ILE 31 -8.727 6.436 -0.203 1.00 0.00 ATOM 257 N GLU 32 -8.752 7.653 0.314 1.00 0.00 ATOM 258 CA GLU 32 -9.771 8.623 -0.042 1.00 0.00 ATOM 259 CB GLU 32 -10.177 9.421 1.209 1.00 0.00 ATOM 260 CG GLU 32 -11.537 10.105 1.122 1.00 0.00 ATOM 261 CD GLU 32 -11.582 11.239 0.119 1.00 0.00 ATOM 262 OE1 GLU 32 -12.405 11.178 -0.817 1.00 0.00 ATOM 263 OE2 GLU 32 -10.799 12.199 0.269 1.00 0.00 ATOM 264 O GLU 32 -9.780 9.630 -2.231 1.00 0.00 ATOM 265 C GLU 32 -9.228 9.550 -1.133 1.00 0.00 ATOM 266 N LYS 33 -8.125 10.222 -0.828 1.00 0.00 ATOM 267 CA LYS 33 -7.517 11.170 -1.742 1.00 0.00 ATOM 268 CB LYS 33 -7.352 12.506 -1.031 1.00 0.00 ATOM 269 CG LYS 33 -6.835 13.621 -1.910 1.00 0.00 ATOM 270 CD LYS 33 -6.025 14.615 -1.112 1.00 0.00 ATOM 271 CE LYS 33 -6.713 15.028 0.178 1.00 0.00 ATOM 272 NZ LYS 33 -7.978 15.776 -0.057 1.00 0.00 ATOM 273 O LYS 33 -5.385 10.127 -1.401 1.00 0.00 ATOM 274 C LYS 33 -6.156 10.658 -2.204 1.00 0.00 ATOM 275 N TRP 34 -5.860 10.824 -3.484 1.00 0.00 ATOM 276 CA TRP 34 -4.612 10.331 -4.054 1.00 0.00 ATOM 277 CB TRP 34 -4.924 9.188 -5.031 1.00 0.00 ATOM 278 CG TRP 34 -3.724 8.452 -5.551 1.00 0.00 ATOM 279 CD1 TRP 34 -3.194 8.531 -6.806 1.00 0.00 ATOM 280 CD2 TRP 34 -2.923 7.500 -4.838 1.00 0.00 ATOM 281 CE2 TRP 34 -1.929 7.044 -5.726 1.00 0.00 ATOM 282 CE3 TRP 34 -2.948 6.989 -3.537 1.00 0.00 ATOM 283 NE1 TRP 34 -2.119 7.685 -6.920 1.00 0.00 ATOM 284 CZ2 TRP 34 -0.972 6.104 -5.352 1.00 0.00 ATOM 285 CZ3 TRP 34 -1.998 6.056 -3.169 1.00 0.00 ATOM 286 CH2 TRP 34 -1.023 5.620 -4.075 1.00 0.00 ATOM 287 O TRP 34 -4.331 11.974 -5.784 1.00 0.00 ATOM 288 C TRP 34 -3.867 11.463 -4.763 1.00 0.00 ATOM 289 N ASN 35 -2.720 11.866 -4.213 1.00 0.00 ATOM 290 CA ASN 35 -1.935 12.960 -4.793 1.00 0.00 ATOM 291 CB ASN 35 -1.734 14.095 -3.780 1.00 0.00 ATOM 292 CG ASN 35 -2.998 14.889 -3.512 1.00 0.00 ATOM 293 ND2 ASN 35 -3.063 15.528 -2.351 1.00 0.00 ATOM 294 OD1 ASN 35 -3.901 14.952 -4.349 1.00 0.00 ATOM 295 O ASN 35 0.305 13.276 -5.607 1.00 0.00 ATOM 296 C ASN 35 -0.573 12.474 -5.272 1.00 0.00 ATOM 297 N LEU 36 -0.397 11.165 -5.310 1.00 0.00 ATOM 298 CA LEU 36 0.868 10.580 -5.729 1.00 0.00 ATOM 299 CB LEU 36 1.096 9.237 -5.028 1.00 0.00 ATOM 300 CG LEU 36 1.461 9.329 -3.549 1.00 0.00 ATOM 301 CD1 LEU 36 1.550 7.940 -2.938 1.00 0.00 ATOM 302 CD2 LEU 36 2.777 10.073 -3.373 1.00 0.00 ATOM 303 O LEU 36 -0.103 10.080 -7.864 1.00 0.00 ATOM 304 C LEU 36 0.911 10.390 -7.236 1.00 0.00 ATOM 305 N ARG 37 2.089 10.584 -7.812 1.00 0.00 ATOM 306 CA ARG 37 2.291 10.319 -9.225 1.00 0.00 ATOM 307 CB ARG 37 3.466 11.122 -9.786 1.00 0.00 ATOM 308 CG ARG 37 3.207 12.615 -9.898 1.00 0.00 ATOM 309 CD ARG 37 4.303 13.295 -10.701 1.00 0.00 ATOM 310 NE ARG 37 4.433 12.706 -12.034 1.00 0.00 ATOM 311 CZ ARG 37 5.593 12.531 -12.671 1.00 0.00 ATOM 312 NH1 ARG 37 6.729 12.952 -12.125 1.00 0.00 ATOM 313 NH2 ARG 37 5.608 11.939 -13.855 1.00 0.00 ATOM 314 O ARG 37 3.603 8.409 -9.858 1.00 0.00 ATOM 315 C ARG 37 2.528 8.832 -9.442 1.00 0.00 ATOM 316 N ALA 38 1.526 8.046 -9.111 1.00 0.00 ATOM 317 CA ALA 38 1.589 6.610 -9.271 1.00 0.00 ATOM 318 CB ALA 38 2.104 5.959 -7.999 1.00 0.00 ATOM 319 O ALA 38 -0.798 6.604 -9.155 1.00 0.00 ATOM 320 C ALA 38 0.213 6.077 -9.626 1.00 0.00 ATOM 321 N PRO 39 0.158 5.056 -10.486 1.00 0.00 ATOM 322 CA PRO 39 -1.100 4.413 -10.866 1.00 0.00 ATOM 323 CB PRO 39 -0.668 3.288 -11.815 1.00 0.00 ATOM 324 CG PRO 39 0.686 3.681 -12.295 1.00 0.00 ATOM 325 CD PRO 39 1.316 4.454 -11.171 1.00 0.00 ATOM 326 O PRO 39 -1.196 3.384 -8.699 1.00 0.00 ATOM 327 C PRO 39 -1.827 3.832 -9.658 1.00 0.00 ATOM 328 N LEU 40 -3.149 3.853 -9.707 1.00 0.00 ATOM 329 CA LEU 40 -3.959 3.297 -8.641 1.00 0.00 ATOM 330 CB LEU 40 -5.429 3.671 -8.830 1.00 0.00 ATOM 331 CG LEU 40 -5.858 5.012 -8.222 1.00 0.00 ATOM 332 CD1 LEU 40 -5.624 5.019 -6.718 1.00 0.00 ATOM 333 CD2 LEU 40 -5.120 6.171 -8.876 1.00 0.00 ATOM 334 O LEU 40 -4.113 1.090 -9.565 1.00 0.00 ATOM 335 C LEU 40 -3.804 1.784 -8.593 1.00 0.00 ATOM 336 N PRO 41 -3.306 1.257 -7.465 1.00 0.00 ATOM 337 CA PRO 41 -3.089 -0.177 -7.293 1.00 0.00 ATOM 338 CB PRO 41 -2.523 -0.310 -5.879 1.00 0.00 ATOM 339 CG PRO 41 -2.838 0.979 -5.197 1.00 0.00 ATOM 340 CD PRO 41 -2.902 2.022 -6.275 1.00 0.00 ATOM 341 O PRO 41 -5.454 -0.531 -7.043 1.00 0.00 ATOM 342 C PRO 41 -4.371 -0.980 -7.426 1.00 0.00 ATOM 343 N THR 42 -4.240 -2.172 -7.966 1.00 0.00 ATOM 344 CA THR 42 -5.388 -3.027 -8.205 1.00 0.00 ATOM 345 CB THR 42 -5.223 -3.819 -9.518 1.00 0.00 ATOM 346 CG2 THR 42 -5.512 -2.941 -10.725 1.00 0.00 ATOM 347 OG1 THR 42 -3.888 -4.345 -9.616 1.00 0.00 ATOM 348 O THR 42 -4.774 -4.047 -6.128 1.00 0.00 ATOM 349 C THR 42 -5.603 -3.980 -7.037 1.00 0.00 ATOM 350 N GLN 43 -6.720 -4.697 -7.058 1.00 0.00 ATOM 351 CA GLN 43 -7.060 -5.639 -5.996 1.00 0.00 ATOM 352 CB GLN 43 -8.337 -6.394 -6.358 1.00 0.00 ATOM 353 CG GLN 43 -8.861 -7.296 -5.249 1.00 0.00 ATOM 354 CD GLN 43 -9.101 -6.552 -3.946 1.00 0.00 ATOM 355 OE1 GLN 43 -10.187 -6.024 -3.709 1.00 0.00 ATOM 356 NE2 GLN 43 -8.097 -6.518 -3.082 1.00 0.00 ATOM 357 O GLN 43 -5.465 -6.807 -4.642 1.00 0.00 ATOM 358 C GLN 43 -5.926 -6.626 -5.770 1.00 0.00 ATOM 359 N ALA 44 -5.484 -7.246 -6.853 1.00 0.00 ATOM 360 CA ALA 44 -4.376 -8.195 -6.803 1.00 0.00 ATOM 361 CB ALA 44 -4.077 -8.721 -8.197 1.00 0.00 ATOM 362 O ALA 44 -2.447 -8.168 -5.370 1.00 0.00 ATOM 363 C ALA 44 -3.127 -7.558 -6.193 1.00 0.00 ATOM 364 N GLU 45 -2.844 -6.320 -6.586 1.00 0.00 ATOM 365 CA GLU 45 -1.690 -5.591 -6.069 1.00 0.00 ATOM 366 CB GLU 45 -1.556 -4.254 -6.789 1.00 0.00 ATOM 367 CG GLU 45 -1.010 -4.380 -8.195 1.00 0.00 ATOM 368 CD GLU 45 -0.906 -3.045 -8.890 1.00 0.00 ATOM 369 OE1 GLU 45 -1.936 -2.563 -9.410 1.00 0.00 ATOM 370 OE2 GLU 45 0.204 -2.480 -8.927 1.00 0.00 ATOM 371 O GLU 45 -0.892 -5.669 -3.805 1.00 0.00 ATOM 372 C GLU 45 -1.814 -5.369 -4.566 1.00 0.00 ATOM 373 N LEU 46 -2.969 -4.859 -4.147 1.00 0.00 ATOM 374 CA LEU 46 -3.235 -4.595 -2.744 1.00 0.00 ATOM 375 CB LEU 46 -4.644 -4.017 -2.586 1.00 0.00 ATOM 376 CG LEU 46 -4.889 -2.699 -3.320 1.00 0.00 ATOM 377 CD1 LEU 46 -6.332 -2.260 -3.143 1.00 0.00 ATOM 378 CD2 LEU 46 -3.936 -1.624 -2.817 1.00 0.00 ATOM 379 O LEU 46 -2.479 -5.870 -0.854 1.00 0.00 ATOM 380 C LEU 46 -3.094 -5.870 -1.920 1.00 0.00 ATOM 381 N GLU 47 -3.654 -6.958 -2.434 1.00 0.00 ATOM 382 CA GLU 47 -3.573 -8.242 -1.764 1.00 0.00 ATOM 383 CB GLU 47 -4.451 -9.276 -2.459 1.00 0.00 ATOM 384 CG GLU 47 -5.932 -9.011 -2.293 1.00 0.00 ATOM 385 CD GLU 47 -6.779 -10.123 -2.865 1.00 0.00 ATOM 386 OE1 GLU 47 -7.004 -11.124 -2.148 1.00 0.00 ATOM 387 OE2 GLU 47 -7.221 -10.006 -4.022 1.00 0.00 ATOM 388 O GLU 47 -1.694 -9.206 -0.667 1.00 0.00 ATOM 389 C GLU 47 -2.136 -8.739 -1.704 1.00 0.00 ATOM 390 N THR 48 -1.410 -8.619 -2.810 1.00 0.00 ATOM 391 CA THR 48 -0.028 -9.090 -2.877 1.00 0.00 ATOM 392 CB THR 48 0.564 -8.873 -4.286 1.00 0.00 ATOM 393 CG2 THR 48 2.027 -9.293 -4.349 1.00 0.00 ATOM 394 OG1 THR 48 -0.188 -9.625 -5.244 1.00 0.00 ATOM 395 O THR 48 1.649 -9.060 -1.163 1.00 0.00 ATOM 396 C THR 48 0.853 -8.403 -1.834 1.00 0.00 ATOM 397 N TRP 49 0.702 -7.091 -1.684 1.00 0.00 ATOM 398 CA TRP 49 1.467 -6.354 -0.683 1.00 0.00 ATOM 399 CB TRP 49 1.187 -4.850 -0.769 1.00 0.00 ATOM 400 CG TRP 49 1.642 -4.225 -2.054 1.00 0.00 ATOM 401 CD1 TRP 49 2.612 -4.690 -2.895 1.00 0.00 ATOM 402 CD2 TRP 49 1.160 -3.008 -2.635 1.00 0.00 ATOM 403 CE2 TRP 49 1.874 -2.805 -3.832 1.00 0.00 ATOM 404 CE3 TRP 49 0.191 -2.073 -2.263 1.00 0.00 ATOM 405 NE1 TRP 49 2.753 -3.845 -3.967 1.00 0.00 ATOM 406 CZ2 TRP 49 1.650 -1.708 -4.657 1.00 0.00 ATOM 407 CZ3 TRP 49 -0.031 -0.983 -3.083 1.00 0.00 ATOM 408 CH2 TRP 49 0.696 -0.808 -4.268 1.00 0.00 ATOM 409 O TRP 49 2.037 -7.031 1.544 1.00 0.00 ATOM 410 C TRP 49 1.146 -6.869 0.714 1.00 0.00 ATOM 411 N TRP 50 -0.129 -7.146 0.951 1.00 0.00 ATOM 412 CA TRP 50 -0.579 -7.701 2.223 1.00 0.00 ATOM 413 CB TRP 50 -2.114 -7.711 2.258 1.00 0.00 ATOM 414 CG TRP 50 -2.706 -8.156 3.565 1.00 0.00 ATOM 415 CD1 TRP 50 -3.199 -9.395 3.864 1.00 0.00 ATOM 416 CD2 TRP 50 -2.868 -7.363 4.748 1.00 0.00 ATOM 417 CE2 TRP 50 -3.469 -8.183 5.722 1.00 0.00 ATOM 418 CE3 TRP 50 -2.567 -6.037 5.077 1.00 0.00 ATOM 419 NE1 TRP 50 -3.662 -9.418 5.157 1.00 0.00 ATOM 420 CZ2 TRP 50 -3.771 -7.721 7.002 1.00 0.00 ATOM 421 CZ3 TRP 50 -2.867 -5.581 6.349 1.00 0.00 ATOM 422 CH2 TRP 50 -3.464 -6.421 7.297 1.00 0.00 ATOM 423 O TRP 50 0.478 -9.465 3.472 1.00 0.00 ATOM 424 C TRP 50 -0.021 -9.111 2.408 1.00 0.00 ATOM 425 N GLU 51 -0.083 -9.902 1.349 1.00 0.00 ATOM 426 CA GLU 51 0.419 -11.256 1.361 1.00 0.00 ATOM 427 CB GLU 51 0.116 -11.915 0.018 1.00 0.00 ATOM 428 CG GLU 51 -1.367 -12.179 -0.209 1.00 0.00 ATOM 429 CD GLU 51 -1.665 -12.770 -1.571 1.00 0.00 ATOM 430 OE1 GLU 51 -1.170 -12.229 -2.582 1.00 0.00 ATOM 431 OE2 GLU 51 -2.426 -13.759 -1.638 1.00 0.00 ATOM 432 O GLU 51 2.395 -12.098 2.424 1.00 0.00 ATOM 433 C GLU 51 1.918 -11.278 1.646 1.00 0.00 ATOM 434 N GLU 52 2.652 -10.365 1.028 1.00 0.00 ATOM 435 CA GLU 52 4.093 -10.298 1.213 1.00 0.00 ATOM 436 CB GLU 52 4.742 -9.484 0.095 1.00 0.00 ATOM 437 CG GLU 52 4.727 -10.197 -1.246 1.00 0.00 ATOM 438 CD GLU 52 5.556 -9.491 -2.302 1.00 0.00 ATOM 439 OE1 GLU 52 6.767 -9.786 -2.399 1.00 0.00 ATOM 440 OE2 GLU 52 5.009 -8.648 -3.041 1.00 0.00 ATOM 441 O GLU 52 5.490 -10.076 3.150 1.00 0.00 ATOM 442 C GLU 52 4.463 -9.717 2.578 1.00 0.00 ATOM 443 N LEU 53 3.624 -8.828 3.095 1.00 0.00 ATOM 444 CA LEU 53 3.877 -8.190 4.381 1.00 0.00 ATOM 445 CB LEU 53 3.052 -6.906 4.500 1.00 0.00 ATOM 446 CG LEU 53 3.244 -6.119 5.799 1.00 0.00 ATOM 447 CD1 LEU 53 4.675 -5.614 5.910 1.00 0.00 ATOM 448 CD2 LEU 53 2.257 -4.964 5.875 1.00 0.00 ATOM 449 O LEU 53 4.267 -9.195 6.530 1.00 0.00 ATOM 450 C LEU 53 3.545 -9.132 5.534 1.00 0.00 ATOM 451 N GLN 54 2.459 -9.872 5.395 1.00 0.00 ATOM 452 CA GLN 54 2.005 -10.750 6.456 1.00 0.00 ATOM 453 CB GLN 54 0.489 -10.950 6.379 1.00 0.00 ATOM 454 CG GLN 54 -0.293 -10.042 7.324 1.00 0.00 ATOM 455 CD GLN 54 -0.041 -8.560 7.081 1.00 0.00 ATOM 456 OE1 GLN 54 0.194 -8.132 5.955 1.00 0.00 ATOM 457 NE2 GLN 54 -0.090 -7.764 8.138 1.00 0.00 ATOM 458 O GLN 54 2.795 -12.768 7.467 1.00 0.00 ATOM 459 C GLN 54 2.727 -12.094 6.438 1.00 0.00 ATOM 460 N LYS 55 3.269 -12.496 5.292 1.00 0.00 ATOM 461 CA LYS 55 4.030 -13.743 5.232 1.00 0.00 ATOM 462 CB LYS 55 3.940 -14.387 3.845 1.00 0.00 ATOM 463 CG LYS 55 4.502 -15.797 3.806 1.00 0.00 ATOM 464 CD LYS 55 4.668 -16.306 2.383 1.00 0.00 ATOM 465 CE LYS 55 5.342 -17.667 2.367 1.00 0.00 ATOM 466 NZ LYS 55 5.676 -18.120 0.991 1.00 0.00 ATOM 467 O LYS 55 6.235 -14.418 5.933 1.00 0.00 ATOM 468 C LYS 55 5.489 -13.493 5.598 1.00 0.00 ATOM 469 N ASN 56 5.874 -12.235 5.571 1.00 0.00 ATOM 470 CA ASN 56 7.238 -11.839 5.889 1.00 0.00 ATOM 471 CB ASN 56 8.016 -11.476 4.620 1.00 0.00 ATOM 472 CG ASN 56 9.424 -11.009 4.910 1.00 0.00 ATOM 473 ND2 ASN 56 9.588 -9.714 5.064 1.00 0.00 ATOM 474 OD1 ASN 56 10.355 -11.807 4.984 1.00 0.00 ATOM 475 O ASN 56 7.038 -9.517 6.430 1.00 0.00 ATOM 476 C ASN 56 7.235 -10.660 6.845 1.00 0.00 ATOM 477 N PRO 57 7.431 -10.927 8.140 1.00 0.00 ATOM 478 CA PRO 57 7.490 -9.877 9.152 1.00 0.00 ATOM 479 CB PRO 57 7.664 -10.643 10.469 1.00 0.00 ATOM 480 CG PRO 57 8.194 -11.979 10.074 1.00 0.00 ATOM 481 CD PRO 57 7.620 -12.269 8.717 1.00 0.00 ATOM 482 O PRO 57 9.812 -9.390 8.761 1.00 0.00 ATOM 483 C PRO 57 8.670 -8.939 8.910 1.00 0.00 ATOM 484 N PRO 58 8.406 -7.626 8.847 1.00 0.00 ATOM 485 CA PRO 58 9.448 -6.622 8.642 1.00 0.00 ATOM 486 CB PRO 58 8.697 -5.289 8.723 1.00 0.00 ATOM 487 CG PRO 58 7.271 -5.627 8.461 1.00 0.00 ATOM 488 CD PRO 58 7.070 -7.022 8.980 1.00 0.00 ATOM 489 O PRO 58 10.236 -7.075 10.866 1.00 0.00 ATOM 490 C PRO 58 10.517 -6.695 9.725 1.00 0.00 ATOM 491 N TYR 59 11.740 -6.341 9.371 1.00 0.00 ATOM 492 CA TYR 59 12.835 -6.375 10.320 1.00 0.00 ATOM 493 CB TYR 59 14.176 -6.508 9.610 1.00 0.00 ATOM 494 CG TYR 59 15.331 -6.791 10.544 1.00 0.00 ATOM 495 CD1 TYR 59 15.482 -8.045 11.122 1.00 0.00 ATOM 496 CD2 TYR 59 16.274 -5.815 10.839 1.00 0.00 ATOM 497 CE1 TYR 59 16.538 -8.320 11.968 1.00 0.00 ATOM 498 CE2 TYR 59 17.334 -6.081 11.687 1.00 0.00 ATOM 499 CZ TYR 59 17.462 -7.337 12.248 1.00 0.00 ATOM 500 OH TYR 59 18.523 -7.614 13.084 1.00 0.00 ATOM 501 O TYR 59 13.387 -4.095 10.826 1.00 0.00 ATOM 502 C TYR 59 12.797 -5.123 11.169 1.00 0.00 ATOM 503 N GLU 60 12.039 -5.215 12.241 1.00 0.00 ATOM 504 CA GLU 60 11.859 -4.118 13.173 1.00 0.00 ATOM 505 CB GLU 60 10.663 -4.403 14.083 1.00 0.00 ATOM 506 CG GLU 60 9.345 -4.519 13.333 1.00 0.00 ATOM 507 CD GLU 60 8.202 -4.962 14.220 1.00 0.00 ATOM 508 OE1 GLU 60 7.770 -6.129 14.107 1.00 0.00 ATOM 509 OE2 GLU 60 7.736 -4.151 15.047 1.00 0.00 ATOM 510 O GLU 60 13.561 -4.802 14.723 1.00 0.00 ATOM 511 C GLU 60 13.122 -3.907 13.999 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 T0351.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.717 # GDT_score = -31.250 # GDT_score(maxd=8.000,maxw=2.900)= -29.693 # GDT_score(maxd=8.000,maxw=3.200)= -28.941 # GDT_score(maxd=8.000,maxw=3.500)= -28.278 # GDT_score(maxd=10.000,maxw=3.800)= -30.327 # GDT_score(maxd=10.000,maxw=4.000)= -29.651 # GDT_score(maxd=10.000,maxw=4.200)= -28.969 # GDT_score(maxd=12.000,maxw=4.300)= -31.372 # GDT_score(maxd=12.000,maxw=4.500)= -30.646 # GDT_score(maxd=12.000,maxw=4.700)= -29.917 # GDT_score(maxd=14.000,maxw=5.200)= -30.466 # GDT_score(maxd=14.000,maxw=5.500)= -29.530 # command:# ReadConformPDB reading from PDB file T0351.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.583 # GDT_score = -23.750 # GDT_score(maxd=8.000,maxw=2.900)= -21.741 # GDT_score(maxd=8.000,maxw=3.200)= -21.113 # GDT_score(maxd=8.000,maxw=3.500)= -20.589 # GDT_score(maxd=10.000,maxw=3.800)= -22.624 # GDT_score(maxd=10.000,maxw=4.000)= -22.243 # GDT_score(maxd=10.000,maxw=4.200)= -21.898 # GDT_score(maxd=12.000,maxw=4.300)= -24.004 # GDT_score(maxd=12.000,maxw=4.500)= -23.604 # GDT_score(maxd=12.000,maxw=4.700)= -23.238 # GDT_score(maxd=14.000,maxw=5.200)= -24.190 # GDT_score(maxd=14.000,maxw=5.500)= -23.689 # command:# ReadConformPDB reading from PDB file T0351.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0351.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0351.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0351 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 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.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 T0351.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try8-opt1-scwrl.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0351.try8-opt1.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0351.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0351.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1746820649.pdb -s /var/tmp/to_scwrl_1746820649.seq -o /var/tmp/from_scwrl_1746820649.pdb > /var/tmp/scwrl_1746820649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1746820649.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_517414614.pdb -s /var/tmp/to_scwrl_517414614.seq -o /var/tmp/from_scwrl_517414614.pdb > /var/tmp/scwrl_517414614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_517414614.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 T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_297829013.pdb -s /var/tmp/to_scwrl_297829013.seq -o /var/tmp/from_scwrl_297829013.pdb > /var/tmp/scwrl_297829013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297829013.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 T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1451173615.pdb -s /var/tmp/to_scwrl_1451173615.seq -o /var/tmp/from_scwrl_1451173615.pdb > /var/tmp/scwrl_1451173615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1451173615.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 T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_778156897.pdb -s /var/tmp/to_scwrl_778156897.seq -o /var/tmp/from_scwrl_778156897.pdb > /var/tmp/scwrl_778156897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778156897.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 T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1728709239.pdb -s /var/tmp/to_scwrl_1728709239.seq -o /var/tmp/from_scwrl_1728709239.pdb > /var/tmp/scwrl_1728709239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1728709239.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 T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1756360439.pdb -s /var/tmp/to_scwrl_1756360439.seq -o /var/tmp/from_scwrl_1756360439.pdb > /var/tmp/scwrl_1756360439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1756360439.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 T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_304237291.pdb -s /var/tmp/to_scwrl_304237291.seq -o /var/tmp/from_scwrl_304237291.pdb > /var/tmp/scwrl_304237291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_304237291.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 T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1015567615.pdb -s /var/tmp/to_scwrl_1015567615.seq -o /var/tmp/from_scwrl_1015567615.pdb > /var/tmp/scwrl_1015567615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015567615.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 T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1266711595.pdb -s /var/tmp/to_scwrl_1266711595.seq -o /var/tmp/from_scwrl_1266711595.pdb > /var/tmp/scwrl_1266711595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266711595.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 T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1342060225.pdb -s /var/tmp/to_scwrl_1342060225.seq -o /var/tmp/from_scwrl_1342060225.pdb > /var/tmp/scwrl_1342060225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1342060225.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 T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_128359400.pdb -s /var/tmp/to_scwrl_128359400.seq -o /var/tmp/from_scwrl_128359400.pdb > /var/tmp/scwrl_128359400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_128359400.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1340351980.pdb -s /var/tmp/to_scwrl_1340351980.seq -o /var/tmp/from_scwrl_1340351980.pdb > /var/tmp/scwrl_1340351980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340351980.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 T0351 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_142822021.pdb -s /var/tmp/to_scwrl_142822021.seq -o /var/tmp/from_scwrl_142822021.pdb > /var/tmp/scwrl_142822021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142822021.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1933867739.pdb -s /var/tmp/to_scwrl_1933867739.seq -o /var/tmp/from_scwrl_1933867739.pdb > /var/tmp/scwrl_1933867739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933867739.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 104 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_805398345.pdb -s /var/tmp/to_scwrl_805398345.seq -o /var/tmp/from_scwrl_805398345.pdb > /var/tmp/scwrl_805398345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_805398345.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 66 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1011223083.pdb -s /var/tmp/to_scwrl_1011223083.seq -o /var/tmp/from_scwrl_1011223083.pdb > /var/tmp/scwrl_1011223083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1011223083.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 70 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_964513753.pdb -s /var/tmp/to_scwrl_964513753.seq -o /var/tmp/from_scwrl_964513753.pdb > /var/tmp/scwrl_964513753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_964513753.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 96 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1861028170.pdb -s /var/tmp/to_scwrl_1861028170.seq -o /var/tmp/from_scwrl_1861028170.pdb > /var/tmp/scwrl_1861028170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1861028170.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 107 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_568213276.pdb -s /var/tmp/to_scwrl_568213276.seq -o /var/tmp/from_scwrl_568213276.pdb > /var/tmp/scwrl_568213276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_568213276.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 85 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1202257356.pdb -s /var/tmp/to_scwrl_1202257356.seq -o /var/tmp/from_scwrl_1202257356.pdb > /var/tmp/scwrl_1202257356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1202257356.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 115 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1348388631.pdb -s /var/tmp/to_scwrl_1348388631.seq -o /var/tmp/from_scwrl_1348388631.pdb > /var/tmp/scwrl_1348388631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1348388631.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 100 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1544382754.pdb -s /var/tmp/to_scwrl_1544382754.seq -o /var/tmp/from_scwrl_1544382754.pdb > /var/tmp/scwrl_1544382754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544382754.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 116 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1615911533.pdb -s /var/tmp/to_scwrl_1615911533.seq -o /var/tmp/from_scwrl_1615911533.pdb > /var/tmp/scwrl_1615911533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1615911533.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 113 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1943080791.pdb -s /var/tmp/to_scwrl_1943080791.seq -o /var/tmp/from_scwrl_1943080791.pdb > /var/tmp/scwrl_1943080791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1943080791.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 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_114028446.pdb -s /var/tmp/to_scwrl_114028446.seq -o /var/tmp/from_scwrl_114028446.pdb > /var/tmp/scwrl_114028446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_114028446.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_512852900.pdb -s /var/tmp/to_scwrl_512852900.seq -o /var/tmp/from_scwrl_512852900.pdb > /var/tmp/scwrl_512852900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_512852900.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 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1442371310.pdb -s /var/tmp/to_scwrl_1442371310.seq -o /var/tmp/from_scwrl_1442371310.pdb > /var/tmp/scwrl_1442371310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1442371310.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 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_649841478.pdb -s /var/tmp/to_scwrl_649841478.seq -o /var/tmp/from_scwrl_649841478.pdb > /var/tmp/scwrl_649841478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_649841478.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 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1503985486.pdb -s /var/tmp/to_scwrl_1503985486.seq -o /var/tmp/from_scwrl_1503985486.pdb > /var/tmp/scwrl_1503985486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1503985486.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 116 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1155735111.pdb -s /var/tmp/to_scwrl_1155735111.seq -o /var/tmp/from_scwrl_1155735111.pdb > /var/tmp/scwrl_1155735111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1155735111.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 109 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_249178480.pdb -s /var/tmp/to_scwrl_249178480.seq -o /var/tmp/from_scwrl_249178480.pdb > /var/tmp/scwrl_249178480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249178480.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2021400100.pdb -s /var/tmp/to_scwrl_2021400100.seq -o /var/tmp/from_scwrl_2021400100.pdb > /var/tmp/scwrl_2021400100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2021400100.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1453564125.pdb -s /var/tmp/to_scwrl_1453564125.seq -o /var/tmp/from_scwrl_1453564125.pdb > /var/tmp/scwrl_1453564125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1453564125.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1700352095.pdb -s /var/tmp/to_scwrl_1700352095.seq -o /var/tmp/from_scwrl_1700352095.pdb > /var/tmp/scwrl_1700352095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700352095.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 T0351 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_652073350.pdb -s /var/tmp/to_scwrl_652073350.seq -o /var/tmp/from_scwrl_652073350.pdb > /var/tmp/scwrl_652073350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652073350.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 T0351 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1034789718.pdb -s /var/tmp/to_scwrl_1034789718.seq -o /var/tmp/from_scwrl_1034789718.pdb > /var/tmp/scwrl_1034789718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1034789718.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 T0351 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1309228887.pdb -s /var/tmp/to_scwrl_1309228887.seq -o /var/tmp/from_scwrl_1309228887.pdb > /var/tmp/scwrl_1309228887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1309228887.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 T0351 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_956310641.pdb -s /var/tmp/to_scwrl_956310641.seq -o /var/tmp/from_scwrl_956310641.pdb > /var/tmp/scwrl_956310641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956310641.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 T0351 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2050357332.pdb -s /var/tmp/to_scwrl_2050357332.seq -o /var/tmp/from_scwrl_2050357332.pdb > /var/tmp/scwrl_2050357332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050357332.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 T0351 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_428456836.pdb -s /var/tmp/to_scwrl_428456836.seq -o /var/tmp/from_scwrl_428456836.pdb > /var/tmp/scwrl_428456836.log Error: can't open any of /var/tmp/from_scwrl_428456836.pdb or /var/tmp/from_scwrl_428456836_b.pdb or /var/tmp/from_scwrl_428456836_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 T0351 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_150887219.pdb -s /var/tmp/to_scwrl_150887219.seq -o /var/tmp/from_scwrl_150887219.pdb > /var/tmp/scwrl_150887219.log Error: can't open any of /var/tmp/from_scwrl_150887219.pdb or /var/tmp/from_scwrl_150887219_b.pdb or /var/tmp/from_scwrl_150887219_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 T0351 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_31233085.pdb -s /var/tmp/to_scwrl_31233085.seq -o /var/tmp/from_scwrl_31233085.pdb > /var/tmp/scwrl_31233085.log Error: can't open any of /var/tmp/from_scwrl_31233085.pdb or /var/tmp/from_scwrl_31233085_b.pdb or /var/tmp/from_scwrl_31233085_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 T0351 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1768808816.pdb -s /var/tmp/to_scwrl_1768808816.seq -o /var/tmp/from_scwrl_1768808816.pdb > /var/tmp/scwrl_1768808816.log Error: can't open any of /var/tmp/from_scwrl_1768808816.pdb or /var/tmp/from_scwrl_1768808816_b.pdb or /var/tmp/from_scwrl_1768808816_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 T0351 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_293709240.pdb -s /var/tmp/to_scwrl_293709240.seq -o /var/tmp/from_scwrl_293709240.pdb > /var/tmp/scwrl_293709240.log Error: can't open any of /var/tmp/from_scwrl_293709240.pdb or /var/tmp/from_scwrl_293709240_b.pdb or /var/tmp/from_scwrl_293709240_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 109 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1965100824.pdb -s /var/tmp/to_scwrl_1965100824.seq -o /var/tmp/from_scwrl_1965100824.pdb > /var/tmp/scwrl_1965100824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965100824.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_426723514.pdb -s /var/tmp/to_scwrl_426723514.seq -o /var/tmp/from_scwrl_426723514.pdb > /var/tmp/scwrl_426723514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_426723514.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1304932322.pdb -s /var/tmp/to_scwrl_1304932322.seq -o /var/tmp/from_scwrl_1304932322.pdb > /var/tmp/scwrl_1304932322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304932322.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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_782130931.pdb -s /var/tmp/to_scwrl_782130931.seq -o /var/tmp/from_scwrl_782130931.pdb > /var/tmp/scwrl_782130931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_782130931.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 T0351 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_140268037.pdb -s /var/tmp/to_scwrl_140268037.seq -o /var/tmp/from_scwrl_140268037.pdb > /var/tmp/scwrl_140268037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140268037.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 116 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1873145598.pdb -s /var/tmp/to_scwrl_1873145598.seq -o /var/tmp/from_scwrl_1873145598.pdb > /var/tmp/scwrl_1873145598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873145598.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 116 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1984388287.pdb -s /var/tmp/to_scwrl_1984388287.seq -o /var/tmp/from_scwrl_1984388287.pdb > /var/tmp/scwrl_1984388287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1984388287.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 116 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1488656668.pdb -s /var/tmp/to_scwrl_1488656668.seq -o /var/tmp/from_scwrl_1488656668.pdb > /var/tmp/scwrl_1488656668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1488656668.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1270044706.pdb -s /var/tmp/to_scwrl_1270044706.seq -o /var/tmp/from_scwrl_1270044706.pdb > /var/tmp/scwrl_1270044706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1270044706.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1452816173.pdb -s /var/tmp/to_scwrl_1452816173.seq -o /var/tmp/from_scwrl_1452816173.pdb > /var/tmp/scwrl_1452816173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1452816173.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 91 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1284253813.pdb -s /var/tmp/to_scwrl_1284253813.seq -o /var/tmp/from_scwrl_1284253813.pdb > /var/tmp/scwrl_1284253813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284253813.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 106 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1384073152.pdb -s /var/tmp/to_scwrl_1384073152.seq -o /var/tmp/from_scwrl_1384073152.pdb > /var/tmp/scwrl_1384073152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1384073152.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 73 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1965669074.pdb -s /var/tmp/to_scwrl_1965669074.seq -o /var/tmp/from_scwrl_1965669074.pdb > /var/tmp/scwrl_1965669074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965669074.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 88 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_579141477.pdb -s /var/tmp/to_scwrl_579141477.seq -o /var/tmp/from_scwrl_579141477.pdb > /var/tmp/scwrl_579141477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579141477.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 41 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2033914630.pdb -s /var/tmp/to_scwrl_2033914630.seq -o /var/tmp/from_scwrl_2033914630.pdb > /var/tmp/scwrl_2033914630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033914630.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 T0351 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1322170913.pdb -s /var/tmp/to_scwrl_1322170913.seq -o /var/tmp/from_scwrl_1322170913.pdb > /var/tmp/scwrl_1322170913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1322170913.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 T0351 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1734876589.pdb -s /var/tmp/to_scwrl_1734876589.seq -o /var/tmp/from_scwrl_1734876589.pdb > /var/tmp/scwrl_1734876589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734876589.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 T0351 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_135609463.pdb -s /var/tmp/to_scwrl_135609463.seq -o /var/tmp/from_scwrl_135609463.pdb > /var/tmp/scwrl_135609463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_135609463.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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1196087366.pdb -s /var/tmp/to_scwrl_1196087366.seq -o /var/tmp/from_scwrl_1196087366.pdb > /var/tmp/scwrl_1196087366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1196087366.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 T0351 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1040957068.pdb -s /var/tmp/to_scwrl_1040957068.seq -o /var/tmp/from_scwrl_1040957068.pdb > /var/tmp/scwrl_1040957068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1040957068.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 T0351 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1835961558.pdb -s /var/tmp/to_scwrl_1835961558.seq -o /var/tmp/from_scwrl_1835961558.pdb > /var/tmp/scwrl_1835961558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1835961558.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 T0351 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1848160716.pdb -s /var/tmp/to_scwrl_1848160716.seq -o /var/tmp/from_scwrl_1848160716.pdb > /var/tmp/scwrl_1848160716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848160716.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 T0351 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2075746785.pdb -s /var/tmp/to_scwrl_2075746785.seq -o /var/tmp/from_scwrl_2075746785.pdb > /var/tmp/scwrl_2075746785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2075746785.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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_997706800.pdb -s /var/tmp/to_scwrl_997706800.seq -o /var/tmp/from_scwrl_997706800.pdb > /var/tmp/scwrl_997706800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_997706800.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 T0351 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_656987710.pdb -s /var/tmp/to_scwrl_656987710.seq -o /var/tmp/from_scwrl_656987710.pdb > /var/tmp/scwrl_656987710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_656987710.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 46 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1978620470.pdb -s /var/tmp/to_scwrl_1978620470.seq -o /var/tmp/from_scwrl_1978620470.pdb > /var/tmp/scwrl_1978620470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978620470.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 116 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1426163635.pdb -s /var/tmp/to_scwrl_1426163635.seq -o /var/tmp/from_scwrl_1426163635.pdb > /var/tmp/scwrl_1426163635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1426163635.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 116 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_807874929.pdb -s /var/tmp/to_scwrl_807874929.seq -o /var/tmp/from_scwrl_807874929.pdb > /var/tmp/scwrl_807874929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807874929.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 116 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2009853555.pdb -s /var/tmp/to_scwrl_2009853555.seq -o /var/tmp/from_scwrl_2009853555.pdb > /var/tmp/scwrl_2009853555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2009853555.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 114 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1047488806.pdb -s /var/tmp/to_scwrl_1047488806.seq -o /var/tmp/from_scwrl_1047488806.pdb > /var/tmp/scwrl_1047488806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047488806.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 88 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1101584168.pdb -s /var/tmp/to_scwrl_1101584168.seq -o /var/tmp/from_scwrl_1101584168.pdb > /var/tmp/scwrl_1101584168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101584168.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1827470732.pdb -s /var/tmp/to_scwrl_1827470732.seq -o /var/tmp/from_scwrl_1827470732.pdb > /var/tmp/scwrl_1827470732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1827470732.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1474212319.pdb -s /var/tmp/to_scwrl_1474212319.seq -o /var/tmp/from_scwrl_1474212319.pdb > /var/tmp/scwrl_1474212319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1474212319.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_259032845.pdb -s /var/tmp/to_scwrl_259032845.seq -o /var/tmp/from_scwrl_259032845.pdb > /var/tmp/scwrl_259032845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_259032845.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_462118016.pdb -s /var/tmp/to_scwrl_462118016.seq -o /var/tmp/from_scwrl_462118016.pdb > /var/tmp/scwrl_462118016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_462118016.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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1614480357.pdb -s /var/tmp/to_scwrl_1614480357.seq -o /var/tmp/from_scwrl_1614480357.pdb > /var/tmp/scwrl_1614480357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1614480357.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 T0351 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2132178443.pdb -s /var/tmp/to_scwrl_2132178443.seq -o /var/tmp/from_scwrl_2132178443.pdb > /var/tmp/scwrl_2132178443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2132178443.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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_299022656.pdb -s /var/tmp/to_scwrl_299022656.seq -o /var/tmp/from_scwrl_299022656.pdb > /var/tmp/scwrl_299022656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_299022656.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 T0351 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_955653379.pdb -s /var/tmp/to_scwrl_955653379.seq -o /var/tmp/from_scwrl_955653379.pdb > /var/tmp/scwrl_955653379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_955653379.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 T0351 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1254739502.pdb -s /var/tmp/to_scwrl_1254739502.seq -o /var/tmp/from_scwrl_1254739502.pdb > /var/tmp/scwrl_1254739502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1254739502.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1751838830.pdb -s /var/tmp/to_scwrl_1751838830.seq -o /var/tmp/from_scwrl_1751838830.pdb > /var/tmp/scwrl_1751838830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1751838830.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 113 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_92423545.pdb -s /var/tmp/to_scwrl_92423545.seq -o /var/tmp/from_scwrl_92423545.pdb > /var/tmp/scwrl_92423545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92423545.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 111 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_491329009.pdb -s /var/tmp/to_scwrl_491329009.seq -o /var/tmp/from_scwrl_491329009.pdb > /var/tmp/scwrl_491329009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_491329009.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1570024257.pdb -s /var/tmp/to_scwrl_1570024257.seq -o /var/tmp/from_scwrl_1570024257.pdb > /var/tmp/scwrl_1570024257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1570024257.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 110 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_671565023.pdb -s /var/tmp/to_scwrl_671565023.seq -o /var/tmp/from_scwrl_671565023.pdb > /var/tmp/scwrl_671565023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671565023.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_377759992.pdb -s /var/tmp/to_scwrl_377759992.seq -o /var/tmp/from_scwrl_377759992.pdb > /var/tmp/scwrl_377759992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377759992.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_744711524.pdb -s /var/tmp/to_scwrl_744711524.seq -o /var/tmp/from_scwrl_744711524.pdb > /var/tmp/scwrl_744711524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_744711524.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_258957965.pdb -s /var/tmp/to_scwrl_258957965.seq -o /var/tmp/from_scwrl_258957965.pdb > /var/tmp/scwrl_258957965.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_258957965.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_513369456.pdb -s /var/tmp/to_scwrl_513369456.seq -o /var/tmp/from_scwrl_513369456.pdb > /var/tmp/scwrl_513369456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_513369456.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1940798890.pdb -s /var/tmp/to_scwrl_1940798890.seq -o /var/tmp/from_scwrl_1940798890.pdb > /var/tmp/scwrl_1940798890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1940798890.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 T0351 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1299915032.pdb -s /var/tmp/to_scwrl_1299915032.seq -o /var/tmp/from_scwrl_1299915032.pdb > /var/tmp/scwrl_1299915032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1299915032.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_201847367.pdb -s /var/tmp/to_scwrl_201847367.seq -o /var/tmp/from_scwrl_201847367.pdb > /var/tmp/scwrl_201847367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201847367.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1641475959.pdb -s /var/tmp/to_scwrl_1641475959.seq -o /var/tmp/from_scwrl_1641475959.pdb > /var/tmp/scwrl_1641475959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1641475959.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1228178170.pdb -s /var/tmp/to_scwrl_1228178170.seq -o /var/tmp/from_scwrl_1228178170.pdb > /var/tmp/scwrl_1228178170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228178170.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 72 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1199554166.pdb -s /var/tmp/to_scwrl_1199554166.seq -o /var/tmp/from_scwrl_1199554166.pdb > /var/tmp/scwrl_1199554166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1199554166.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 64 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_150980022.pdb -s /var/tmp/to_scwrl_150980022.seq -o /var/tmp/from_scwrl_150980022.pdb > /var/tmp/scwrl_150980022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150980022.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 T0351 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1059314994.pdb -s /var/tmp/to_scwrl_1059314994.seq -o /var/tmp/from_scwrl_1059314994.pdb > /var/tmp/scwrl_1059314994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059314994.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 T0351 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_478234156.pdb -s /var/tmp/to_scwrl_478234156.seq -o /var/tmp/from_scwrl_478234156.pdb > /var/tmp/scwrl_478234156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478234156.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 T0351 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_958854951.pdb -s /var/tmp/to_scwrl_958854951.seq -o /var/tmp/from_scwrl_958854951.pdb > /var/tmp/scwrl_958854951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_958854951.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 T0351 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_921684902.pdb -s /var/tmp/to_scwrl_921684902.seq -o /var/tmp/from_scwrl_921684902.pdb > /var/tmp/scwrl_921684902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_921684902.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 T0351 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1525722961.pdb -s /var/tmp/to_scwrl_1525722961.seq -o /var/tmp/from_scwrl_1525722961.pdb > /var/tmp/scwrl_1525722961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525722961.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 T0351 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2060439119.pdb -s /var/tmp/to_scwrl_2060439119.seq -o /var/tmp/from_scwrl_2060439119.pdb > /var/tmp/scwrl_2060439119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2060439119.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 T0351 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_601671987.pdb -s /var/tmp/to_scwrl_601671987.seq -o /var/tmp/from_scwrl_601671987.pdb > /var/tmp/scwrl_601671987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_601671987.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 T0351 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_852451634.pdb -s /var/tmp/to_scwrl_852451634.seq -o /var/tmp/from_scwrl_852451634.pdb > /var/tmp/scwrl_852451634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852451634.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 T0351 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_171988317.pdb -s /var/tmp/to_scwrl_171988317.seq -o /var/tmp/from_scwrl_171988317.pdb > /var/tmp/scwrl_171988317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171988317.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 T0351 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1063790004.pdb -s /var/tmp/to_scwrl_1063790004.seq -o /var/tmp/from_scwrl_1063790004.pdb > /var/tmp/scwrl_1063790004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1063790004.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 106 ; scwrl -i /var/tmp/to_scwrl_319448344.pdb -s /var/tmp/to_scwrl_319448344.seq -o /var/tmp/from_scwrl_319448344.pdb > /var/tmp/scwrl_319448344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_319448344.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_156683114.pdb -s /var/tmp/to_scwrl_156683114.seq -o /var/tmp/from_scwrl_156683114.pdb > /var/tmp/scwrl_156683114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_156683114.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1362812659.pdb -s /var/tmp/to_scwrl_1362812659.seq -o /var/tmp/from_scwrl_1362812659.pdb > /var/tmp/scwrl_1362812659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1362812659.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1275101723.pdb -s /var/tmp/to_scwrl_1275101723.seq -o /var/tmp/from_scwrl_1275101723.pdb > /var/tmp/scwrl_1275101723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1275101723.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1411422616.pdb -s /var/tmp/to_scwrl_1411422616.seq -o /var/tmp/from_scwrl_1411422616.pdb > /var/tmp/scwrl_1411422616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411422616.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 104 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_967167843.pdb -s /var/tmp/to_scwrl_967167843.seq -o /var/tmp/from_scwrl_967167843.pdb > /var/tmp/scwrl_967167843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_967167843.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1367525268.pdb -s /var/tmp/to_scwrl_1367525268.seq -o /var/tmp/from_scwrl_1367525268.pdb > /var/tmp/scwrl_1367525268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1367525268.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1902751625.pdb -s /var/tmp/to_scwrl_1902751625.seq -o /var/tmp/from_scwrl_1902751625.pdb > /var/tmp/scwrl_1902751625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1902751625.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_389708453.pdb -s /var/tmp/to_scwrl_389708453.seq -o /var/tmp/from_scwrl_389708453.pdb > /var/tmp/scwrl_389708453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_389708453.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2039090291.pdb -s /var/tmp/to_scwrl_2039090291.seq -o /var/tmp/from_scwrl_2039090291.pdb > /var/tmp/scwrl_2039090291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2039090291.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 106 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_133027971.pdb -s /var/tmp/to_scwrl_133027971.seq -o /var/tmp/from_scwrl_133027971.pdb > /var/tmp/scwrl_133027971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_133027971.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 113 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1134419976.pdb -s /var/tmp/to_scwrl_1134419976.seq -o /var/tmp/from_scwrl_1134419976.pdb > /var/tmp/scwrl_1134419976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134419976.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 115 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_150564609.pdb -s /var/tmp/to_scwrl_150564609.seq -o /var/tmp/from_scwrl_150564609.pdb > /var/tmp/scwrl_150564609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150564609.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 99 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_646397427.pdb -s /var/tmp/to_scwrl_646397427.seq -o /var/tmp/from_scwrl_646397427.pdb > /var/tmp/scwrl_646397427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_646397427.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 103 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_927735220.pdb -s /var/tmp/to_scwrl_927735220.seq -o /var/tmp/from_scwrl_927735220.pdb > /var/tmp/scwrl_927735220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927735220.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 113 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1450479641.pdb -s /var/tmp/to_scwrl_1450479641.seq -o /var/tmp/from_scwrl_1450479641.pdb > /var/tmp/scwrl_1450479641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1450479641.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_848244794.pdb -s /var/tmp/to_scwrl_848244794.seq -o /var/tmp/from_scwrl_848244794.pdb > /var/tmp/scwrl_848244794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848244794.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 89 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_421727532.pdb -s /var/tmp/to_scwrl_421727532.seq -o /var/tmp/from_scwrl_421727532.pdb > /var/tmp/scwrl_421727532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_421727532.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 92 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_531174165.pdb -s /var/tmp/to_scwrl_531174165.seq -o /var/tmp/from_scwrl_531174165.pdb > /var/tmp/scwrl_531174165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_531174165.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2047798961.pdb -s /var/tmp/to_scwrl_2047798961.seq -o /var/tmp/from_scwrl_2047798961.pdb > /var/tmp/scwrl_2047798961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2047798961.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 114 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_572707554.pdb -s /var/tmp/to_scwrl_572707554.seq -o /var/tmp/from_scwrl_572707554.pdb > /var/tmp/scwrl_572707554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_572707554.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 97 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1590489158.pdb -s /var/tmp/to_scwrl_1590489158.seq -o /var/tmp/from_scwrl_1590489158.pdb > /var/tmp/scwrl_1590489158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590489158.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 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_378549470.pdb -s /var/tmp/to_scwrl_378549470.seq -o /var/tmp/from_scwrl_378549470.pdb > /var/tmp/scwrl_378549470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378549470.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 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1531562504.pdb -s /var/tmp/to_scwrl_1531562504.seq -o /var/tmp/from_scwrl_1531562504.pdb > /var/tmp/scwrl_1531562504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1531562504.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_364690413.pdb -s /var/tmp/to_scwrl_364690413.seq -o /var/tmp/from_scwrl_364690413.pdb > /var/tmp/scwrl_364690413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364690413.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 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1904272431.pdb -s /var/tmp/to_scwrl_1904272431.seq -o /var/tmp/from_scwrl_1904272431.pdb > /var/tmp/scwrl_1904272431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1904272431.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 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1444517977.pdb -s /var/tmp/to_scwrl_1444517977.seq -o /var/tmp/from_scwrl_1444517977.pdb > /var/tmp/scwrl_1444517977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1444517977.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_966362401.pdb -s /var/tmp/to_scwrl_966362401.seq -o /var/tmp/from_scwrl_966362401.pdb > /var/tmp/scwrl_966362401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_966362401.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_609240418.pdb -s /var/tmp/to_scwrl_609240418.seq -o /var/tmp/from_scwrl_609240418.pdb > /var/tmp/scwrl_609240418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_609240418.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1616506294.pdb -s /var/tmp/to_scwrl_1616506294.seq -o /var/tmp/from_scwrl_1616506294.pdb > /var/tmp/scwrl_1616506294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1616506294.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2030152404.pdb -s /var/tmp/to_scwrl_2030152404.seq -o /var/tmp/from_scwrl_2030152404.pdb > /var/tmp/scwrl_2030152404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030152404.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 109 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_928688763.pdb -s /var/tmp/to_scwrl_928688763.seq -o /var/tmp/from_scwrl_928688763.pdb > /var/tmp/scwrl_928688763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928688763.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1773189408.pdb -s /var/tmp/to_scwrl_1773189408.seq -o /var/tmp/from_scwrl_1773189408.pdb > /var/tmp/scwrl_1773189408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773189408.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 T0351 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1245481416.pdb -s /var/tmp/to_scwrl_1245481416.seq -o /var/tmp/from_scwrl_1245481416.pdb > /var/tmp/scwrl_1245481416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245481416.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_56306839.pdb -s /var/tmp/to_scwrl_56306839.seq -o /var/tmp/from_scwrl_56306839.pdb > /var/tmp/scwrl_56306839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56306839.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 T0351 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1037128379.pdb -s /var/tmp/to_scwrl_1037128379.seq -o /var/tmp/from_scwrl_1037128379.pdb > /var/tmp/scwrl_1037128379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037128379.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 T0351 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_65165613.pdb -s /var/tmp/to_scwrl_65165613.seq -o /var/tmp/from_scwrl_65165613.pdb > /var/tmp/scwrl_65165613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_65165613.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 T0351 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1423832107.pdb -s /var/tmp/to_scwrl_1423832107.seq -o /var/tmp/from_scwrl_1423832107.pdb > /var/tmp/scwrl_1423832107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423832107.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 T0351 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_792396357.pdb -s /var/tmp/to_scwrl_792396357.seq -o /var/tmp/from_scwrl_792396357.pdb > /var/tmp/scwrl_792396357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792396357.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 T0351 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_454874066.pdb -s /var/tmp/to_scwrl_454874066.seq -o /var/tmp/from_scwrl_454874066.pdb > /var/tmp/scwrl_454874066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_454874066.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 T0351 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1315438752.pdb -s /var/tmp/to_scwrl_1315438752.seq -o /var/tmp/from_scwrl_1315438752.pdb > /var/tmp/scwrl_1315438752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315438752.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 T0351 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_925424328.pdb -s /var/tmp/to_scwrl_925424328.seq -o /var/tmp/from_scwrl_925424328.pdb > /var/tmp/scwrl_925424328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_925424328.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 T0351 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1589294043.pdb -s /var/tmp/to_scwrl_1589294043.seq -o /var/tmp/from_scwrl_1589294043.pdb > /var/tmp/scwrl_1589294043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589294043.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1466003361.pdb -s /var/tmp/to_scwrl_1466003361.seq -o /var/tmp/from_scwrl_1466003361.pdb > /var/tmp/scwrl_1466003361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1466003361.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 24 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1571821754.pdb -s /var/tmp/to_scwrl_1571821754.seq -o /var/tmp/from_scwrl_1571821754.pdb > /var/tmp/scwrl_1571821754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1571821754.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 34 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_369545616.pdb -s /var/tmp/to_scwrl_369545616.seq -o /var/tmp/from_scwrl_369545616.pdb > /var/tmp/scwrl_369545616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_369545616.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 T0351 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_768999357.pdb -s /var/tmp/to_scwrl_768999357.seq -o /var/tmp/from_scwrl_768999357.pdb > /var/tmp/scwrl_768999357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_768999357.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 109 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_272582902.pdb -s /var/tmp/to_scwrl_272582902.seq -o /var/tmp/from_scwrl_272582902.pdb > /var/tmp/scwrl_272582902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_272582902.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 112 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_791273149.pdb -s /var/tmp/to_scwrl_791273149.seq -o /var/tmp/from_scwrl_791273149.pdb > /var/tmp/scwrl_791273149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_791273149.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1300173521.pdb -s /var/tmp/to_scwrl_1300173521.seq -o /var/tmp/from_scwrl_1300173521.pdb > /var/tmp/scwrl_1300173521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300173521.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 59 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_172898216.pdb -s /var/tmp/to_scwrl_172898216.seq -o /var/tmp/from_scwrl_172898216.pdb > /var/tmp/scwrl_172898216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_172898216.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 60 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1363980702.pdb -s /var/tmp/to_scwrl_1363980702.seq -o /var/tmp/from_scwrl_1363980702.pdb > /var/tmp/scwrl_1363980702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363980702.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 115 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_743179034.pdb -s /var/tmp/to_scwrl_743179034.seq -o /var/tmp/from_scwrl_743179034.pdb > /var/tmp/scwrl_743179034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743179034.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 77 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_551447686.pdb -s /var/tmp/to_scwrl_551447686.seq -o /var/tmp/from_scwrl_551447686.pdb > /var/tmp/scwrl_551447686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_551447686.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_748059561.pdb -s /var/tmp/to_scwrl_748059561.seq -o /var/tmp/from_scwrl_748059561.pdb > /var/tmp/scwrl_748059561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_748059561.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 57 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1107869446.pdb -s /var/tmp/to_scwrl_1107869446.seq -o /var/tmp/from_scwrl_1107869446.pdb > /var/tmp/scwrl_1107869446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107869446.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 116 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_308236470.pdb -s /var/tmp/to_scwrl_308236470.seq -o /var/tmp/from_scwrl_308236470.pdb > /var/tmp/scwrl_308236470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_308236470.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 115 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_45093891.pdb -s /var/tmp/to_scwrl_45093891.seq -o /var/tmp/from_scwrl_45093891.pdb > /var/tmp/scwrl_45093891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45093891.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 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2074231847.pdb -s /var/tmp/to_scwrl_2074231847.seq -o /var/tmp/from_scwrl_2074231847.pdb > /var/tmp/scwrl_2074231847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2074231847.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 81 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_917476888.pdb -s /var/tmp/to_scwrl_917476888.seq -o /var/tmp/from_scwrl_917476888.pdb > /var/tmp/scwrl_917476888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917476888.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 114 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1661600185.pdb -s /var/tmp/to_scwrl_1661600185.seq -o /var/tmp/from_scwrl_1661600185.pdb > /var/tmp/scwrl_1661600185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1661600185.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 76 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1956900604.pdb -s /var/tmp/to_scwrl_1956900604.seq -o /var/tmp/from_scwrl_1956900604.pdb > /var/tmp/scwrl_1956900604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956900604.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 9 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1846165650.pdb -s /var/tmp/to_scwrl_1846165650.seq -o /var/tmp/from_scwrl_1846165650.pdb > /var/tmp/scwrl_1846165650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1846165650.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 24 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1287305947.pdb -s /var/tmp/to_scwrl_1287305947.seq -o /var/tmp/from_scwrl_1287305947.pdb > /var/tmp/scwrl_1287305947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287305947.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1054898375.pdb -s /var/tmp/to_scwrl_1054898375.seq -o /var/tmp/from_scwrl_1054898375.pdb > /var/tmp/scwrl_1054898375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1054898375.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 37 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1902472489.pdb -s /var/tmp/to_scwrl_1902472489.seq -o /var/tmp/from_scwrl_1902472489.pdb > /var/tmp/scwrl_1902472489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1902472489.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_176950679.pdb -s /var/tmp/to_scwrl_176950679.seq -o /var/tmp/from_scwrl_176950679.pdb > /var/tmp/scwrl_176950679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176950679.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 109 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1120063987.pdb -s /var/tmp/to_scwrl_1120063987.seq -o /var/tmp/from_scwrl_1120063987.pdb > /var/tmp/scwrl_1120063987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120063987.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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1178820950.pdb -s /var/tmp/to_scwrl_1178820950.seq -o /var/tmp/from_scwrl_1178820950.pdb > /var/tmp/scwrl_1178820950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178820950.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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_969347036.pdb -s /var/tmp/to_scwrl_969347036.seq -o /var/tmp/from_scwrl_969347036.pdb > /var/tmp/scwrl_969347036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_969347036.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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1574938053.pdb -s /var/tmp/to_scwrl_1574938053.seq -o /var/tmp/from_scwrl_1574938053.pdb > /var/tmp/scwrl_1574938053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574938053.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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_346776056.pdb -s /var/tmp/to_scwrl_346776056.seq -o /var/tmp/from_scwrl_346776056.pdb > /var/tmp/scwrl_346776056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346776056.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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1894771364.pdb -s /var/tmp/to_scwrl_1894771364.seq -o /var/tmp/from_scwrl_1894771364.pdb > /var/tmp/scwrl_1894771364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1894771364.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 T0351 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1016748450.pdb -s /var/tmp/to_scwrl_1016748450.seq -o /var/tmp/from_scwrl_1016748450.pdb > /var/tmp/scwrl_1016748450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016748450.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 T0351 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1812779417.pdb -s /var/tmp/to_scwrl_1812779417.seq -o /var/tmp/from_scwrl_1812779417.pdb > /var/tmp/scwrl_1812779417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812779417.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 T0351 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1319109471.pdb -s /var/tmp/to_scwrl_1319109471.seq -o /var/tmp/from_scwrl_1319109471.pdb > /var/tmp/scwrl_1319109471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319109471.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 T0351 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1386294066.pdb -s /var/tmp/to_scwrl_1386294066.seq -o /var/tmp/from_scwrl_1386294066.pdb > /var/tmp/scwrl_1386294066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386294066.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 T0351 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_434295127.pdb -s /var/tmp/to_scwrl_434295127.seq -o /var/tmp/from_scwrl_434295127.pdb > /var/tmp/scwrl_434295127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434295127.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1591692373.pdb -s /var/tmp/to_scwrl_1591692373.seq -o /var/tmp/from_scwrl_1591692373.pdb > /var/tmp/scwrl_1591692373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1591692373.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 T0351 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_30083568.pdb -s /var/tmp/to_scwrl_30083568.seq -o /var/tmp/from_scwrl_30083568.pdb > /var/tmp/scwrl_30083568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_30083568.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 T0351 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1734468649.pdb -s /var/tmp/to_scwrl_1734468649.seq -o /var/tmp/from_scwrl_1734468649.pdb > /var/tmp/scwrl_1734468649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734468649.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 T0351 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1764590589.pdb -s /var/tmp/to_scwrl_1764590589.seq -o /var/tmp/from_scwrl_1764590589.pdb > /var/tmp/scwrl_1764590589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1764590589.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 T0351 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1394064270.pdb -s /var/tmp/to_scwrl_1394064270.seq -o /var/tmp/from_scwrl_1394064270.pdb > /var/tmp/scwrl_1394064270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394064270.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_330164036.pdb -s /var/tmp/to_scwrl_330164036.seq -o /var/tmp/from_scwrl_330164036.pdb > /var/tmp/scwrl_330164036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_330164036.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 58 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_168554628.pdb -s /var/tmp/to_scwrl_168554628.seq -o /var/tmp/from_scwrl_168554628.pdb > /var/tmp/scwrl_168554628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_168554628.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 90 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2142123831.pdb -s /var/tmp/to_scwrl_2142123831.seq -o /var/tmp/from_scwrl_2142123831.pdb > /var/tmp/scwrl_2142123831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2142123831.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 106 ; scwrl -i /var/tmp/to_scwrl_1438033482.pdb -s /var/tmp/to_scwrl_1438033482.seq -o /var/tmp/from_scwrl_1438033482.pdb > /var/tmp/scwrl_1438033482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1438033482.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 68 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_476791098.pdb -s /var/tmp/to_scwrl_476791098.seq -o /var/tmp/from_scwrl_476791098.pdb > /var/tmp/scwrl_476791098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_476791098.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 108 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_39734075.pdb -s /var/tmp/to_scwrl_39734075.seq -o /var/tmp/from_scwrl_39734075.pdb > /var/tmp/scwrl_39734075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_39734075.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 101 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1364781683.pdb -s /var/tmp/to_scwrl_1364781683.seq -o /var/tmp/from_scwrl_1364781683.pdb > /var/tmp/scwrl_1364781683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1364781683.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 58 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1394267986.pdb -s /var/tmp/to_scwrl_1394267986.seq -o /var/tmp/from_scwrl_1394267986.pdb > /var/tmp/scwrl_1394267986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394267986.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 109 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1701334261.pdb -s /var/tmp/to_scwrl_1701334261.seq -o /var/tmp/from_scwrl_1701334261.pdb > /var/tmp/scwrl_1701334261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1701334261.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 44 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1174198640.pdb -s /var/tmp/to_scwrl_1174198640.seq -o /var/tmp/from_scwrl_1174198640.pdb > /var/tmp/scwrl_1174198640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174198640.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 101 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1092949989.pdb -s /var/tmp/to_scwrl_1092949989.seq -o /var/tmp/from_scwrl_1092949989.pdb > /var/tmp/scwrl_1092949989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092949989.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_841156562.pdb -s /var/tmp/to_scwrl_841156562.seq -o /var/tmp/from_scwrl_841156562.pdb > /var/tmp/scwrl_841156562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841156562.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 43 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_81613368.pdb -s /var/tmp/to_scwrl_81613368.seq -o /var/tmp/from_scwrl_81613368.pdb > /var/tmp/scwrl_81613368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_81613368.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 94 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_847938833.pdb -s /var/tmp/to_scwrl_847938833.seq -o /var/tmp/from_scwrl_847938833.pdb > /var/tmp/scwrl_847938833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847938833.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1018107241.pdb -s /var/tmp/to_scwrl_1018107241.seq -o /var/tmp/from_scwrl_1018107241.pdb > /var/tmp/scwrl_1018107241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018107241.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 T0351 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1201677355.pdb -s /var/tmp/to_scwrl_1201677355.seq -o /var/tmp/from_scwrl_1201677355.pdb > /var/tmp/scwrl_1201677355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201677355.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 T0351 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2026759783.pdb -s /var/tmp/to_scwrl_2026759783.seq -o /var/tmp/from_scwrl_2026759783.pdb > /var/tmp/scwrl_2026759783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026759783.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 T0351 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1987454276.pdb -s /var/tmp/to_scwrl_1987454276.seq -o /var/tmp/from_scwrl_1987454276.pdb > /var/tmp/scwrl_1987454276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1987454276.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 T0351 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_629131763.pdb -s /var/tmp/to_scwrl_629131763.seq -o /var/tmp/from_scwrl_629131763.pdb > /var/tmp/scwrl_629131763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629131763.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 T0351 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_226052192.pdb -s /var/tmp/to_scwrl_226052192.seq -o /var/tmp/from_scwrl_226052192.pdb > /var/tmp/scwrl_226052192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_226052192.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 T0351 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1734741993.pdb -s /var/tmp/to_scwrl_1734741993.seq -o /var/tmp/from_scwrl_1734741993.pdb > /var/tmp/scwrl_1734741993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734741993.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1645880212.pdb -s /var/tmp/to_scwrl_1645880212.seq -o /var/tmp/from_scwrl_1645880212.pdb > /var/tmp/scwrl_1645880212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645880212.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 T0351 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2038831609.pdb -s /var/tmp/to_scwrl_2038831609.seq -o /var/tmp/from_scwrl_2038831609.pdb > /var/tmp/scwrl_2038831609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2038831609.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 T0351 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_906367819.pdb -s /var/tmp/to_scwrl_906367819.seq -o /var/tmp/from_scwrl_906367819.pdb > /var/tmp/scwrl_906367819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906367819.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 T0351 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_884690632.pdb -s /var/tmp/to_scwrl_884690632.seq -o /var/tmp/from_scwrl_884690632.pdb > /var/tmp/scwrl_884690632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_884690632.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 T0351 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_325643090.pdb -s /var/tmp/to_scwrl_325643090.seq -o /var/tmp/from_scwrl_325643090.pdb > /var/tmp/scwrl_325643090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_325643090.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 111 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_350576545.pdb -s /var/tmp/to_scwrl_350576545.seq -o /var/tmp/from_scwrl_350576545.pdb > /var/tmp/scwrl_350576545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_350576545.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 112 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_914774200.pdb -s /var/tmp/to_scwrl_914774200.seq -o /var/tmp/from_scwrl_914774200.pdb > /var/tmp/scwrl_914774200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_914774200.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 113 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2060111739.pdb -s /var/tmp/to_scwrl_2060111739.seq -o /var/tmp/from_scwrl_2060111739.pdb > /var/tmp/scwrl_2060111739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2060111739.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 104 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2115167135.pdb -s /var/tmp/to_scwrl_2115167135.seq -o /var/tmp/from_scwrl_2115167135.pdb > /var/tmp/scwrl_2115167135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2115167135.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 115 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_161354824.pdb -s /var/tmp/to_scwrl_161354824.seq -o /var/tmp/from_scwrl_161354824.pdb > /var/tmp/scwrl_161354824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161354824.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_242792128.pdb -s /var/tmp/to_scwrl_242792128.seq -o /var/tmp/from_scwrl_242792128.pdb > /var/tmp/scwrl_242792128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242792128.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 T0351 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_136238116.pdb -s /var/tmp/to_scwrl_136238116.seq -o /var/tmp/from_scwrl_136238116.pdb > /var/tmp/scwrl_136238116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_136238116.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 T0351 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_155995008.pdb -s /var/tmp/to_scwrl_155995008.seq -o /var/tmp/from_scwrl_155995008.pdb > /var/tmp/scwrl_155995008.log Error: can't open any of /var/tmp/from_scwrl_155995008.pdb or /var/tmp/from_scwrl_155995008_b.pdb or /var/tmp/from_scwrl_155995008_a.pdb Error: no new SCWRL conformation added # 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 T0351 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1680825610.pdb -s /var/tmp/to_scwrl_1680825610.seq -o /var/tmp/from_scwrl_1680825610.pdb > /var/tmp/scwrl_1680825610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680825610.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 T0351 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_613029215.pdb -s /var/tmp/to_scwrl_613029215.seq -o /var/tmp/from_scwrl_613029215.pdb > /var/tmp/scwrl_613029215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613029215.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 T0351 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_195729084.pdb -s /var/tmp/to_scwrl_195729084.seq -o /var/tmp/from_scwrl_195729084.pdb > /var/tmp/scwrl_195729084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195729084.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 T0351 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_898123647.pdb -s /var/tmp/to_scwrl_898123647.seq -o /var/tmp/from_scwrl_898123647.pdb > /var/tmp/scwrl_898123647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898123647.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2007297201.pdb -s /var/tmp/to_scwrl_2007297201.seq -o /var/tmp/from_scwrl_2007297201.pdb > /var/tmp/scwrl_2007297201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007297201.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 107 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1897063345.pdb -s /var/tmp/to_scwrl_1897063345.seq -o /var/tmp/from_scwrl_1897063345.pdb > /var/tmp/scwrl_1897063345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897063345.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 104 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2072322288.pdb -s /var/tmp/to_scwrl_2072322288.seq -o /var/tmp/from_scwrl_2072322288.pdb > /var/tmp/scwrl_2072322288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072322288.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 68 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_952763544.pdb -s /var/tmp/to_scwrl_952763544.seq -o /var/tmp/from_scwrl_952763544.pdb > /var/tmp/scwrl_952763544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_952763544.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 86 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_590736260.pdb -s /var/tmp/to_scwrl_590736260.seq -o /var/tmp/from_scwrl_590736260.pdb > /var/tmp/scwrl_590736260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_590736260.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_6452009.pdb -s /var/tmp/to_scwrl_6452009.seq -o /var/tmp/from_scwrl_6452009.pdb > /var/tmp/scwrl_6452009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6452009.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1800702376.pdb -s /var/tmp/to_scwrl_1800702376.seq -o /var/tmp/from_scwrl_1800702376.pdb > /var/tmp/scwrl_1800702376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800702376.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 111 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1608843500.pdb -s /var/tmp/to_scwrl_1608843500.seq -o /var/tmp/from_scwrl_1608843500.pdb > /var/tmp/scwrl_1608843500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608843500.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 114 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1208129365.pdb -s /var/tmp/to_scwrl_1208129365.seq -o /var/tmp/from_scwrl_1208129365.pdb > /var/tmp/scwrl_1208129365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1208129365.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 116 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1679978512.pdb -s /var/tmp/to_scwrl_1679978512.seq -o /var/tmp/from_scwrl_1679978512.pdb > /var/tmp/scwrl_1679978512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1679978512.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 T0351 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1448814129.pdb -s /var/tmp/to_scwrl_1448814129.seq -o /var/tmp/from_scwrl_1448814129.pdb > /var/tmp/scwrl_1448814129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1448814129.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 T0351 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1837261128.pdb -s /var/tmp/to_scwrl_1837261128.seq -o /var/tmp/from_scwrl_1837261128.pdb > /var/tmp/scwrl_1837261128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1837261128.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 T0351 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1906030704.pdb -s /var/tmp/to_scwrl_1906030704.seq -o /var/tmp/from_scwrl_1906030704.pdb > /var/tmp/scwrl_1906030704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906030704.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 T0351 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1036072477.pdb -s /var/tmp/to_scwrl_1036072477.seq -o /var/tmp/from_scwrl_1036072477.pdb > /var/tmp/scwrl_1036072477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1036072477.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 T0351 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1335657693.pdb -s /var/tmp/to_scwrl_1335657693.seq -o /var/tmp/from_scwrl_1335657693.pdb > /var/tmp/scwrl_1335657693.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1335657693.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1797378667.pdb -s /var/tmp/to_scwrl_1797378667.seq -o /var/tmp/from_scwrl_1797378667.pdb > /var/tmp/scwrl_1797378667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1797378667.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1942440295.pdb -s /var/tmp/to_scwrl_1942440295.seq -o /var/tmp/from_scwrl_1942440295.pdb > /var/tmp/scwrl_1942440295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1942440295.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_72864679.pdb -s /var/tmp/to_scwrl_72864679.seq -o /var/tmp/from_scwrl_72864679.pdb > /var/tmp/scwrl_72864679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_72864679.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2123021757.pdb -s /var/tmp/to_scwrl_2123021757.seq -o /var/tmp/from_scwrl_2123021757.pdb > /var/tmp/scwrl_2123021757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2123021757.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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_145533193.pdb -s /var/tmp/to_scwrl_145533193.seq -o /var/tmp/from_scwrl_145533193.pdb > /var/tmp/scwrl_145533193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_145533193.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 T0351 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_987638879.pdb -s /var/tmp/to_scwrl_987638879.seq -o /var/tmp/from_scwrl_987638879.pdb > /var/tmp/scwrl_987638879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_987638879.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 T0351 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2035649849.pdb -s /var/tmp/to_scwrl_2035649849.seq -o /var/tmp/from_scwrl_2035649849.pdb > /var/tmp/scwrl_2035649849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035649849.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 T0351 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_113216681.pdb -s /var/tmp/to_scwrl_113216681.seq -o /var/tmp/from_scwrl_113216681.pdb > /var/tmp/scwrl_113216681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113216681.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 T0351 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1148993702.pdb -s /var/tmp/to_scwrl_1148993702.seq -o /var/tmp/from_scwrl_1148993702.pdb > /var/tmp/scwrl_1148993702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148993702.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 T0351 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_130958330.pdb -s /var/tmp/to_scwrl_130958330.seq -o /var/tmp/from_scwrl_130958330.pdb > /var/tmp/scwrl_130958330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_130958330.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 T0351 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_249454798.pdb -s /var/tmp/to_scwrl_249454798.seq -o /var/tmp/from_scwrl_249454798.pdb > /var/tmp/scwrl_249454798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249454798.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 T0351 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1304988711.pdb -s /var/tmp/to_scwrl_1304988711.seq -o /var/tmp/from_scwrl_1304988711.pdb > /var/tmp/scwrl_1304988711.log Error: can't open any of /var/tmp/from_scwrl_1304988711.pdb or /var/tmp/from_scwrl_1304988711_b.pdb or /var/tmp/from_scwrl_1304988711_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1811783940.pdb -s /var/tmp/to_scwrl_1811783940.seq -o /var/tmp/from_scwrl_1811783940.pdb > /var/tmp/scwrl_1811783940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1811783940.pdb # conformation set from SCWRL output # naming current conformation panther3_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_862484013.pdb -s /var/tmp/to_scwrl_862484013.seq -o /var/tmp/from_scwrl_862484013.pdb > /var/tmp/scwrl_862484013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862484013.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 30.767 sec, elapsed time= 587.664 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 645.261 real_cost = 177.333 shub_TS1 costs 617.082 real_cost = 176.991 panther3_TS1-scwrl costs 1025.973 real_cost = 816.466 panther3_TS1 costs 1039.122 real_cost = 812.866 panther2_TS1-scwrl costs 1100.219 real_cost = 423.616 nFOLD_TS5-scwrl costs 669.563 real_cost = 225.193 nFOLD_TS5 costs 10698.252 real_cost = 267.320 nFOLD_TS4-scwrl costs 659.627 real_cost = 295.833 nFOLD_TS4 costs 6769.822 real_cost = 337.636 nFOLD_TS3-scwrl costs 500.861 real_cost = 216.022 nFOLD_TS3 costs 18029.209 real_cost = 273.132 nFOLD_TS2-scwrl costs 562.348 real_cost = 169.233 nFOLD_TS2 costs 27632.386 real_cost = 229.620 nFOLD_TS1-scwrl costs 688.080 real_cost = 355.969 nFOLD_TS1 costs 20846.116 real_cost = 409.533 mGen-3D_TS1-scwrl costs 851.363 real_cost = 207.244 mGen-3D_TS1 costs 5773.446 real_cost = 254.470 keasar-server_TS5-scwrl costs 513.724 real_cost = 125.440 keasar-server_TS5 costs 505.118 real_cost = 143.180 keasar-server_TS4-scwrl costs 522.677 real_cost = 177.043 keasar-server_TS4 costs 522.415 real_cost = 182.598 keasar-server_TS3-scwrl costs 550.039 real_cost = 203.610 keasar-server_TS3 costs 544.805 real_cost = 214.212 keasar-server_TS2-scwrl costs 514.193 real_cost = 192.955 keasar-server_TS2 costs 512.971 real_cost = 202.283 keasar-server_TS1-scwrl costs 529.366 real_cost = 175.209 keasar-server_TS1 costs 532.438 real_cost = 188.017 karypis.srv_TS5-scwrl costs 835.801 real_cost = 217.309 karypis.srv_TS5 costs 823.920 real_cost = 222.695 karypis.srv_TS4-scwrl costs 545.300 real_cost = 180.830 karypis.srv_TS4 costs 533.798 real_cost = 177.723 karypis.srv_TS3-scwrl costs 684.884 real_cost = 140.782 karypis.srv_TS3 costs 683.375 real_cost = 149.450 karypis.srv_TS2-scwrl costs 837.653 real_cost = 170.598 karypis.srv_TS2 costs 828.508 real_cost = 165.342 karypis.srv_TS1-scwrl costs 714.454 real_cost = 277.331 karypis.srv_TS1 costs 700.258 real_cost = 273.040 karypis.srv.4_TS5-scwrl costs 529.278 real_cost = 285.087 karypis.srv.4_TS5 costs 527.983 real_cost = 285.087 karypis.srv.4_TS4-scwrl costs 517.578 real_cost = 217.535 karypis.srv.4_TS4 costs 517.422 real_cost = 217.535 karypis.srv.4_TS3-scwrl costs 523.685 real_cost = 317.874 karypis.srv.4_TS3 costs 523.685 real_cost = 317.874 karypis.srv.4_TS2-scwrl costs 546.054 real_cost = 209.972 karypis.srv.4_TS2 costs 545.084 real_cost = 214.478 karypis.srv.4_TS1-scwrl costs 498.271 real_cost = 250.761 karypis.srv.4_TS1 costs 497.298 real_cost = 250.761 karypis.srv.2_TS5-scwrl costs 498.788 real_cost = 194.586 karypis.srv.2_TS5 costs 513.566 real_cost = 197.921 karypis.srv.2_TS4-scwrl costs 644.756 real_cost = 297.371 karypis.srv.2_TS4 costs 667.423 real_cost = 297.480 karypis.srv.2_TS3-scwrl costs 504.129 real_cost = 195.519 karypis.srv.2_TS3 costs 504.129 real_cost = 195.519 karypis.srv.2_TS2-scwrl costs 568.505 real_cost = 216.312 karypis.srv.2_TS2 costs 610.112 real_cost = 207.978 karypis.srv.2_TS1-scwrl costs 468.435 real_cost = 196.806 karypis.srv.2_TS1 costs 468.435 real_cost = 196.806 forecast-s_AL5-scwrl costs 633.686 real_cost = 205.757 forecast-s_AL5 costs 13673.657 real_cost = 244.192 forecast-s_AL4-scwrl costs 585.724 real_cost = 313.277 forecast-s_AL4 costs 47613.843 real_cost = 393.338 forecast-s_AL3-scwrl costs 664.422 real_cost = 309.306 forecast-s_AL3 costs 20971.382 real_cost = 385.616 forecast-s_AL2-scwrl costs 540.697 real_cost = 319.333 forecast-s_AL2 costs 33996.309 real_cost = 403.469 forecast-s_AL1-scwrl costs 13165.486 real_cost = 365.598 beautshotbase_TS1-scwrl costs 727.328 real_cost = 132.901 beautshotbase_TS1 costs 708.043 real_cost = 144.654 beautshot_TS1-scwrl costs 605.693 real_cost = 276.675 beautshot_TS1 costs 553.347 real_cost = 284.936 Zhang-Server_TS5-scwrl costs 536.427 real_cost = 99.261 Zhang-Server_TS5 costs 552.580 real_cost = 117.410 Zhang-Server_TS4-scwrl costs 534.136 real_cost = 165.505 Zhang-Server_TS4 costs 522.770 real_cost = 168.116 Zhang-Server_TS3-scwrl costs 544.737 real_cost = 188.293 Zhang-Server_TS3 costs 556.221 real_cost = 170.053 Zhang-Server_TS2-scwrl costs 516.010 real_cost = 163.228 Zhang-Server_TS2 costs 526.118 real_cost = 154.403 Zhang-Server_TS1-scwrl costs 540.333 real_cost = 153.932 Zhang-Server_TS1 costs 539.875 real_cost = 159.249 UNI-EID_sfst_AL5-scwrl costs 933.808 real_cost = 222.534 UNI-EID_sfst_AL5 costs 83812.903 real_cost = 251.263 UNI-EID_sfst_AL4-scwrl costs 975.059 real_cost = 400.765 UNI-EID_sfst_AL4 costs 108801.373 real_cost = 404.364 UNI-EID_sfst_AL3-scwrl costs 891.470 real_cost = 240.769 UNI-EID_sfst_AL3 costs 5986.460 real_cost = 270.130 UNI-EID_sfst_AL2-scwrl costs 978.705 real_cost = 811.666 UNI-EID_sfst_AL2 costs 6184.804 real_cost = 840.666 UNI-EID_sfst_AL1-scwrl costs 890.451 real_cost = 133.360 UNI-EID_sfst_AL1 costs 17072.774 real_cost = 117.166 UNI-EID_expm_TS1-scwrl costs 895.773 real_cost = 134.138 UNI-EID_expm_TS1 costs 7420.419 real_cost = 116.187 UNI-EID_bnmx_TS5-scwrl costs 805.328 real_cost = 181.284 UNI-EID_bnmx_TS5 costs 144718.934 real_cost = 227.998 UNI-EID_bnmx_TS4-scwrl costs 893.641 real_cost = 139.493 UNI-EID_bnmx_TS4 costs 124864.609 real_cost = 139.802 UNI-EID_bnmx_TS3-scwrl costs 682.842 real_cost = 211.143 UNI-EID_bnmx_TS3 costs 9237.904 real_cost = 263.984 UNI-EID_bnmx_TS2-scwrl costs 956.445 real_cost = 805.866 UNI-EID_bnmx_TS2 costs 6440.754 real_cost = 837.466 UNI-EID_bnmx_TS1-scwrl costs 828.916 real_cost = 153.395 UNI-EID_bnmx_TS1 costs 21100.694 real_cost = 174.518 SPARKS2_TS5-scwrl costs 429.959 real_cost = 218.808 SPARKS2_TS5 costs 427.479 real_cost = 231.423 SPARKS2_TS4-scwrl costs 446.712 real_cost = 230.765 SPARKS2_TS4 costs 458.337 real_cost = 235.446 SPARKS2_TS3-scwrl costs 422.315 real_cost = 136.629 SPARKS2_TS3 costs 426.312 real_cost = 144.982 SPARKS2_TS2-scwrl costs 420.849 real_cost = 170.356 SPARKS2_TS2 costs 427.876 real_cost = 177.788 SPARKS2_TS1-scwrl costs 442.794 real_cost = 157.951 SPARKS2_TS1 costs 457.056 real_cost = 183.538 SP4_TS5-scwrl costs 439.819 real_cost = 224.906 SP4_TS5 costs 447.649 real_cost = 215.183 SP4_TS4-scwrl costs 478.610 real_cost = 205.363 SP4_TS4 costs 466.719 real_cost = 203.440 SP4_TS3-scwrl costs 473.974 real_cost = 203.740 SP4_TS3 costs 483.969 real_cost = 223.114 SP4_TS2-scwrl costs 437.640 real_cost = 163.060 SP4_TS2 costs 431.721 real_cost = 147.763 SP4_TS1-scwrl costs 435.485 real_cost = 190.179 SP4_TS1 costs 443.793 real_cost = 192.327 SP3_TS5-scwrl costs 451.958 real_cost = 157.798 SP3_TS5 costs 456.196 real_cost = 156.678 SP3_TS4-scwrl costs 419.691 real_cost = 142.225 SP3_TS4 costs 427.054 real_cost = 160.473 SP3_TS3-scwrl costs 439.446 real_cost = 213.027 SP3_TS3 costs 442.323 real_cost = 210.914 SP3_TS2-scwrl costs 473.974 real_cost = 203.740 SP3_TS2 costs 483.969 real_cost = 223.114 SP3_TS1-scwrl costs 448.114 real_cost = 175.863 SP3_TS1 costs 453.195 real_cost = 196.250 SAM_T06_server_TS5-scwrl costs 738.419 real_cost = 261.189 SAM_T06_server_TS5 costs 686.858 real_cost = 245.502 SAM_T06_server_TS4-scwrl costs 915.684 real_cost = 206.054 SAM_T06_server_TS4 costs 885.310 real_cost = 197.002 SAM_T06_server_TS3-scwrl costs 841.089 real_cost = 204.409 SAM_T06_server_TS3 costs 760.084 real_cost = 188.536 SAM_T06_server_TS2-scwrl costs 817.850 real_cost = 290.127 SAM_T06_server_TS2 costs 757.520 real_cost = 282.464 SAM_T06_server_TS1-scwrl costs 352.892 real_cost = 151.874 SAM_T06_server_TS1 costs 348.226 real_cost = 152.299 SAM-T02_AL5-scwrl costs 1056.420 real_cost = 360.446 SAM-T02_AL5 costs 4826.138 real_cost = 333.606 SAM-T02_AL4-scwrl costs 784.814 real_cost = 278.390 SAM-T02_AL4 costs 12378.420 real_cost = 324.745 SAM-T02_AL3-scwrl costs 922.375 real_cost = 344.650 SAM-T02_AL3 costs 14161.454 real_cost = 368.497 SAM-T02_AL2-scwrl costs 988.947 real_cost = 287.143 SAM-T02_AL2 costs 8488.531 real_cost = 281.535 SAM-T02_AL1-scwrl costs 683.954 real_cost = 229.402 SAM-T02_AL1 costs 29191.352 real_cost = 291.395 ROKKY_TS5-scwrl costs 381.803 real_cost = 124.090 ROKKY_TS5 costs 12207.966 real_cost = 220.033 ROKKY_TS4-scwrl costs 396.960 real_cost = 71.108 ROKKY_TS4 costs 23950.142 real_cost = 167.066 ROKKY_TS3-scwrl costs 399.244 real_cost = 134.165 ROKKY_TS3 costs 13002.048 real_cost = 234.043 ROKKY_TS2-scwrl costs 379.272 real_cost = 165.024 ROKKY_TS2 costs 21516.611 real_cost = 271.706 ROKKY_TS1-scwrl costs 386.318 real_cost = 100.841 ROKKY_TS1 costs 16314.011 real_cost = 195.441 ROBETTA_TS5-scwrl costs 379.144 real_cost = 105.074 ROBETTA_TS5 costs 375.738 real_cost = 106.150 ROBETTA_TS4-scwrl costs 418.695 real_cost = 154.924 ROBETTA_TS4 costs 386.128 real_cost = 154.112 ROBETTA_TS3-scwrl costs 406.115 real_cost = 140.471 ROBETTA_TS3 costs 404.906 real_cost = 150.194 ROBETTA_TS2-scwrl costs 394.648 real_cost = 158.135 ROBETTA_TS2 costs 377.687 real_cost = 158.987 ROBETTA_TS1-scwrl costs 392.456 real_cost = 121.422 ROBETTA_TS1 costs 388.591 real_cost = 129.834 RAPTOR_TS5-scwrl costs 450.652 real_cost = 168.287 RAPTOR_TS5 costs 464.734 real_cost = 167.473 RAPTOR_TS4-scwrl costs 449.665 real_cost = 195.939 RAPTOR_TS4 costs 462.987 real_cost = 198.190 RAPTOR_TS3-scwrl costs 420.907 real_cost = 124.468 RAPTOR_TS3 costs 424.104 real_cost = 141.236 RAPTOR_TS2-scwrl costs 378.295 real_cost = 203.552 RAPTOR_TS2 costs 386.479 real_cost = 205.077 RAPTOR_TS1-scwrl costs 427.762 real_cost = 155.088 RAPTOR_TS1 costs 424.870 real_cost = 157.983 RAPTORESS_TS5-scwrl costs 453.035 real_cost = 128.747 RAPTORESS_TS5 costs 465.888 real_cost = 141.958 RAPTORESS_TS4-scwrl costs 461.811 real_cost = 218.604 RAPTORESS_TS4 costs 460.916 real_cost = 238.978 RAPTORESS_TS3-scwrl costs 406.304 real_cost = 143.661 RAPTORESS_TS3 costs 409.950 real_cost = 153.602 RAPTORESS_TS2-scwrl costs 378.295 real_cost = 203.552 RAPTORESS_TS2 costs 386.479 real_cost = 205.077 RAPTORESS_TS1-scwrl costs 427.762 real_cost = 155.088 RAPTORESS_TS1 costs 424.870 real_cost = 157.983 RAPTOR-ACE_TS5-scwrl costs 455.359 real_cost = 146.202 RAPTOR-ACE_TS5 costs 434.713 real_cost = 144.326 RAPTOR-ACE_TS4-scwrl costs 443.710 real_cost = 178.983 RAPTOR-ACE_TS4 costs 452.356 real_cost = 185.429 RAPTOR-ACE_TS3-scwrl costs 419.691 real_cost = 142.225 RAPTOR-ACE_TS3 costs 427.054 real_cost = 160.473 RAPTOR-ACE_TS2-scwrl costs 473.974 real_cost = 203.740 RAPTOR-ACE_TS2 costs 483.969 real_cost = 223.114 RAPTOR-ACE_TS1-scwrl costs 417.483 real_cost = 189.644 RAPTOR-ACE_TS1 costs 424.293 real_cost = 196.313 Pmodeller6_TS5-scwrl costs 379.144 real_cost = 105.074 Pmodeller6_TS5 costs 375.738 real_cost = 106.150 Pmodeller6_TS4-scwrl costs 679.263 real_cost = 126.095 Pmodeller6_TS4 costs 664.032 real_cost = 125.261 Pmodeller6_TS3-scwrl costs 387.061 real_cost = 88.378 Pmodeller6_TS3 costs 381.225 real_cost = 105.059 Pmodeller6_TS2-scwrl costs 392.456 real_cost = 121.422 Pmodeller6_TS2 costs 388.591 real_cost = 129.834 Pmodeller6_TS1-scwrl costs 390.029 real_cost = 125.140 Pmodeller6_TS1 costs 383.790 real_cost = 126.059 Phyre-2_TS5-scwrl costs 475.407 real_cost = 212.607 Phyre-2_TS5 costs 507.884 real_cost = 206.712 Phyre-2_TS4-scwrl costs 471.978 real_cost = 183.592 Phyre-2_TS4 costs 486.729 real_cost = 180.549 Phyre-2_TS3-scwrl costs 449.570 real_cost = 168.311 Phyre-2_TS3 costs 465.863 real_cost = 173.526 Phyre-2_TS2-scwrl costs 461.073 real_cost = 226.579 Phyre-2_TS2 costs 471.498 real_cost = 227.904 Phyre-2_TS1-scwrl costs 466.015 real_cost = 210.695 Phyre-2_TS1 costs 485.496 real_cost = 210.427 Phyre-1_TS1-scwrl costs 871.061 real_cost = 247.316 Phyre-1_TS1 costs 863.327 real_cost = 245.906 Pcons6_TS5-scwrl costs 693.557 real_cost = 167.595 Pcons6_TS5 costs 673.824 real_cost = 165.003 Pcons6_TS4-scwrl costs 709.095 real_cost = 172.849 Pcons6_TS4 costs 692.544 real_cost = 171.065 Pcons6_TS3-scwrl costs 406.115 real_cost = 140.471 Pcons6_TS3 costs 404.906 real_cost = 150.194 Pcons6_TS2-scwrl costs 693.394 real_cost = 190.956 Pcons6_TS2 costs 670.329 real_cost = 186.744 Pcons6_TS1-scwrl costs 387.061 real_cost = 88.378 Pcons6_TS1 costs 381.225 real_cost = 105.059 PROTINFO_TS5-scwrl costs 419.391 real_cost = 187.650 PROTINFO_TS5 costs 433.487 real_cost = 185.655 PROTINFO_TS4-scwrl costs 641.836 real_cost = 219.379 PROTINFO_TS4 costs 633.949 real_cost = 216.670 PROTINFO_TS3-scwrl costs 607.136 real_cost = 208.424 PROTINFO_TS3 costs 606.530 real_cost = 211.247 PROTINFO_TS2-scwrl costs 583.443 real_cost = 226.080 PROTINFO_TS2 costs 578.927 real_cost = 228.013 PROTINFO_TS1-scwrl costs 606.960 real_cost = 180.537 PROTINFO_TS1 costs 599.737 real_cost = 176.775 PROTINFO-AB_TS5-scwrl costs 411.091 real_cost = 163.306 PROTINFO-AB_TS5 costs 429.754 real_cost = 167.836 PROTINFO-AB_TS4-scwrl costs 411.091 real_cost = 163.306 PROTINFO-AB_TS4 costs 429.754 real_cost = 167.836 PROTINFO-AB_TS3-scwrl costs 411.860 real_cost = 172.411 PROTINFO-AB_TS3 costs 431.536 real_cost = 176.208 PROTINFO-AB_TS2-scwrl costs 419.563 real_cost = 177.577 PROTINFO-AB_TS2 costs 435.399 real_cost = 186.445 PROTINFO-AB_TS1-scwrl costs 419.391 real_cost = 187.650 PROTINFO-AB_TS1 costs 433.487 real_cost = 185.655 POMYSL_TS5-scwrl costs 492.925 real_cost = 272.373 POMYSL_TS5 costs 505.558 real_cost = 272.164 POMYSL_TS4-scwrl costs 679.612 real_cost = 273.961 POMYSL_TS4 costs 674.644 real_cost = 276.267 POMYSL_TS3-scwrl costs 483.345 real_cost = 295.419 POMYSL_TS3 costs 495.315 real_cost = 294.620 POMYSL_TS2-scwrl costs 506.008 real_cost = 264.506 POMYSL_TS2 costs 512.402 real_cost = 260.220 POMYSL_TS1-scwrl costs 507.877 real_cost = 254.217 POMYSL_TS1 costs 507.875 real_cost = 254.153 NN_PUT_lab_TS1-scwrl costs 478.427 real_cost = 188.627 NN_PUT_lab_TS1 costs 21268.849 real_cost = 283.668 MetaTasser_TS5-scwrl costs 528.924 real_cost = 165.133 MetaTasser_TS5 costs 560.381 real_cost = 149.071 MetaTasser_TS4-scwrl costs 496.298 real_cost = 150.682 MetaTasser_TS4 costs 526.166 real_cost = 148.810 MetaTasser_TS3-scwrl costs 517.561 real_cost = 171.603 MetaTasser_TS3 costs 552.798 real_cost = 175.987 MetaTasser_TS2-scwrl costs 539.645 real_cost = 182.365 MetaTasser_TS2 costs 596.951 real_cost = 189.356 MetaTasser_TS1-scwrl costs 540.026 real_cost = 192.445 MetaTasser_TS1 costs 573.026 real_cost = 203.697 Ma-OPUS-server_TS5-scwrl costs 424.348 real_cost = 123.499 Ma-OPUS-server_TS5 costs 433.478 real_cost = 122.871 Ma-OPUS-server_TS4-scwrl costs 525.558 real_cost = 170.827 Ma-OPUS-server_TS4 costs 525.922 real_cost = 170.827 Ma-OPUS-server_TS3-scwrl costs 556.354 real_cost = 111.500 Ma-OPUS-server_TS3 costs 554.489 real_cost = 111.500 Ma-OPUS-server_TS2-scwrl costs 530.092 real_cost = 116.397 Ma-OPUS-server_TS2 costs 529.064 real_cost = 116.397 Ma-OPUS-server_TS1-scwrl costs 498.736 real_cost = 167.314 Ma-OPUS-server_TS1 costs 498.658 real_cost = 167.314 Ma-OPUS-server2_TS5-scwrl costs 432.324 real_cost = 106.120 Ma-OPUS-server2_TS5 costs 443.138 real_cost = 120.288 Ma-OPUS-server2_TS4-scwrl costs 525.558 real_cost = 170.827 Ma-OPUS-server2_TS4 costs 525.922 real_cost = 170.827 Ma-OPUS-server2_TS3-scwrl costs 498.736 real_cost = 167.314 Ma-OPUS-server2_TS3 costs 498.658 real_cost = 167.314 Ma-OPUS-server2_TS2-scwrl costs 556.354 real_cost = 111.500 Ma-OPUS-server2_TS2 costs 554.489 real_cost = 111.500 Ma-OPUS-server2_TS1-scwrl costs 530.092 real_cost = 116.397 Ma-OPUS-server2_TS1 costs 529.064 real_cost = 116.397 MIG_FROST_AL1-scwrl costs 785.266 real_cost = 161.354 MIG_FROST_AL1 costs 785.392 real_cost = 161.354 LOOPP_TS5 costs 770.831 real_cost = 153.239 LOOPP_TS4-scwrl costs 635.817 real_cost = 241.537 LOOPP_TS4 costs 624.209 real_cost = 253.834 LOOPP_TS3-scwrl costs 714.524 real_cost = 193.454 LOOPP_TS3 costs 706.845 real_cost = 187.438 LOOPP_TS2-scwrl costs 686.761 real_cost = 143.156 LOOPP_TS2 costs 678.260 real_cost = 161.916 LOOPP_TS1-scwrl costs 495.563 real_cost = 208.318 LOOPP_TS1 costs 486.099 real_cost = 214.493 Huber-Torda-Server_TS5-scwrl costs 1188.958 real_cost = 865.466 Huber-Torda-Server_TS5 costs 2330.512 real_cost = 868.466 Huber-Torda-Server_TS4-scwrl costs 1186.777 real_cost = 865.466 Huber-Torda-Server_TS4 costs 1777.586 real_cost = 868.466 Huber-Torda-Server_TS3-scwrl costs 1185.946 real_cost = 865.466 Huber-Torda-Server_TS3 costs 1429.982 real_cost = 868.466 Huber-Torda-Server_TS2-scwrl costs 1186.195 real_cost = 865.466 Huber-Torda-Server_TS2 costs 1734.825 real_cost = 868.466 Huber-Torda-Server_TS1-scwrl costs 1203.436 real_cost = 865.466 Huber-Torda-Server_TS1 costs 6298.096 real_cost = 868.466 HHpred3_TS1-scwrl costs 534.093 real_cost = 239.116 HHpred3_TS1 costs 547.765 real_cost = 281.281 HHpred2_TS1-scwrl costs 505.542 real_cost = 212.197 HHpred2_TS1 costs 514.247 real_cost = 222.866 HHpred1_TS1-scwrl costs 517.702 real_cost = 263.363 HHpred1_TS1 costs 530.668 real_cost = 363.171 GeneSilicoMetaServer_TS5-scwrl costs 697.893 real_cost = 369.750 GeneSilicoMetaServer_TS5 costs 690.068 real_cost = 365.214 GeneSilicoMetaServer_TS4-scwrl costs 548.585 real_cost = 170.006 GeneSilicoMetaServer_TS4 costs 552.897 real_cost = 185.095 GeneSilicoMetaServer_TS3-scwrl costs 868.284 real_cost = 790.266 GeneSilicoMetaServer_TS3 costs 868.007 real_cost = 788.466 GeneSilicoMetaServer_TS2-scwrl costs 608.906 real_cost = 220.435 GeneSilicoMetaServer_TS2 costs 608.640 real_cost = 243.727 GeneSilicoMetaServer_TS1-scwrl costs 517.058 real_cost = 186.061 GeneSilicoMetaServer_TS1 costs 520.451 real_cost = 194.716 Frankenstein_TS3-scwrl costs 477.974 real_cost = 300.483 Frankenstein_TS3 costs 490.954 real_cost = 300.305 Frankenstein_TS2-scwrl costs 443.007 real_cost = 292.503 Frankenstein_TS2 costs 449.204 real_cost = 292.545 Frankenstein_TS1-scwrl costs 477.765 real_cost = 141.116 Frankenstein_TS1 costs 482.158 real_cost = 157.902 FUNCTION_TS5-scwrl costs 457.737 real_cost = 132.175 FUNCTION_TS5 costs 454.855 real_cost = 137.761 FUNCTION_TS4-scwrl costs 559.303 real_cost = 165.765 FUNCTION_TS4 costs 531.761 real_cost = 167.090 FUNCTION_TS3-scwrl costs 478.747 real_cost = 263.766 FUNCTION_TS3 costs 480.672 real_cost = 267.833 FUNCTION_TS2-scwrl costs 459.307 real_cost = 161.221 FUNCTION_TS2 costs 456.353 real_cost = 158.990 FUNCTION_TS1-scwrl costs 596.069 real_cost = 219.715 FUNCTION_TS1 costs 579.506 real_cost = 218.800 FUGUE_AL5-scwrl costs 506.183 real_cost = 238.059 FUGUE_AL5 costs 38963.735 real_cost = 322.906 FUGUE_AL4-scwrl costs 707.610 real_cost = 379.040 FUGUE_AL4 costs 10364.705 real_cost = 447.013 FUGUE_AL3-scwrl costs 515.340 real_cost = 327.437 FUGUE_AL3 costs 46153.465 real_cost = 417.969 FUGUE_AL2-scwrl costs 639.709 real_cost = 218.904 FUGUE_AL2 costs 26767.120 real_cost = 286.112 FUGUE_AL1-scwrl costs 478.427 real_cost = 188.627 FUGUE_AL1 costs 21268.849 real_cost = 283.668 FUGMOD_TS5-scwrl costs 473.567 real_cost = 203.600 FUGMOD_TS5 costs 476.520 real_cost = 210.451 FUGMOD_TS4-scwrl costs 590.665 real_cost = 349.528 FUGMOD_TS4 costs 586.116 real_cost = 349.459 FUGMOD_TS3-scwrl costs 445.720 real_cost = 295.237 FUGMOD_TS3 costs 453.075 real_cost = 295.451 FUGMOD_TS2-scwrl costs 530.694 real_cost = 186.344 FUGMOD_TS2 costs 530.186 real_cost = 195.317 FUGMOD_TS1-scwrl costs 432.912 real_cost = 201.944 FUGMOD_TS1 costs 438.655 real_cost = 199.490 FPSOLVER-SERVER_TS5-scwrl costs 454.219 real_cost = 171.835 FPSOLVER-SERVER_TS5 costs 456.209 real_cost = 168.421 FPSOLVER-SERVER_TS4-scwrl costs 453.874 real_cost = 271.028 FPSOLVER-SERVER_TS4 costs 454.390 real_cost = 277.716 FPSOLVER-SERVER_TS3-scwrl costs 471.641 real_cost = 226.282 FPSOLVER-SERVER_TS3 costs 471.603 real_cost = 237.938 FPSOLVER-SERVER_TS2-scwrl costs 453.942 real_cost = 258.476 FPSOLVER-SERVER_TS2 costs 453.435 real_cost = 262.768 FPSOLVER-SERVER_TS1-scwrl costs 482.462 real_cost = 285.027 FPSOLVER-SERVER_TS1 costs 482.412 real_cost = 277.676 FORTE2_AL5-scwrl costs 865.213 real_cost = 327.985 FORTE2_AL5 costs 13918.178 real_cost = 379.348 FORTE2_AL4-scwrl costs 1226.543 real_cost = 427.567 FORTE2_AL4 costs 29425.179 real_cost = 427.567 FORTE2_AL3-scwrl costs 577.510 real_cost = 291.783 FORTE2_AL3 costs 12871.305 real_cost = 360.648 FORTE2_AL2-scwrl costs 813.084 real_cost = 348.208 FORTE2_AL2 costs 316279.936 real_cost = 439.066 FORTE2_AL1-scwrl costs 703.140 real_cost = 269.672 FORTE2_AL1 costs 58876.250 real_cost = 367.025 FORTE1_AL5-scwrl costs 865.213 real_cost = 327.985 FORTE1_AL5 costs 13918.178 real_cost = 379.348 FORTE1_AL4-scwrl costs 1226.543 real_cost = 427.567 FORTE1_AL4 costs 29425.179 real_cost = 427.567 FORTE1_AL3-scwrl costs 577.510 real_cost = 291.783 FORTE1_AL3 costs 12871.305 real_cost = 360.648 FORTE1_AL2-scwrl costs 813.084 real_cost = 348.208 FORTE1_AL2 costs 316279.936 real_cost = 439.066 FORTE1_AL1-scwrl costs 703.140 real_cost = 269.672 FORTE1_AL1 costs 58876.250 real_cost = 367.025 FOLDpro_TS5-scwrl costs 441.020 real_cost = 204.296 FOLDpro_TS5 costs 448.573 real_cost = 206.438 FOLDpro_TS4-scwrl costs 422.317 real_cost = 225.873 FOLDpro_TS4 costs 435.234 real_cost = 236.057 FOLDpro_TS3-scwrl costs 408.837 real_cost = 165.697 FOLDpro_TS3 costs 422.273 real_cost = 167.024 FOLDpro_TS2-scwrl costs 451.434 real_cost = 219.881 FOLDpro_TS2 costs 464.522 real_cost = 230.346 FOLDpro_TS1-scwrl costs 445.358 real_cost = 229.778 FOLDpro_TS1 costs 457.484 real_cost = 229.583 FAMS_TS5-scwrl costs 459.090 real_cost = 211.725 FAMS_TS5 costs 488.795 real_cost = 227.789 FAMS_TS4-scwrl costs 532.711 real_cost = 179.812 FAMS_TS4 costs 545.414 real_cost = 196.266 FAMS_TS3-scwrl costs 516.001 real_cost = 211.062 FAMS_TS3 costs 515.405 real_cost = 228.602 FAMS_TS2-scwrl costs 490.790 real_cost = 180.659 FAMS_TS2 costs 500.928 real_cost = 198.408 FAMS_TS1-scwrl costs 578.274 real_cost = 166.798 FAMS_TS1 costs 566.760 real_cost = 184.712 FAMSD_TS5-scwrl costs 520.309 real_cost = 176.209 FAMSD_TS5 costs 509.225 real_cost = 178.413 FAMSD_TS4-scwrl costs 506.987 real_cost = 184.379 FAMSD_TS4 costs 497.152 real_cost = 189.063 FAMSD_TS3-scwrl costs 455.891 real_cost = 159.373 FAMSD_TS3 costs 457.738 real_cost = 171.350 FAMSD_TS2-scwrl costs 453.779 real_cost = 132.756 FAMSD_TS2 costs 455.032 real_cost = 144.303 FAMSD_TS1-scwrl costs 481.189 real_cost = 184.766 FAMSD_TS1 costs 467.364 real_cost = 186.510 Distill_TS5-scwrl costs 2204.199 real_cost = 321.462 Distill_TS4-scwrl costs 2201.989 real_cost = 320.642 Distill_TS3-scwrl costs 2203.827 real_cost = 332.614 Distill_TS2-scwrl costs 2216.288 real_cost = 356.811 Distill_TS1-scwrl costs 2203.812 real_cost = 358.762 CaspIta-FOX_TS5-scwrl costs 855.823 real_cost = 210.247 CaspIta-FOX_TS5 costs 802.090 real_cost = 197.960 CaspIta-FOX_TS4-scwrl costs 710.990 real_cost = 252.246 CaspIta-FOX_TS4 costs 692.000 real_cost = 246.809 CaspIta-FOX_TS3-scwrl costs 623.744 real_cost = 172.701 CaspIta-FOX_TS3 costs 598.566 real_cost = 169.797 CaspIta-FOX_TS2-scwrl costs 795.624 real_cost = 379.363 CaspIta-FOX_TS2 costs 767.529 real_cost = 379.442 CaspIta-FOX_TS1-scwrl costs 684.025 real_cost = 178.210 CaspIta-FOX_TS1 costs 659.644 real_cost = 180.017 CIRCLE_TS5-scwrl costs 428.687 real_cost = 137.192 CIRCLE_TS5 costs 432.902 real_cost = 150.768 CIRCLE_TS4-scwrl costs 433.163 real_cost = 204.899 CIRCLE_TS4 costs 437.920 real_cost = 227.393 CIRCLE_TS3-scwrl costs 453.779 real_cost = 132.756 CIRCLE_TS3 costs 455.032 real_cost = 144.303 CIRCLE_TS2-scwrl costs 481.189 real_cost = 184.766 CIRCLE_TS2 costs 467.364 real_cost = 186.510 CIRCLE_TS1-scwrl costs 487.500 real_cost = 205.634 CIRCLE_TS1 costs 477.351 real_cost = 194.627 Bilab-ENABLE_TS5-scwrl costs 436.449 real_cost = 285.903 Bilab-ENABLE_TS5 costs 436.449 real_cost = 285.903 Bilab-ENABLE_TS4-scwrl costs 433.348 real_cost = 285.771 Bilab-ENABLE_TS4 costs 433.348 real_cost = 285.771 Bilab-ENABLE_TS3-scwrl costs 435.646 real_cost = 285.836 Bilab-ENABLE_TS3 costs 435.646 real_cost = 285.836 Bilab-ENABLE_TS2-scwrl costs 446.385 real_cost = 285.786 Bilab-ENABLE_TS2 costs 446.385 real_cost = 285.786 Bilab-ENABLE_TS1-scwrl costs 431.759 real_cost = 285.771 Bilab-ENABLE_TS1 costs 431.759 real_cost = 285.771 BayesHH_TS1-scwrl costs 481.638 real_cost = 238.061 BayesHH_TS1 costs 496.372 real_cost = 240.632 ABIpro_TS5-scwrl costs 457.673 real_cost = 168.051 ABIpro_TS5 costs 457.673 real_cost = 168.051 ABIpro_TS4-scwrl costs 442.652 real_cost = 153.387 ABIpro_TS4 costs 444.221 real_cost = 153.387 ABIpro_TS3-scwrl costs 466.228 real_cost = 104.647 ABIpro_TS3 costs 463.988 real_cost = 107.709 ABIpro_TS2-scwrl costs 440.657 real_cost = 109.767 ABIpro_TS2 costs 440.657 real_cost = 109.767 ABIpro_TS1-scwrl costs 471.225 real_cost = 80.586 ABIpro_TS1 costs 468.928 real_cost = 80.462 3Dpro_TS5-scwrl costs 454.364 real_cost = 231.490 3Dpro_TS5 costs 467.060 real_cost = 235.760 3Dpro_TS4-scwrl costs 457.969 real_cost = 216.227 3Dpro_TS4 costs 468.364 real_cost = 223.439 3Dpro_TS3-scwrl costs 457.405 real_cost = 276.546 3Dpro_TS3 costs 464.589 real_cost = 277.474 3Dpro_TS2-scwrl costs 521.804 real_cost = 296.968 3Dpro_TS2 costs 533.085 real_cost = 298.387 3Dpro_TS1-scwrl costs 471.225 real_cost = 80.586 3Dpro_TS1 costs 468.928 real_cost = 80.462 3D-JIGSAW_TS4-scwrl costs 622.850 real_cost = 227.686 3D-JIGSAW_TS4 costs 602.362 real_cost = 228.566 3D-JIGSAW_TS3-scwrl costs 559.530 real_cost = 163.999 3D-JIGSAW_TS3 costs 524.344 real_cost = 159.829 3D-JIGSAW_TS2-scwrl costs 614.579 real_cost = 206.982 3D-JIGSAW_TS2 costs 588.710 real_cost = 196.297 3D-JIGSAW_TS1-scwrl costs 591.883 real_cost = 228.612 3D-JIGSAW_TS1 costs 555.453 real_cost = 224.284 3D-JIGSAW_RECOM_TS5-scwrl costs 619.769 real_cost = 229.395 3D-JIGSAW_RECOM_TS5 costs 592.107 real_cost = 222.694 3D-JIGSAW_RECOM_TS4-scwrl costs 613.863 real_cost = 200.386 3D-JIGSAW_RECOM_TS4 costs 585.689 real_cost = 184.487 3D-JIGSAW_RECOM_TS3-scwrl costs 559.359 real_cost = 199.340 3D-JIGSAW_RECOM_TS3 costs 540.628 real_cost = 195.358 3D-JIGSAW_RECOM_TS2-scwrl costs 586.262 real_cost = 156.695 3D-JIGSAW_RECOM_TS2 costs 552.011 real_cost = 156.071 3D-JIGSAW_RECOM_TS1-scwrl costs 567.369 real_cost = 196.643 3D-JIGSAW_RECOM_TS1 costs 540.027 real_cost = 192.135 3D-JIGSAW_POPULUS_TS5-scwrl costs 529.355 real_cost = 208.576 3D-JIGSAW_POPULUS_TS5 costs 513.376 real_cost = 206.576 3D-JIGSAW_POPULUS_TS4-scwrl costs 514.441 real_cost = 200.544 3D-JIGSAW_POPULUS_TS4 costs 498.666 real_cost = 198.544 3D-JIGSAW_POPULUS_TS3-scwrl costs 506.484 real_cost = 165.766 3D-JIGSAW_POPULUS_TS3 costs 489.979 real_cost = 163.766 3D-JIGSAW_POPULUS_TS2-scwrl costs 448.111 real_cost = 191.171 3D-JIGSAW_POPULUS_TS2 costs 448.111 real_cost = 191.171 3D-JIGSAW_POPULUS_TS1-scwrl costs 510.820 real_cost = 157.617 3D-JIGSAW_POPULUS_TS1 costs 495.409 real_cost = 155.617 T0351.try9-opt2.repack-nonPC.pdb.gz costs 355.239 real_cost = 159.629 T0351.try9-opt2.pdb.gz costs 351.203 real_cost = 159.890 T0351.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 367.332 real_cost = 156.115 T0351.try9-opt2.gromacs0.pdb.gz costs 365.495 real_cost = 156.520 T0351.try9-opt1.pdb.gz costs 358.058 real_cost = 158.558 T0351.try9-opt1-scwrl.pdb.gz costs 359.624 real_cost = 159.781 T0351.try8-opt2.repack-nonPC.pdb.gz costs 344.227 real_cost = 117.843 T0351.try8-opt2.pdb.gz costs 340.215 real_cost = 110.870 T0351.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 347.501 real_cost = 112.580 T0351.try8-opt2.gromacs0.pdb.gz costs 345.670 real_cost = 111.234 T0351.try8-opt1.pdb.gz costs 349.940 real_cost = 112.656 T0351.try8-opt1-scwrl.pdb.gz costs 351.122 real_cost = 109.033 T0351.try7-opt2.repack-nonPC.pdb.gz costs 348.524 real_cost = 181.817 T0351.try7-opt2.pdb.gz costs 345.396 real_cost = 184.065 T0351.try7-opt2.gromacs0.pdb.gz costs 369.790 real_cost = 184.562 T0351.try7-opt1.pdb.gz costs 356.458 real_cost = 182.291 T0351.try7-opt1-scwrl.pdb.gz costs 361.767 real_cost = 181.849 T0351.try6-opt2.repack-nonPC.pdb.gz costs 362.944 real_cost = 126.706 T0351.try6-opt2.pdb.gz costs 358.936 real_cost = 129.630 T0351.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 381.218 real_cost = 135.806 T0351.try6-opt2.gromacs0.pdb.gz costs 377.756 real_cost = 141.253 T0351.try6-opt1.pdb.gz costs 367.940 real_cost = 138.430 T0351.try6-opt1-scwrl.pdb.gz costs 368.425 real_cost = 139.136 T0351.try5-opt2.repack-nonPC.pdb.gz costs 334.658 real_cost = 182.453 T0351.try5-opt2.pdb.gz costs 330.354 real_cost = 185.969 T0351.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 345.743 real_cost = 174.841 T0351.try5-opt2.gromacs0.pdb.gz costs 342.884 real_cost = 178.094 T0351.try5-opt1.pdb.gz costs 339.510 real_cost = 188.855 T0351.try5-opt1-scwrl.pdb.gz costs 342.811 real_cost = 188.529 T0351.try4-opt2.repack-nonPC.pdb.gz costs 339.755 real_cost = 139.437 T0351.try4-opt2.pdb.gz costs 337.528 real_cost = 139.779 T0351.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 346.574 real_cost = 139.288 T0351.try4-opt2.gromacs0.pdb.gz costs 345.494 real_cost = 140.355 T0351.try4-opt1.pdb.gz costs 344.720 real_cost = 133.529 T0351.try4-opt1-scwrl.pdb.gz costs 347.803 real_cost = 134.623 T0351.try3-opt2.repack-nonPC.pdb.gz costs 352.215 real_cost = 183.174 T0351.try3-opt2.pdb.gz costs 349.842 real_cost = 183.554 T0351.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 361.300 real_cost = 181.070 T0351.try3-opt2.gromacs0.pdb.gz costs 361.313 real_cost = 181.832 T0351.try3-opt1.pdb.gz costs 357.620 real_cost = 188.361 T0351.try3-opt1-scwrl.pdb.gz costs 360.289 real_cost = 187.605 T0351.try2-opt2.repack-nonPC.pdb.gz costs 351.172 real_cost = 137.833 T0351.try2-opt2.pdb.gz costs 345.121 real_cost = 133.698 T0351.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 361.013 real_cost = 131.364 T0351.try2-opt2.gromacs0.pdb.gz costs 356.346 real_cost = 129.772 T0351.try2-opt1.pdb.gz costs 350.257 real_cost = 135.272 T0351.try2-opt1-scwrl.pdb.gz costs 351.547 real_cost = 133.631 T0351.try17-opt2.repack-nonPC.pdb.gz costs 371.306 real_cost = 185.911 T0351.try17-opt2.pdb.gz costs 366.211 real_cost = 179.330 T0351.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 380.201 real_cost = 187.678 T0351.try17-opt2.gromacs0.pdb.gz costs 376.102 real_cost = 187.713 T0351.try17-opt1.pdb.gz costs 372.136 real_cost = 182.381 T0351.try17-opt1-scwrl.pdb.gz costs 376.804 real_cost = 188.880 T0351.try16-opt2.repack-nonPC.pdb.gz costs 335.113 real_cost = 152.956 T0351.try16-opt2.pdb.gz costs 331.776 real_cost = 155.581 T0351.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 349.824 real_cost = 149.107 T0351.try16-opt2.gromacs0.pdb.gz costs 349.947 real_cost = 148.832 T0351.try16-opt1.pdb.gz costs 336.537 real_cost = 154.585 T0351.try16-opt1-scwrl.pdb.gz costs 338.254 real_cost = 153.282 T0351.try15-opt2.repack-nonPC.pdb.gz costs 360.236 real_cost = 150.917 T0351.try15-opt2.pdb.gz costs 355.748 real_cost = 150.697 T0351.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 369.918 real_cost = 153.673 T0351.try15-opt2.gromacs0.pdb.gz costs 367.813 real_cost = 150.870 T0351.try15-opt1.pdb.gz costs 360.760 real_cost = 151.576 T0351.try15-opt1-scwrl.pdb.gz costs 362.436 real_cost = 150.360 T0351.try14-opt2.repack-nonPC.pdb.gz costs 350.914 real_cost = 166.300 T0351.try14-opt2.pdb.gz costs 346.702 real_cost = 166.695 T0351.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 359.213 real_cost = 162.983 T0351.try14-opt2.gromacs0.pdb.gz costs 356.684 real_cost = 166.603 T0351.try14-opt1.pdb.gz costs 352.730 real_cost = 174.691 T0351.try14-opt1-scwrl.pdb.gz costs 352.738 real_cost = 169.942 T0351.try13-opt2.repack-nonPC.pdb.gz costs 361.994 real_cost = 123.958 T0351.try13-opt2.pdb.gz costs 358.702 real_cost = 124.649 T0351.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 374.091 real_cost = 124.038 T0351.try13-opt2.gromacs0.pdb.gz costs 372.060 real_cost = 125.117 T0351.try13-opt1.pdb.gz costs 362.514 real_cost = 121.986 T0351.try13-opt1-scwrl.pdb.gz costs 363.995 real_cost = 121.441 T0351.try12-opt2.repack-nonPC.pdb.gz costs 345.837 real_cost = 137.183 T0351.try12-opt2.pdb.gz costs 344.029 real_cost = 139.407 T0351.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 358.942 real_cost = 141.220 T0351.try12-opt2.gromacs0.pdb.gz costs 357.451 real_cost = 140.630 T0351.try12-opt1.pdb.gz costs 351.600 real_cost = 138.398 T0351.try12-opt1-scwrl.pdb.gz costs 351.417 real_cost = 135.188 T0351.try11-opt2.repack-nonPC.pdb.gz costs 341.732 real_cost = 150.008 T0351.try11-opt2.pdb.gz costs 338.734 real_cost = 150.684 T0351.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 357.929 real_cost = 149.236 T0351.try11-opt2.gromacs0.pdb.gz costs 356.163 real_cost = 148.381 T0351.try11-opt1.pdb.gz costs 350.480 real_cost = 150.230 T0351.try11-opt1-scwrl.pdb.gz costs 351.657 real_cost = 147.596 T0351.try10-opt2.repack-nonPC.pdb.gz costs 349.148 real_cost = 114.171 T0351.try10-opt2.pdb.gz costs 346.108 real_cost = 109.578 T0351.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 359.218 real_cost = 101.518 T0351.try10-opt2.gromacs0.pdb.gz costs 357.601 real_cost = 109.391 T0351.try10-opt1.pdb.gz costs 355.240 real_cost = 132.320 T0351.try10-opt1-scwrl.pdb.gz costs 356.908 real_cost = 129.831 T0351.try1-opt2.repack-nonPC.pdb.gz costs 355.007 real_cost = 137.379 T0351.try1-opt2.pdb.gz costs 353.005 real_cost = 137.323 T0351.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 368.262 real_cost = 138.202 T0351.try1-opt2.gromacs0.pdb.gz costs 367.104 real_cost = 140.387 T0351.try1-opt1.pdb.gz costs 361.969 real_cost = 137.442 T0351.try1-opt1-scwrl.pdb.gz costs 362.433 real_cost = 136.565 ../model5.ts-submitted costs 337.568 real_cost = 139.807 ../model4.ts-submitted costs 353.043 real_cost = 137.326 ../model3.ts-submitted costs 330.404 real_cost = 185.938 ../model2.ts-submitted costs 338.702 real_cost = 150.667 ../model1.ts-submitted costs 346.322 real_cost = 109.535 align5 costs 4697.566 real_cost = 186.621 align4 costs 2262.843 real_cost = 246.997 align3 costs 2617.730 real_cost = 291.486 align2 costs 1684.090 real_cost = 328.085 align1 costs 1818.141 real_cost = 265.018 T0351.try1-opt2.pdb costs 353.004 real_cost = 137.323 model5-scwrl costs 342.342 real_cost = 138.631 model5.ts-submitted costs 337.568 real_cost = 139.807 model4-scwrl costs 356.265 real_cost = 136.142 model4.ts-submitted costs 353.043 real_cost = 137.326 model3-scwrl costs 336.116 real_cost = 187.023 model3.ts-submitted costs 330.404 real_cost = 185.938 model2-scwrl costs 345.627 real_cost = 146.269 model2.ts-submitted costs 338.702 real_cost = 150.667 model1-scwrl costs 349.422 real_cost = 109.037 model1.ts-submitted costs 346.322 real_cost = 109.535 2hg7A costs 771.826 real_cost = -802.400 # command:CPU_time= 106.680 sec, elapsed time= 947.980 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/T0351'