make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0362' 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/T0362.} ;\ 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/T0362/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hx5A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174598517 # 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= 6.12307 sec, elapsed time= 12.1306 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= 6.20206 sec, elapsed time= 12.4307 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0362 numbered 1 through 151 Created new target T0362 from T0362.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0362 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 T0362.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 T0362.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 T0362.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= 8.96764 sec, elapsed time= 18.391 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 147 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -74.8264 # GDT_score(maxd=8,maxw=2.9)= -79.4566 # GDT_score(maxd=8,maxw=3.2)= -75.4656 # GDT_score(maxd=8,maxw=3.5)= -71.2928 # GDT_score(maxd=10,maxw=3.8)= -73.8374 # GDT_score(maxd=10,maxw=4)= -71.21 # GDT_score(maxd=10,maxw=4.2)= -68.6675 # GDT_score(maxd=12,maxw=4.3)= -72.4856 # GDT_score(maxd=12,maxw=4.5)= -70.0254 # GDT_score(maxd=12,maxw=4.7)= -67.6654 # GDT_score(maxd=14,maxw=5.2)= -66.0328 # GDT_score(maxd=14,maxw=5.5)= -62.9219 # 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 42.749 55.289 19.976 1.00 0.00 ATOM 2 CA MET A 1 42.533 56.382 20.956 1.00 0.00 ATOM 3 CB MET A 1 41.036 56.632 21.081 1.00 0.00 ATOM 4 CG MET A 1 40.576 57.834 21.905 1.00 0.00 ATOM 5 SD MET A 1 38.788 58.112 21.623 1.00 0.00 ATOM 6 CE MET A 1 38.848 59.429 20.427 1.00 0.00 ATOM 7 O MET A 1 43.627 56.768 23.026 1.00 0.00 ATOM 8 C MET A 1 43.027 55.968 22.336 1.00 0.00 ATOM 9 N ASN A 2 42.623 54.777 22.740 1.00 0.00 ATOM 10 CA ASN A 2 43.004 54.237 24.037 1.00 0.00 ATOM 11 CB ASN A 2 41.838 54.248 25.006 1.00 0.00 ATOM 12 CG ASN A 2 42.212 53.855 26.409 1.00 0.00 ATOM 13 ND2 ASN A 2 41.314 54.111 27.327 1.00 0.00 ATOM 14 OD1 ASN A 2 43.271 53.261 26.647 1.00 0.00 ATOM 15 O ASN A 2 42.759 51.906 23.630 1.00 0.00 ATOM 16 C ASN A 2 43.554 52.825 23.785 1.00 0.00 ATOM 17 N PRO A 3 44.871 52.757 23.516 1.00 0.00 ATOM 18 CA PRO A 3 45.544 51.532 23.065 1.00 0.00 ATOM 19 CB PRO A 3 47.036 51.887 23.063 1.00 0.00 ATOM 20 CG PRO A 3 47.017 53.368 22.709 1.00 0.00 ATOM 21 CD PRO A 3 45.818 53.896 23.502 1.00 0.00 ATOM 22 O PRO A 3 45.371 49.194 23.393 1.00 0.00 ATOM 23 C PRO A 3 45.299 50.290 23.928 1.00 0.00 ATOM 24 N GLU A 4 45.047 50.461 25.233 1.00 0.00 ATOM 25 CA GLU A 4 44.799 49.279 26.096 1.00 0.00 ATOM 26 CB GLU A 4 44.626 49.707 27.555 1.00 0.00 ATOM 27 CG GLU A 4 45.904 50.191 28.224 1.00 0.00 ATOM 28 CD GLU A 4 45.637 50.688 29.618 1.00 0.00 ATOM 29 OE1 GLU A 4 44.494 50.714 30.010 1.00 0.00 ATOM 30 OE2 GLU A 4 46.581 50.933 30.331 1.00 0.00 ATOM 31 O GLU A 4 43.542 47.257 25.667 1.00 0.00 ATOM 32 C GLU A 4 43.565 48.478 25.643 1.00 0.00 ATOM 33 N ASN A 5 42.589 49.183 25.102 1.00 0.00 ATOM 34 CA ASN A 5 41.449 48.460 24.522 1.00 0.00 ATOM 35 CB ASN A 5 40.129 49.060 24.965 1.00 0.00 ATOM 36 CG ASN A 5 39.844 48.882 26.432 1.00 0.00 ATOM 37 ND2 ASN A 5 39.010 49.745 26.953 1.00 0.00 ATOM 38 OD1 ASN A 5 40.319 47.933 27.066 1.00 0.00 ATOM 39 O ASN A 5 41.526 49.499 22.382 1.00 0.00 ATOM 40 C ASN A 5 41.538 48.437 23.004 1.00 0.00 ATOM 41 N TRP A 6 41.182 47.259 22.478 1.00 0.00 ATOM 42 CA TRP A 6 41.104 47.012 21.018 1.00 0.00 ATOM 43 CB TRP A 6 40.584 45.635 20.661 1.00 0.00 ATOM 44 CG TRP A 6 39.291 45.226 21.336 1.00 0.00 ATOM 45 CD1 TRP A 6 39.223 44.569 22.483 1.00 0.00 ATOM 46 CD2 TRP A 6 37.985 45.424 20.892 1.00 0.00 ATOM 47 CE2 TRP A 6 37.181 44.868 21.867 1.00 0.00 ATOM 48 CE3 TRP A 6 37.435 45.974 19.755 1.00 0.00 ATOM 49 NE1 TRP A 6 37.953 44.338 22.784 1.00 0.00 ATOM 50 CZ2 TRP A 6 35.805 44.893 21.735 1.00 0.00 ATOM 51 CZ3 TRP A 6 36.049 45.978 19.613 1.00 0.00 ATOM 52 CH2 TRP A 6 35.234 45.443 20.597 1.00 0.00 ATOM 53 O TRP A 6 40.367 48.335 19.129 1.00 0.00 ATOM 54 C TRP A 6 40.169 47.974 20.291 1.00 0.00 ATOM 55 N LEU A 7 39.109 48.334 21.007 1.00 0.00 ATOM 56 CA LEU A 7 38.056 49.217 20.496 1.00 0.00 ATOM 57 CB LEU A 7 37.026 49.505 21.595 1.00 0.00 ATOM 58 CG LEU A 7 35.982 50.575 21.249 1.00 0.00 ATOM 59 CD1 LEU A 7 35.155 50.129 20.052 1.00 0.00 ATOM 60 CD2 LEU A 7 35.091 50.826 22.456 1.00 0.00 ATOM 61 O LEU A 7 38.209 51.037 18.920 1.00 0.00 ATOM 62 C LEU A 7 38.633 50.529 19.958 1.00 0.00 ATOM 63 N LEU A 8 39.653 51.022 20.658 1.00 0.00 ATOM 64 CA LEU A 8 40.358 52.231 20.230 1.00 0.00 ATOM 65 CB LEU A 8 40.251 53.316 21.308 1.00 0.00 ATOM 66 CG LEU A 8 38.830 53.605 21.806 1.00 0.00 ATOM 67 CD1 LEU A 8 38.882 54.437 23.081 1.00 0.00 ATOM 68 CD2 LEU A 8 38.048 54.329 20.722 1.00 0.00 ATOM 69 O LEU A 8 42.568 51.483 20.767 1.00 0.00 ATOM 70 C LEU A 8 41.826 51.945 19.913 1.00 0.00 ATOM 71 N LEU A 9 42.289 52.619 18.867 1.00 0.00 ATOM 72 CA LEU A 9 43.690 52.467 18.403 1.00 0.00 ATOM 73 CB LEU A 9 43.761 51.454 17.253 1.00 0.00 ATOM 74 CG LEU A 9 45.157 50.884 16.972 1.00 0.00 ATOM 75 CD1 LEU A 9 45.915 51.804 16.024 1.00 0.00 ATOM 76 CD2 LEU A 9 45.912 50.717 18.281 1.00 0.00 ATOM 77 O LEU A 9 43.675 54.542 17.222 1.00 0.00 ATOM 78 C LEU A 9 44.312 53.793 17.958 1.00 0.00 ATOM 79 N ARG A 10 45.333 54.236 18.679 1.00 0.00 ATOM 80 CA ARG A 10 46.011 55.507 18.348 1.00 0.00 ATOM 81 CB ARG A 10 46.718 56.112 19.552 1.00 0.00 ATOM 82 CG ARG A 10 47.390 57.452 19.293 1.00 0.00 ATOM 83 CD ARG A 10 48.041 58.051 20.486 1.00 0.00 ATOM 84 NE ARG A 10 48.703 59.321 20.237 1.00 0.00 ATOM 85 CZ ARG A 10 49.354 60.040 21.172 1.00 0.00 ATOM 86 NH1 ARG A 10 49.401 59.641 22.423 1.00 0.00 ATOM 87 NH2 ARG A 10 49.924 61.174 20.802 1.00 0.00 ATOM 88 O ARG A 10 47.837 54.486 17.170 1.00 0.00 ATOM 89 C ARG A 10 46.978 55.371 17.169 1.00 0.00 ATOM 90 N ARG A 11 46.895 56.322 16.247 1.00 0.00 ATOM 91 CA ARG A 11 47.906 56.461 15.193 1.00 0.00 ATOM 92 CB ARG A 11 47.435 55.884 13.865 1.00 0.00 ATOM 93 CG ARG A 11 47.253 54.375 13.853 1.00 0.00 ATOM 94 CD ARG A 11 48.521 53.605 13.772 1.00 0.00 ATOM 95 NE ARG A 11 48.353 52.161 13.816 1.00 0.00 ATOM 96 CZ ARG A 11 49.361 51.279 13.954 1.00 0.00 ATOM 97 NH1 ARG A 11 50.610 51.682 14.024 1.00 0.00 ATOM 98 NH2 ARG A 11 49.063 49.991 13.993 1.00 0.00 ATOM 99 O ARG A 11 47.669 58.857 15.212 1.00 0.00 ATOM 100 C ARG A 11 48.392 57.891 14.997 1.00 0.00 ATOM 101 N VAL A 12 49.678 57.960 14.682 1.00 0.00 ATOM 102 CA VAL A 12 50.370 59.235 14.451 1.00 0.00 ATOM 103 CB VAL A 12 51.689 59.314 15.244 1.00 0.00 ATOM 104 CG1 VAL A 12 52.411 60.620 14.947 1.00 0.00 ATOM 105 CG2 VAL A 12 51.424 59.179 16.735 1.00 0.00 ATOM 106 O VAL A 12 51.264 58.468 12.365 1.00 0.00 ATOM 107 C VAL A 12 50.615 59.337 12.949 1.00 0.00 ATOM 108 N VAL A 13 50.224 60.491 12.444 1.00 0.00 ATOM 109 CA VAL A 13 50.426 60.815 11.023 1.00 0.00 ATOM 110 CB VAL A 13 49.550 61.996 10.583 1.00 0.00 ATOM 111 CG1 VAL A 13 49.773 62.389 9.111 1.00 0.00 ATOM 112 CG2 VAL A 13 48.090 61.608 10.768 1.00 0.00 ATOM 113 O VAL A 13 52.331 62.202 11.313 1.00 0.00 ATOM 114 C VAL A 13 51.889 61.182 10.799 1.00 0.00 ATOM 115 N ARG A 14 52.481 60.520 9.816 1.00 0.00 ATOM 116 CA ARG A 14 53.810 60.855 9.295 1.00 0.00 ATOM 117 CB ARG A 14 54.795 59.705 9.453 1.00 0.00 ATOM 118 CG ARG A 14 55.153 59.363 10.891 1.00 0.00 ATOM 119 CD ARG A 14 56.075 58.207 11.033 1.00 0.00 ATOM 120 NE ARG A 14 55.545 56.948 10.537 1.00 0.00 ATOM 121 CZ ARG A 14 56.238 55.793 10.484 1.00 0.00 ATOM 122 NH1 ARG A 14 57.497 55.742 10.858 1.00 0.00 ATOM 123 NH2 ARG A 14 55.626 54.717 10.022 1.00 0.00 ATOM 124 O ARG A 14 52.689 61.309 7.210 1.00 0.00 ATOM 125 C ARG A 14 53.738 61.329 7.845 1.00 0.00 ATOM 126 N PHE A 15 54.896 61.708 7.313 1.00 0.00 ATOM 127 CA PHE A 15 55.038 62.253 5.963 1.00 0.00 ATOM 128 CB PHE A 15 56.480 62.698 5.715 1.00 0.00 ATOM 129 CG PHE A 15 56.699 63.324 4.368 1.00 0.00 ATOM 130 CD1 PHE A 15 56.286 64.625 4.117 1.00 0.00 ATOM 131 CD2 PHE A 15 57.314 62.614 3.348 1.00 0.00 ATOM 132 CE1 PHE A 15 56.487 65.203 2.877 1.00 0.00 ATOM 133 CE2 PHE A 15 57.516 63.190 2.108 1.00 0.00 ATOM 134 CZ PHE A 15 57.101 64.486 1.873 1.00 0.00 ATOM 135 O PHE A 15 53.940 61.588 3.951 1.00 0.00 ATOM 136 C PHE A 15 54.614 61.227 4.909 1.00 0.00 ATOM 137 N GLY A 16 54.909 59.964 5.201 1.00 0.00 ATOM 138 CA GLY A 16 54.518 58.806 4.372 1.00 0.00 ATOM 139 O GLY A 16 52.570 58.187 3.065 1.00 0.00 ATOM 140 C GLY A 16 53.013 58.712 4.085 1.00 0.00 ATOM 141 N ASP A 17 52.275 59.386 4.950 1.00 0.00 ATOM 142 CA ASP A 17 50.840 59.198 5.130 1.00 0.00 ATOM 143 CB ASP A 17 50.503 59.029 6.615 1.00 0.00 ATOM 144 CG ASP A 17 51.288 57.927 7.314 1.00 0.00 ATOM 145 OD1 ASP A 17 51.331 56.835 6.798 1.00 0.00 ATOM 146 OD2 ASP A 17 51.963 58.222 8.271 1.00 0.00 ATOM 147 O ASP A 17 48.932 60.321 4.118 1.00 0.00 ATOM 148 C ASP A 17 50.091 60.419 4.515 1.00 0.00 ATOM 149 N THR A 18 50.856 61.472 4.195 1.00 0.00 ATOM 150 CA THR A 18 50.356 62.721 3.592 1.00 0.00 ATOM 151 CB THR A 18 50.959 63.961 4.277 1.00 0.00 ATOM 152 CG2 THR A 18 50.669 63.938 5.771 1.00 0.00 ATOM 153 OG1 THR A 18 52.377 63.981 4.071 1.00 0.00 ATOM 154 O THR A 18 51.465 62.042 1.545 1.00 0.00 ATOM 155 C THR A 18 50.662 62.794 2.083 1.00 0.00 ATOM 156 N ASP A 19 49.964 63.714 1.430 1.00 0.00 ATOM 157 CA ASP A 19 50.150 63.987 -0.012 1.00 0.00 ATOM 158 CB ASP A 19 48.912 63.556 -0.802 1.00 0.00 ATOM 159 CG ASP A 19 47.641 64.309 -0.438 1.00 0.00 ATOM 160 OD1 ASP A 19 47.727 65.264 0.296 1.00 0.00 ATOM 161 OD2 ASP A 19 46.619 64.023 -1.017 1.00 0.00 ATOM 162 O ASP A 19 50.513 66.291 0.683 1.00 0.00 ATOM 163 C ASP A 19 50.445 65.480 -0.249 1.00 0.00 ATOM 164 N ALA A 20 50.600 65.827 -1.523 1.00 0.00 ATOM 165 CA ALA A 20 50.866 67.225 -1.909 1.00 0.00 ATOM 166 CB ALA A 20 51.217 67.401 -3.379 1.00 0.00 ATOM 167 O ALA A 20 50.061 69.417 -1.434 1.00 0.00 ATOM 168 C ALA A 20 49.765 68.233 -1.566 1.00 0.00 ATOM 169 N ALA A 21 48.529 67.760 -1.396 1.00 0.00 ATOM 170 CA ALA A 21 47.434 68.603 -0.886 1.00 0.00 ATOM 171 CB ALA A 21 46.106 67.843 -0.894 1.00 0.00 ATOM 172 O ALA A 21 47.103 70.149 0.906 1.00 0.00 ATOM 173 C ALA A 21 47.695 69.134 0.525 1.00 0.00 ATOM 174 N GLY A 22 48.510 68.432 1.309 1.00 0.00 ATOM 175 CA GLY A 22 48.816 68.842 2.695 1.00 0.00 ATOM 176 O GLY A 22 48.243 68.383 4.973 1.00 0.00 ATOM 177 C GLY A 22 48.072 68.073 3.791 1.00 0.00 ATOM 178 N VAL A 23 47.294 67.096 3.368 1.00 0.00 ATOM 179 CA VAL A 23 46.505 66.208 4.253 1.00 0.00 ATOM 180 CB VAL A 23 44.995 66.331 3.978 1.00 0.00 ATOM 181 CG1 VAL A 23 44.516 67.749 4.250 1.00 0.00 ATOM 182 CG2 VAL A 23 44.681 65.931 2.543 1.00 0.00 ATOM 183 O VAL A 23 47.764 64.405 3.278 1.00 0.00 ATOM 184 C VAL A 23 46.910 64.734 4.106 1.00 0.00 ATOM 185 N MET A 24 46.238 63.866 4.847 1.00 0.00 ATOM 186 CA MET A 24 46.432 62.416 4.698 1.00 0.00 ATOM 187 CB MET A 24 45.787 61.639 5.839 1.00 0.00 ATOM 188 CG MET A 24 46.612 61.674 7.123 1.00 0.00 ATOM 189 SD MET A 24 45.900 60.569 8.390 1.00 0.00 ATOM 190 CE MET A 24 46.266 58.958 7.733 1.00 0.00 ATOM 191 O MET A 24 44.677 62.313 3.037 1.00 0.00 ATOM 192 C MET A 24 45.803 61.937 3.387 1.00 0.00 ATOM 193 N HIS A 25 46.567 61.117 2.668 1.00 0.00 ATOM 194 CA HIS A 25 46.059 60.504 1.427 1.00 0.00 ATOM 195 CB HIS A 25 47.172 59.725 0.717 1.00 0.00 ATOM 196 CG HIS A 25 46.775 59.430 -0.728 1.00 0.00 ATOM 197 CD2 HIS A 25 47.388 59.866 -1.821 1.00 0.00 ATOM 198 ND1 HIS A 25 45.788 58.627 -1.128 1.00 0.00 ATOM 199 CE1 HIS A 25 45.819 58.548 -2.456 1.00 0.00 ATOM 200 NE2 HIS A 25 46.809 59.316 -2.897 1.00 0.00 ATOM 201 O HIS A 25 44.929 58.860 2.798 1.00 0.00 ATOM 202 C HIS A 25 44.876 59.589 1.802 1.00 0.00 ATOM 203 N PHE A 26 43.825 59.624 1.006 1.00 0.00 ATOM 204 CA PHE A 26 42.590 58.875 1.313 1.00 0.00 ATOM 205 CB PHE A 26 41.536 59.115 0.230 1.00 0.00 ATOM 206 CG PHE A 26 41.683 58.220 -0.968 1.00 0.00 ATOM 207 CD1 PHE A 26 41.001 57.014 -1.039 1.00 0.00 ATOM 208 CD2 PHE A 26 42.504 58.583 -2.025 1.00 0.00 ATOM 209 CE1 PHE A 26 41.136 56.192 -2.140 1.00 0.00 ATOM 210 CE2 PHE A 26 42.640 57.763 -3.127 1.00 0.00 ATOM 211 CZ PHE A 26 41.955 56.565 -3.185 1.00 0.00 ATOM 212 O PHE A 26 42.232 56.754 2.367 1.00 0.00 ATOM 213 C PHE A 26 42.790 57.365 1.467 1.00 0.00 ATOM 214 N HIS A 27 43.730 56.828 0.669 1.00 0.00 ATOM 215 CA HIS A 27 44.060 55.400 0.768 1.00 0.00 ATOM 216 CB HIS A 27 44.792 54.834 -0.460 1.00 0.00 ATOM 217 CG HIS A 27 46.320 54.951 -0.434 1.00 0.00 ATOM 218 CD2 HIS A 27 47.137 54.207 0.321 1.00 0.00 ATOM 219 ND1 HIS A 27 47.069 55.814 -1.110 1.00 0.00 ATOM 220 CE1 HIS A 27 48.329 55.623 -0.759 1.00 0.00 ATOM 221 NE2 HIS A 27 48.375 54.629 0.124 1.00 0.00 ATOM 222 O HIS A 27 44.659 53.869 2.536 1.00 0.00 ATOM 223 C HIS A 27 44.747 55.010 2.087 1.00 0.00 ATOM 224 N GLN A 28 45.490 55.969 2.640 1.00 0.00 ATOM 225 CA GLN A 28 46.211 55.799 3.924 1.00 0.00 ATOM 226 CB GLN A 28 47.004 57.046 4.291 1.00 0.00 ATOM 227 CG GLN A 28 48.255 57.198 3.440 1.00 0.00 ATOM 228 CD GLN A 28 49.206 55.999 3.584 1.00 0.00 ATOM 229 OE1 GLN A 28 49.262 55.229 4.530 1.00 0.00 ATOM 230 NE2 GLN A 28 49.995 55.823 2.578 1.00 0.00 ATOM 231 O GLN A 28 45.528 54.556 5.868 1.00 0.00 ATOM 232 C GLN A 28 45.278 55.486 5.096 1.00 0.00 ATOM 233 N LEU A 29 44.127 56.142 5.078 1.00 0.00 ATOM 234 CA LEU A 29 43.061 55.900 6.081 1.00 0.00 ATOM 235 CB LEU A 29 41.991 56.985 5.954 1.00 0.00 ATOM 236 CG LEU A 29 42.589 58.346 6.347 1.00 0.00 ATOM 237 CD1 LEU A 29 41.698 59.475 5.847 1.00 0.00 ATOM 238 CD2 LEU A 29 42.749 58.446 7.865 1.00 0.00 ATOM 239 O LEU A 29 42.225 53.862 7.037 1.00 0.00 ATOM 240 C LEU A 29 42.479 54.478 6.001 1.00 0.00 ATOM 241 N PHE A 30 42.488 53.912 4.795 1.00 0.00 ATOM 242 CA PHE A 30 42.154 52.495 4.578 1.00 0.00 ATOM 243 CB PHE A 30 42.165 52.166 3.085 1.00 0.00 ATOM 244 CG PHE A 30 40.840 52.374 2.407 1.00 0.00 ATOM 245 CD1 PHE A 30 40.712 53.282 1.367 1.00 0.00 ATOM 246 CD2 PHE A 30 39.719 51.665 2.811 1.00 0.00 ATOM 247 CE1 PHE A 30 39.494 53.474 0.743 1.00 0.00 ATOM 248 CE2 PHE A 30 38.501 51.855 2.189 1.00 0.00 ATOM 249 CZ PHE A 30 38.389 52.761 1.154 1.00 0.00 ATOM 250 O PHE A 30 42.680 50.652 6.021 1.00 0.00 ATOM 251 C PHE A 30 43.107 51.555 5.316 1.00 0.00 ATOM 252 N ARG A 31 44.409 51.839 5.165 1.00 0.00 ATOM 253 CA ARG A 31 45.458 51.091 5.872 1.00 0.00 ATOM 254 CB ARG A 31 46.854 51.475 5.402 1.00 0.00 ATOM 255 CG ARG A 31 47.990 50.804 6.155 1.00 0.00 ATOM 256 CD ARG A 31 47.940 49.319 6.142 1.00 0.00 ATOM 257 NE ARG A 31 48.983 48.674 6.922 1.00 0.00 ATOM 258 CZ ARG A 31 50.219 48.393 6.465 1.00 0.00 ATOM 259 NH1 ARG A 31 50.558 48.663 5.224 1.00 0.00 ATOM 260 NH2 ARG A 31 51.074 47.816 7.291 1.00 0.00 ATOM 261 O ARG A 31 45.468 50.269 8.140 1.00 0.00 ATOM 262 C ARG A 31 45.315 51.244 7.403 1.00 0.00 ATOM 263 N TRP A 32 44.973 52.457 7.832 1.00 0.00 ATOM 264 CA TRP A 32 44.741 52.783 9.253 1.00 0.00 ATOM 265 CB TRP A 32 44.402 54.267 9.411 1.00 0.00 ATOM 266 CG TRP A 32 45.538 55.087 9.944 1.00 0.00 ATOM 267 CD1 TRP A 32 45.453 56.115 10.834 1.00 0.00 ATOM 268 CD2 TRP A 32 46.926 54.947 9.621 1.00 0.00 ATOM 269 CE2 TRP A 32 47.625 55.924 10.352 1.00 0.00 ATOM 270 CE3 TRP A 32 47.646 54.088 8.782 1.00 0.00 ATOM 271 NE1 TRP A 32 46.702 56.625 11.085 1.00 0.00 ATOM 272 CZ2 TRP A 32 49.001 56.069 10.273 1.00 0.00 ATOM 273 CZ3 TRP A 32 49.026 54.232 8.704 1.00 0.00 ATOM 274 CH2 TRP A 32 49.684 55.194 9.428 1.00 0.00 ATOM 275 O TRP A 32 43.760 51.332 10.896 1.00 0.00 ATOM 276 C TRP A 32 43.616 51.916 9.830 1.00 0.00 ATOM 277 N CYS A 33 42.582 51.739 9.009 1.00 0.00 ATOM 278 CA CYS A 33 41.457 50.877 9.397 1.00 0.00 ATOM 279 CB CYS A 33 40.282 50.953 8.431 1.00 0.00 ATOM 280 SG CYS A 33 38.977 49.883 9.135 1.00 0.00 ATOM 281 O CYS A 33 41.514 48.772 10.552 1.00 0.00 ATOM 282 C CYS A 33 41.885 49.413 9.561 1.00 0.00 ATOM 283 N HIS A 34 42.691 48.949 8.614 1.00 0.00 ATOM 284 CA HIS A 34 43.205 47.563 8.610 1.00 0.00 ATOM 285 CB HIS A 34 44.020 47.300 7.349 1.00 0.00 ATOM 286 CG HIS A 34 44.480 45.840 7.294 1.00 0.00 ATOM 287 CD2 HIS A 34 45.717 45.383 7.482 1.00 0.00 ATOM 288 ND1 HIS A 34 43.692 44.799 7.082 1.00 0.00 ATOM 289 CE1 HIS A 34 44.425 43.692 7.142 1.00 0.00 ATOM 290 NE2 HIS A 34 45.684 44.057 7.377 1.00 0.00 ATOM 291 O HIS A 34 43.806 46.309 10.571 1.00 0.00 ATOM 292 C HIS A 34 44.062 47.276 9.856 1.00 0.00 ATOM 293 N GLU A 35 44.906 48.242 10.203 1.00 0.00 ATOM 294 CA GLU A 35 45.758 48.164 11.402 1.00 0.00 ATOM 295 CB GLU A 35 46.668 49.392 11.493 1.00 0.00 ATOM 296 CG GLU A 35 47.783 49.426 10.458 1.00 0.00 ATOM 297 CD GLU A 35 48.674 48.221 10.576 1.00 0.00 ATOM 298 OE1 GLU A 35 49.149 47.959 11.655 1.00 0.00 ATOM 299 OE2 GLU A 35 48.794 47.498 9.615 1.00 0.00 ATOM 300 O GLU A 35 45.141 47.148 13.502 1.00 0.00 ATOM 301 C GLU A 35 44.925 48.038 12.684 1.00 0.00 ATOM 302 N SER A 36 43.846 48.807 12.736 1.00 0.00 ATOM 303 CA SER A 36 42.898 48.783 13.859 1.00 0.00 ATOM 304 CB SER A 36 41.858 49.873 13.687 1.00 0.00 ATOM 305 OG SER A 36 40.919 49.873 14.729 1.00 0.00 ATOM 306 O SER A 36 42.151 46.887 15.127 1.00 0.00 ATOM 307 C SER A 36 42.190 47.435 14.031 1.00 0.00 ATOM 308 N TRP A 37 41.672 46.896 12.927 1.00 0.00 ATOM 309 CA TRP A 37 41.054 45.556 12.924 1.00 0.00 ATOM 310 CB TRP A 37 40.515 45.218 11.533 1.00 0.00 ATOM 311 CG TRP A 37 40.047 43.759 11.410 1.00 0.00 ATOM 312 CD1 TRP A 37 40.539 42.887 10.539 1.00 0.00 ATOM 313 CD2 TRP A 37 39.125 43.074 12.202 1.00 0.00 ATOM 314 CE2 TRP A 37 39.112 41.768 11.718 1.00 0.00 ATOM 315 CE3 TRP A 37 38.310 43.422 13.262 1.00 0.00 ATOM 316 NE1 TRP A 37 39.977 41.694 10.713 1.00 0.00 ATOM 317 CZ2 TRP A 37 38.270 40.829 12.303 1.00 0.00 ATOM 318 CZ3 TRP A 37 37.458 42.483 13.836 1.00 0.00 ATOM 319 CH2 TRP A 37 37.434 41.186 13.351 1.00 0.00 ATOM 320 O TRP A 37 41.684 43.685 14.302 1.00 0.00 ATOM 321 C TRP A 37 42.025 44.480 13.416 1.00 0.00 ATOM 322 N GLU A 38 43.257 44.622 12.945 1.00 0.00 ATOM 323 CA GLU A 38 44.358 43.725 13.318 1.00 0.00 ATOM 324 CB GLU A 38 45.609 44.042 12.496 1.00 0.00 ATOM 325 CG GLU A 38 46.790 43.123 12.769 1.00 0.00 ATOM 326 CD GLU A 38 47.961 43.461 11.889 1.00 0.00 ATOM 327 OE1 GLU A 38 47.843 44.363 11.096 1.00 0.00 ATOM 328 OE2 GLU A 38 49.009 42.893 12.085 1.00 0.00 ATOM 329 O GLU A 38 44.678 42.760 15.487 1.00 0.00 ATOM 330 C GLU A 38 44.710 43.791 14.808 1.00 0.00 ATOM 331 N GLU A 39 44.734 45.009 15.345 1.00 0.00 ATOM 332 CA GLU A 39 44.973 45.250 16.783 1.00 0.00 ATOM 333 CB GLU A 39 45.102 46.749 17.062 1.00 0.00 ATOM 334 CG GLU A 39 46.381 47.380 16.529 1.00 0.00 ATOM 335 CD GLU A 39 47.598 46.724 17.117 1.00 0.00 ATOM 336 OE1 GLU A 39 47.677 46.626 18.319 1.00 0.00 ATOM 337 OE2 GLU A 39 48.398 46.218 16.365 1.00 0.00 ATOM 338 O GLU A 39 44.085 44.009 18.656 1.00 0.00 ATOM 339 C GLU A 39 43.856 44.652 17.633 1.00 0.00 ATOM 340 N SER A 40 42.634 44.800 17.155 1.00 0.00 ATOM 341 CA SER A 40 41.444 44.265 17.829 1.00 0.00 ATOM 342 CB SER A 40 40.194 44.649 17.065 1.00 0.00 ATOM 343 OG SER A 40 39.966 46.032 17.087 1.00 0.00 ATOM 344 O SER A 40 41.307 42.196 19.063 1.00 0.00 ATOM 345 C SER A 40 41.535 42.740 17.978 1.00 0.00 ATOM 346 N LEU A 41 41.932 42.089 16.895 1.00 0.00 ATOM 347 CA LEU A 41 42.179 40.635 16.889 1.00 0.00 ATOM 348 CB LEU A 41 42.508 40.158 15.469 1.00 0.00 ATOM 349 CG LEU A 41 41.337 40.200 14.478 1.00 0.00 ATOM 350 CD1 LEU A 41 41.832 39.883 13.074 1.00 0.00 ATOM 351 CD2 LEU A 41 40.269 39.207 14.912 1.00 0.00 ATOM 352 O LEU A 41 43.155 39.275 18.622 1.00 0.00 ATOM 353 C LEU A 41 43.305 40.217 17.842 1.00 0.00 ATOM 354 N GLU A 42 44.362 41.020 17.834 1.00 0.00 ATOM 355 CA GLU A 42 45.503 40.821 18.750 1.00 0.00 ATOM 356 CB GLU A 42 46.646 41.777 18.398 1.00 0.00 ATOM 357 CG GLU A 42 47.359 41.449 17.093 1.00 0.00 ATOM 358 CD GLU A 42 48.403 42.482 16.769 1.00 0.00 ATOM 359 OE1 GLU A 42 48.512 43.439 17.497 1.00 0.00 ATOM 360 OE2 GLU A 42 49.166 42.259 15.858 1.00 0.00 ATOM 361 O GLU A 42 45.514 40.221 21.072 1.00 0.00 ATOM 362 C GLU A 42 45.112 41.014 20.217 1.00 0.00 ATOM 363 N SER A 43 44.122 41.871 20.431 1.00 0.00 ATOM 364 CA SER A 43 43.556 42.104 21.757 1.00 0.00 ATOM 365 CB SER A 43 42.486 43.175 21.822 1.00 0.00 ATOM 366 OG SER A 43 43.162 44.399 21.582 1.00 0.00 ATOM 367 O SER A 43 42.960 40.688 23.500 1.00 0.00 ATOM 368 C SER A 43 42.896 40.870 22.300 1.00 0.00 ATOM 369 N TYR A 44 42.305 40.065 21.420 1.00 0.00 ATOM 370 CA TYR A 44 41.731 38.800 21.877 1.00 0.00 ATOM 371 CB TYR A 44 40.226 38.745 21.550 1.00 0.00 ATOM 372 CG TYR A 44 39.428 39.729 22.441 1.00 0.00 ATOM 373 CD1 TYR A 44 39.972 40.399 23.543 1.00 0.00 ATOM 374 CD2 TYR A 44 38.071 39.902 22.236 1.00 0.00 ATOM 375 CE1 TYR A 44 39.251 41.243 24.373 1.00 0.00 ATOM 376 CE2 TYR A 44 37.350 40.717 23.097 1.00 0.00 ATOM 377 CZ TYR A 44 37.904 41.396 24.168 1.00 0.00 ATOM 378 OH TYR A 44 37.157 42.208 24.958 1.00 0.00 ATOM 379 O TYR A 44 42.117 36.453 21.644 1.00 0.00 ATOM 380 C TYR A 44 42.604 37.577 21.617 1.00 0.00 ATOM 381 N GLY A 45 43.913 37.864 21.517 1.00 0.00 ATOM 382 CA GLY A 45 45.030 36.914 21.411 1.00 0.00 ATOM 383 O GLY A 45 45.721 35.090 19.987 1.00 0.00 ATOM 384 C GLY A 45 45.103 36.145 20.085 1.00 0.00 ATOM 385 N LEU A 46 44.625 36.789 19.031 1.00 0.00 ATOM 386 CA LEU A 46 44.663 36.180 17.687 1.00 0.00 ATOM 387 CB LEU A 46 43.320 36.368 16.991 1.00 0.00 ATOM 388 CG LEU A 46 42.154 35.675 17.700 1.00 0.00 ATOM 389 CD1 LEU A 46 40.836 36.158 17.118 1.00 0.00 ATOM 390 CD2 LEU A 46 42.268 34.153 17.570 1.00 0.00 ATOM 391 O LEU A 46 45.853 38.059 16.764 1.00 0.00 ATOM 392 C LEU A 46 45.777 36.839 16.855 1.00 0.00 ATOM 393 N ASN A 47 46.511 35.969 16.167 1.00 0.00 ATOM 394 CA ASN A 47 47.632 36.408 15.321 1.00 0.00 ATOM 395 CB ASN A 47 48.957 35.883 15.841 1.00 0.00 ATOM 396 CG ASN A 47 49.304 36.372 17.219 1.00 0.00 ATOM 397 ND2 ASN A 47 49.372 35.451 18.146 1.00 0.00 ATOM 398 OD1 ASN A 47 49.581 37.560 17.427 1.00 0.00 ATOM 399 O ASN A 47 47.372 34.777 13.601 1.00 0.00 ATOM 400 C ASN A 47 47.420 35.977 13.870 1.00 0.00 ATOM 401 N PRO A 48 47.317 36.937 12.935 1.00 0.00 ATOM 402 CA PRO A 48 47.059 36.626 11.518 1.00 0.00 ATOM 403 CB PRO A 48 46.860 37.982 10.849 1.00 0.00 ATOM 404 CG PRO A 48 47.688 38.924 11.716 1.00 0.00 ATOM 405 CD PRO A 48 47.481 38.390 13.133 1.00 0.00 ATOM 406 O PRO A 48 47.966 34.900 10.122 1.00 0.00 ATOM 407 C PRO A 48 48.198 35.831 10.899 1.00 0.00 ATOM 408 N ALA A 49 49.417 36.142 11.355 1.00 0.00 ATOM 409 CA ALA A 49 50.629 35.379 11.049 1.00 0.00 ATOM 410 CB ALA A 49 51.879 35.966 11.689 1.00 0.00 ATOM 411 O ALA A 49 50.890 33.079 10.878 1.00 0.00 ATOM 412 C ALA A 49 50.477 33.958 11.563 1.00 0.00 ATOM 413 N ASP A 50 49.915 33.676 12.723 1.00 0.00 ATOM 414 CA ASP A 50 49.726 32.283 13.174 1.00 0.00 ATOM 415 CB ASP A 50 49.467 32.237 14.682 1.00 0.00 ATOM 416 CG ASP A 50 50.692 32.530 15.539 1.00 0.00 ATOM 417 OD1 ASP A 50 51.778 32.521 15.012 1.00 0.00 ATOM 418 OD2 ASP A 50 50.518 32.913 16.672 1.00 0.00 ATOM 419 O ASP A 50 48.692 30.405 12.032 1.00 0.00 ATOM 420 C ASP A 50 48.584 31.556 12.454 1.00 0.00 ATOM 421 N ILE A 51 47.550 32.338 12.208 1.00 0.00 ATOM 422 CA ILE A 51 46.348 31.881 11.516 1.00 0.00 ATOM 423 CB ILE A 51 45.335 33.034 11.611 1.00 0.00 ATOM 424 CG1 ILE A 51 44.865 33.194 13.055 1.00 0.00 ATOM 425 CG2 ILE A 51 44.134 32.900 10.691 1.00 0.00 ATOM 426 CD1 ILE A 51 44.211 31.961 13.667 1.00 0.00 ATOM 427 O ILE A 51 46.438 30.240 9.795 1.00 0.00 ATOM 428 C ILE A 51 46.666 31.407 10.094 1.00 0.00 ATOM 429 N PHE A 52 47.338 32.266 9.344 1.00 0.00 ATOM 430 CA PHE A 52 47.700 31.974 7.948 1.00 0.00 ATOM 431 CB PHE A 52 48.360 33.193 7.301 1.00 0.00 ATOM 432 CG PHE A 52 47.480 34.411 7.268 1.00 0.00 ATOM 433 CD1 PHE A 52 46.276 34.434 7.956 1.00 0.00 ATOM 434 CD2 PHE A 52 47.856 35.537 6.549 1.00 0.00 ATOM 435 CE1 PHE A 52 45.467 35.554 7.927 1.00 0.00 ATOM 436 CE2 PHE A 52 47.050 36.658 6.519 1.00 0.00 ATOM 437 CZ PHE A 52 45.854 36.667 7.209 1.00 0.00 ATOM 438 O PHE A 52 48.344 29.825 7.061 1.00 0.00 ATOM 439 C PHE A 52 48.647 30.748 7.812 1.00 0.00 ATOM 440 N PRO A 53 49.828 30.732 8.446 1.00 0.00 ATOM 441 CA PRO A 53 50.721 29.570 8.535 1.00 0.00 ATOM 442 CB PRO A 53 51.864 29.992 9.434 1.00 0.00 ATOM 443 CG PRO A 53 52.098 31.384 8.885 1.00 0.00 ATOM 444 CD PRO A 53 50.706 31.883 8.568 1.00 0.00 ATOM 445 O PRO A 53 50.222 27.308 8.343 1.00 0.00 ATOM 446 C PRO A 53 50.083 28.306 9.049 1.00 0.00 ATOM 447 N GLY A 54 49.343 28.406 10.150 1.00 0.00 ATOM 448 CA GLY A 54 48.648 27.252 10.747 1.00 0.00 ATOM 449 O GLY A 54 47.995 25.340 9.395 1.00 0.00 ATOM 450 C GLY A 54 47.823 26.516 9.703 1.00 0.00 ATOM 451 N SER A 55 46.985 27.334 9.125 1.00 0.00 ATOM 452 CA SER A 55 45.965 26.875 8.194 1.00 0.00 ATOM 453 CB SER A 55 45.090 28.096 8.083 1.00 0.00 ATOM 454 OG SER A 55 45.748 29.124 7.326 1.00 0.00 ATOM 455 O SER A 55 46.178 25.354 6.344 1.00 0.00 ATOM 456 C SER A 55 46.539 26.411 6.854 1.00 0.00 ATOM 457 N ARG A 56 47.514 27.166 6.333 1.00 0.00 ATOM 458 CA ARG A 56 48.202 26.759 5.088 1.00 0.00 ATOM 459 CB ARG A 56 49.076 27.869 4.525 1.00 0.00 ATOM 460 CG ARG A 56 48.313 29.046 3.936 1.00 0.00 ATOM 461 CD ARG A 56 49.175 30.170 3.487 1.00 0.00 ATOM 462 NE ARG A 56 50.047 29.852 2.368 1.00 0.00 ATOM 463 CZ ARG A 56 51.079 30.618 1.961 1.00 0.00 ATOM 464 NH1 ARG A 56 51.348 31.760 2.552 1.00 0.00 ATOM 465 NH2 ARG A 56 51.800 30.198 0.936 1.00 0.00 ATOM 466 O ARG A 56 49.063 24.683 4.421 1.00 0.00 ATOM 467 C ARG A 56 48.982 25.478 5.325 1.00 0.00 ATOM 468 N LYS A 57 49.678 25.382 6.456 1.00 0.00 ATOM 469 CA LYS A 57 50.449 24.186 6.812 1.00 0.00 ATOM 470 CB LYS A 57 51.216 24.409 8.117 1.00 0.00 ATOM 471 CG LYS A 57 52.069 23.227 8.555 1.00 0.00 ATOM 472 CD LYS A 57 52.846 23.545 9.824 1.00 0.00 ATOM 473 CE LYS A 57 53.671 22.352 10.283 1.00 0.00 ATOM 474 NZ LYS A 57 54.413 22.639 11.540 1.00 0.00 ATOM 475 O LYS A 57 49.871 21.904 6.405 1.00 0.00 ATOM 476 C LYS A 57 49.540 22.950 6.939 1.00 0.00 ATOM 477 N SER A 58 48.502 23.075 7.763 1.00 0.00 ATOM 478 CA SER A 58 47.543 21.972 7.995 1.00 0.00 ATOM 479 CB SER A 58 46.811 22.183 9.306 1.00 0.00 ATOM 480 OG SER A 58 45.827 21.209 9.523 1.00 0.00 ATOM 481 O SER A 58 45.635 22.656 6.694 1.00 0.00 ATOM 482 C SER A 58 46.553 21.857 6.845 1.00 0.00 ATOM 483 N GLU A 59 46.717 20.778 6.083 1.00 0.00 ATOM 484 CA GLU A 59 45.834 20.486 4.923 1.00 0.00 ATOM 485 CB GLU A 59 46.391 19.317 4.107 1.00 0.00 ATOM 486 CG GLU A 59 47.665 19.638 3.338 1.00 0.00 ATOM 487 CD GLU A 59 48.210 18.417 2.651 1.00 0.00 ATOM 488 OE1 GLU A 59 47.651 17.360 2.827 1.00 0.00 ATOM 489 OE2 GLU A 59 49.111 18.558 1.860 1.00 0.00 ATOM 490 O GLU A 59 43.450 20.691 4.793 1.00 0.00 ATOM 491 C GLU A 59 44.409 20.177 5.358 1.00 0.00 ATOM 492 N VAL A 60 44.311 19.518 6.504 1.00 0.00 ATOM 493 CA VAL A 60 43.007 19.227 7.116 1.00 0.00 ATOM 494 CB VAL A 60 43.160 18.412 8.415 1.00 0.00 ATOM 495 CG1 VAL A 60 41.822 18.295 9.131 1.00 0.00 ATOM 496 CG2 VAL A 60 43.725 17.032 8.114 1.00 0.00 ATOM 497 O VAL A 60 41.074 20.622 7.225 1.00 0.00 ATOM 498 C VAL A 60 42.279 20.544 7.401 1.00 0.00 ATOM 499 N THR A 61 42.969 21.485 8.021 1.00 0.00 ATOM 500 CA THR A 61 42.374 22.804 8.252 1.00 0.00 ATOM 501 CB THR A 61 42.780 23.374 9.625 1.00 0.00 ATOM 502 CG2 THR A 61 42.077 24.698 9.882 1.00 0.00 ATOM 503 OG1 THR A 61 42.426 22.441 10.655 1.00 0.00 ATOM 504 O THR A 61 43.645 24.627 7.355 1.00 0.00 ATOM 505 C THR A 61 42.834 23.725 7.118 1.00 0.00 ATOM 506 N PRO A 62 42.208 23.581 5.938 1.00 0.00 ATOM 507 CA PRO A 62 42.672 24.218 4.702 1.00 0.00 ATOM 508 CB PRO A 62 41.837 23.579 3.594 1.00 0.00 ATOM 509 CG PRO A 62 40.479 23.308 4.263 1.00 0.00 ATOM 510 CD PRO A 62 40.866 22.993 5.704 1.00 0.00 ATOM 511 O PRO A 62 41.319 26.198 4.664 1.00 0.00 ATOM 512 C PRO A 62 42.449 25.725 4.787 1.00 0.00 ATOM 513 N GLU A 63 43.475 26.401 5.262 1.00 0.00 ATOM 514 CA GLU A 63 43.606 27.878 5.327 1.00 0.00 ATOM 515 CB GLU A 63 43.839 28.464 3.940 1.00 0.00 ATOM 516 CG GLU A 63 44.648 27.647 2.934 1.00 0.00 ATOM 517 CD GLU A 63 43.782 27.047 1.814 1.00 0.00 ATOM 518 OE1 GLU A 63 43.113 27.816 1.106 1.00 0.00 ATOM 519 OE2 GLU A 63 44.066 25.885 1.491 1.00 0.00 ATOM 520 O GLU A 63 41.370 28.486 6.165 1.00 0.00 ATOM 521 C GLU A 63 42.568 28.741 6.090 1.00 0.00 ATOM 522 N VAL A 64 43.093 29.777 6.739 1.00 0.00 ATOM 523 CA VAL A 64 42.377 30.723 7.626 1.00 0.00 ATOM 524 CB VAL A 64 42.404 30.288 9.112 1.00 0.00 ATOM 525 CG1 VAL A 64 41.444 31.135 9.930 1.00 0.00 ATOM 526 CG2 VAL A 64 41.996 28.832 9.363 1.00 0.00 ATOM 527 O VAL A 64 44.098 32.431 7.777 1.00 0.00 ATOM 528 C VAL A 64 42.952 32.146 7.435 1.00 0.00 ATOM 529 N ALA A 65 42.271 32.890 6.577 1.00 0.00 ATOM 530 CA ALA A 65 42.549 34.322 6.330 1.00 0.00 ATOM 531 CB ALA A 65 43.459 34.453 5.102 1.00 0.00 ATOM 532 O ALA A 65 40.208 34.668 5.848 1.00 0.00 ATOM 533 C ALA A 65 41.288 35.180 6.170 1.00 0.00 ATOM 534 N LEU A 66 41.438 36.501 6.330 1.00 0.00 ATOM 535 CA LEU A 66 40.288 37.427 6.303 1.00 0.00 ATOM 536 CB LEU A 66 40.081 38.055 7.687 1.00 0.00 ATOM 537 CG LEU A 66 39.975 37.057 8.848 1.00 0.00 ATOM 538 CD1 LEU A 66 39.935 37.801 10.175 1.00 0.00 ATOM 539 CD2 LEU A 66 38.729 36.200 8.670 1.00 0.00 ATOM 540 O LEU A 66 40.877 39.663 5.549 1.00 0.00 ATOM 541 C LEU A 66 40.324 38.588 5.291 1.00 0.00 ATOM 542 N PRO A 67 39.749 38.366 4.115 1.00 0.00 ATOM 543 CA PRO A 67 39.630 39.402 3.077 1.00 0.00 ATOM 544 CB PRO A 67 39.580 38.610 1.785 1.00 0.00 ATOM 545 CG PRO A 67 38.982 37.282 2.163 1.00 0.00 ATOM 546 CD PRO A 67 39.652 37.042 3.496 1.00 0.00 ATOM 547 O PRO A 67 37.303 39.902 3.402 1.00 0.00 ATOM 548 C PRO A 67 38.425 40.337 3.138 1.00 0.00 ATOM 549 N ILE A 68 38.667 41.509 2.576 1.00 0.00 ATOM 550 CA ILE A 68 37.611 42.534 2.412 1.00 0.00 ATOM 551 CB ILE A 68 38.208 43.950 2.319 1.00 0.00 ATOM 552 CG1 ILE A 68 38.961 44.299 3.604 1.00 0.00 ATOM 553 CG2 ILE A 68 37.114 44.971 2.044 1.00 0.00 ATOM 554 CD1 ILE A 68 40.183 43.441 3.848 1.00 0.00 ATOM 555 O ILE A 68 37.365 42.105 0.057 1.00 0.00 ATOM 556 C ILE A 68 36.805 42.200 1.147 1.00 0.00 ATOM 557 N ILE A 69 35.508 42.038 1.345 1.00 0.00 ATOM 558 CA ILE A 69 34.562 41.755 0.242 1.00 0.00 ATOM 559 CB ILE A 69 33.458 40.774 0.680 1.00 0.00 ATOM 560 CG1 ILE A 69 32.861 40.065 -0.537 1.00 0.00 ATOM 561 CG2 ILE A 69 32.375 41.506 1.458 1.00 0.00 ATOM 562 CD1 ILE A 69 33.830 39.143 -1.242 1.00 0.00 ATOM 563 O ILE A 69 33.681 43.199 -1.459 1.00 0.00 ATOM 564 C ILE A 69 33.915 43.042 -0.270 1.00 0.00 ATOM 565 N HIS A 70 33.501 43.858 0.677 1.00 0.00 ATOM 566 CA HIS A 70 32.884 45.152 0.368 1.00 0.00 ATOM 567 CB HIS A 70 31.366 45.009 0.232 1.00 0.00 ATOM 568 CG HIS A 70 30.676 46.273 -0.181 1.00 0.00 ATOM 569 CD2 HIS A 70 29.897 47.132 0.517 1.00 0.00 ATOM 570 ND1 HIS A 70 30.756 46.779 -1.461 1.00 0.00 ATOM 571 CE1 HIS A 70 30.054 47.897 -1.532 1.00 0.00 ATOM 572 NE2 HIS A 70 29.524 48.133 -0.347 1.00 0.00 ATOM 573 O HIS A 70 33.319 45.784 2.646 1.00 0.00 ATOM 574 C HIS A 70 33.258 46.137 1.470 1.00 0.00 ATOM 575 N CYS A 71 33.513 47.353 1.029 1.00 0.00 ATOM 576 CA CYS A 71 33.851 48.442 1.947 1.00 0.00 ATOM 577 CB CYS A 71 35.356 48.565 2.222 1.00 0.00 ATOM 578 SG CYS A 71 35.632 49.892 3.451 1.00 0.00 ATOM 579 O CYS A 71 33.582 50.155 0.281 1.00 0.00 ATOM 580 C CYS A 71 33.354 49.792 1.431 1.00 0.00 ATOM 581 N GLN A 72 32.637 50.468 2.316 1.00 0.00 ATOM 582 CA GLN A 72 32.107 51.814 2.030 1.00 0.00 ATOM 583 CB GLN A 72 30.578 51.785 1.952 1.00 0.00 ATOM 584 CG GLN A 72 29.901 51.283 3.215 1.00 0.00 ATOM 585 CD GLN A 72 28.406 51.094 3.033 1.00 0.00 ATOM 586 OE1 GLN A 72 27.619 52.016 3.261 1.00 0.00 ATOM 587 NE2 GLN A 72 28.007 49.894 2.627 1.00 0.00 ATOM 588 O GLN A 72 32.259 52.557 4.270 1.00 0.00 ATOM 589 C GLN A 72 32.563 52.781 3.098 1.00 0.00 ATOM 590 N ALA A 73 33.327 53.751 2.639 1.00 0.00 ATOM 591 CA ALA A 73 33.850 54.815 3.508 1.00 0.00 ATOM 592 CB ALA A 73 35.378 54.817 3.417 1.00 0.00 ATOM 593 O ALA A 73 33.060 56.404 1.908 1.00 0.00 ATOM 594 C ALA A 73 33.277 56.166 3.099 1.00 0.00 ATOM 595 N ASP A 74 32.990 56.958 4.113 1.00 0.00 ATOM 596 CA ASP A 74 32.475 58.329 3.926 1.00 0.00 ATOM 597 CB ASP A 74 31.015 58.420 4.377 1.00 0.00 ATOM 598 CG ASP A 74 30.364 59.774 4.131 1.00 0.00 ATOM 599 OD1 ASP A 74 31.058 60.682 3.741 1.00 0.00 ATOM 600 OD2 ASP A 74 29.160 59.849 4.185 1.00 0.00 ATOM 601 O ASP A 74 33.511 59.110 5.912 1.00 0.00 ATOM 602 C ASP A 74 33.356 59.299 4.707 1.00 0.00 ATOM 603 N PHE A 75 33.863 60.284 3.983 1.00 0.00 ATOM 604 CA PHE A 75 34.745 61.357 4.479 1.00 0.00 ATOM 605 CB PHE A 75 35.791 61.696 3.423 1.00 0.00 ATOM 606 CG PHE A 75 36.712 60.505 3.173 1.00 0.00 ATOM 607 CD1 PHE A 75 36.432 59.625 2.143 1.00 0.00 ATOM 608 CD2 PHE A 75 37.819 60.323 3.988 1.00 0.00 ATOM 609 CE1 PHE A 75 37.280 58.553 1.907 1.00 0.00 ATOM 610 CE2 PHE A 75 38.647 59.240 3.752 1.00 0.00 ATOM 611 CZ PHE A 75 38.388 58.360 2.711 1.00 0.00 ATOM 612 O PHE A 75 33.478 63.344 3.956 1.00 0.00 ATOM 613 C PHE A 75 34.005 62.656 4.834 1.00 0.00 ATOM 614 N ARG A 76 34.289 63.111 6.048 1.00 0.00 ATOM 615 CA ARG A 76 33.702 64.361 6.563 1.00 0.00 ATOM 616 CB ARG A 76 32.945 64.145 7.865 1.00 0.00 ATOM 617 CG ARG A 76 31.760 63.197 7.766 1.00 0.00 ATOM 618 CD ARG A 76 30.609 63.733 6.995 1.00 0.00 ATOM 619 NE ARG A 76 29.491 62.812 6.863 1.00 0.00 ATOM 620 CZ ARG A 76 28.364 63.072 6.173 1.00 0.00 ATOM 621 NH1 ARG A 76 28.184 64.233 5.581 1.00 0.00 ATOM 622 NH2 ARG A 76 27.433 62.137 6.123 1.00 0.00 ATOM 623 O ARG A 76 34.459 66.642 6.427 1.00 0.00 ATOM 624 C ARG A 76 34.730 65.488 6.725 1.00 0.00 ATOM 625 N ARG A 77 35.837 65.171 7.392 1.00 0.00 ATOM 626 CA ARG A 77 36.903 66.133 7.712 1.00 0.00 ATOM 627 CB ARG A 77 36.742 66.727 9.103 1.00 0.00 ATOM 628 CG ARG A 77 35.513 67.600 9.289 1.00 0.00 ATOM 629 CD ARG A 77 35.388 68.204 10.640 1.00 0.00 ATOM 630 NE ARG A 77 34.203 69.025 10.826 1.00 0.00 ATOM 631 CZ ARG A 77 33.881 69.657 11.972 1.00 0.00 ATOM 632 NH1 ARG A 77 34.632 69.536 13.044 1.00 0.00 ATOM 633 NH2 ARG A 77 32.778 70.384 11.996 1.00 0.00 ATOM 634 O ARG A 77 38.449 64.305 7.614 1.00 0.00 ATOM 635 C ARG A 77 38.314 65.530 7.531 1.00 0.00 ATOM 636 N PRO A 78 39.275 66.325 7.048 1.00 0.00 ATOM 637 CA PRO A 78 40.689 65.902 6.894 1.00 0.00 ATOM 638 CB PRO A 78 41.323 67.039 6.133 1.00 0.00 ATOM 639 CG PRO A 78 40.455 68.235 6.504 1.00 0.00 ATOM 640 CD PRO A 78 39.066 67.640 6.419 1.00 0.00 ATOM 641 O PRO A 78 41.368 66.490 9.107 1.00 0.00 ATOM 642 C PRO A 78 41.511 65.725 8.164 1.00 0.00 ATOM 643 N ILE A 79 42.547 64.910 8.000 1.00 0.00 ATOM 644 CA ILE A 79 43.622 64.792 8.992 1.00 0.00 ATOM 645 CB ILE A 79 43.973 63.341 9.302 1.00 0.00 ATOM 646 CG1 ILE A 79 42.768 62.694 9.949 1.00 0.00 ATOM 647 CG2 ILE A 79 45.119 63.176 10.298 1.00 0.00 ATOM 648 CD1 ILE A 79 41.900 62.114 8.858 1.00 0.00 ATOM 649 O ILE A 79 45.062 65.321 7.149 1.00 0.00 ATOM 650 C ILE A 79 44.846 65.441 8.355 1.00 0.00 ATOM 651 N HIS A 80 45.687 65.933 9.238 1.00 0.00 ATOM 652 CA HIS A 80 46.922 66.588 8.792 1.00 0.00 ATOM 653 CB HIS A 80 46.877 68.089 9.094 1.00 0.00 ATOM 654 CG HIS A 80 45.793 68.817 8.362 1.00 0.00 ATOM 655 CD2 HIS A 80 45.827 69.581 7.245 1.00 0.00 ATOM 656 ND1 HIS A 80 44.477 68.803 8.777 1.00 0.00 ATOM 657 CE1 HIS A 80 43.748 69.527 7.945 1.00 0.00 ATOM 658 NE2 HIS A 80 44.545 70.009 7.007 1.00 0.00 ATOM 659 O HIS A 80 48.081 65.107 10.347 1.00 0.00 ATOM 660 C HIS A 80 48.140 65.954 9.455 1.00 0.00 ATOM 661 N THR A 81 49.273 66.299 8.842 1.00 0.00 ATOM 662 CA THR A 81 50.595 65.852 9.305 1.00 0.00 ATOM 663 CB THR A 81 51.729 66.594 8.573 1.00 0.00 ATOM 664 CG2 THR A 81 51.607 68.095 8.781 1.00 0.00 ATOM 665 OG1 THR A 81 52.996 66.147 9.074 1.00 0.00 ATOM 666 O THR A 81 50.651 67.215 11.283 1.00 0.00 ATOM 667 C THR A 81 50.731 66.072 10.828 1.00 0.00 ATOM 668 N GLY A 82 51.111 64.994 11.490 1.00 0.00 ATOM 669 CA GLY A 82 51.378 64.965 12.947 1.00 0.00 ATOM 670 O GLY A 82 50.297 64.666 15.073 1.00 0.00 ATOM 671 C GLY A 82 50.142 64.875 13.867 1.00 0.00 ATOM 672 N ASP A 83 48.964 64.781 13.257 1.00 0.00 ATOM 673 CA ASP A 83 47.729 64.578 14.030 1.00 0.00 ATOM 674 CB ASP A 83 46.500 64.859 13.162 1.00 0.00 ATOM 675 CG ASP A 83 46.258 66.334 12.872 1.00 0.00 ATOM 676 OD1 ASP A 83 46.910 67.153 13.477 1.00 0.00 ATOM 677 OD2 ASP A 83 45.545 66.627 11.943 1.00 0.00 ATOM 678 O ASP A 83 47.991 62.160 13.923 1.00 0.00 ATOM 679 C ASP A 83 47.675 63.151 14.589 1.00 0.00 ATOM 680 N ALA A 84 47.420 63.093 15.880 1.00 0.00 ATOM 681 CA ALA A 84 47.206 61.816 16.556 1.00 0.00 ATOM 682 CB ALA A 84 47.547 61.941 18.044 1.00 0.00 ATOM 683 O ALA A 84 44.820 62.111 16.795 1.00 0.00 ATOM 684 C ALA A 84 45.735 61.445 16.350 1.00 0.00 ATOM 685 N LEU A 85 45.503 60.317 15.719 1.00 0.00 ATOM 686 CA LEU A 85 44.140 59.858 15.430 1.00 0.00 ATOM 687 CB LEU A 85 43.967 59.448 13.970 1.00 0.00 ATOM 688 CG LEU A 85 44.343 60.541 12.998 1.00 0.00 ATOM 689 CD1 LEU A 85 44.132 59.952 11.600 1.00 0.00 ATOM 690 CD2 LEU A 85 43.595 61.839 13.292 1.00 0.00 ATOM 691 O LEU A 85 44.619 57.848 16.696 1.00 0.00 ATOM 692 C LEU A 85 43.775 58.640 16.257 1.00 0.00 ATOM 693 N ALA A 86 42.471 58.495 16.375 1.00 0.00 ATOM 694 CA ALA A 86 41.861 57.365 17.046 1.00 0.00 ATOM 695 CB ALA A 86 41.043 57.985 18.158 1.00 0.00 ATOM 696 O ALA A 86 39.957 57.194 15.609 1.00 0.00 ATOM 697 C ALA A 86 40.931 56.628 16.097 1.00 0.00 ATOM 698 N MET A 87 41.305 55.380 15.841 1.00 0.00 ATOM 699 CA MET A 87 40.440 54.451 15.102 1.00 0.00 ATOM 700 CB MET A 87 41.284 53.423 14.343 1.00 0.00 ATOM 701 CG MET A 87 42.380 54.030 13.472 1.00 0.00 ATOM 702 SD MET A 87 41.779 55.175 12.185 1.00 0.00 ATOM 703 CE MET A 87 40.898 54.064 11.099 1.00 0.00 ATOM 704 O MET A 87 40.044 53.413 17.224 1.00 0.00 ATOM 705 C MET A 87 39.569 53.736 16.129 1.00 0.00 ATOM 706 N GLU A 88 38.294 53.707 15.803 1.00 0.00 ATOM 707 CA GLU A 88 37.293 53.021 16.621 1.00 0.00 ATOM 708 CB GLU A 88 36.196 53.998 17.055 1.00 0.00 ATOM 709 CG GLU A 88 35.100 53.372 17.907 1.00 0.00 ATOM 710 CD GLU A 88 34.070 54.392 18.308 1.00 0.00 ATOM 711 OE1 GLU A 88 34.192 55.523 17.900 1.00 0.00 ATOM 712 OE2 GLU A 88 33.102 54.018 18.927 1.00 0.00 ATOM 713 O GLU A 88 36.639 51.959 14.574 1.00 0.00 ATOM 714 C GLU A 88 36.730 51.859 15.794 1.00 0.00 ATOM 715 N LEU A 89 36.705 50.695 16.427 1.00 0.00 ATOM 716 CA LEU A 89 36.197 49.489 15.743 1.00 0.00 ATOM 717 CB LEU A 89 37.360 48.559 15.375 1.00 0.00 ATOM 718 CG LEU A 89 37.023 47.462 14.358 1.00 0.00 ATOM 719 CD1 LEU A 89 38.171 47.289 13.374 1.00 0.00 ATOM 720 CD2 LEU A 89 36.739 46.158 15.091 1.00 0.00 ATOM 721 O LEU A 89 35.512 48.326 17.704 1.00 0.00 ATOM 722 C LEU A 89 35.185 48.743 16.594 1.00 0.00 ATOM 723 N ARG A 90 34.100 48.321 15.948 1.00 0.00 ATOM 724 CA ARG A 90 33.113 47.439 16.582 1.00 0.00 ATOM 725 CB ARG A 90 32.060 48.219 17.356 1.00 0.00 ATOM 726 CG ARG A 90 31.042 47.362 18.092 1.00 0.00 ATOM 727 CD ARG A 90 30.113 48.128 18.963 1.00 0.00 ATOM 728 NE ARG A 90 29.162 48.959 18.243 1.00 0.00 ATOM 729 CZ ARG A 90 28.377 49.895 18.814 1.00 0.00 ATOM 730 NH1 ARG A 90 28.399 50.095 20.114 1.00 0.00 ATOM 731 NH2 ARG A 90 27.567 50.590 18.035 1.00 0.00 ATOM 732 O ARG A 90 32.047 46.834 14.501 1.00 0.00 ATOM 733 C ARG A 90 32.412 46.449 15.623 1.00 0.00 ATOM 734 N PRO A 91 32.445 45.149 15.972 1.00 0.00 ATOM 735 CA PRO A 91 31.850 44.085 15.140 1.00 0.00 ATOM 736 CB PRO A 91 32.516 42.799 15.652 1.00 0.00 ATOM 737 CG PRO A 91 32.741 43.081 17.139 1.00 0.00 ATOM 738 CD PRO A 91 33.031 44.583 17.201 1.00 0.00 ATOM 739 O PRO A 91 29.849 43.804 16.436 1.00 0.00 ATOM 740 C PRO A 91 30.337 44.086 15.341 1.00 0.00 ATOM 741 N GLU A 92 29.641 44.604 14.339 1.00 0.00 ATOM 742 CA GLU A 92 28.181 44.732 14.399 1.00 0.00 ATOM 743 CB GLU A 92 27.697 45.810 13.426 1.00 0.00 ATOM 744 CG GLU A 92 28.153 47.220 13.771 1.00 0.00 ATOM 745 CD GLU A 92 27.495 47.715 15.028 1.00 0.00 ATOM 746 OE1 GLU A 92 26.581 47.074 15.490 1.00 0.00 ATOM 747 OE2 GLU A 92 27.975 48.671 15.591 1.00 0.00 ATOM 748 O GLU A 92 26.357 43.192 14.589 1.00 0.00 ATOM 749 C GLU A 92 27.447 43.420 14.098 1.00 0.00 ATOM 750 N ARG A 93 28.000 42.658 13.157 1.00 0.00 ATOM 751 CA ARG A 93 27.410 41.367 12.772 1.00 0.00 ATOM 752 CB ARG A 93 26.473 41.498 11.581 1.00 0.00 ATOM 753 CG ARG A 93 25.221 42.322 11.838 1.00 0.00 ATOM 754 CD ARG A 93 24.290 42.399 10.683 1.00 0.00 ATOM 755 NE ARG A 93 23.073 43.152 10.939 1.00 0.00 ATOM 756 CZ ARG A 93 22.075 43.317 10.050 1.00 0.00 ATOM 757 NH1 ARG A 93 22.157 42.817 8.837 1.00 0.00 ATOM 758 NH2 ARG A 93 21.017 44.016 10.421 1.00 0.00 ATOM 759 O ARG A 93 29.439 40.450 11.852 1.00 0.00 ATOM 760 C ARG A 93 28.411 40.238 12.497 1.00 0.00 ATOM 761 N LEU A 94 27.916 39.029 12.736 1.00 0.00 ATOM 762 CA LEU A 94 28.711 37.799 12.641 1.00 0.00 ATOM 763 CB LEU A 94 29.194 37.375 14.031 1.00 0.00 ATOM 764 CG LEU A 94 29.982 36.070 14.120 1.00 0.00 ATOM 765 CD1 LEU A 94 31.244 36.193 13.280 1.00 0.00 ATOM 766 CD2 LEU A 94 30.387 35.816 15.571 1.00 0.00 ATOM 767 O LEU A 94 26.767 36.378 12.571 1.00 0.00 ATOM 768 C LEU A 94 27.844 36.705 12.066 1.00 0.00 ATOM 769 N ASN A 95 28.246 36.321 10.887 1.00 0.00 ATOM 770 CA ASN A 95 27.514 35.257 10.197 1.00 0.00 ATOM 771 CB ASN A 95 26.831 35.932 9.030 1.00 0.00 ATOM 772 CG ASN A 95 27.790 36.470 7.983 1.00 0.00 ATOM 773 ND2 ASN A 95 27.611 37.739 7.747 1.00 0.00 ATOM 774 OD1 ASN A 95 28.632 35.817 7.404 1.00 0.00 ATOM 775 O ASN A 95 29.643 34.171 10.189 1.00 0.00 ATOM 776 C ASN A 95 28.449 34.075 9.879 1.00 0.00 ATOM 777 N PRO A 96 27.955 32.991 9.264 1.00 0.00 ATOM 778 CA PRO A 96 28.745 31.767 9.059 1.00 0.00 ATOM 779 CB PRO A 96 27.867 30.932 8.125 1.00 0.00 ATOM 780 CG PRO A 96 26.478 31.237 8.665 1.00 0.00 ATOM 781 CD PRO A 96 26.548 32.737 8.906 1.00 0.00 ATOM 782 O PRO A 96 31.122 31.759 9.414 1.00 0.00 ATOM 783 C PRO A 96 30.204 31.958 8.618 1.00 0.00 ATOM 784 N ASN A 97 30.426 32.540 7.442 1.00 0.00 ATOM 785 CA ASN A 97 31.800 32.735 6.927 1.00 0.00 ATOM 786 CB ASN A 97 31.991 32.056 5.584 1.00 0.00 ATOM 787 CG ASN A 97 30.956 32.435 4.560 1.00 0.00 ATOM 788 ND2 ASN A 97 30.308 31.438 4.016 1.00 0.00 ATOM 789 OD1 ASN A 97 30.697 33.620 4.320 1.00 0.00 ATOM 790 O ASN A 97 33.246 34.498 6.151 1.00 0.00 ATOM 791 C ASN A 97 32.231 34.205 6.787 1.00 0.00 ATOM 792 N SER A 98 31.545 35.097 7.487 1.00 0.00 ATOM 793 CA SER A 98 31.785 36.553 7.388 1.00 0.00 ATOM 794 CB SER A 98 31.049 37.113 6.152 1.00 0.00 ATOM 795 OG SER A 98 30.862 38.540 6.181 1.00 0.00 ATOM 796 O SER A 98 30.666 36.804 9.526 1.00 0.00 ATOM 797 C SER A 98 31.366 37.318 8.647 1.00 0.00 ATOM 798 N PHE A 99 31.864 38.537 8.718 1.00 0.00 ATOM 799 CA PHE A 99 31.442 39.525 9.720 1.00 0.00 ATOM 800 CB PHE A 99 32.322 39.419 10.971 1.00 0.00 ATOM 801 CG PHE A 99 33.806 39.584 10.642 1.00 0.00 ATOM 802 CD1 PHE A 99 34.351 40.860 10.574 1.00 0.00 ATOM 803 CD2 PHE A 99 34.595 38.470 10.415 1.00 0.00 ATOM 804 CE1 PHE A 99 35.694 41.011 10.279 1.00 0.00 ATOM 805 CE2 PHE A 99 35.937 38.632 10.119 1.00 0.00 ATOM 806 CZ PHE A 99 36.492 39.897 10.042 1.00 0.00 ATOM 807 O PHE A 99 31.936 41.200 8.024 1.00 0.00 ATOM 808 C PHE A 99 31.437 40.939 9.128 1.00 0.00 ATOM 809 N GLN A 100 30.675 41.786 9.795 1.00 0.00 ATOM 810 CA GLN A 100 30.587 43.215 9.449 1.00 0.00 ATOM 811 CB GLN A 100 29.130 43.619 9.206 1.00 0.00 ATOM 812 CG GLN A 100 28.497 42.966 7.988 1.00 0.00 ATOM 813 CD GLN A 100 27.053 43.381 7.793 1.00 0.00 ATOM 814 OE1 GLN A 100 26.531 44.227 8.527 1.00 0.00 ATOM 815 NE2 GLN A 100 26.395 42.787 6.806 1.00 0.00 ATOM 816 O GLN A 100 30.797 43.980 11.712 1.00 0.00 ATOM 817 C GLN A 100 31.185 44.067 10.548 1.00 0.00 ATOM 818 N VAL A 101 32.153 44.864 10.135 1.00 0.00 ATOM 819 CA VAL A 101 32.808 45.821 11.033 1.00 0.00 ATOM 820 CB VAL A 101 34.340 45.779 10.884 1.00 0.00 ATOM 821 CG1 VAL A 101 34.991 46.824 11.780 1.00 0.00 ATOM 822 CG2 VAL A 101 34.869 44.392 11.212 1.00 0.00 ATOM 823 O VAL A 101 32.213 47.651 9.568 1.00 0.00 ATOM 824 C VAL A 101 32.278 47.228 10.725 1.00 0.00 ATOM 825 N HIS A 102 31.970 47.911 11.811 1.00 0.00 ATOM 826 CA HIS A 102 31.655 49.353 11.793 1.00 0.00 ATOM 827 CB HIS A 102 30.328 49.625 12.510 1.00 0.00 ATOM 828 CG HIS A 102 29.931 51.069 12.510 1.00 0.00 ATOM 829 CD2 HIS A 102 29.950 51.999 13.495 1.00 0.00 ATOM 830 ND1 HIS A 102 29.442 51.706 11.389 1.00 0.00 ATOM 831 CE1 HIS A 102 29.176 52.968 11.685 1.00 0.00 ATOM 832 NE2 HIS A 102 29.476 53.170 12.954 1.00 0.00 ATOM 833 O HIS A 102 33.300 49.664 13.513 1.00 0.00 ATOM 834 C HIS A 102 32.830 50.069 12.456 1.00 0.00 ATOM 835 N PHE A 103 33.458 50.893 11.633 1.00 0.00 ATOM 836 CA PHE A 103 34.632 51.644 12.094 1.00 0.00 ATOM 837 CB PHE A 103 35.915 51.073 11.466 1.00 0.00 ATOM 838 CG PHE A 103 35.991 51.400 9.978 1.00 0.00 ATOM 839 CD1 PHE A 103 36.679 52.529 9.551 1.00 0.00 ATOM 840 CD2 PHE A 103 35.526 50.468 9.069 1.00 0.00 ATOM 841 CE1 PHE A 103 36.992 52.699 8.220 1.00 0.00 ATOM 842 CE2 PHE A 103 35.818 50.667 7.736 1.00 0.00 ATOM 843 CZ PHE A 103 36.608 51.730 7.316 1.00 0.00 ATOM 844 O PHE A 103 33.772 53.543 10.892 1.00 0.00 ATOM 845 C PHE A 103 34.500 53.132 11.805 1.00 0.00 ATOM 846 N GLU A 104 35.311 53.889 12.526 1.00 0.00 ATOM 847 CA GLU A 104 35.372 55.348 12.387 1.00 0.00 ATOM 848 CB GLU A 104 34.282 56.012 13.232 1.00 0.00 ATOM 849 CG GLU A 104 34.196 57.523 13.071 1.00 0.00 ATOM 850 CD GLU A 104 33.148 58.111 13.975 1.00 0.00 ATOM 851 OE1 GLU A 104 33.253 57.939 15.166 1.00 0.00 ATOM 852 OE2 GLU A 104 32.304 58.825 13.488 1.00 0.00 ATOM 853 O GLU A 104 37.503 55.166 13.525 1.00 0.00 ATOM 854 C GLU A 104 36.758 55.832 12.796 1.00 0.00 ATOM 855 N PHE A 105 37.145 56.947 12.194 1.00 0.00 ATOM 856 CA PHE A 105 38.385 57.597 12.600 1.00 0.00 ATOM 857 CB PHE A 105 39.468 57.378 11.551 1.00 0.00 ATOM 858 CG PHE A 105 39.159 57.948 10.176 1.00 0.00 ATOM 859 CD1 PHE A 105 39.727 59.157 9.881 1.00 0.00 ATOM 860 CD2 PHE A 105 38.459 57.297 9.197 1.00 0.00 ATOM 861 CE1 PHE A 105 39.601 59.767 8.655 1.00 0.00 ATOM 862 CE2 PHE A 105 38.365 57.877 7.943 1.00 0.00 ATOM 863 CZ PHE A 105 38.932 59.116 7.657 1.00 0.00 ATOM 864 O PHE A 105 37.465 59.824 12.359 1.00 0.00 ATOM 865 C PHE A 105 38.168 59.044 13.008 1.00 0.00 ATOM 866 N ARG A 106 38.690 59.306 14.201 1.00 0.00 ATOM 867 CA ARG A 106 38.525 60.622 14.846 1.00 0.00 ATOM 868 CB ARG A 106 37.869 60.512 16.214 1.00 0.00 ATOM 869 CG ARG A 106 36.492 59.867 16.214 1.00 0.00 ATOM 870 CD ARG A 106 35.843 59.810 17.549 1.00 0.00 ATOM 871 NE ARG A 106 34.518 59.211 17.549 1.00 0.00 ATOM 872 CZ ARG A 106 33.751 59.048 18.645 1.00 0.00 ATOM 873 NH1 ARG A 106 34.187 59.401 19.834 1.00 0.00 ATOM 874 NH2 ARG A 106 32.559 58.500 18.497 1.00 0.00 ATOM 875 O ARG A 106 40.898 60.734 15.196 1.00 0.00 ATOM 876 C ARG A 106 39.872 61.345 14.905 1.00 0.00 ATOM 877 N CYS A 107 39.762 62.646 14.682 1.00 0.00 ATOM 878 CA CYS A 107 40.904 63.571 14.685 1.00 0.00 ATOM 879 CB CYS A 107 41.140 64.289 13.355 1.00 0.00 ATOM 880 SG CYS A 107 42.801 65.045 13.530 1.00 0.00 ATOM 881 O CYS A 107 39.755 65.436 15.634 1.00 0.00 ATOM 882 C CYS A 107 40.705 64.658 15.746 1.00 0.00 ATOM 883 N GLU A 108 41.485 64.553 16.811 1.00 0.00 ATOM 884 CA GLU A 108 41.317 65.415 18.010 1.00 0.00 ATOM 885 CB GLU A 108 41.733 66.855 17.697 1.00 0.00 ATOM 886 CG GLU A 108 43.196 67.015 17.308 1.00 0.00 ATOM 887 CD GLU A 108 43.529 68.453 17.018 1.00 0.00 ATOM 888 OE1 GLU A 108 42.660 69.281 17.147 1.00 0.00 ATOM 889 OE2 GLU A 108 44.678 68.738 16.778 1.00 0.00 ATOM 890 O GLU A 108 39.134 66.387 18.560 1.00 0.00 ATOM 891 C GLU A 108 39.868 65.397 18.536 1.00 0.00 ATOM 892 N GLU A 109 39.413 64.145 18.598 1.00 0.00 ATOM 893 CA GLU A 109 38.071 63.747 19.030 1.00 0.00 ATOM 894 CB GLU A 109 37.810 64.215 20.464 1.00 0.00 ATOM 895 CG GLU A 109 38.751 63.622 21.501 1.00 0.00 ATOM 896 CD GLU A 109 38.416 64.106 22.883 1.00 0.00 ATOM 897 OE1 GLU A 109 37.517 64.903 23.012 1.00 0.00 ATOM 898 OE2 GLU A 109 38.979 63.596 23.823 1.00 0.00 ATOM 899 O GLU A 109 35.935 64.638 18.512 1.00 0.00 ATOM 900 C GLU A 109 37.010 64.307 18.088 1.00 0.00 ATOM 901 N GLN A 110 37.265 64.346 16.798 1.00 0.00 ATOM 902 CA GLN A 110 36.288 64.857 15.820 1.00 0.00 ATOM 903 CB GLN A 110 36.724 66.226 15.290 1.00 0.00 ATOM 904 CG GLN A 110 36.769 67.317 16.348 1.00 0.00 ATOM 905 CD GLN A 110 37.170 68.663 15.773 1.00 0.00 ATOM 906 OE1 GLN A 110 37.441 68.786 14.576 1.00 0.00 ATOM 907 NE2 GLN A 110 37.213 69.679 16.627 1.00 0.00 ATOM 908 O GLN A 110 37.129 63.294 14.246 1.00 0.00 ATOM 909 C GLN A 110 36.146 63.869 14.689 1.00 0.00 ATOM 910 N ILE A 111 34.912 63.737 14.228 1.00 0.00 ATOM 911 CA ILE A 111 34.658 62.805 13.118 1.00 0.00 ATOM 912 CB ILE A 111 33.152 62.673 12.826 1.00 0.00 ATOM 913 CG1 ILE A 111 32.427 62.059 14.026 1.00 0.00 ATOM 914 CG2 ILE A 111 32.925 61.835 11.577 1.00 0.00 ATOM 915 CD1 ILE A 111 30.920 62.096 13.913 1.00 0.00 ATOM 916 O ILE A 111 35.130 64.357 11.346 1.00 0.00 ATOM 917 C ILE A 111 35.379 63.260 11.861 1.00 0.00 ATOM 918 N ALA A 112 36.306 62.396 11.494 1.00 0.00 ATOM 919 CA ALA A 112 37.104 62.583 10.277 1.00 0.00 ATOM 920 CB ALA A 112 38.531 62.187 10.634 1.00 0.00 ATOM 921 O ALA A 112 36.150 62.388 8.100 1.00 0.00 ATOM 922 C ALA A 112 36.498 61.779 9.116 1.00 0.00 ATOM 923 N ALA A 113 36.142 60.526 9.395 1.00 0.00 ATOM 924 CA ALA A 113 35.302 59.684 8.524 1.00 0.00 ATOM 925 CB ALA A 113 35.950 59.511 7.140 1.00 0.00 ATOM 926 O ALA A 113 35.372 58.068 10.306 1.00 0.00 ATOM 927 C ALA A 113 34.950 58.342 9.184 1.00 0.00 ATOM 928 N HIS A 114 34.097 57.595 8.500 1.00 0.00 ATOM 929 CA HIS A 114 33.498 56.362 9.035 1.00 0.00 ATOM 930 CB HIS A 114 32.182 56.669 9.757 1.00 0.00 ATOM 931 CG HIS A 114 31.117 57.219 8.860 1.00 0.00 ATOM 932 CD2 HIS A 114 30.096 56.612 8.210 1.00 0.00 ATOM 933 ND1 HIS A 114 31.030 58.559 8.543 1.00 0.00 ATOM 934 CE1 HIS A 114 30.001 58.752 7.738 1.00 0.00 ATOM 935 NE2 HIS A 114 29.418 57.587 7.521 1.00 0.00 ATOM 936 O HIS A 114 33.023 55.758 6.754 1.00 0.00 ATOM 937 C HIS A 114 33.277 55.370 7.900 1.00 0.00 ATOM 938 N ALA A 115 33.287 54.101 8.277 1.00 0.00 ATOM 939 CA ALA A 115 32.990 53.071 7.289 1.00 0.00 ATOM 940 CB ALA A 115 34.137 52.966 6.300 1.00 0.00 ATOM 941 O ALA A 115 32.503 51.427 9.014 1.00 0.00 ATOM 942 C ALA A 115 32.536 51.712 7.815 1.00 0.00 ATOM 943 N LEU A 116 31.915 51.053 6.860 1.00 0.00 ATOM 944 CA LEU A 116 31.306 49.730 7.036 1.00 0.00 ATOM 945 CB LEU A 116 29.807 49.789 6.719 1.00 0.00 ATOM 946 CG LEU A 116 29.066 48.448 6.813 1.00 0.00 ATOM 947 CD1 LEU A 116 29.097 47.933 8.246 1.00 0.00 ATOM 948 CD2 LEU A 116 27.632 48.625 6.335 1.00 0.00 ATOM 949 O LEU A 116 32.161 48.941 4.919 1.00 0.00 ATOM 950 C LEU A 116 32.045 48.744 6.132 1.00 0.00 ATOM 951 N ILE A 117 32.642 47.771 6.801 1.00 0.00 ATOM 952 CA ILE A 117 33.421 46.713 6.131 1.00 0.00 ATOM 953 CB ILE A 117 34.883 46.583 6.632 1.00 0.00 ATOM 954 CG1 ILE A 117 35.683 47.826 6.277 1.00 0.00 ATOM 955 CG2 ILE A 117 35.596 45.422 5.940 1.00 0.00 ATOM 956 CD1 ILE A 117 37.080 47.898 6.919 1.00 0.00 ATOM 957 O ILE A 117 32.626 44.795 7.376 1.00 0.00 ATOM 958 C ILE A 117 32.715 45.356 6.283 1.00 0.00 ATOM 959 N ARG A 118 32.533 44.764 5.118 1.00 0.00 ATOM 960 CA ARG A 118 32.162 43.349 5.020 1.00 0.00 ATOM 961 CB ARG A 118 31.070 43.113 3.988 1.00 0.00 ATOM 962 CG ARG A 118 29.739 43.779 4.300 1.00 0.00 ATOM 963 CD ARG A 118 28.712 43.623 3.239 1.00 0.00 ATOM 964 NE ARG A 118 27.448 44.284 3.520 1.00 0.00 ATOM 965 CZ ARG A 118 26.371 44.256 2.712 1.00 0.00 ATOM 966 NH1 ARG A 118 26.410 43.633 1.554 1.00 0.00 ATOM 967 NH2 ARG A 118 25.280 44.891 3.100 1.00 0.00 ATOM 968 O ARG A 118 34.075 42.646 3.717 1.00 0.00 ATOM 969 C ARG A 118 33.415 42.507 4.748 1.00 0.00 ATOM 970 N HIS A 119 33.738 41.727 5.769 1.00 0.00 ATOM 971 CA HIS A 119 34.881 40.809 5.725 1.00 0.00 ATOM 972 CB HIS A 119 35.633 40.872 7.044 1.00 0.00 ATOM 973 CG HIS A 119 36.758 41.883 6.944 1.00 0.00 ATOM 974 CD2 HIS A 119 37.731 41.902 6.037 1.00 0.00 ATOM 975 ND1 HIS A 119 36.906 42.909 7.767 1.00 0.00 ATOM 976 CE1 HIS A 119 37.976 43.576 7.356 1.00 0.00 ATOM 977 NE2 HIS A 119 38.508 42.947 6.313 1.00 0.00 ATOM 978 O HIS A 119 33.518 38.954 6.297 1.00 0.00 ATOM 979 C HIS A 119 34.413 39.369 5.571 1.00 0.00 ATOM 980 N LEU A 120 35.130 38.616 4.768 1.00 0.00 ATOM 981 CA LEU A 120 34.833 37.180 4.603 1.00 0.00 ATOM 982 CB LEU A 120 34.453 36.883 3.148 1.00 0.00 ATOM 983 CG LEU A 120 32.948 36.877 2.853 1.00 0.00 ATOM 984 CD1 LEU A 120 32.381 38.281 3.003 1.00 0.00 ATOM 985 CD2 LEU A 120 32.707 36.344 1.448 1.00 0.00 ATOM 986 O LEU A 120 37.143 36.651 4.619 1.00 0.00 ATOM 987 C LEU A 120 36.039 36.360 5.041 1.00 0.00 ATOM 988 N ALA A 121 35.804 35.294 5.790 1.00 0.00 ATOM 989 CA ALA A 121 36.843 34.293 6.073 1.00 0.00 ATOM 990 CB ALA A 121 36.461 33.396 7.241 1.00 0.00 ATOM 991 O ALA A 121 36.069 32.953 4.218 1.00 0.00 ATOM 992 C ALA A 121 37.024 33.401 4.856 1.00 0.00 ATOM 993 N ILE A 122 38.289 33.219 4.516 1.00 0.00 ATOM 994 CA ILE A 122 38.635 32.403 3.356 1.00 0.00 ATOM 995 CB ILE A 122 39.042 33.275 2.154 1.00 0.00 ATOM 996 CG1 ILE A 122 40.243 34.154 2.513 1.00 0.00 ATOM 997 CG2 ILE A 122 37.870 34.131 1.697 1.00 0.00 ATOM 998 CD1 ILE A 122 41.579 33.499 2.246 1.00 0.00 ATOM 999 O ILE A 122 40.596 31.729 4.599 1.00 0.00 ATOM 1000 C ILE A 122 39.768 31.457 3.722 1.00 0.00 ATOM 1001 N ASN A 123 39.884 30.514 2.823 1.00 0.00 ATOM 1002 CA ASN A 123 41.111 29.749 2.809 1.00 0.00 ATOM 1003 CB ASN A 123 40.733 28.269 2.892 1.00 0.00 ATOM 1004 CG ASN A 123 39.990 27.612 1.750 1.00 0.00 ATOM 1005 ND2 ASN A 123 39.350 26.500 2.039 1.00 0.00 ATOM 1006 OD1 ASN A 123 39.941 28.117 0.651 1.00 0.00 ATOM 1007 O ASN A 123 41.540 30.758 0.659 1.00 0.00 ATOM 1008 C ASN A 123 42.011 30.313 1.698 1.00 0.00 ATOM 1009 N ALA A 124 43.154 30.802 2.175 1.00 0.00 ATOM 1010 CA ALA A 124 44.082 31.607 1.368 1.00 0.00 ATOM 1011 CB ALA A 124 45.224 31.969 2.299 1.00 0.00 ATOM 1012 O ALA A 124 44.779 31.648 -0.931 1.00 0.00 ATOM 1013 C ALA A 124 44.629 30.964 0.083 1.00 0.00 ATOM 1014 N GLN A 125 45.005 29.686 0.159 1.00 0.00 ATOM 1015 CA GLN A 125 45.520 28.936 -1.005 1.00 0.00 ATOM 1016 CB GLN A 125 45.856 27.497 -0.616 1.00 0.00 ATOM 1017 CG GLN A 125 46.491 26.681 -1.741 1.00 0.00 ATOM 1018 CD GLN A 125 47.856 27.240 -2.137 1.00 0.00 ATOM 1019 OE1 GLN A 125 48.693 27.681 -1.345 1.00 0.00 ATOM 1020 NE2 GLN A 125 48.049 27.328 -3.432 1.00 0.00 ATOM 1021 O GLN A 125 45.000 29.161 -3.322 1.00 0.00 ATOM 1022 C GLN A 125 44.550 28.931 -2.197 1.00 0.00 ATOM 1023 N THR A 126 43.260 28.730 -1.928 1.00 0.00 ATOM 1024 CA THR A 126 42.264 28.727 -3.022 1.00 0.00 ATOM 1025 CB THR A 126 41.340 27.490 -2.995 1.00 0.00 ATOM 1026 CG2 THR A 126 42.132 26.172 -2.986 1.00 0.00 ATOM 1027 OG1 THR A 126 40.470 27.546 -1.879 1.00 0.00 ATOM 1028 O THR A 126 40.724 30.281 -4.038 1.00 0.00 ATOM 1029 C THR A 126 41.434 30.012 -3.062 1.00 0.00 ATOM 1030 N ARG A 127 41.616 30.868 -2.055 1.00 0.00 ATOM 1031 CA ARG A 127 40.855 32.123 -1.860 1.00 0.00 ATOM 1032 CB ARG A 127 41.357 33.244 -2.757 1.00 0.00 ATOM 1033 CG ARG A 127 42.809 33.637 -2.539 1.00 0.00 ATOM 1034 CD ARG A 127 43.033 34.529 -1.370 1.00 0.00 ATOM 1035 NE ARG A 127 42.416 35.839 -1.486 1.00 0.00 ATOM 1036 CZ ARG A 127 42.293 36.720 -0.474 1.00 0.00 ATOM 1037 NH1 ARG A 127 42.705 36.420 0.738 1.00 0.00 ATOM 1038 NH2 ARG A 127 41.722 37.885 -0.724 1.00 0.00 ATOM 1039 O ARG A 127 38.629 32.744 -2.595 1.00 0.00 ATOM 1040 C ARG A 127 39.347 31.922 -2.033 1.00 0.00 ATOM 1041 N HIS A 128 38.932 30.891 -1.324 1.00 0.00 ATOM 1042 CA HIS A 128 37.554 30.419 -1.302 1.00 0.00 ATOM 1043 CB HIS A 128 37.462 28.990 -1.848 1.00 0.00 ATOM 1044 CG HIS A 128 36.070 28.437 -1.853 1.00 0.00 ATOM 1045 CD2 HIS A 128 35.499 27.452 -1.120 1.00 0.00 ATOM 1046 ND1 HIS A 128 35.084 28.910 -2.693 1.00 0.00 ATOM 1047 CE1 HIS A 128 33.966 28.239 -2.477 1.00 0.00 ATOM 1048 NE2 HIS A 128 34.192 27.349 -1.528 1.00 0.00 ATOM 1049 O HIS A 128 37.798 30.228 1.090 1.00 0.00 ATOM 1050 C HIS A 128 37.076 30.518 0.142 1.00 0.00 ATOM 1051 N ARG A 129 35.899 31.107 0.275 1.00 0.00 ATOM 1052 CA ARG A 129 35.282 31.329 1.598 1.00 0.00 ATOM 1053 CB ARG A 129 33.883 31.915 1.490 1.00 0.00 ATOM 1054 CG ARG A 129 32.840 30.977 0.903 1.00 0.00 ATOM 1055 CD ARG A 129 31.529 31.616 0.625 1.00 0.00 ATOM 1056 NE ARG A 129 30.502 30.703 0.150 1.00 0.00 ATOM 1057 CZ ARG A 129 30.395 30.265 -1.121 1.00 0.00 ATOM 1058 NH1 ARG A 129 31.225 30.681 -2.052 1.00 0.00 ATOM 1059 NH2 ARG A 129 29.419 29.423 -1.411 1.00 0.00 ATOM 1060 O ARG A 129 35.069 28.951 1.956 1.00 0.00 ATOM 1061 C ARG A 129 35.279 30.062 2.446 1.00 0.00 ATOM 1062 N CYS A 130 35.396 30.276 3.738 1.00 0.00 ATOM 1063 CA CYS A 130 35.302 29.171 4.707 1.00 0.00 ATOM 1064 CB CYS A 130 36.680 28.559 4.957 1.00 0.00 ATOM 1065 SG CYS A 130 36.471 27.020 5.911 1.00 0.00 ATOM 1066 O CYS A 130 34.776 30.894 6.273 1.00 0.00 ATOM 1067 C CYS A 130 34.688 29.702 5.992 1.00 0.00 ATOM 1068 N ALA A 131 33.969 28.830 6.681 1.00 0.00 ATOM 1069 CA ALA A 131 33.310 29.268 7.926 1.00 0.00 ATOM 1070 CB ALA A 131 32.492 28.161 8.546 1.00 0.00 ATOM 1071 O ALA A 131 35.468 29.286 9.019 1.00 0.00 ATOM 1072 C ALA A 131 34.344 29.790 8.937 1.00 0.00 ATOM 1073 N LEU A 132 33.947 30.897 9.555 1.00 0.00 ATOM 1074 CA LEU A 132 34.775 31.564 10.572 1.00 0.00 ATOM 1075 CB LEU A 132 34.025 32.750 11.179 1.00 0.00 ATOM 1076 CG LEU A 132 34.053 33.966 10.265 1.00 0.00 ATOM 1077 CD1 LEU A 132 33.025 34.970 10.753 1.00 0.00 ATOM 1078 CD2 LEU A 132 35.422 34.658 10.316 1.00 0.00 ATOM 1079 O LEU A 132 34.357 29.724 12.054 1.00 0.00 ATOM 1080 C LEU A 132 35.162 30.568 11.661 1.00 0.00 ATOM 1081 N PRO A 133 36.461 30.465 11.963 1.00 0.00 ATOM 1082 CA PRO A 133 36.931 29.509 12.976 1.00 0.00 ATOM 1083 CB PRO A 133 38.404 29.830 13.165 1.00 0.00 ATOM 1084 CG PRO A 133 38.781 30.309 11.768 1.00 0.00 ATOM 1085 CD PRO A 133 37.586 31.140 11.311 1.00 0.00 ATOM 1086 O PRO A 133 35.939 30.931 14.648 1.00 0.00 ATOM 1087 C PRO A 133 36.165 29.785 14.261 1.00 0.00 ATOM 1088 N GLU A 134 35.912 28.708 14.979 1.00 0.00 ATOM 1089 CA GLU A 134 35.084 28.830 16.196 1.00 0.00 ATOM 1090 CB GLU A 134 34.840 27.458 16.743 1.00 0.00 ATOM 1091 CG GLU A 134 33.975 27.419 17.991 1.00 0.00 ATOM 1092 CD GLU A 134 33.895 25.990 18.468 1.00 0.00 ATOM 1093 OE1 GLU A 134 34.417 25.027 17.872 1.00 0.00 ATOM 1094 OE2 GLU A 134 33.236 25.861 19.479 1.00 0.00 ATOM 1095 O GLU A 134 35.092 30.455 17.973 1.00 0.00 ATOM 1096 C GLU A 134 35.744 29.703 17.256 1.00 0.00 ATOM 1097 N GLY A 135 37.067 29.642 17.267 1.00 0.00 ATOM 1098 CA GLY A 135 37.846 30.494 18.176 1.00 0.00 ATOM 1099 O GLY A 135 37.278 32.661 18.905 1.00 0.00 ATOM 1100 C GLY A 135 37.629 31.983 17.951 1.00 0.00 ATOM 1101 N ILE A 136 37.642 32.385 16.678 1.00 0.00 ATOM 1102 CA ILE A 136 37.307 33.774 16.291 1.00 0.00 ATOM 1103 CB ILE A 136 37.420 33.979 14.769 1.00 0.00 ATOM 1104 CG1 ILE A 136 38.890 33.989 14.339 1.00 0.00 ATOM 1105 CG2 ILE A 136 36.733 35.271 14.354 1.00 0.00 ATOM 1106 CD1 ILE A 136 39.087 34.075 12.842 1.00 0.00 ATOM 1107 O ILE A 136 35.706 35.219 17.327 1.00 0.00 ATOM 1108 C ILE A 136 35.890 34.146 16.746 1.00 0.00 ATOM 1109 N ASP A 137 34.951 33.238 16.473 1.00 0.00 ATOM 1110 CA ASP A 137 33.525 33.465 16.783 1.00 0.00 ATOM 1111 CB ASP A 137 32.674 32.301 16.272 1.00 0.00 ATOM 1112 CG ASP A 137 32.510 32.258 14.758 1.00 0.00 ATOM 1113 OD1 ASP A 137 32.842 33.226 14.117 1.00 0.00 ATOM 1114 OD2 ASP A 137 32.205 31.209 14.244 1.00 0.00 ATOM 1115 O ASP A 137 32.776 34.662 18.743 1.00 0.00 ATOM 1116 C ASP A 137 33.312 33.654 18.289 1.00 0.00 ATOM 1117 N ARG A 138 34.020 32.828 19.041 1.00 0.00 ATOM 1118 CA ARG A 138 34.023 32.882 20.522 1.00 0.00 ATOM 1119 CB ARG A 138 34.616 31.626 21.142 1.00 0.00 ATOM 1120 CG ARG A 138 33.773 30.371 20.975 1.00 0.00 ATOM 1121 CD ARG A 138 34.344 29.160 21.617 1.00 0.00 ATOM 1122 NE ARG A 138 33.573 27.945 21.403 1.00 0.00 ATOM 1123 CZ ARG A 138 32.470 27.606 22.099 1.00 0.00 ATOM 1124 NH1 ARG A 138 32.025 28.366 23.076 1.00 0.00 ATOM 1125 NH2 ARG A 138 31.859 26.476 21.789 1.00 0.00 ATOM 1126 O ARG A 138 34.268 34.747 22.025 1.00 0.00 ATOM 1127 C ARG A 138 34.727 34.140 21.064 1.00 0.00 ATOM 1128 N TRP A 139 35.820 34.524 20.409 1.00 0.00 ATOM 1129 CA TRP A 139 36.574 35.739 20.774 1.00 0.00 ATOM 1130 CB TRP A 139 37.874 35.864 19.967 1.00 0.00 ATOM 1131 CG TRP A 139 38.947 34.847 20.372 1.00 0.00 ATOM 1132 CD1 TRP A 139 39.556 33.971 19.587 1.00 0.00 ATOM 1133 CD2 TRP A 139 39.479 34.661 21.638 1.00 0.00 ATOM 1134 CE2 TRP A 139 40.399 33.635 21.534 1.00 0.00 ATOM 1135 CE3 TRP A 139 39.267 35.302 22.840 1.00 0.00 ATOM 1136 NE1 TRP A 139 40.426 33.237 20.275 1.00 0.00 ATOM 1137 CZ2 TRP A 139 41.117 33.220 22.645 1.00 0.00 ATOM 1138 CZ3 TRP A 139 39.986 34.896 23.932 1.00 0.00 ATOM 1139 CH2 TRP A 139 40.905 33.880 23.838 1.00 0.00 ATOM 1140 O TRP A 139 35.719 37.886 21.479 1.00 0.00 ATOM 1141 C TRP A 139 35.731 37.019 20.603 1.00 0.00 ATOM 1142 N LEU A 140 34.944 37.054 19.529 1.00 0.00 ATOM 1143 CA LEU A 140 34.021 38.168 19.240 1.00 0.00 ATOM 1144 CB LEU A 140 33.356 38.007 17.867 1.00 0.00 ATOM 1145 CG LEU A 140 34.351 38.182 16.711 1.00 0.00 ATOM 1146 CD1 LEU A 140 33.681 37.771 15.396 1.00 0.00 ATOM 1147 CD2 LEU A 140 34.802 39.633 16.603 1.00 0.00 ATOM 1148 O LEU A 140 32.432 39.421 20.563 1.00 0.00 ATOM 1149 C LEU A 140 32.911 38.327 20.279 1.00 0.00 ATOM 1150 N GLU A 141 32.534 37.222 20.891 1.00 0.00 ATOM 1151 CA GLU A 141 31.518 37.234 21.950 1.00 0.00 ATOM 1152 CB GLU A 141 31.269 35.799 22.418 1.00 0.00 ATOM 1153 CG GLU A 141 30.610 34.907 21.368 1.00 0.00 ATOM 1154 CD GLU A 141 30.139 33.579 21.973 1.00 0.00 ATOM 1155 OE1 GLU A 141 30.575 33.207 23.098 1.00 0.00 ATOM 1156 OE2 GLU A 141 29.324 32.924 21.277 1.00 0.00 ATOM 1157 O GLU A 141 31.257 38.997 23.609 1.00 0.00 ATOM 1158 C GLU A 141 31.950 38.075 23.171 1.00 0.00 ATOM 1159 N ALA A 142 33.189 37.844 23.583 1.00 0.00 ATOM 1160 CA ALA A 142 33.788 38.596 24.705 1.00 0.00 ATOM 1161 CB ALA A 142 35.175 38.035 24.963 1.00 0.00 ATOM 1162 O ALA A 142 33.644 40.922 25.302 1.00 0.00 ATOM 1163 C ALA A 142 33.865 40.102 24.425 1.00 0.00 ATOM 1164 N SER A 143 34.079 40.440 23.154 1.00 0.00 ATOM 1165 CA SER A 143 34.179 41.840 22.689 1.00 0.00 ATOM 1166 CB SER A 143 34.611 41.878 21.236 1.00 0.00 ATOM 1167 OG SER A 143 33.562 41.548 20.367 1.00 0.00 ATOM 1168 O SER A 143 32.879 43.861 22.974 1.00 0.00 ATOM 1169 C SER A 143 32.874 42.627 22.849 1.00 0.00 ATOM 1170 N GLY A 144 31.787 41.853 22.854 1.00 0.00 ATOM 1171 CA GLY A 144 30.413 42.345 22.959 1.00 0.00 ATOM 1172 O GLY A 144 28.472 41.147 23.653 1.00 0.00 ATOM 1173 C GLY A 144 29.585 41.560 23.969 1.00 0.00 ATOM 1174 N VAL A 145 29.966 41.700 25.238 1.00 0.00 ATOM 1175 CA VAL A 145 29.199 41.059 26.328 1.00 0.00 ATOM 1176 CB VAL A 145 29.971 41.133 27.649 1.00 0.00 ATOM 1177 CG1 VAL A 145 29.157 40.582 28.804 1.00 0.00 ATOM 1178 CG2 VAL A 145 31.205 40.236 27.568 1.00 0.00 ATOM 1179 O VAL A 145 27.648 42.913 26.305 1.00 0.00 ATOM 1180 C VAL A 145 27.810 41.701 26.438 1.00 0.00 ATOM 1181 N GLY A 146 26.825 40.812 26.472 1.00 0.00 ATOM 1182 CA GLY A 146 25.414 41.214 26.597 1.00 0.00 ATOM 1183 O GLY A 146 23.478 41.556 25.254 1.00 0.00 ATOM 1184 C GLY A 146 24.705 41.382 25.273 1.00 0.00 ATOM 1185 N LYS A 147 25.517 41.697 24.275 1.00 0.00 ATOM 1186 CA LYS A 147 24.990 42.112 22.982 1.00 0.00 ATOM 1187 CB LYS A 147 25.233 43.606 22.761 1.00 0.00 ATOM 1188 CG LYS A 147 24.426 44.518 23.675 1.00 0.00 ATOM 1189 CD LYS A 147 24.734 45.984 23.407 1.00 0.00 ATOM 1190 CE LYS A 147 24.062 46.888 24.430 1.00 0.00 ATOM 1191 NZ LYS A 147 24.379 48.323 24.197 1.00 0.00 ATOM 1192 O LYS A 147 25.456 41.546 20.670 1.00 0.00 ATOM 1193 C LYS A 147 25.645 41.268 21.849 1.00 0.00 ATOM 1194 N ILE A 148 26.055 40.040 22.217 1.00 0.00 ATOM 1195 CA ILE A 148 26.724 39.032 21.348 1.00 0.00 ATOM 1196 CB ILE A 148 27.193 37.790 22.139 1.00 0.00 ATOM 1197 CG1 ILE A 148 28.292 38.173 23.117 1.00 0.00 ATOM 1198 CG2 ILE A 148 27.676 36.646 21.226 1.00 0.00 ATOM 1199 CD1 ILE A 148 28.547 37.060 24.124 1.00 0.00 ATOM 1200 O ILE A 148 26.169 38.427 19.062 1.00 0.00 ATOM 1201 C ILE A 148 25.794 38.571 20.221 1.00 0.00 ATOM 1202 N GLY A 149 24.570 38.275 20.617 1.00 0.00 ATOM 1203 CA GLY A 149 23.552 37.766 19.686 1.00 0.00 ATOM 1204 O GLY A 149 22.694 38.286 17.533 1.00 0.00 ATOM 1205 C GLY A 149 23.335 38.695 18.486 1.00 0.00 ATOM 1206 N SER A 150 23.606 39.978 18.644 1.00 0.00 ATOM 1207 CA SER A 150 23.393 40.930 17.534 1.00 0.00 ATOM 1208 CB SER A 150 22.544 42.096 18.002 1.00 0.00 ATOM 1209 OG SER A 150 21.270 41.687 18.416 1.00 0.00 ATOM 1210 O SER A 150 24.671 42.585 16.391 1.00 0.00 ATOM 1211 C SER A 150 24.669 41.480 16.914 1.00 0.00 ATOM 1212 N ILE A 151 25.703 40.652 16.981 1.00 0.00 ATOM 1213 CA ILE A 151 27.032 40.987 16.460 1.00 0.00 ATOM 1214 CB ILE A 151 28.035 41.380 17.563 1.00 0.00 ATOM 1215 CG1 ILE A 151 28.366 40.197 18.486 1.00 0.00 ATOM 1216 CG2 ILE A 151 27.517 42.599 18.322 1.00 0.00 ATOM 1217 CD1 ILE A 151 29.382 40.451 19.603 1.00 0.00 ATOM 1218 O ILE A 151 26.853 38.828 15.420 1.00 0.00 ATOM 1219 C ILE A 151 27.592 39.818 15.641 1.00 0.00 ENDMDL EXPDTA 2hx5A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hx5A ATOM 1 N MET 1 38.682 41.215 31.329 1.00 0.00 ATOM 2 CA MET 1 39.000 42.169 30.211 1.00 0.00 ATOM 3 CB MET 1 40.315 41.880 29.402 1.00 0.00 ATOM 4 CG MET 1 40.853 43.043 28.509 1.00 0.00 ATOM 5 SD MET 1 42.253 42.566 27.115 1.00 0.00 ATOM 6 CE MET 1 43.867 43.256 28.068 1.00 0.00 ATOM 7 O MET 1 36.927 42.653 29.045 1.00 0.00 ATOM 8 C MET 1 37.920 43.133 29.607 1.00 0.00 ATOM 9 N ASN 2 38.086 44.447 29.778 1.00 0.00 ATOM 10 CA ASN 2 37.156 45.440 29.212 1.00 0.00 ATOM 11 CB ASN 2 37.358 46.785 29.903 1.00 0.00 ATOM 12 CG ASN 2 36.672 47.940 29.182 1.00 0.00 ATOM 13 ND2 ASN 2 37.031 49.163 29.508 1.00 0.00 ATOM 14 OD1 ASN 2 35.791 47.708 28.349 1.00 0.00 ATOM 15 O ASN 2 38.560 45.836 27.318 1.00 0.00 ATOM 16 C ASN 2 37.418 45.582 27.697 1.00 0.00 ATOM 17 N PRO 3 36.384 45.378 26.844 1.00 0.00 ATOM 18 CA PRO 3 36.535 45.491 25.369 1.00 0.00 ATOM 19 CB PRO 3 35.104 45.311 24.821 1.00 0.00 ATOM 20 CG PRO 3 34.195 45.204 26.026 1.00 0.00 ATOM 21 CD PRO 3 35.038 44.904 27.216 1.00 0.00 ATOM 22 O PRO 3 37.717 46.808 23.770 1.00 0.00 ATOM 23 C PRO 3 37.133 46.791 24.845 1.00 0.00 ATOM 24 N GLU 4 37.002 47.886 25.560 1.00 0.00 ATOM 25 CA GLU 4 37.686 49.114 25.151 1.00 0.00 ATOM 26 CB GLU 4 37.500 50.214 26.195 1.00 0.00 ATOM 27 CG GLU 4 36.078 50.629 26.419 1.00 0.00 ATOM 28 CD GLU 4 35.953 51.628 27.572 1.00 0.00 ATOM 29 OE1 GLU 4 36.971 52.290 27.909 1.00 0.00 ATOM 30 OE2 GLU 4 34.836 51.738 28.134 1.00 0.00 ATOM 31 O GLU 4 39.837 49.568 24.192 1.00 0.00 ATOM 32 C GLU 4 39.187 48.891 24.989 1.00 0.00 ATOM 33 N ASN 5 39.742 47.945 25.742 1.00 0.00 ATOM 34 CA ASN 5 41.145 47.633 25.668 1.00 0.00 ATOM 35 CB ASN 5 41.525 46.524 26.654 1.00 0.00 ATOM 36 CG ASN 5 41.507 46.979 28.089 1.00 0.00 ATOM 37 ND2 ASN 5 41.495 48.282 28.302 1.00 0.00 ATOM 38 OD1 ASN 5 41.509 46.155 29.001 1.00 0.00 ATOM 39 O ASN 5 42.678 47.463 23.823 1.00 0.00 ATOM 40 C ASN 5 41.532 47.202 24.252 1.00 0.00 ATOM 41 N TRP 6 40.613 46.550 23.524 1.00 0.00 ATOM 42 CA TRP 6 40.960 46.153 22.159 1.00 0.00 ATOM 43 CB TRP 6 40.887 44.629 21.958 1.00 0.00 ATOM 44 CG TRP 6 39.520 43.993 22.145 1.00 0.00 ATOM 45 CD1 TRP 6 38.553 43.852 21.178 1.00 0.00 ATOM 46 CD2 TRP 6 38.993 43.379 23.308 1.00 0.00 ATOM 47 CE2 TRP 6 37.686 42.916 22.992 1.00 0.00 ATOM 48 CE3 TRP 6 39.472 43.198 24.605 1.00 0.00 ATOM 49 NE1 TRP 6 37.468 43.215 21.668 1.00 0.00 ATOM 50 CZ2 TRP 6 36.884 42.257 23.914 1.00 0.00 ATOM 51 CZ3 TRP 6 38.683 42.542 25.500 1.00 0.00 ATOM 52 CH2 TRP 6 37.405 42.093 25.167 1.00 0.00 ATOM 53 O TRP 6 40.494 46.673 19.862 1.00 0.00 ATOM 54 C TRP 6 40.159 46.844 21.037 1.00 0.00 ATOM 55 N LEU 7 39.132 47.616 21.406 1.00 0.00 ATOM 56 CA LEU 7 38.290 48.356 20.425 1.00 0.00 ATOM 57 CB LEU 7 36.805 48.113 20.711 1.00 0.00 ATOM 58 CG LEU 7 36.303 46.671 20.640 1.00 0.00 ATOM 59 CD1 LEU 7 34.798 46.584 21.052 1.00 0.00 ATOM 60 CD2 LEU 7 36.503 46.047 19.289 1.00 0.00 ATOM 61 O LEU 7 38.080 50.489 19.400 1.00 0.00 ATOM 62 C LEU 7 38.548 49.844 20.338 1.00 0.00 ATOM 63 N LEU 8 39.252 50.390 21.323 1.00 0.00 ATOM 64 CA LEU 8 39.647 51.794 21.328 1.00 0.00 ATOM 65 CB LEU 8 39.259 52.522 22.626 1.00 0.00 ATOM 66 CG LEU 8 37.785 52.549 22.970 1.00 0.00 ATOM 67 CD1 LEU 8 37.524 53.348 24.295 1.00 0.00 ATOM 68 CD2 LEU 8 37.003 53.173 21.828 1.00 0.00 ATOM 69 O LEU 8 41.901 51.440 22.036 1.00 0.00 ATOM 70 C LEU 8 41.137 51.851 21.143 1.00 0.00 ATOM 71 N LEU 9 41.570 52.334 19.996 1.00 0.00 ATOM 72 CA LEU 9 42.954 52.277 19.639 1.00 0.00 ATOM 73 CB LEU 9 43.166 51.244 18.510 1.00 0.00 ATOM 74 CG LEU 9 42.708 49.804 18.869 1.00 0.00 ATOM 75 CD1 LEU 9 42.671 48.891 17.651 1.00 0.00 ATOM 76 CD2 LEU 9 43.595 49.202 19.996 1.00 0.00 ATOM 77 O LEU 9 42.572 54.612 19.186 1.00 0.00 ATOM 78 C LEU 9 43.388 53.684 19.247 1.00 0.00 ATOM 79 N ARG 10 44.684 53.880 19.058 1.00 0.00 ATOM 80 CA ARG 10 45.230 55.182 18.775 1.00 0.00 ATOM 81 CB ARG 10 45.854 55.785 20.029 1.00 0.00 ATOM 82 CG ARG 10 46.607 57.107 19.800 1.00 0.00 ATOM 83 CD ARG 10 47.114 57.650 21.157 1.00 0.00 ATOM 84 NE ARG 10 47.841 58.922 21.052 1.00 0.00 ATOM 85 CZ ARG 10 49.092 59.061 20.606 1.00 0.00 ATOM 86 NH1 ARG 10 49.805 58.006 20.196 1.00 0.00 ATOM 87 NH2 ARG 10 49.643 60.277 20.576 1.00 0.00 ATOM 88 O ARG 10 47.050 54.103 17.656 1.00 0.00 ATOM 89 C ARG 10 46.310 55.086 17.717 1.00 0.00 ATOM 90 N ARG 11 46.371 56.093 16.868 1.00 0.00 ATOM 91 CA ARG 11 47.546 56.243 16.016 1.00 0.00 ATOM 92 CB ARG 11 47.463 55.390 14.760 1.00 0.00 ATOM 93 CG ARG 11 46.523 55.912 13.689 1.00 0.00 ATOM 94 CD ARG 11 46.520 54.980 12.459 1.00 0.00 ATOM 95 NE ARG 11 47.794 54.879 11.762 1.00 0.00 ATOM 96 CZ ARG 11 48.424 53.730 11.388 1.00 0.00 ATOM 97 NH1 ARG 11 48.003 52.506 11.664 1.00 0.00 ATOM 98 NH2 ARG 11 49.520 53.848 10.683 1.00 0.00 ATOM 99 O ARG 11 46.931 58.567 15.697 1.00 0.00 ATOM 100 C ARG 11 47.794 57.692 15.647 1.00 0.00 ATOM 101 N VAL 12 49.031 57.913 15.244 1.00 0.00 ATOM 102 CA VAL 12 49.496 59.232 14.861 1.00 0.00 ATOM 103 CB VAL 12 50.793 59.668 15.613 1.00 0.00 ATOM 104 CG1 VAL 12 51.175 61.087 15.248 1.00 0.00 ATOM 105 CG2 VAL 12 50.588 59.454 17.149 1.00 0.00 ATOM 106 O VAL 12 50.429 58.279 12.813 1.00 0.00 ATOM 107 C VAL 12 49.772 59.203 13.349 1.00 0.00 ATOM 108 N VAL 13 49.221 60.208 12.670 1.00 0.00 ATOM 109 CA VAL 13 49.373 60.395 11.235 1.00 0.00 ATOM 110 CB VAL 13 48.426 61.502 10.687 1.00 0.00 ATOM 111 CG1 VAL 13 48.588 61.649 9.191 1.00 0.00 ATOM 112 CG2 VAL 13 46.947 61.206 11.091 1.00 0.00 ATOM 113 O VAL 13 51.406 61.653 11.576 1.00 0.00 ATOM 114 C VAL 13 50.860 60.769 10.946 1.00 0.00 ATOM 115 N ARG 14 51.512 60.070 10.008 1.00 0.00 ATOM 116 CA ARG 14 52.912 60.312 9.715 1.00 0.00 ATOM 117 CB ARG 14 53.671 58.996 9.762 1.00 0.00 ATOM 118 CG ARG 14 53.647 58.339 11.151 1.00 0.00 ATOM 119 CD ARG 14 54.261 59.179 12.219 1.00 0.00 ATOM 120 NE ARG 14 54.282 58.527 13.564 1.00 0.00 ATOM 121 CZ ARG 14 54.435 59.195 14.700 1.00 0.00 ATOM 122 NH1 ARG 14 54.653 60.497 14.759 1.00 0.00 ATOM 123 NH2 ARG 14 54.431 58.532 15.831 1.00 0.00 ATOM 124 O ARG 14 52.108 61.042 7.539 1.00 0.00 ATOM 125 C ARG 14 53.067 61.002 8.350 1.00 0.00 ATOM 126 N PHE 15 54.235 61.584 8.153 1.00 0.00 ATOM 127 CA PHE 15 54.484 62.490 7.039 1.00 0.00 ATOM 128 CB PHE 15 55.900 63.002 7.101 1.00 0.00 ATOM 129 CG PHE 15 56.211 64.000 6.097 1.00 0.00 ATOM 130 CD1 PHE 15 55.516 65.204 6.080 1.00 0.00 ATOM 131 CD2 PHE 15 57.208 63.803 5.211 1.00 0.00 ATOM 132 CE1 PHE 15 55.825 66.149 5.138 1.00 0.00 ATOM 133 CE2 PHE 15 57.538 64.800 4.277 1.00 0.00 ATOM 134 CZ PHE 15 56.847 65.919 4.263 1.00 0.00 ATOM 135 O PHE 15 53.599 62.345 4.769 1.00 0.00 ATOM 136 C PHE 15 54.215 61.779 5.689 1.00 0.00 ATOM 137 N GLY 16 54.678 60.539 5.529 1.00 0.00 ATOM 138 CA GLY 16 54.489 59.757 4.304 1.00 0.00 ATOM 139 O GLY 16 52.777 58.906 2.884 1.00 0.00 ATOM 140 C GLY 16 53.057 59.385 4.004 1.00 0.00 ATOM 141 N ASP 17 52.155 59.575 4.979 1.00 0.00 ATOM 142 CA ASP 17 50.741 59.313 4.779 1.00 0.00 ATOM 143 CB ASP 17 50.045 59.105 6.108 1.00 0.00 ATOM 144 CG ASP 17 50.610 57.941 6.908 1.00 0.00 ATOM 145 OD1 ASP 17 51.244 57.030 6.280 1.00 0.00 ATOM 146 OD2 ASP 17 50.504 57.986 8.181 1.00 0.00 ATOM 147 O ASP 17 48.822 60.333 3.755 1.00 0.00 ATOM 148 C ASP 17 50.038 60.476 4.076 1.00 0.00 ATOM 149 N THR 18 50.707 61.599 3.872 1.00 0.00 ATOM 150 CA THR 18 50.141 62.834 3.326 1.00 0.00 ATOM 151 CB THR 18 50.643 64.081 4.084 1.00 0.00 ATOM 152 CG2 THR 18 50.244 64.004 5.506 1.00 0.00 ATOM 153 OG1 THR 18 52.051 64.261 3.826 1.00 0.00 ATOM 154 O THR 18 51.439 62.315 1.389 1.00 0.00 ATOM 155 C THR 18 50.526 62.988 1.879 1.00 0.00 ATOM 156 N ASP 19 49.757 63.786 1.134 1.00 0.00 ATOM 157 CA ASP 19 50.113 64.109 -0.232 1.00 0.00 ATOM 158 CB ASP 19 49.035 63.607 -1.231 1.00 0.00 ATOM 159 CG ASP 19 47.676 64.195 -0.960 1.00 0.00 ATOM 160 OD1 ASP 19 47.564 65.361 -0.528 1.00 0.00 ATOM 161 OD2 ASP 19 46.689 63.453 -1.182 1.00 0.00 ATOM 162 O ASP 19 50.366 66.333 0.609 1.00 0.00 ATOM 163 C ASP 19 50.372 65.606 -0.369 1.00 0.00 ATOM 164 N ALA 20 50.652 66.063 -1.592 1.00 0.00 ATOM 165 CA ALA 20 51.040 67.437 -1.811 1.00 0.00 ATOM 166 CB ALA 20 51.606 67.620 -3.217 1.00 0.00 ATOM 167 O ALA 20 50.128 69.540 -1.600 1.00 0.00 ATOM 168 C ALA 20 49.870 68.369 -1.600 1.00 0.00 ATOM 169 N ALA 21 48.645 67.878 -1.364 1.00 0.00 ATOM 170 CA ALA 21 47.512 68.750 -0.955 1.00 0.00 ATOM 171 CB ALA 21 46.151 68.097 -1.216 1.00 0.00 ATOM 172 O ALA 21 46.973 70.045 0.976 1.00 0.00 ATOM 173 C ALA 21 47.661 69.153 0.523 1.00 0.00 ATOM 174 N GLY 22 48.612 68.555 1.238 1.00 0.00 ATOM 175 CA GLY 22 48.932 68.902 2.631 1.00 0.00 ATOM 176 O GLY 22 48.029 68.576 4.814 1.00 0.00 ATOM 177 C GLY 22 48.096 68.153 3.655 1.00 0.00 ATOM 178 N VAL 23 47.460 67.038 3.264 1.00 0.00 ATOM 179 CA VAL 23 46.549 66.260 4.091 1.00 0.00 ATOM 180 CB VAL 23 45.083 66.649 3.871 1.00 0.00 ATOM 181 CG1 VAL 23 44.804 68.067 4.436 1.00 0.00 ATOM 182 CG2 VAL 23 44.732 66.522 2.433 1.00 0.00 ATOM 183 O VAL 23 47.339 64.415 2.767 1.00 0.00 ATOM 184 C VAL 23 46.694 64.763 3.754 1.00 0.00 ATOM 185 N MET 24 46.114 63.888 4.562 1.00 0.00 ATOM 186 CA MET 24 46.200 62.443 4.374 1.00 0.00 ATOM 187 CB MET 24 45.323 61.740 5.393 1.00 0.00 ATOM 188 CG MET 24 45.358 60.238 5.315 1.00 0.00 ATOM 189 SD MET 24 43.754 59.438 6.143 1.00 0.00 ATOM 190 CE MET 24 42.389 60.044 4.881 1.00 0.00 ATOM 191 O MET 24 44.712 62.579 2.520 1.00 0.00 ATOM 192 C MET 24 45.753 62.076 2.971 1.00 0.00 ATOM 193 N HIS 25 46.503 61.215 2.291 1.00 0.00 ATOM 194 CA HIS 25 46.051 60.693 1.038 1.00 0.00 ATOM 195 CB HIS 25 47.205 60.127 0.275 1.00 0.00 ATOM 196 CG HIS 25 46.871 59.840 -1.144 1.00 0.00 ATOM 197 CD2 HIS 25 46.775 58.665 -1.800 1.00 0.00 ATOM 198 ND1 HIS 25 46.500 60.806 -2.039 1.00 0.00 ATOM 199 CE1 HIS 25 46.209 60.225 -3.206 1.00 0.00 ATOM 200 NE2 HIS 25 46.354 58.935 -3.081 1.00 0.00 ATOM 201 O HIS 25 45.117 58.748 2.137 1.00 0.00 ATOM 202 C HIS 25 44.991 59.617 1.288 1.00 0.00 ATOM 203 N PHE 26 43.880 59.703 0.556 1.00 0.00 ATOM 204 CA PHE 26 42.639 59.036 0.953 1.00 0.00 ATOM 205 CB PHE 26 41.483 59.272 -0.091 1.00 0.00 ATOM 206 CG PHE 26 41.598 58.469 -1.345 1.00 0.00 ATOM 207 CD1 PHE 26 42.640 58.601 -2.252 1.00 0.00 ATOM 208 CD2 PHE 26 40.669 57.487 -1.583 1.00 0.00 ATOM 209 CE1 PHE 26 42.719 57.794 -3.359 1.00 0.00 ATOM 210 CE2 PHE 26 40.747 56.702 -2.699 1.00 0.00 ATOM 211 CZ PHE 26 41.762 56.837 -3.581 1.00 0.00 ATOM 212 O PHE 26 42.221 57.102 2.261 1.00 0.00 ATOM 213 C PHE 26 42.764 57.566 1.268 1.00 0.00 ATOM 214 N HIS 27 43.475 56.810 0.434 1.00 0.00 ATOM 215 CA HIS 27 43.455 55.363 0.607 1.00 0.00 ATOM 216 CB HIS 27 43.899 54.613 -0.670 1.00 0.00 ATOM 217 CG HIS 27 45.264 54.937 -1.152 1.00 0.00 ATOM 218 CD2 HIS 27 45.697 55.533 -2.285 1.00 0.00 ATOM 219 ND1 HIS 27 46.385 54.486 -0.495 1.00 0.00 ATOM 220 CE1 HIS 27 47.458 54.877 -1.161 1.00 0.00 ATOM 221 NE2 HIS 27 47.067 55.475 -2.266 1.00 0.00 ATOM 222 O HIS 27 44.036 53.745 2.242 1.00 0.00 ATOM 223 C HIS 27 44.224 54.886 1.826 1.00 0.00 ATOM 224 N GLN 28 45.051 55.728 2.411 1.00 0.00 ATOM 225 CA GLN 28 45.771 55.351 3.628 1.00 0.00 ATOM 226 CB GLN 28 46.648 56.510 4.127 1.00 0.00 ATOM 227 CG GLN 28 47.784 56.833 3.203 1.00 0.00 ATOM 228 CD GLN 28 48.917 55.867 3.332 1.00 0.00 ATOM 229 OE1 GLN 28 48.914 54.988 4.193 1.00 0.00 ATOM 230 NE2 GLN 28 49.916 56.040 2.511 1.00 0.00 ATOM 231 O GLN 28 45.124 54.193 5.634 1.00 0.00 ATOM 232 C GLN 28 44.828 54.978 4.743 1.00 0.00 ATOM 233 N LEU 29 43.640 55.600 4.705 1.00 0.00 ATOM 234 CA LEU 29 42.642 55.291 5.753 1.00 0.00 ATOM 235 CB LEU 29 41.316 56.020 5.527 1.00 0.00 ATOM 236 CG LEU 29 40.434 56.139 6.791 1.00 0.00 ATOM 237 CD1 LEU 29 40.887 57.247 7.692 1.00 0.00 ATOM 238 CD2 LEU 29 38.919 56.319 6.397 1.00 0.00 ATOM 239 O LEU 29 42.181 53.260 6.910 1.00 0.00 ATOM 240 C LEU 29 42.379 53.793 5.842 1.00 0.00 ATOM 241 N PHE 30 42.298 53.153 4.685 1.00 0.00 ATOM 242 CA PHE 30 41.997 51.710 4.671 1.00 0.00 ATOM 243 CB PHE 30 41.644 51.298 3.234 1.00 0.00 ATOM 244 CG PHE 30 40.347 51.855 2.730 1.00 0.00 ATOM 245 CD1 PHE 30 39.129 51.414 3.251 1.00 0.00 ATOM 246 CD2 PHE 30 40.356 52.813 1.756 1.00 0.00 ATOM 247 CE1 PHE 30 37.948 51.935 2.816 1.00 0.00 ATOM 248 CE2 PHE 30 39.165 53.354 1.317 1.00 0.00 ATOM 249 CZ PHE 30 37.959 52.874 1.836 1.00 0.00 ATOM 250 O PHE 30 42.847 49.849 5.880 1.00 0.00 ATOM 251 C PHE 30 43.085 50.866 5.227 1.00 0.00 ATOM 252 N ARG 31 44.330 51.255 4.935 1.00 0.00 ATOM 253 CA ARG 31 45.466 50.588 5.573 1.00 0.00 ATOM 254 CB ARG 31 46.830 51.152 5.092 1.00 0.00 ATOM 255 CG ARG 31 47.986 50.524 5.866 1.00 0.00 ATOM 256 CD ARG 31 49.289 50.968 5.210 1.00 0.00 ATOM 257 NE ARG 31 49.569 52.389 5.436 1.00 0.00 ATOM 258 CZ ARG 31 50.123 52.902 6.523 1.00 0.00 ATOM 259 NH1 ARG 31 50.462 52.191 7.583 1.00 0.00 ATOM 260 NH2 ARG 31 50.333 54.198 6.577 1.00 0.00 ATOM 261 O ARG 31 45.590 49.771 7.879 1.00 0.00 ATOM 262 C ARG 31 45.393 50.707 7.103 1.00 0.00 ATOM 263 N TRP 32 45.090 51.912 7.560 1.00 0.00 ATOM 264 CA TRP 32 44.956 52.123 9.006 1.00 0.00 ATOM 265 CB TRP 32 44.667 53.580 9.352 1.00 0.00 ATOM 266 CG TRP 32 45.755 54.558 8.915 1.00 0.00 ATOM 267 CD1 TRP 32 46.979 54.280 8.426 1.00 0.00 ATOM 268 CD2 TRP 32 45.611 55.959 8.847 1.00 0.00 ATOM 269 CE2 TRP 32 46.822 56.497 8.352 1.00 0.00 ATOM 270 CE3 TRP 32 44.568 56.830 9.182 1.00 0.00 ATOM 271 NE1 TRP 32 47.644 55.442 8.111 1.00 0.00 ATOM 272 CZ2 TRP 32 47.007 57.870 8.161 1.00 0.00 ATOM 273 CZ3 TRP 32 44.769 58.174 9.012 1.00 0.00 ATOM 274 CH2 TRP 32 45.979 58.684 8.508 1.00 0.00 ATOM 275 O TRP 32 43.959 50.739 10.742 1.00 0.00 ATOM 276 C TRP 32 43.855 51.251 9.614 1.00 0.00 ATOM 277 N CYS 33 42.745 51.124 8.889 1.00 0.00 ATOM 278 CA CYS 33 41.676 50.239 9.361 1.00 0.00 ATOM 279 CB CYS 33 40.507 50.296 8.405 1.00 0.00 ATOM 280 SG CYS 33 39.538 51.836 8.353 1.00 0.00 ATOM 281 O CYS 33 41.982 48.166 10.538 1.00 0.00 ATOM 282 C CYS 33 42.123 48.804 9.495 1.00 0.00 ATOM 283 N HIS 34 42.756 48.295 8.449 1.00 0.00 ATOM 284 CA HIS 34 43.188 46.917 8.464 1.00 0.00 ATOM 285 CB HIS 34 43.732 46.500 7.109 1.00 0.00 ATOM 286 CG HIS 34 43.909 45.016 6.903 1.00 0.00 ATOM 287 CD2 HIS 34 43.286 44.185 6.035 1.00 0.00 ATOM 288 ND1 HIS 34 44.843 44.248 7.579 1.00 0.00 ATOM 289 CE1 HIS 34 44.779 43.006 7.102 1.00 0.00 ATOM 290 NE2 HIS 34 43.818 42.937 6.207 1.00 0.00 ATOM 291 O HIS 34 44.126 45.705 10.350 1.00 0.00 ATOM 292 C HIS 34 44.193 46.682 9.580 1.00 0.00 ATOM 293 N GLU 35 45.152 47.607 9.693 1.00 0.00 ATOM 294 CA GLU 35 46.132 47.458 10.778 1.00 0.00 ATOM 295 CB GLU 35 47.203 48.542 10.693 1.00 0.00 ATOM 296 CG GLU 35 48.086 48.474 9.474 1.00 0.00 ATOM 297 CD GLU 35 49.254 49.454 9.422 1.00 0.00 ATOM 298 OE1 GLU 35 49.375 50.230 10.386 1.00 0.00 ATOM 299 OE2 GLU 35 50.026 49.388 8.443 1.00 0.00 ATOM 300 O GLU 35 45.898 46.829 13.069 1.00 0.00 ATOM 301 C GLU 35 45.491 47.538 12.156 1.00 0.00 ATOM 302 N SER 36 44.480 48.388 12.340 1.00 0.00 ATOM 303 CA SER 36 43.799 48.449 13.647 1.00 0.00 ATOM 304 CB SER 36 42.917 49.691 13.779 1.00 0.00 ATOM 305 OG SER 36 41.682 49.561 13.085 1.00 0.00 ATOM 306 O SER 36 42.843 46.825 15.114 1.00 0.00 ATOM 307 C SER 36 43.000 47.198 13.959 1.00 0.00 ATOM 308 N TRP 37 42.463 46.560 12.922 1.00 0.00 ATOM 309 CA TRP 37 41.774 45.286 13.076 1.00 0.00 ATOM 310 CB TRP 37 41.117 44.883 11.765 1.00 0.00 ATOM 311 CG TRP 37 40.602 43.460 11.752 1.00 0.00 ATOM 312 CD1 TRP 37 39.719 42.915 12.605 1.00 0.00 ATOM 313 CD2 TRP 37 40.940 42.451 10.803 1.00 0.00 ATOM 314 CE2 TRP 37 40.204 41.291 11.144 1.00 0.00 ATOM 315 CE3 TRP 37 41.781 42.411 9.687 1.00 0.00 ATOM 316 NE1 TRP 37 39.457 41.607 12.252 1.00 0.00 ATOM 317 CZ2 TRP 37 40.334 40.063 10.420 1.00 0.00 ATOM 318 CZ3 TRP 37 41.847 41.248 8.951 1.00 0.00 ATOM 319 CH2 TRP 37 41.147 40.086 9.330 1.00 0.00 ATOM 320 O TRP 37 42.543 43.485 14.524 1.00 0.00 ATOM 321 C TRP 37 42.784 44.213 13.563 1.00 0.00 ATOM 322 N GLU 38 43.953 44.160 12.911 1.00 0.00 ATOM 323 CA GLU 38 45.005 43.245 13.366 1.00 0.00 ATOM 324 CB GLU 38 46.235 43.369 12.454 1.00 0.00 ATOM 325 CG GLU 38 45.978 42.983 11.018 1.00 0.00 ATOM 326 CD GLU 38 47.159 43.301 10.110 1.00 0.00 ATOM 327 OE1 GLU 38 48.204 42.605 10.239 1.00 0.00 ATOM 328 OE2 GLU 38 47.002 44.245 9.301 1.00 0.00 ATOM 329 O GLU 38 45.570 42.650 15.628 1.00 0.00 ATOM 330 C GLU 38 45.386 43.552 14.814 1.00 0.00 ATOM 331 N GLU 39 45.584 44.836 15.136 1.00 0.00 ATOM 332 CA GLU 39 45.907 45.271 16.516 1.00 0.00 ATOM 333 CB GLU 39 46.112 46.789 16.605 1.00 0.00 ATOM 334 CG GLU 39 46.696 47.202 17.899 1.00 0.00 ATOM 335 CD GLU 39 46.920 48.705 18.002 1.00 0.00 ATOM 336 OE1 GLU 39 46.717 49.430 17.009 1.00 0.00 ATOM 337 OE2 GLU 39 47.267 49.171 19.122 1.00 0.00 ATOM 338 O GLU 39 45.160 44.429 18.648 1.00 0.00 ATOM 339 C GLU 39 44.848 44.857 17.517 1.00 0.00 ATOM 340 N SER 40 43.593 44.966 17.106 1.00 0.00 ATOM 341 CA SER 40 42.496 44.543 17.966 1.00 0.00 ATOM 342 CB SER 40 41.184 44.952 17.305 1.00 0.00 ATOM 343 OG SER 40 40.078 44.674 18.174 1.00 0.00 ATOM 344 O SER 40 42.332 42.652 19.423 1.00 0.00 ATOM 345 C SER 40 42.484 43.059 18.297 1.00 0.00 ATOM 346 N LEU 41 42.740 42.258 17.268 1.00 0.00 ATOM 347 CA LEU 41 42.788 40.834 17.460 1.00 0.00 ATOM 348 CB LEU 41 42.982 40.106 16.128 1.00 0.00 ATOM 349 CG LEU 41 41.863 40.274 15.068 1.00 0.00 ATOM 350 CD1 LEU 41 42.323 39.551 13.771 1.00 0.00 ATOM 351 CD2 LEU 41 40.531 39.770 15.592 1.00 0.00 ATOM 352 O LEU 41 43.749 39.664 19.319 1.00 0.00 ATOM 353 C LEU 41 43.937 40.480 18.409 1.00 0.00 ATOM 354 N GLU 42 45.094 41.115 18.198 1.00 0.00 ATOM 355 CA GLU 42 46.293 40.940 19.060 1.00 0.00 ATOM 356 CB GLU 42 47.378 41.832 18.471 1.00 0.00 ATOM 357 CG GLU 42 48.730 41.953 19.103 1.00 0.00 ATOM 358 CD GLU 42 49.560 42.890 18.197 1.00 0.00 ATOM 359 OE1 GLU 42 49.509 44.145 18.370 1.00 0.00 ATOM 360 OE2 GLU 42 50.124 42.327 17.226 1.00 0.00 ATOM 361 O GLU 42 46.316 40.574 21.467 1.00 0.00 ATOM 362 C GLU 42 46.000 41.309 20.535 1.00 0.00 ATOM 363 N SER 43 45.364 42.470 20.710 1.00 0.00 ATOM 364 CA SER 43 45.014 43.020 22.034 1.00 0.00 ATOM 365 CB SER 43 44.520 44.450 21.856 1.00 0.00 ATOM 366 OG SER 43 44.185 45.000 23.118 1.00 0.00 ATOM 367 O SER 43 43.930 42.222 24.017 1.00 0.00 ATOM 368 C SER 43 43.960 42.217 22.791 1.00 0.00 ATOM 369 N TYR 44 43.063 41.581 22.061 1.00 0.00 ATOM 370 CA TYR 44 42.107 40.637 22.630 1.00 0.00 ATOM 371 CB TYR 44 41.042 40.324 21.594 1.00 0.00 ATOM 372 CG TYR 44 40.076 39.288 22.037 1.00 0.00 ATOM 373 CD1 TYR 44 39.214 39.524 23.114 1.00 0.00 ATOM 374 CD2 TYR 44 40.034 38.067 21.427 1.00 0.00 ATOM 375 CE1 TYR 44 38.357 38.546 23.554 1.00 0.00 ATOM 376 CE2 TYR 44 39.159 37.094 21.848 1.00 0.00 ATOM 377 CZ TYR 44 38.332 37.343 22.911 1.00 0.00 ATOM 378 OH TYR 44 37.464 36.367 23.328 1.00 0.00 ATOM 379 O TYR 44 42.403 38.719 24.066 1.00 0.00 ATOM 380 C TYR 44 42.811 39.351 23.087 1.00 0.00 ATOM 381 N GLY 45 43.882 38.982 22.386 1.00 0.00 ATOM 382 CA GLY 45 44.734 37.874 22.762 1.00 0.00 ATOM 383 O GLY 45 45.461 35.730 22.083 1.00 0.00 ATOM 384 C GLY 45 44.905 36.793 21.720 1.00 0.00 ATOM 385 N LEU 46 44.484 37.008 20.465 1.00 0.00 ATOM 386 CA LEU 46 44.664 35.999 19.422 1.00 0.00 ATOM 387 CB LEU 46 43.654 36.183 18.280 1.00 0.00 ATOM 388 CG LEU 46 42.170 36.164 18.632 1.00 0.00 ATOM 389 CD1 LEU 46 41.342 36.314 17.365 1.00 0.00 ATOM 390 CD2 LEU 46 41.805 34.912 19.390 1.00 0.00 ATOM 391 O LEU 46 46.786 37.019 18.988 1.00 0.00 ATOM 392 C LEU 46 46.096 36.019 18.898 1.00 0.00 ATOM 393 N ASN 47 46.535 34.877 18.364 1.00 0.00 ATOM 394 CA ASN 47 47.907 34.700 17.882 1.00 0.00 ATOM 395 CB ASN 47 48.334 33.274 18.227 1.00 0.00 ATOM 396 CG ASN 47 49.772 32.947 17.849 1.00 0.00 ATOM 397 ND2 ASN 47 50.251 31.844 18.409 1.00 0.00 ATOM 398 OD1 ASN 47 50.441 33.630 17.076 1.00 0.00 ATOM 399 O ASN 47 47.155 34.188 15.729 1.00 0.00 ATOM 400 C ASN 47 47.905 34.892 16.382 1.00 0.00 ATOM 401 N PRO 48 48.749 35.799 15.812 1.00 0.00 ATOM 402 CA PRO 48 48.779 36.009 14.352 1.00 0.00 ATOM 403 CB PRO 48 50.046 36.896 14.121 1.00 0.00 ATOM 404 CG PRO 48 50.767 36.953 15.405 1.00 0.00 ATOM 405 CD PRO 48 49.706 36.710 16.482 1.00 0.00 ATOM 406 O PRO 48 48.397 34.601 12.470 1.00 0.00 ATOM 407 C PRO 48 48.961 34.723 13.560 1.00 0.00 ATOM 408 N ALA 49 49.783 33.838 14.102 1.00 0.00 ATOM 409 CA ALA 49 50.112 32.554 13.513 1.00 0.00 ATOM 410 CB ALA 49 51.153 31.803 14.387 1.00 0.00 ATOM 411 O ALA 49 48.967 30.799 12.331 1.00 0.00 ATOM 412 C ALA 49 48.892 31.670 13.220 1.00 0.00 ATOM 413 N ASP 50 47.805 31.867 13.973 1.00 0.00 ATOM 414 CA ASP 50 46.565 31.140 13.748 1.00 0.00 ATOM 415 CB ASP 50 45.801 31.055 15.072 1.00 0.00 ATOM 416 CG ASP 50 46.542 30.254 16.136 1.00 0.00 ATOM 417 OD1 ASP 50 47.322 29.307 15.790 1.00 0.00 ATOM 418 OD2 ASP 50 46.353 30.576 17.329 1.00 0.00 ATOM 419 O ASP 50 44.701 31.084 12.243 1.00 0.00 ATOM 420 C ASP 50 45.635 31.738 12.717 1.00 0.00 ATOM 421 N ILE 51 45.857 32.997 12.361 1.00 0.00 ATOM 422 CA ILE 51 44.914 33.711 11.476 1.00 0.00 ATOM 423 CB ILE 51 44.227 34.933 12.202 1.00 0.00 ATOM 424 CG1 ILE 51 43.593 34.473 13.530 1.00 0.00 ATOM 425 CG2 ILE 51 43.199 35.654 11.250 1.00 0.00 ATOM 426 CD1 ILE 51 43.095 35.584 14.439 1.00 0.00 ATOM 427 O ILE 51 44.865 34.033 9.108 1.00 0.00 ATOM 428 C ILE 51 45.514 34.158 10.150 1.00 0.00 ATOM 429 N PHE 52 46.737 34.682 10.178 1.00 0.00 ATOM 430 CA PHE 52 47.316 35.350 9.000 1.00 0.00 ATOM 431 CB PHE 52 47.892 36.749 9.364 1.00 0.00 ATOM 432 CG PHE 52 46.823 37.734 9.764 1.00 0.00 ATOM 433 CD1 PHE 52 46.056 38.404 8.816 1.00 0.00 ATOM 434 CD2 PHE 52 46.541 37.938 11.113 1.00 0.00 ATOM 435 CE1 PHE 52 45.037 39.293 9.213 1.00 0.00 ATOM 436 CE2 PHE 52 45.537 38.844 11.495 1.00 0.00 ATOM 437 CZ PHE 52 44.782 39.481 10.557 1.00 0.00 ATOM 438 O PHE 52 49.319 34.081 9.062 1.00 0.00 ATOM 439 C PHE 52 48.403 34.500 8.387 1.00 0.00 ATOM 440 N PRO 53 48.318 34.282 7.058 1.00 0.00 ATOM 441 CA PRO 53 49.458 33.650 6.418 1.00 0.00 ATOM 442 CB PRO 53 48.999 33.476 4.965 1.00 0.00 ATOM 443 CG PRO 53 47.728 34.059 4.825 1.00 0.00 ATOM 444 CD PRO 53 47.230 34.604 6.117 1.00 0.00 ATOM 445 O PRO 53 50.570 35.822 6.735 1.00 0.00 ATOM 446 C PRO 53 50.686 34.589 6.508 1.00 0.00 ATOM 447 N GLY 54 51.848 33.984 6.312 1.00 0.00 ATOM 448 CA GLY 54 53.115 34.715 6.344 1.00 0.00 ATOM 449 O GLY 54 54.724 35.575 7.903 1.00 0.00 ATOM 450 C GLY 54 53.717 34.868 7.737 1.00 0.00 ATOM 451 N SER 55 53.112 34.233 8.743 1.00 0.00 ATOM 452 CA SER 55 53.513 34.471 10.120 1.00 0.00 ATOM 453 CB SER 55 52.340 34.234 11.085 1.00 0.00 ATOM 454 OG SER 55 51.259 35.169 10.910 1.00 0.00 ATOM 455 O SER 55 54.818 32.491 9.849 1.00 0.00 ATOM 456 C SER 55 54.666 33.550 10.440 1.00 0.00 ATOM 457 N ARG 56 55.519 33.956 11.369 1.00 0.00 ATOM 458 CA ARG 56 56.739 33.219 11.631 1.00 0.00 ATOM 459 CB ARG 56 57.649 34.002 12.595 1.00 0.00 ATOM 460 CG ARG 56 58.923 33.289 12.997 1.00 0.00 ATOM 461 CD ARG 56 59.779 34.185 13.920 1.00 0.00 ATOM 462 NE ARG 56 60.141 35.471 13.284 1.00 0.00 ATOM 463 CZ ARG 56 61.084 35.614 12.353 1.00 0.00 ATOM 464 NH1 ARG 56 61.788 34.572 11.932 1.00 0.00 ATOM 465 NH2 ARG 56 61.343 36.813 11.836 1.00 0.00 ATOM 466 O ARG 56 57.085 30.889 11.904 1.00 0.00 ATOM 467 C ARG 56 56.443 31.844 12.256 1.00 0.00 ATOM 468 N LYS 57 55.457 31.766 13.159 1.00 0.00 ATOM 469 CA LYS 57 55.338 30.601 14.062 1.00 0.00 ATOM 470 CB LYS 57 55.233 31.089 15.522 1.00 0.00 ATOM 471 CG LYS 57 56.515 31.828 16.000 1.00 0.00 ATOM 472 CD LYS 57 56.378 32.297 17.421 1.00 0.00 ATOM 473 CE LYS 57 57.610 33.069 17.892 1.00 0.00 ATOM 474 NZ LYS 57 57.212 33.991 19.020 1.00 0.00 ATOM 475 O LYS 57 53.862 28.767 14.513 1.00 0.00 ATOM 476 C LYS 57 54.181 29.658 13.716 1.00 0.00 ATOM 477 N SER 58 53.603 29.808 12.528 1.00 0.00 ATOM 478 CA SER 58 52.526 28.916 12.078 1.00 0.00 ATOM 479 CB SER 58 51.913 29.381 10.769 1.00 0.00 ATOM 480 OG SER 58 51.303 30.672 10.883 1.00 0.00 ATOM 481 O SER 58 54.117 27.238 11.322 1.00 0.00 ATOM 482 C SER 58 53.056 27.498 11.918 1.00 0.00 ATOM 483 N GLU 59 52.333 26.547 12.501 1.00 0.00 ATOM 484 CA GLU 59 52.718 25.153 12.272 1.00 0.00 ATOM 485 CB GLU 59 52.080 24.264 13.322 1.00 0.00 ATOM 486 CG GLU 59 52.722 24.501 14.665 1.00 0.00 ATOM 487 CD GLU 59 52.079 23.766 15.821 1.00 0.00 ATOM 488 OE1 GLU 59 50.882 23.332 15.689 1.00 0.00 ATOM 489 OE2 GLU 59 52.771 23.663 16.866 1.00 0.00 ATOM 490 O GLU 59 52.897 23.906 10.263 1.00 0.00 ATOM 491 C GLU 59 52.251 24.735 10.891 1.00 0.00 ATOM 492 N VAL 60 51.080 25.232 10.477 1.00 0.00 ATOM 493 CA VAL 60 50.622 25.117 9.099 1.00 0.00 ATOM 494 CB VAL 60 49.574 24.005 8.875 1.00 0.00 ATOM 495 CG1 VAL 60 50.219 22.614 9.100 1.00 0.00 ATOM 496 CG2 VAL 60 48.341 24.237 9.777 1.00 0.00 ATOM 497 O VAL 60 49.657 27.250 9.561 1.00 0.00 ATOM 498 C VAL 60 50.017 26.441 8.716 1.00 0.00 ATOM 499 N THR 61 49.939 26.701 7.426 1.00 0.00 ATOM 500 CA THR 61 49.325 27.939 7.004 1.00 0.00 ATOM 501 CB THR 61 49.581 28.242 5.507 1.00 0.00 ATOM 502 CG2 THR 61 48.947 27.214 4.650 1.00 0.00 ATOM 503 OG1 THR 61 49.082 29.564 5.173 1.00 0.00 ATOM 504 O THR 61 47.185 26.851 7.341 1.00 0.00 ATOM 505 C THR 61 47.840 27.894 7.408 1.00 0.00 ATOM 506 N PRO 62 47.327 29.015 7.929 1.00 0.00 ATOM 507 CA PRO 62 45.949 29.010 8.354 1.00 0.00 ATOM 508 CB PRO 62 45.697 30.469 8.692 1.00 0.00 ATOM 509 CG PRO 62 47.050 30.986 9.093 1.00 0.00 ATOM 510 CD PRO 62 48.002 30.300 8.162 1.00 0.00 ATOM 511 O PRO 62 45.139 28.874 6.068 1.00 0.00 ATOM 512 C PRO 62 44.994 28.506 7.244 1.00 0.00 ATOM 513 N GLU 63 44.012 27.723 7.648 1.00 0.00 ATOM 514 CA GLU 63 43.166 27.026 6.709 1.00 0.00 ATOM 515 CB GLU 63 42.666 25.794 7.379 1.00 0.00 ATOM 516 CG GLU 63 43.926 24.860 7.561 1.00 0.00 ATOM 517 CD GLU 63 43.901 23.979 8.790 1.00 0.00 ATOM 518 OE1 GLU 63 43.940 24.520 9.915 1.00 0.00 ATOM 519 OE2 GLU 63 43.893 22.744 8.621 1.00 0.00 ATOM 520 O GLU 63 41.564 27.592 5.060 1.00 0.00 ATOM 521 C GLU 63 42.047 27.882 6.134 1.00 0.00 ATOM 522 N VAL 64 41.675 28.937 6.854 1.00 0.00 ATOM 523 CA VAL 64 40.530 29.818 6.485 1.00 0.00 ATOM 524 CB VAL 64 39.513 29.963 7.658 1.00 0.00 ATOM 525 CG1 VAL 64 38.412 30.942 7.303 1.00 0.00 ATOM 526 CG2 VAL 64 38.910 28.599 7.990 1.00 0.00 ATOM 527 O VAL 64 41.883 31.741 6.870 1.00 0.00 ATOM 528 C VAL 64 41.076 31.181 6.099 1.00 0.00 ATOM 529 N ALA 65 40.729 31.653 4.895 1.00 0.00 ATOM 530 CA ALA 65 41.063 32.986 4.414 1.00 0.00 ATOM 531 CB ALA 65 41.281 32.998 2.893 1.00 0.00 ATOM 532 O ALA 65 38.752 33.441 4.856 1.00 0.00 ATOM 533 C ALA 65 39.869 33.883 4.750 1.00 0.00 ATOM 534 N LEU 66 40.133 35.164 4.966 1.00 0.00 ATOM 535 CA LEU 66 39.103 36.170 5.335 1.00 0.00 ATOM 536 CB LEU 66 39.333 36.674 6.753 1.00 0.00 ATOM 537 CG LEU 66 39.325 35.673 7.890 1.00 0.00 ATOM 538 CD1 LEU 66 39.722 36.285 9.205 1.00 0.00 ATOM 539 CD2 LEU 66 37.938 35.050 8.056 1.00 0.00 ATOM 540 O LEU 66 39.360 38.521 4.696 1.00 0.00 ATOM 541 C LEU 66 39.135 37.327 4.316 1.00 0.00 ATOM 542 N PRO 67 38.941 37.028 3.046 1.00 0.00 ATOM 543 CA PRO 67 39.007 38.101 2.042 1.00 0.00 ATOM 544 CB PRO 67 38.682 37.411 0.731 1.00 0.00 ATOM 545 CG PRO 67 37.925 36.168 1.131 1.00 0.00 ATOM 546 CD PRO 67 38.616 35.741 2.401 1.00 0.00 ATOM 547 O PRO 67 36.831 38.970 2.686 1.00 0.00 ATOM 548 C PRO 67 37.967 39.203 2.285 1.00 0.00 ATOM 549 N ILE 68 38.407 40.407 2.012 1.00 0.00 ATOM 550 CA ILE 68 37.555 41.561 1.999 1.00 0.00 ATOM 551 CB ILE 68 38.380 42.874 2.180 1.00 0.00 ATOM 552 CG1 ILE 68 38.982 42.850 3.603 1.00 0.00 ATOM 553 CG2 ILE 68 37.561 44.118 1.942 1.00 0.00 ATOM 554 CD1 ILE 68 40.208 43.773 3.844 1.00 0.00 ATOM 555 O ILE 68 37.295 41.592 -0.393 1.00 0.00 ATOM 556 C ILE 68 36.741 41.555 0.712 1.00 0.00 ATOM 557 N ILE 69 35.407 41.572 0.848 1.00 0.00 ATOM 558 CA ILE 69 34.535 41.582 -0.298 1.00 0.00 ATOM 559 CB ILE 69 33.408 40.521 -0.178 1.00 0.00 ATOM 560 CG1 ILE 69 32.644 40.668 1.121 1.00 0.00 ATOM 561 CG2 ILE 69 34.048 39.141 -0.281 1.00 0.00 ATOM 562 CD1 ILE 69 31.251 39.965 1.150 1.00 0.00 ATOM 563 O ILE 69 33.433 43.190 -1.690 1.00 0.00 ATOM 564 C ILE 69 33.941 42.969 -0.591 1.00 0.00 ATOM 565 N HIS 70 33.965 43.855 0.392 1.00 0.00 ATOM 566 CA HIS 70 33.428 45.226 0.246 1.00 0.00 ATOM 567 CB HIS 70 31.908 45.263 0.447 1.00 0.00 ATOM 568 CG HIS 70 31.333 46.641 0.500 1.00 0.00 ATOM 569 CD2 HIS 70 30.936 47.416 1.542 1.00 0.00 ATOM 570 ND1 HIS 70 31.134 47.392 -0.640 1.00 0.00 ATOM 571 CE1 HIS 70 30.664 48.585 -0.299 1.00 0.00 ATOM 572 NE2 HIS 70 30.517 48.624 1.019 1.00 0.00 ATOM 573 O HIS 70 34.338 45.692 2.399 1.00 0.00 ATOM 574 C HIS 70 34.099 46.102 1.261 1.00 0.00 ATOM 575 N CYS 71 34.398 47.325 0.886 1.00 0.00 ATOM 576 CA CYS 71 34.764 48.333 1.854 1.00 0.00 ATOM 577 CB CYS 71 36.239 48.326 2.193 1.00 0.00 ATOM 578 SG CYS 71 37.359 48.670 0.765 1.00 0.00 ATOM 579 O CYS 71 34.138 49.906 0.152 1.00 0.00 ATOM 580 C CYS 71 34.403 49.706 1.359 1.00 0.00 ATOM 581 N GLN 72 34.254 50.636 2.288 1.00 0.00 ATOM 582 CA GLN 72 33.860 51.990 1.976 1.00 0.00 ATOM 583 CB GLN 72 32.350 52.104 1.794 1.00 0.00 ATOM 584 CG GLN 72 31.514 51.685 2.986 1.00 0.00 ATOM 585 CD GLN 72 30.065 51.903 2.708 1.00 0.00 ATOM 586 OE1 GLN 72 29.361 50.974 2.221 1.00 0.00 ATOM 587 NE2 GLN 72 29.586 53.114 2.943 1.00 0.00 ATOM 588 O GLN 72 34.600 52.528 4.200 1.00 0.00 ATOM 589 C GLN 72 34.318 52.926 3.084 1.00 0.00 ATOM 590 N ALA 73 34.363 54.195 2.736 1.00 0.00 ATOM 591 CA ALA 73 34.726 55.246 3.687 1.00 0.00 ATOM 592 CB ALA 73 36.205 55.445 3.787 1.00 0.00 ATOM 593 O ALA 73 33.877 56.847 2.140 1.00 0.00 ATOM 594 C ALA 73 34.089 56.544 3.345 1.00 0.00 ATOM 595 N ASP 74 33.794 57.342 4.377 1.00 0.00 ATOM 596 CA ASP 74 33.376 58.749 4.208 1.00 0.00 ATOM 597 CB ASP 74 32.059 59.030 4.914 1.00 0.00 ATOM 598 CG ASP 74 30.836 58.387 4.322 1.00 0.00 ATOM 599 OD1 ASP 74 30.849 57.592 3.400 1.00 0.00 ATOM 600 OD2 ASP 74 29.753 58.659 4.924 1.00 0.00 ATOM 601 O ASP 74 34.889 59.289 6.006 1.00 0.00 ATOM 602 C ASP 74 34.471 59.599 4.886 1.00 0.00 ATOM 603 N PHE 75 34.877 60.670 4.222 1.00 0.00 ATOM 604 CA PHE 75 35.910 61.570 4.707 1.00 0.00 ATOM 605 CB PHE 75 37.007 61.703 3.648 1.00 0.00 ATOM 606 CG PHE 75 37.620 60.420 3.228 1.00 0.00 ATOM 607 CD1 PHE 75 37.049 59.675 2.193 1.00 0.00 ATOM 608 CD2 PHE 75 38.770 59.907 3.815 1.00 0.00 ATOM 609 CE1 PHE 75 37.554 58.511 1.773 1.00 0.00 ATOM 610 CE2 PHE 75 39.311 58.717 3.344 1.00 0.00 ATOM 611 CZ PHE 75 38.678 58.000 2.373 1.00 0.00 ATOM 612 O PHE 75 34.702 63.529 4.119 1.00 0.00 ATOM 613 C PHE 75 35.219 62.884 5.014 1.00 0.00 ATOM 614 N ARG 76 35.241 63.287 6.278 1.00 0.00 ATOM 615 CA ARG 76 34.408 64.387 6.747 1.00 0.00 ATOM 616 CB ARG 76 33.624 63.979 8.011 1.00 0.00 ATOM 617 CG ARG 76 32.871 62.618 7.937 1.00 0.00 ATOM 618 CD ARG 76 31.779 62.525 6.852 1.00 0.00 ATOM 619 NE ARG 76 30.617 63.342 7.205 1.00 0.00 ATOM 620 CZ ARG 76 30.066 64.280 6.438 1.00 0.00 ATOM 621 NH1 ARG 76 30.536 64.542 5.216 1.00 0.00 ATOM 622 NH2 ARG 76 29.020 64.958 6.893 1.00 0.00 ATOM 623 O ARG 76 34.798 66.735 6.754 1.00 0.00 ATOM 624 C ARG 76 35.232 65.605 7.056 1.00 0.00 ATOM 625 N ARG 77 36.406 65.422 7.666 1.00 0.00 ATOM 626 CA ARG 77 37.314 66.555 7.998 1.00 0.00 ATOM 627 CB ARG 77 37.255 66.816 9.503 1.00 0.00 ATOM 628 CG ARG 77 35.890 67.260 9.974 1.00 0.00 ATOM 629 CD ARG 77 35.742 67.288 11.460 1.00 0.00 ATOM 630 NE ARG 77 35.011 68.483 11.845 1.00 0.00 ATOM 631 CZ ARG 77 35.579 69.618 12.250 1.00 0.00 ATOM 632 NH1 ARG 77 36.908 69.725 12.369 1.00 0.00 ATOM 633 NH2 ARG 77 34.806 70.656 12.562 1.00 0.00 ATOM 634 O ARG 77 39.117 65.075 7.692 1.00 0.00 ATOM 635 C ARG 77 38.724 66.220 7.610 1.00 0.00 ATOM 636 N PRO 78 39.502 67.224 7.193 1.00 0.00 ATOM 637 CA PRO 78 40.885 66.943 6.803 1.00 0.00 ATOM 638 CB PRO 78 41.430 68.299 6.358 1.00 0.00 ATOM 639 CG PRO 78 40.476 69.279 6.828 1.00 0.00 ATOM 640 CD PRO 78 39.153 68.638 7.047 1.00 0.00 ATOM 641 O PRO 78 41.568 66.774 9.127 1.00 0.00 ATOM 642 C PRO 78 41.728 66.387 7.955 1.00 0.00 ATOM 643 N ILE 79 42.650 65.494 7.590 1.00 0.00 ATOM 644 CA ILE 79 43.504 64.815 8.535 1.00 0.00 ATOM 645 CB ILE 79 43.283 63.270 8.455 1.00 0.00 ATOM 646 CG1 ILE 79 41.880 62.919 8.997 1.00 0.00 ATOM 647 CG2 ILE 79 44.403 62.443 9.225 1.00 0.00 ATOM 648 CD1 ILE 79 41.412 61.483 8.715 1.00 0.00 ATOM 649 O ILE 79 45.280 65.115 6.980 1.00 0.00 ATOM 650 C ILE 79 44.920 65.165 8.171 1.00 0.00 ATOM 651 N HIS 80 45.702 65.565 9.164 1.00 0.00 ATOM 652 CA HIS 80 47.034 66.162 8.970 1.00 0.00 ATOM 653 CB HIS 80 47.028 67.575 9.599 1.00 0.00 ATOM 654 CG HIS 80 46.237 68.553 8.816 1.00 0.00 ATOM 655 CD2 HIS 80 46.507 69.169 7.642 1.00 0.00 ATOM 656 ND1 HIS 80 44.990 68.996 9.211 1.00 0.00 ATOM 657 CE1 HIS 80 44.524 69.840 8.304 1.00 0.00 ATOM 658 NE2 HIS 80 45.408 69.938 7.328 1.00 0.00 ATOM 659 O HIS 80 47.995 64.702 10.569 1.00 0.00 ATOM 660 C HIS 80 48.180 65.407 9.599 1.00 0.00 ATOM 661 N THR 81 49.388 65.582 9.061 1.00 0.00 ATOM 662 CA THR 81 50.566 64.961 9.653 1.00 0.00 ATOM 663 CB THR 81 51.888 65.170 8.792 1.00 0.00 ATOM 664 CG2 THR 81 51.882 66.481 8.042 1.00 0.00 ATOM 665 OG1 THR 81 53.039 65.159 9.638 1.00 0.00 ATOM 666 O THR 81 50.613 66.547 11.512 1.00 0.00 ATOM 667 C THR 81 50.708 65.364 11.140 1.00 0.00 ATOM 668 N GLY 82 50.934 64.370 11.982 1.00 0.00 ATOM 669 CA GLY 82 51.090 64.569 13.391 1.00 0.00 ATOM 670 O GLY 82 49.853 64.573 15.376 1.00 0.00 ATOM 671 C GLY 82 49.782 64.541 14.155 1.00 0.00 ATOM 672 N ASP 83 48.616 64.491 13.491 1.00 0.00 ATOM 673 CA ASP 83 47.325 64.311 14.184 1.00 0.00 ATOM 674 CB ASP 83 46.140 64.302 13.244 1.00 0.00 ATOM 675 CG ASP 83 45.702 65.687 12.758 1.00 0.00 ATOM 676 OD1 ASP 83 46.127 66.735 13.299 1.00 0.00 ATOM 677 OD2 ASP 83 44.899 65.725 11.804 1.00 0.00 ATOM 678 O ASP 83 47.774 61.985 14.472 1.00 0.00 ATOM 679 C ASP 83 47.329 63.013 14.977 1.00 0.00 ATOM 680 N ALA 84 46.858 63.086 16.239 1.00 0.00 ATOM 681 CA ALA 84 46.618 61.936 17.062 1.00 0.00 ATOM 682 CB ALA 84 46.787 62.308 18.555 1.00 0.00 ATOM 683 O ALA 84 44.247 62.326 17.060 1.00 0.00 ATOM 684 C ALA 84 45.175 61.539 16.785 1.00 0.00 ATOM 685 N LEU 85 44.971 60.346 16.256 1.00 0.00 ATOM 686 CA LEU 85 43.637 59.879 15.956 1.00 0.00 ATOM 687 CB LEU 85 43.562 59.286 14.540 1.00 0.00 ATOM 688 CG LEU 85 43.979 60.207 13.404 1.00 0.00 ATOM 689 CD1 LEU 85 43.863 59.388 12.097 1.00 0.00 ATOM 690 CD2 LEU 85 43.177 61.486 13.345 1.00 0.00 ATOM 691 O LEU 85 43.929 57.817 17.199 1.00 0.00 ATOM 692 C LEU 85 43.193 58.801 16.941 1.00 0.00 ATOM 693 N ALA 86 41.989 58.964 17.465 1.00 0.00 ATOM 694 CA ALA 86 41.348 58.000 18.350 1.00 0.00 ATOM 695 CB ALA 86 40.527 58.760 19.381 1.00 0.00 ATOM 696 O ALA 86 39.690 57.681 16.667 1.00 0.00 ATOM 697 C ALA 86 40.496 57.131 17.430 1.00 0.00 ATOM 698 N MET 87 40.726 55.837 17.406 1.00 0.00 ATOM 699 CA MET 87 40.027 54.910 16.533 1.00 0.00 ATOM 700 CB MET 87 41.014 54.033 15.813 1.00 0.00 ATOM 701 CG MET 87 41.948 54.848 14.864 1.00 0.00 ATOM 702 SD MET 87 43.164 53.741 13.877 1.00 0.00 ATOM 703 CE MET 87 44.372 53.239 15.368 1.00 0.00 ATOM 704 O MET 87 39.511 53.447 18.324 1.00 0.00 ATOM 705 C MET 87 39.102 54.034 17.349 1.00 0.00 ATOM 706 N GLU 88 37.831 53.998 16.997 1.00 0.00 ATOM 707 CA GLU 88 36.903 53.119 17.670 1.00 0.00 ATOM 708 CB GLU 88 35.728 53.900 18.221 1.00 0.00 ATOM 709 CG GLU 88 34.698 52.962 18.847 1.00 0.00 ATOM 710 CD GLU 88 33.789 53.613 19.895 1.00 0.00 ATOM 711 OE1 GLU 88 33.850 54.870 20.073 1.00 0.00 ATOM 712 OE2 GLU 88 33.033 52.820 20.530 1.00 0.00 ATOM 713 O GLU 88 35.890 52.435 15.610 1.00 0.00 ATOM 714 C GLU 88 36.385 52.091 16.691 1.00 0.00 ATOM 715 N LEU 89 36.492 50.822 17.040 1.00 0.00 ATOM 716 CA LEU 89 36.092 49.725 16.181 1.00 0.00 ATOM 717 CB LEU 89 37.146 48.592 16.199 1.00 0.00 ATOM 718 CG LEU 89 38.351 48.728 15.289 1.00 0.00 ATOM 719 CD1 LEU 89 39.113 50.015 15.616 1.00 0.00 ATOM 720 CD2 LEU 89 39.210 47.508 15.399 1.00 0.00 ATOM 721 O LEU 89 34.596 48.936 17.936 1.00 0.00 ATOM 722 C LEU 89 34.778 49.142 16.713 1.00 0.00 ATOM 723 N ARG 90 33.881 48.852 15.782 1.00 0.00 ATOM 724 CA ARG 90 32.622 48.195 16.123 1.00 0.00 ATOM 725 CB ARG 90 31.451 49.183 16.070 1.00 0.00 ATOM 726 CG ARG 90 31.504 50.219 17.167 1.00 0.00 ATOM 727 CD ARG 90 30.400 51.254 17.016 1.00 0.00 ATOM 728 NE ARG 90 30.294 52.271 18.076 1.00 0.00 ATOM 729 CZ ARG 90 30.869 53.483 18.038 1.00 0.00 ATOM 730 NH1 ARG 90 31.703 53.877 17.033 1.00 0.00 ATOM 731 NH2 ARG 90 30.610 54.314 19.047 1.00 0.00 ATOM 732 O ARG 90 31.965 47.249 14.027 1.00 0.00 ATOM 733 C ARG 90 32.400 47.025 15.160 1.00 0.00 ATOM 734 N PRO 91 32.770 45.807 15.590 1.00 0.00 ATOM 735 CA PRO 91 32.559 44.621 14.770 1.00 0.00 ATOM 736 CB PRO 91 33.563 43.595 15.352 1.00 0.00 ATOM 737 CG PRO 91 34.291 44.268 16.491 1.00 0.00 ATOM 738 CD PRO 91 33.505 45.488 16.844 1.00 0.00 ATOM 739 O PRO 91 30.417 44.336 15.801 1.00 0.00 ATOM 740 C PRO 91 31.114 44.106 14.811 1.00 0.00 ATOM 741 N GLU 92 30.684 43.437 13.745 1.00 0.00 ATOM 742 CA GLU 92 29.346 42.854 13.672 1.00 0.00 ATOM 743 CB GLU 92 28.385 43.763 12.915 1.00 0.00 ATOM 744 CG GLU 92 26.956 43.263 12.851 1.00 0.00 ATOM 745 CD GLU 92 25.980 44.186 12.043 1.00 0.00 ATOM 746 OE1 GLU 92 26.310 45.360 11.772 1.00 0.00 ATOM 747 OE2 GLU 92 24.857 43.732 11.702 1.00 0.00 ATOM 748 O GLU 92 29.918 41.506 11.805 1.00 0.00 ATOM 749 C GLU 92 29.451 41.546 12.940 1.00 0.00 ATOM 750 N ARG 93 29.039 40.461 13.599 1.00 0.00 ATOM 751 CA ARG 93 28.838 39.195 12.908 1.00 0.00 ATOM 752 CB ARG 93 28.581 38.066 13.885 1.00 0.00 ATOM 753 CG ARG 93 28.554 36.689 13.280 1.00 0.00 ATOM 754 CD ARG 93 28.125 35.629 14.320 1.00 0.00 ATOM 755 NE ARG 93 29.203 35.238 15.245 1.00 0.00 ATOM 756 CZ ARG 93 29.310 35.613 16.526 1.00 0.00 ATOM 757 NH1 ARG 93 28.401 36.410 17.088 1.00 0.00 ATOM 758 NH2 ARG 93 30.340 35.173 17.267 1.00 0.00 ATOM 759 O ARG 93 26.628 39.972 12.434 1.00 0.00 ATOM 760 C ARG 93 27.647 39.414 12.005 1.00 0.00 ATOM 761 N LEU 94 27.772 39.009 10.756 1.00 0.00 ATOM 762 CA LEU 94 26.690 39.117 9.804 1.00 0.00 ATOM 763 CB LEU 94 27.184 39.594 8.442 1.00 0.00 ATOM 764 CG LEU 94 27.771 41.014 8.375 1.00 0.00 ATOM 765 CD1 LEU 94 28.375 41.291 7.018 1.00 0.00 ATOM 766 CD2 LEU 94 26.644 42.067 8.672 1.00 0.00 ATOM 767 O LEU 94 24.751 37.743 9.618 1.00 0.00 ATOM 768 C LEU 94 25.960 37.790 9.659 1.00 0.00 ATOM 769 N ASN 95 26.720 36.720 9.643 1.00 0.00 ATOM 770 CA ASN 95 26.183 35.368 9.588 1.00 0.00 ATOM 771 CB ASN 95 25.636 35.117 8.183 1.00 0.00 ATOM 772 CG ASN 95 26.683 35.209 7.088 1.00 0.00 ATOM 773 ND2 ASN 95 26.366 35.954 6.046 1.00 0.00 ATOM 774 OD1 ASN 95 27.743 34.593 7.156 1.00 0.00 ATOM 775 O ASN 95 28.400 34.882 10.407 1.00 0.00 ATOM 776 C ASN 95 27.321 34.418 10.011 1.00 0.00 ATOM 777 N PRO 96 27.091 33.090 10.002 1.00 0.00 ATOM 778 CA PRO 96 28.184 32.193 10.419 1.00 0.00 ATOM 779 CB PRO 96 27.512 30.796 10.337 1.00 0.00 ATOM 780 CG PRO 96 26.083 31.111 10.602 1.00 0.00 ATOM 781 CD PRO 96 25.844 32.322 9.779 1.00 0.00 ATOM 782 O PRO 96 30.499 31.698 10.021 1.00 0.00 ATOM 783 C PRO 96 29.461 32.240 9.584 1.00 0.00 ATOM 784 N ASN 97 29.372 32.846 8.409 1.00 0.00 ATOM 785 CA ASN 97 30.490 32.900 7.462 1.00 0.00 ATOM 786 CB ASN 97 30.025 32.375 6.109 1.00 0.00 ATOM 787 CG ASN 97 29.440 30.965 6.175 1.00 0.00 ATOM 788 ND2 ASN 97 28.673 30.625 5.152 1.00 0.00 ATOM 789 OD1 ASN 97 29.674 30.197 7.118 1.00 0.00 ATOM 790 O ASN 97 31.898 34.441 6.302 1.00 0.00 ATOM 791 C ASN 97 31.049 34.289 7.174 1.00 0.00 ATOM 792 N SER 98 30.592 35.322 7.873 1.00 0.00 ATOM 793 CA SER 98 30.947 36.678 7.473 1.00 0.00 ATOM 794 CB SER 98 30.022 37.094 6.335 1.00 0.00 ATOM 795 OG SER 98 30.196 38.418 5.880 1.00 0.00 ATOM 796 O SER 98 29.928 37.494 9.509 1.00 0.00 ATOM 797 C SER 98 30.801 37.645 8.633 1.00 0.00 ATOM 798 N PHE 99 31.588 38.712 8.574 1.00 0.00 ATOM 799 CA PHE 99 31.525 39.781 9.545 1.00 0.00 ATOM 800 CB PHE 99 32.366 39.478 10.798 1.00 0.00 ATOM 801 CG PHE 99 33.849 39.532 10.591 1.00 0.00 ATOM 802 CD1 PHE 99 34.531 38.446 10.071 1.00 0.00 ATOM 803 CD2 PHE 99 34.564 40.679 10.909 1.00 0.00 ATOM 804 CE1 PHE 99 35.887 38.483 9.846 1.00 0.00 ATOM 805 CE2 PHE 99 35.934 40.728 10.689 1.00 0.00 ATOM 806 CZ PHE 99 36.584 39.605 10.156 1.00 0.00 ATOM 807 O PHE 99 32.597 41.100 7.806 1.00 0.00 ATOM 808 C PHE 99 31.954 41.100 8.882 1.00 0.00 ATOM 809 N GLN 100 31.602 42.198 9.508 1.00 0.00 ATOM 810 CA GLN 100 32.154 43.504 9.104 1.00 0.00 ATOM 811 CB GLN 100 31.149 44.253 8.256 1.00 0.00 ATOM 812 CG GLN 100 29.897 44.581 8.897 1.00 0.00 ATOM 813 CD GLN 100 28.858 45.144 7.921 1.00 0.00 ATOM 814 OE1 GLN 100 28.903 44.946 6.670 1.00 0.00 ATOM 815 NE2 GLN 100 27.959 45.882 8.478 1.00 0.00 ATOM 816 O GLN 100 32.272 43.888 11.470 1.00 0.00 ATOM 817 C GLN 100 32.612 44.250 10.350 1.00 0.00 ATOM 818 N VAL 101 33.492 45.224 10.112 1.00 0.00 ATOM 819 CA VAL 101 34.016 46.106 11.123 1.00 0.00 ATOM 820 CB VAL 101 35.509 45.847 11.447 1.00 0.00 ATOM 821 CG1 VAL 101 35.913 46.672 12.621 1.00 0.00 ATOM 822 CG2 VAL 101 35.768 44.320 11.668 1.00 0.00 ATOM 823 O VAL 101 34.201 47.849 9.550 1.00 0.00 ATOM 824 C VAL 101 33.812 47.525 10.657 1.00 0.00 ATOM 825 N HIS 102 33.250 48.334 11.544 1.00 0.00 ATOM 826 CA HIS 102 33.105 49.763 11.355 1.00 0.00 ATOM 827 CB HIS 102 31.725 50.240 11.818 1.00 0.00 ATOM 828 CG HIS 102 31.463 51.686 11.597 1.00 0.00 ATOM 829 CD2 HIS 102 30.865 52.361 10.572 1.00 0.00 ATOM 830 ND1 HIS 102 31.755 52.613 12.568 1.00 0.00 ATOM 831 CE1 HIS 102 31.357 53.807 12.155 1.00 0.00 ATOM 832 NE2 HIS 102 30.817 53.678 10.942 1.00 0.00 ATOM 833 O HIS 102 34.521 50.069 13.299 1.00 0.00 ATOM 834 C HIS 102 34.226 50.451 12.141 1.00 0.00 ATOM 835 N PHE 103 34.843 51.477 11.548 1.00 0.00 ATOM 836 CA PHE 103 35.951 52.180 12.118 1.00 0.00 ATOM 837 CB PHE 103 37.176 52.017 11.217 1.00 0.00 ATOM 838 CG PHE 103 37.590 50.581 10.966 1.00 0.00 ATOM 839 CD1 PHE 103 37.021 49.814 9.974 1.00 0.00 ATOM 840 CD2 PHE 103 38.572 50.000 11.773 1.00 0.00 ATOM 841 CE1 PHE 103 37.410 48.507 9.749 1.00 0.00 ATOM 842 CE2 PHE 103 38.957 48.718 11.533 1.00 0.00 ATOM 843 CZ PHE 103 38.379 47.970 10.513 1.00 0.00 ATOM 844 O PHE 103 35.262 54.237 11.112 1.00 0.00 ATOM 845 C PHE 103 35.580 53.639 12.158 1.00 0.00 ATOM 846 N GLU 104 35.663 54.268 13.326 1.00 0.00 ATOM 847 CA GLU 104 35.421 55.710 13.441 1.00 0.00 ATOM 848 CB GLU 104 34.337 55.928 14.487 1.00 0.00 ATOM 849 CG GLU 104 34.000 57.297 14.751 1.00 0.00 ATOM 850 CD GLU 104 32.964 57.409 15.886 1.00 0.00 ATOM 851 OE1 GLU 104 31.920 56.756 15.799 1.00 0.00 ATOM 852 OE2 GLU 104 33.244 58.111 16.867 1.00 0.00 ATOM 853 O GLU 104 37.351 55.949 14.852 1.00 0.00 ATOM 854 C GLU 104 36.728 56.400 13.872 1.00 0.00 ATOM 855 N PHE 105 37.147 57.447 13.168 1.00 0.00 ATOM 856 CA PHE 105 38.399 58.154 13.449 1.00 0.00 ATOM 857 CB PHE 105 39.184 58.346 12.160 1.00 0.00 ATOM 858 CG PHE 105 39.704 57.074 11.572 1.00 0.00 ATOM 859 CD1 PHE 105 38.873 56.292 10.802 1.00 0.00 ATOM 860 CD2 PHE 105 41.038 56.665 11.759 1.00 0.00 ATOM 861 CE1 PHE 105 39.326 55.110 10.261 1.00 0.00 ATOM 862 CE2 PHE 105 41.515 55.486 11.190 1.00 0.00 ATOM 863 CZ PHE 105 40.649 54.693 10.450 1.00 0.00 ATOM 864 O PHE 105 37.360 60.281 13.294 1.00 0.00 ATOM 865 C PHE 105 38.073 59.509 13.983 1.00 0.00 ATOM 866 N ARG 106 38.526 59.815 15.206 1.00 0.00 ATOM 867 CA ARG 106 38.277 61.117 15.805 1.00 0.00 ATOM 868 CB ARG 106 37.603 60.994 17.182 1.00 0.00 ATOM 869 CG ARG 106 36.105 60.755 17.130 1.00 0.00 ATOM 870 CD ARG 106 35.435 60.694 18.514 1.00 0.00 ATOM 871 NE ARG 106 34.068 60.156 18.422 1.00 0.00 ATOM 872 CZ ARG 106 32.957 60.875 18.308 1.00 0.00 ATOM 873 NH1 ARG 106 32.987 62.205 18.338 1.00 0.00 ATOM 874 NH2 ARG 106 31.781 60.244 18.213 1.00 0.00 ATOM 875 O ARG 106 40.637 61.248 16.195 1.00 0.00 ATOM 876 C ARG 106 39.601 61.858 15.970 1.00 0.00 ATOM 877 N CYS 107 39.565 63.176 15.843 1.00 0.00 ATOM 878 CA CYS 107 40.701 64.010 16.144 1.00 0.00 ATOM 879 CB CYS 107 41.374 64.432 14.877 1.00 0.00 ATOM 880 SG CYS 107 42.881 65.387 15.156 1.00 0.00 ATOM 881 O CYS 107 39.172 65.813 16.347 1.00 0.00 ATOM 882 C CYS 107 40.123 65.212 16.847 1.00 0.00 ATOM 883 N GLU 108 40.690 65.511 18.014 1.00 0.00 ATOM 884 CA GLU 108 40.201 66.578 18.897 1.00 0.00 ATOM 885 CB GLU 108 40.586 67.932 18.301 1.00 0.00 ATOM 886 CG GLU 108 42.109 68.147 18.361 1.00 0.00 ATOM 887 CD GLU 108 42.615 69.360 17.575 1.00 0.00 ATOM 888 OE1 GLU 108 41.893 70.382 17.490 1.00 0.00 ATOM 889 OE2 GLU 108 43.748 69.285 17.042 1.00 0.00 ATOM 890 O GLU 108 37.907 67.312 18.930 1.00 0.00 ATOM 891 C GLU 108 38.701 66.393 19.103 1.00 0.00 ATOM 892 N GLU 109 38.331 65.147 19.409 1.00 0.00 ATOM 893 CA GLU 109 36.946 64.770 19.725 1.00 0.00 ATOM 894 CB GLU 109 36.398 65.656 20.873 1.00 0.00 ATOM 895 CG GLU 109 37.285 65.747 22.094 1.00 0.00 ATOM 896 CD GLU 109 37.491 64.406 22.748 1.00 0.00 ATOM 897 OE1 GLU 109 36.713 63.468 22.457 1.00 0.00 ATOM 898 OE2 GLU 109 38.432 64.291 23.563 1.00 0.00 ATOM 899 O GLU 109 34.776 64.505 18.828 1.00 0.00 ATOM 900 C GLU 109 35.924 64.815 18.589 1.00 0.00 ATOM 901 N GLN 110 36.319 65.193 17.377 1.00 0.00 ATOM 902 CA GLN 110 35.391 65.328 16.275 1.00 0.00 ATOM 903 CB GLN 110 35.625 66.643 15.601 1.00 0.00 ATOM 904 CG GLN 110 35.280 67.827 16.547 1.00 0.00 ATOM 905 CD GLN 110 35.027 69.112 15.795 1.00 0.00 ATOM 906 OE1 GLN 110 35.840 70.051 15.841 1.00 0.00 ATOM 907 NE2 GLN 110 33.886 69.170 15.091 1.00 0.00 ATOM 908 O GLN 110 36.754 63.803 15.093 1.00 0.00 ATOM 909 C GLN 110 35.634 64.191 15.277 1.00 0.00 ATOM 910 N ILE 111 34.590 63.680 14.665 1.00 0.00 ATOM 911 CA ILE 111 34.740 62.596 13.696 1.00 0.00 ATOM 912 CB ILE 111 33.427 61.900 13.364 1.00 0.00 ATOM 913 CG1 ILE 111 32.852 61.213 14.618 1.00 0.00 ATOM 914 CG2 ILE 111 33.631 60.792 12.293 1.00 0.00 ATOM 915 CD1 ILE 111 31.454 60.557 14.424 1.00 0.00 ATOM 916 O ILE 111 34.739 64.055 11.811 1.00 0.00 ATOM 917 C ILE 111 35.335 63.153 12.418 1.00 0.00 ATOM 918 N ALA 112 36.515 62.663 12.017 1.00 0.00 ATOM 919 CA ALA 112 37.146 63.117 10.791 1.00 0.00 ATOM 920 CB ALA 112 38.629 63.205 10.997 1.00 0.00 ATOM 921 O ALA 112 36.860 62.607 8.471 1.00 0.00 ATOM 922 C ALA 112 36.858 62.173 9.612 1.00 0.00 ATOM 923 N ALA 113 36.605 60.906 9.879 1.00 0.00 ATOM 924 CA ALA 113 36.367 59.903 8.850 1.00 0.00 ATOM 925 CB ALA 113 37.684 59.540 8.133 1.00 0.00 ATOM 926 O ALA 113 35.930 58.409 10.720 1.00 0.00 ATOM 927 C ALA 113 35.760 58.669 9.502 1.00 0.00 ATOM 928 N HIS 114 35.089 57.848 8.700 1.00 0.00 ATOM 929 CA HIS 114 34.688 56.553 9.161 1.00 0.00 ATOM 930 CB HIS 114 33.329 56.562 9.855 1.00 0.00 ATOM 931 CG HIS 114 32.220 57.118 9.035 1.00 0.00 ATOM 932 CD2 HIS 114 31.630 58.334 9.044 1.00 0.00 ATOM 933 ND1 HIS 114 31.548 56.370 8.094 1.00 0.00 ATOM 934 CE1 HIS 114 30.571 57.110 7.578 1.00 0.00 ATOM 935 NE2 HIS 114 30.618 58.306 8.125 1.00 0.00 ATOM 936 O HIS 114 34.656 56.032 6.831 1.00 0.00 ATOM 937 C HIS 114 34.700 55.589 7.982 1.00 0.00 ATOM 938 N ALA 115 34.809 54.297 8.259 1.00 0.00 ATOM 939 CA ALA 115 34.960 53.301 7.221 1.00 0.00 ATOM 940 CB ALA 115 36.420 53.028 6.939 1.00 0.00 ATOM 941 O ALA 115 34.044 51.777 8.831 1.00 0.00 ATOM 942 C ALA 115 34.301 52.021 7.653 1.00 0.00 ATOM 943 N LEU 116 34.061 51.140 6.693 1.00 0.00 ATOM 944 CA LEU 116 33.418 49.853 6.928 1.00 0.00 ATOM 945 CB LEU 116 31.933 49.936 6.549 1.00 0.00 ATOM 946 CG LEU 116 31.143 48.677 6.767 1.00 0.00 ATOM 947 CD1 LEU 116 30.793 48.507 8.269 1.00 0.00 ATOM 948 CD2 LEU 116 29.757 48.733 6.015 1.00 0.00 ATOM 949 O LEU 116 34.342 49.113 4.851 1.00 0.00 ATOM 950 C LEU 116 34.133 48.846 6.045 1.00 0.00 ATOM 951 N ILE 117 34.523 47.688 6.575 1.00 0.00 ATOM 952 CA ILE 117 35.197 46.622 5.858 1.00 0.00 ATOM 953 CB ILE 117 36.654 46.461 6.295 1.00 0.00 ATOM 954 CG1 ILE 117 37.462 47.715 5.994 1.00 0.00 ATOM 955 CG2 ILE 117 37.310 45.270 5.536 1.00 0.00 ATOM 956 CD1 ILE 117 38.969 47.619 6.339 1.00 0.00 ATOM 957 O ILE 117 34.201 45.004 7.280 1.00 0.00 ATOM 958 C ILE 117 34.430 45.348 6.121 1.00 0.00 ATOM 959 N ARG 118 34.007 44.647 5.066 1.00 0.00 ATOM 960 CA ARG 118 33.289 43.371 5.157 1.00 0.00 ATOM 961 CB ARG 118 31.976 43.491 4.371 1.00 0.00 ATOM 962 CG ARG 118 31.050 42.309 4.513 1.00 0.00 ATOM 963 CD ARG 118 29.737 42.494 3.688 1.00 0.00 ATOM 964 NE ARG 118 29.092 43.748 4.034 1.00 0.00 ATOM 965 CZ ARG 118 28.626 44.666 3.158 1.00 0.00 ATOM 966 NH1 ARG 118 28.585 44.460 1.830 1.00 0.00 ATOM 967 NH2 ARG 118 28.179 45.824 3.606 1.00 0.00 ATOM 968 O ARG 118 34.644 42.302 3.547 1.00 0.00 ATOM 969 C ARG 118 34.099 42.228 4.632 1.00 0.00 ATOM 970 N HIS 119 34.160 41.150 5.440 1.00 0.00 ATOM 971 CA HIS 119 34.921 39.958 5.151 1.00 0.00 ATOM 972 CB HIS 119 35.843 39.633 6.343 1.00 0.00 ATOM 973 CG HIS 119 36.865 40.684 6.688 1.00 0.00 ATOM 974 CD2 HIS 119 36.729 41.859 7.363 1.00 0.00 ATOM 975 ND1 HIS 119 38.214 40.546 6.395 1.00 0.00 ATOM 976 CE1 HIS 119 38.842 41.641 6.843 1.00 0.00 ATOM 977 NE2 HIS 119 37.977 42.419 7.467 1.00 0.00 ATOM 978 O HIS 119 33.022 38.627 5.665 1.00 0.00 ATOM 979 C HIS 119 34.048 38.744 4.976 1.00 0.00 ATOM 980 N LEU 120 34.491 37.817 4.140 1.00 0.00 ATOM 981 CA LEU 120 33.858 36.522 4.002 1.00 0.00 ATOM 982 CB LEU 120 33.473 36.324 2.528 1.00 0.00 ATOM 983 CG LEU 120 32.640 35.183 2.010 1.00 0.00 ATOM 984 CD1 LEU 120 31.353 35.018 2.822 1.00 0.00 ATOM 985 CD2 LEU 120 32.326 35.508 0.532 1.00 0.00 ATOM 986 O LEU 120 36.072 35.580 3.993 1.00 0.00 ATOM 987 C LEU 120 34.897 35.485 4.421 1.00 0.00 ATOM 988 N ALA 121 34.452 34.469 5.159 1.00 0.00 ATOM 989 CA ALA 121 35.329 33.330 5.457 1.00 0.00 ATOM 990 CB ALA 121 34.998 32.682 6.820 1.00 0.00 ATOM 991 O ALA 121 34.134 31.861 3.985 1.00 0.00 ATOM 992 C ALA 121 35.239 32.303 4.324 1.00 0.00 ATOM 993 N ILE 122 36.387 31.944 3.744 1.00 0.00 ATOM 994 CA ILE 122 36.472 30.881 2.750 1.00 0.00 ATOM 995 CB ILE 122 36.663 31.416 1.316 1.00 0.00 ATOM 996 CG1 ILE 122 38.015 32.117 1.164 1.00 0.00 ATOM 997 CG2 ILE 122 35.481 32.327 0.963 1.00 0.00 ATOM 998 CD1 ILE 122 38.277 32.695 -0.253 1.00 0.00 ATOM 999 O ILE 122 38.578 30.309 3.747 1.00 0.00 ATOM 1000 C ILE 122 37.594 29.943 3.101 1.00 0.00 ATOM 1001 N ASN 123 37.490 28.709 2.637 1.00 0.00 ATOM 1002 CA ASN 123 38.596 27.764 2.766 1.00 0.00 ATOM 1003 CB ASN 123 38.132 26.374 2.377 1.00 0.00 ATOM 1004 CG ASN 123 39.253 25.352 2.417 1.00 0.00 ATOM 1005 ND2 ASN 123 39.282 24.540 3.438 1.00 0.00 ATOM 1006 OD1 ASN 123 40.083 25.308 1.527 1.00 0.00 ATOM 1007 O ASN 123 39.457 28.569 0.678 1.00 0.00 ATOM 1008 C ASN 123 39.695 28.293 1.865 1.00 0.00 ATOM 1009 N ALA 124 40.908 28.412 2.397 1.00 0.00 ATOM 1010 CA ALA 124 41.967 29.029 1.623 1.00 0.00 ATOM 1011 CB ALA 124 43.237 29.272 2.521 1.00 0.00 ATOM 1012 O ALA 124 42.801 28.866 -0.604 1.00 0.00 ATOM 1013 C ALA 124 42.347 28.257 0.354 1.00 0.00 ATOM 1014 N GLN 125 42.130 26.934 0.319 1.00 0.00 ATOM 1015 CA GLN 125 42.505 26.157 -0.821 1.00 0.00 ATOM 1016 CB GLN 125 43.055 24.795 -0.363 1.00 0.00 ATOM 1017 CG GLN 125 44.353 24.917 0.418 1.00 0.00 ATOM 1018 CD GLN 125 44.970 23.573 0.811 1.00 0.00 ATOM 1019 OE1 GLN 125 44.529 22.501 0.423 1.00 0.00 ATOM 1020 NE2 GLN 125 46.009 23.642 1.595 1.00 0.00 ATOM 1021 O GLN 125 41.635 25.900 -2.981 1.00 0.00 ATOM 1022 C GLN 125 41.378 25.949 -1.795 1.00 0.00 ATOM 1023 N THR 126 40.150 25.802 -1.316 1.00 0.00 ATOM 1024 CA THR 126 39.014 25.530 -2.208 1.00 0.00 ATOM 1025 CB THR 126 37.949 24.600 -1.593 1.00 0.00 ATOM 1026 CG2 THR 126 38.535 23.294 -1.051 1.00 0.00 ATOM 1027 OG1 THR 126 37.295 25.283 -0.538 1.00 0.00 ATOM 1028 O THR 126 37.582 26.822 -3.649 1.00 0.00 ATOM 1029 C THR 126 38.284 26.797 -2.622 1.00 0.00 ATOM 1030 N ARG 127 38.460 27.829 -1.806 1.00 0.00 ATOM 1031 CA ARG 127 37.744 29.096 -1.904 1.00 0.00 ATOM 1032 CB ARG 127 38.119 29.849 -3.203 1.00 0.00 ATOM 1033 CG ARG 127 39.632 29.978 -3.407 1.00 0.00 ATOM 1034 CD ARG 127 40.162 31.375 -3.211 1.00 0.00 ATOM 1035 O ARG 127 35.510 29.911 -2.053 1.00 0.00 ATOM 1036 C ARG 127 36.241 28.972 -1.737 1.00 0.00 ATOM 1037 N HIS 128 35.760 27.867 -1.161 1.00 0.00 ATOM 1038 CA HIS 128 34.338 27.708 -0.796 1.00 0.00 ATOM 1039 CB HIS 128 33.939 26.235 -0.556 1.00 0.00 ATOM 1040 CG HIS 128 33.881 25.376 -1.784 1.00 0.00 ATOM 1041 CD2 HIS 128 34.666 25.308 -2.893 1.00 0.00 ATOM 1042 ND1 HIS 128 32.966 24.344 -1.902 1.00 0.00 ATOM 1043 CE1 HIS 128 33.161 23.710 -3.048 1.00 0.00 ATOM 1044 NE2 HIS 128 34.205 24.250 -3.656 1.00 0.00 ATOM 1045 O HIS 128 34.955 28.429 1.394 1.00 0.00 ATOM 1046 C HIS 128 34.109 28.442 0.507 1.00 0.00 ATOM 1047 N ARG 129 32.914 29.005 0.660 1.00 0.00 ATOM 1048 CA ARG 129 32.524 29.632 1.886 1.00 0.00 ATOM 1049 CB ARG 129 31.093 30.182 1.764 1.00 0.00 ATOM 1050 CG ARG 129 30.994 31.348 0.869 1.00 0.00 ATOM 1051 CD ARG 129 29.536 31.678 0.447 1.00 0.00 ATOM 1052 NE ARG 129 29.502 32.900 -0.373 1.00 0.00 ATOM 1053 CZ ARG 129 29.846 32.949 -1.663 1.00 0.00 ATOM 1054 NH1 ARG 129 30.288 31.860 -2.302 1.00 0.00 ATOM 1055 NH2 ARG 129 29.802 34.098 -2.325 1.00 0.00 ATOM 1056 O ARG 129 32.191 27.496 2.856 1.00 0.00 ATOM 1057 C ARG 129 32.587 28.647 3.019 1.00 0.00 ATOM 1058 N CYS 130 33.012 29.102 4.179 1.00 0.00 ATOM 1059 CA CYS 130 33.097 28.219 5.336 1.00 0.00 ATOM 1060 CB CYS 130 34.466 27.558 5.403 1.00 0.00 ATOM 1061 SG CYS 130 35.837 28.669 5.752 1.00 0.00 ATOM 1062 O CYS 130 32.637 30.196 6.593 1.00 0.00 ATOM 1063 C CYS 130 32.805 28.973 6.617 1.00 0.00 ATOM 1064 N ALA 131 32.785 28.274 7.741 1.00 0.00 ATOM 1065 CA ALA 131 32.553 28.969 9.009 1.00 0.00 ATOM 1066 CB ALA 131 32.264 27.963 10.102 1.00 0.00 ATOM 1067 O ALA 131 34.881 29.587 9.110 1.00 0.00 ATOM 1068 C ALA 131 33.716 29.855 9.422 1.00 0.00 ATOM 1069 N LEU 132 33.400 30.947 10.124 1.00 0.00 ATOM 1070 CA LEU 132 34.434 31.805 10.705 1.00 0.00 ATOM 1071 CB LEU 132 33.785 32.941 11.513 1.00 0.00 ATOM 1072 CG LEU 132 33.034 33.982 10.690 1.00 0.00 ATOM 1073 CD1 LEU 132 32.168 34.812 11.628 1.00 0.00 ATOM 1074 CD2 LEU 132 34.001 34.821 9.870 1.00 0.00 ATOM 1075 O LEU 132 34.932 30.071 12.315 1.00 0.00 ATOM 1076 C LEU 132 35.381 30.986 11.610 1.00 0.00 ATOM 1077 N PRO 133 36.688 31.306 11.599 1.00 0.00 ATOM 1078 CA PRO 133 37.594 30.648 12.540 1.00 0.00 ATOM 1079 CB PRO 133 38.934 31.338 12.301 1.00 0.00 ATOM 1080 CG PRO 133 38.857 31.930 10.992 1.00 0.00 ATOM 1081 CD PRO 133 37.414 32.304 10.804 1.00 0.00 ATOM 1082 O PRO 133 36.666 31.945 14.306 1.00 0.00 ATOM 1083 C PRO 133 37.168 30.896 13.972 1.00 0.00 ATOM 1084 N GLU 134 37.439 29.928 14.837 1.00 0.00 ATOM 1085 CA GLU 134 36.969 30.000 16.210 1.00 0.00 ATOM 1086 CB GLU 134 37.387 28.754 16.989 1.00 0.00 ATOM 1087 CG GLU 134 38.906 28.632 17.224 1.00 0.00 ATOM 1088 CD GLU 134 39.353 29.246 18.577 1.00 0.00 ATOM 1089 OE1 GLU 134 38.481 29.427 19.462 1.00 0.00 ATOM 1090 OE2 GLU 134 40.562 29.555 18.729 1.00 0.00 ATOM 1091 O GLU 134 36.733 31.805 17.696 1.00 0.00 ATOM 1092 C GLU 134 37.474 31.250 16.932 1.00 0.00 ATOM 1093 N GLY 135 38.715 31.664 16.711 1.00 0.00 ATOM 1094 CA GLY 135 39.256 32.838 17.392 1.00 0.00 ATOM 1095 O GLY 135 38.300 34.983 17.804 1.00 0.00 ATOM 1096 C GLY 135 38.547 34.101 16.982 1.00 0.00 ATOM 1097 N ILE 136 38.232 34.229 15.690 1.00 0.00 ATOM 1098 CA ILE 136 37.479 35.379 15.189 1.00 0.00 ATOM 1099 CB ILE 136 37.427 35.366 13.628 1.00 0.00 ATOM 1100 CG1 ILE 136 38.841 35.541 13.047 1.00 0.00 ATOM 1101 CG2 ILE 136 36.447 36.378 13.103 1.00 0.00 ATOM 1102 CD1 ILE 136 39.425 36.913 13.283 1.00 0.00 ATOM 1103 O ILE 136 35.559 36.407 16.241 1.00 0.00 ATOM 1104 C ILE 136 36.075 35.377 15.787 1.00 0.00 ATOM 1105 N ASP 137 35.456 34.186 15.926 1.00 0.00 ATOM 1106 CA ASP 137 34.167 34.095 16.568 1.00 0.00 ATOM 1107 CB ASP 137 33.622 32.689 16.450 1.00 0.00 ATOM 1108 CG ASP 137 32.484 32.576 15.446 1.00 0.00 ATOM 1109 OD1 ASP 137 31.921 33.612 15.017 1.00 0.00 ATOM 1110 OD2 ASP 137 32.143 31.416 15.099 1.00 0.00 ATOM 1111 O ASP 137 33.356 35.214 18.514 1.00 0.00 ATOM 1112 C ASP 137 34.224 34.509 18.041 1.00 0.00 ATOM 1113 N ARG 138 35.269 34.113 18.766 1.00 0.00 ATOM 1114 CA ARG 138 35.446 34.600 20.149 1.00 0.00 ATOM 1115 CB ARG 138 36.652 33.920 20.776 1.00 0.00 ATOM 1116 CG ARG 138 36.398 32.471 21.144 1.00 0.00 ATOM 1117 CD ARG 138 37.499 31.902 22.017 1.00 0.00 ATOM 1118 NE ARG 138 38.725 31.622 21.288 1.00 0.00 ATOM 1119 CZ ARG 138 39.904 32.198 21.506 1.00 0.00 ATOM 1120 NH1 ARG 138 40.051 33.153 22.427 1.00 0.00 ATOM 1121 NH2 ARG 138 40.946 31.811 20.765 1.00 0.00 ATOM 1122 O ARG 138 34.979 36.740 21.191 1.00 0.00 ATOM 1123 C ARG 138 35.587 36.119 20.288 1.00 0.00 ATOM 1124 N TRP 139 36.388 36.707 19.406 1.00 0.00 ATOM 1125 CA TRP 139 36.549 38.127 19.335 1.00 0.00 ATOM 1126 CB TRP 139 37.645 38.429 18.328 1.00 0.00 ATOM 1127 CG TRP 139 37.876 39.892 18.027 1.00 0.00 ATOM 1128 CD1 TRP 139 38.605 40.811 18.757 1.00 0.00 ATOM 1129 CD2 TRP 139 37.455 40.580 16.843 1.00 0.00 ATOM 1130 CE2 TRP 139 37.925 41.896 16.929 1.00 0.00 ATOM 1131 CE3 TRP 139 36.741 40.185 15.700 1.00 0.00 ATOM 1132 NE1 TRP 139 38.606 42.024 18.108 1.00 0.00 ATOM 1133 CZ2 TRP 139 37.673 42.842 15.925 1.00 0.00 ATOM 1134 CZ3 TRP 139 36.521 41.079 14.725 1.00 0.00 ATOM 1135 CH2 TRP 139 36.963 42.399 14.833 1.00 0.00 ATOM 1136 O TRP 139 34.943 39.842 19.658 1.00 0.00 ATOM 1137 C TRP 139 35.244 38.847 19.025 1.00 0.00 ATOM 1138 N LEU 140 34.495 38.386 18.030 1.00 0.00 ATOM 1139 CA LEU 140 33.185 38.959 17.703 1.00 0.00 ATOM 1140 CB LEU 140 32.570 38.246 16.500 1.00 0.00 ATOM 1141 CG LEU 140 33.247 38.512 15.179 1.00 0.00 ATOM 1142 CD1 LEU 140 32.749 37.569 14.089 1.00 0.00 ATOM 1143 CD2 LEU 140 33.034 39.961 14.738 1.00 0.00 ATOM 1144 O LEU 140 31.635 39.902 19.293 1.00 0.00 ATOM 1145 C LEU 140 32.260 38.895 18.912 1.00 0.00 ATOM 1146 N GLU 141 32.192 37.727 19.556 1.00 0.00 ATOM 1147 CA GLU 141 31.311 37.577 20.704 1.00 0.00 ATOM 1148 CB GLU 141 31.301 36.122 21.170 1.00 0.00 ATOM 1149 CG GLU 141 30.079 35.780 22.061 1.00 0.00 ATOM 1150 CD GLU 141 28.760 35.772 21.251 1.00 0.00 ATOM 1151 OE1 GLU 141 28.818 35.559 20.017 1.00 0.00 ATOM 1152 OE2 GLU 141 27.671 35.988 21.834 1.00 0.00 ATOM 1153 O GLU 141 30.848 39.179 22.458 1.00 0.00 ATOM 1154 C GLU 141 31.731 38.534 21.843 1.00 0.00 ATOM 1155 N ALA 142 33.033 38.617 22.132 1.00 0.00 ATOM 1156 CA ALA 142 33.551 39.423 23.243 1.00 0.00 ATOM 1157 CB ALA 142 35.042 39.126 23.515 1.00 0.00 ATOM 1158 O ALA 142 33.248 41.683 23.914 1.00 0.00 ATOM 1159 C ALA 142 33.325 40.894 22.989 1.00 0.00 ATOM 1160 N SER 143 33.245 41.268 21.712 1.00 0.00 ATOM 1161 CA SER 143 33.143 42.647 21.291 1.00 0.00 ATOM 1162 CB SER 143 33.836 42.836 19.943 1.00 0.00 ATOM 1163 OG SER 143 35.211 42.546 20.023 1.00 0.00 ATOM 1164 O SER 143 31.474 44.242 20.685 1.00 0.00 ATOM 1165 C SER 143 31.702 43.111 21.144 1.00 0.00 ATOM 1166 N GLY 144 30.746 42.231 21.463 1.00 0.00 ATOM 1167 CA GLY 144 29.308 42.560 21.381 1.00 0.00 ATOM 1168 O GLY 144 28.212 43.506 23.316 1.00 0.00 ATOM 1169 C GLY 144 28.895 43.713 22.289 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_132697790.pdb -s /var/tmp/to_scwrl_132697790.seq -o /var/tmp/from_scwrl_132697790.pdb > /var/tmp/scwrl_132697790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132697790.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 143 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -75.694 # GDT_score(maxd=8.000,maxw=2.900)= -79.321 # GDT_score(maxd=8.000,maxw=3.200)= -75.597 # GDT_score(maxd=8.000,maxw=3.500)= -71.533 # GDT_score(maxd=10.000,maxw=3.800)= -74.074 # GDT_score(maxd=10.000,maxw=4.000)= -71.430 # GDT_score(maxd=10.000,maxw=4.200)= -68.886 # GDT_score(maxd=12.000,maxw=4.300)= -72.686 # GDT_score(maxd=12.000,maxw=4.500)= -70.230 # GDT_score(maxd=12.000,maxw=4.700)= -67.874 # GDT_score(maxd=14.000,maxw=5.200)= -66.228 # GDT_score(maxd=14.000,maxw=5.500)= -63.117 # command:# request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_600045991.pdb -s /var/tmp/to_scwrl_600045991.seq -o /var/tmp/from_scwrl_600045991.pdb > /var/tmp/scwrl_600045991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_600045991.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 150 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -75.174 # GDT_score(maxd=8.000,maxw=2.900)= -79.212 # GDT_score(maxd=8.000,maxw=3.200)= -75.607 # GDT_score(maxd=8.000,maxw=3.500)= -71.510 # GDT_score(maxd=10.000,maxw=3.800)= -74.070 # GDT_score(maxd=10.000,maxw=4.000)= -71.449 # GDT_score(maxd=10.000,maxw=4.200)= -68.900 # GDT_score(maxd=12.000,maxw=4.300)= -72.701 # GDT_score(maxd=12.000,maxw=4.500)= -70.246 # GDT_score(maxd=12.000,maxw=4.700)= -67.907 # GDT_score(maxd=14.000,maxw=5.200)= -66.251 # GDT_score(maxd=14.000,maxw=5.500)= -63.185 # command:# request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_600129858.pdb -s /var/tmp/to_scwrl_600129858.seq -o /var/tmp/from_scwrl_600129858.pdb > /var/tmp/scwrl_600129858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_600129858.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 109 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -74.826 # GDT_score(maxd=8.000,maxw=2.900)= -77.775 # GDT_score(maxd=8.000,maxw=3.200)= -74.456 # GDT_score(maxd=8.000,maxw=3.500)= -70.630 # GDT_score(maxd=10.000,maxw=3.800)= -73.301 # GDT_score(maxd=10.000,maxw=4.000)= -70.848 # GDT_score(maxd=10.000,maxw=4.200)= -68.387 # GDT_score(maxd=12.000,maxw=4.300)= -72.207 # GDT_score(maxd=12.000,maxw=4.500)= -69.814 # GDT_score(maxd=12.000,maxw=4.700)= -67.468 # GDT_score(maxd=14.000,maxw=5.200)= -65.838 # GDT_score(maxd=14.000,maxw=5.500)= -62.739 # command:# request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1171788900.pdb -s /var/tmp/to_scwrl_1171788900.seq -o /var/tmp/from_scwrl_1171788900.pdb > /var/tmp/scwrl_1171788900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171788900.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.875 # GDT_score = -70.660 # GDT_score(maxd=8.000,maxw=2.900)= -73.993 # GDT_score(maxd=8.000,maxw=3.200)= -70.874 # GDT_score(maxd=8.000,maxw=3.500)= -67.246 # GDT_score(maxd=10.000,maxw=3.800)= -69.195 # GDT_score(maxd=10.000,maxw=4.000)= -66.837 # GDT_score(maxd=10.000,maxw=4.200)= -64.497 # GDT_score(maxd=12.000,maxw=4.300)= -67.690 # GDT_score(maxd=12.000,maxw=4.500)= -65.443 # GDT_score(maxd=12.000,maxw=4.700)= -63.273 # GDT_score(maxd=14.000,maxw=5.200)= -61.594 # GDT_score(maxd=14.000,maxw=5.500)= -58.816 # command:# request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1212326713.pdb -s /var/tmp/to_scwrl_1212326713.seq -o /var/tmp/from_scwrl_1212326713.pdb > /var/tmp/scwrl_1212326713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1212326713.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 T0362.try1-opt2.pdb looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -74.826 # GDT_score(maxd=8.000,maxw=2.900)= -77.781 # GDT_score(maxd=8.000,maxw=3.200)= -74.358 # GDT_score(maxd=8.000,maxw=3.500)= -70.487 # GDT_score(maxd=10.000,maxw=3.800)= -73.153 # GDT_score(maxd=10.000,maxw=4.000)= -70.684 # GDT_score(maxd=10.000,maxw=4.200)= -68.237 # GDT_score(maxd=12.000,maxw=4.300)= -72.050 # GDT_score(maxd=12.000,maxw=4.500)= -69.672 # GDT_score(maxd=12.000,maxw=4.700)= -67.344 # GDT_score(maxd=14.000,maxw=5.200)= -65.797 # GDT_score(maxd=14.000,maxw=5.500)= -62.655 # command:# Prefix for output files set to # command:EXPDTA T0362.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0362.try1-opt2.pdb ATOM 1 N MET A 1 28.734 48.879 26.166 1.00 0.00 ATOM 2 CA MET A 1 29.444 50.165 26.408 1.00 0.00 ATOM 3 CB MET A 1 29.947 50.237 27.852 1.00 0.00 ATOM 4 CG MET A 1 28.846 50.416 28.885 1.00 0.00 ATOM 5 SD MET A 1 29.487 50.595 30.560 1.00 0.00 ATOM 6 CE MET A 1 27.965 50.782 31.486 1.00 0.00 ATOM 7 O MET A 1 31.083 49.252 24.932 1.00 0.00 ATOM 8 C MET A 1 30.626 50.263 25.464 1.00 0.00 ATOM 9 N ASN A 2 31.101 51.492 25.242 1.00 0.00 ATOM 10 CA ASN A 2 32.295 51.684 24.434 1.00 0.00 ATOM 11 CB ASN A 2 32.661 53.168 24.364 1.00 0.00 ATOM 12 CG ASN A 2 31.716 53.961 23.484 1.00 0.00 ATOM 13 ND2 ASN A 2 31.692 55.275 23.678 1.00 0.00 ATOM 14 OD1 ASN A 2 31.018 53.398 22.641 1.00 0.00 ATOM 15 O ASN A 2 34.210 50.338 24.202 1.00 0.00 ATOM 16 C ASN A 2 33.501 50.948 24.985 1.00 0.00 ATOM 17 N PRO A 3 33.786 50.921 26.268 1.00 0.00 ATOM 18 CA PRO A 3 34.959 50.182 26.761 1.00 0.00 ATOM 19 CB PRO A 3 35.039 50.563 28.242 1.00 0.00 ATOM 20 CG PRO A 3 33.643 50.940 28.606 1.00 0.00 ATOM 21 CD PRO A 3 33.055 51.594 27.386 1.00 0.00 ATOM 22 O PRO A 3 35.785 47.951 26.526 1.00 0.00 ATOM 23 C PRO A 3 34.793 48.678 26.589 1.00 0.00 ATOM 24 N GLU A 4 33.541 48.231 26.515 1.00 0.00 ATOM 25 CA GLU A 4 33.219 46.811 26.426 1.00 0.00 ATOM 26 CB GLU A 4 31.785 46.555 26.895 1.00 0.00 ATOM 27 CG GLU A 4 31.569 46.789 28.382 1.00 0.00 ATOM 28 CD GLU A 4 30.133 46.547 28.806 1.00 0.00 ATOM 29 OE1 GLU A 4 29.308 46.198 27.936 1.00 0.00 ATOM 30 OE2 GLU A 4 29.835 46.707 30.007 1.00 0.00 ATOM 31 O GLU A 4 34.039 45.353 24.709 1.00 0.00 ATOM 32 C GLU A 4 33.366 46.350 24.979 1.00 0.00 ATOM 33 N ASN A 5 32.746 47.077 24.053 1.00 0.00 ATOM 34 CA ASN A 5 32.681 46.627 22.667 1.00 0.00 ATOM 35 CB ASN A 5 31.224 46.413 22.254 1.00 0.00 ATOM 36 CG ASN A 5 30.548 45.311 23.045 1.00 0.00 ATOM 37 ND2 ASN A 5 29.608 45.689 23.901 1.00 0.00 ATOM 38 OD1 ASN A 5 30.872 44.133 22.888 1.00 0.00 ATOM 39 O ASN A 5 33.287 47.221 20.412 1.00 0.00 ATOM 40 C ASN A 5 33.265 47.560 21.599 1.00 0.00 ATOM 41 N TRP A 6 33.760 48.724 22.004 1.00 0.00 ATOM 42 CA TRP A 6 34.501 49.591 21.088 1.00 0.00 ATOM 43 CB TRP A 6 34.000 51.033 21.190 1.00 0.00 ATOM 44 CG TRP A 6 32.603 51.220 20.684 1.00 0.00 ATOM 45 CD1 TRP A 6 31.449 51.119 21.407 1.00 0.00 ATOM 46 CD2 TRP A 6 32.211 51.540 19.343 1.00 0.00 ATOM 47 CE2 TRP A 6 30.804 51.618 19.328 1.00 0.00 ATOM 48 CE3 TRP A 6 32.911 51.769 18.155 1.00 0.00 ATOM 49 NE1 TRP A 6 30.361 51.357 20.600 1.00 0.00 ATOM 50 CZ2 TRP A 6 30.085 51.915 18.171 1.00 0.00 ATOM 51 CZ3 TRP A 6 32.195 52.064 17.012 1.00 0.00 ATOM 52 CH2 TRP A 6 30.798 52.134 17.024 1.00 0.00 ATOM 53 O TRP A 6 36.416 50.014 22.475 1.00 0.00 ATOM 54 C TRP A 6 35.998 49.593 21.398 1.00 0.00 ATOM 55 N LEU A 7 36.797 49.131 20.441 1.00 0.00 ATOM 56 CA LEU A 7 38.245 49.082 20.604 1.00 0.00 ATOM 57 CB LEU A 7 38.824 47.859 19.891 1.00 0.00 ATOM 58 CG LEU A 7 38.341 46.494 20.386 1.00 0.00 ATOM 59 CD1 LEU A 7 38.921 45.377 19.534 1.00 0.00 ATOM 60 CD2 LEU A 7 38.767 46.264 21.827 1.00 0.00 ATOM 61 O LEU A 7 38.473 50.770 18.912 1.00 0.00 ATOM 62 C LEU A 7 38.853 50.348 20.005 1.00 0.00 ATOM 63 N LEU A 8 39.784 50.962 20.727 1.00 0.00 ATOM 64 CA LEU A 8 40.426 52.188 20.257 1.00 0.00 ATOM 65 CB LEU A 8 40.212 53.323 21.259 1.00 0.00 ATOM 66 CG LEU A 8 38.760 53.716 21.540 1.00 0.00 ATOM 67 CD1 LEU A 8 38.690 54.760 22.644 1.00 0.00 ATOM 68 CD2 LEU A 8 38.111 54.297 20.294 1.00 0.00 ATOM 69 O LEU A 8 42.543 51.418 20.978 1.00 0.00 ATOM 70 C LEU A 8 41.899 51.955 20.095 1.00 0.00 ATOM 71 N LEU A 9 42.389 52.405 18.845 1.00 0.00 ATOM 72 CA LEU A 9 43.813 52.298 18.545 1.00 0.00 ATOM 73 CB LEU A 9 43.986 51.244 17.449 1.00 0.00 ATOM 74 CG LEU A 9 45.419 50.978 16.986 1.00 0.00 ATOM 75 CD1 LEU A 9 46.256 50.415 18.125 1.00 0.00 ATOM 76 CD2 LEU A 9 45.437 49.974 15.843 1.00 0.00 ATOM 77 O LEU A 9 43.948 54.210 17.105 1.00 0.00 ATOM 78 C LEU A 9 44.430 53.606 18.058 1.00 0.00 ATOM 79 N ARG A 10 45.490 54.078 18.731 1.00 0.00 ATOM 80 CA ARG A 10 46.145 55.327 18.328 1.00 0.00 ATOM 81 CB ARG A 10 46.633 56.077 19.605 1.00 0.00 ATOM 82 CG ARG A 10 45.585 56.397 20.640 1.00 0.00 ATOM 83 CD ARG A 10 44.639 57.466 20.141 1.00 0.00 ATOM 84 NE ARG A 10 43.766 57.944 21.207 1.00 0.00 ATOM 85 CZ ARG A 10 42.816 58.858 21.042 1.00 0.00 ATOM 86 NH1 ARG A 10 42.608 59.398 19.847 1.00 0.00 ATOM 87 NH2 ARG A 10 42.076 59.239 22.074 1.00 0.00 ATOM 88 O ARG A 10 48.025 54.324 17.253 1.00 0.00 ATOM 89 C ARG A 10 47.206 55.213 17.212 1.00 0.00 ATOM 90 N ARG A 11 47.161 56.128 16.270 1.00 0.00 ATOM 91 CA ARG A 11 48.089 56.106 15.138 1.00 0.00 ATOM 92 CB ARG A 11 47.999 55.399 14.050 1.00 0.00 ATOM 93 CG ARG A 11 49.380 55.017 13.398 1.00 0.00 ATOM 94 CD ARG A 11 49.912 53.518 13.397 1.00 0.00 ATOM 95 NE ARG A 11 48.910 52.425 13.295 1.00 0.00 ATOM 96 CZ ARG A 11 48.843 51.286 14.022 1.00 0.00 ATOM 97 NH1 ARG A 11 49.715 50.972 14.972 1.00 0.00 ATOM 98 NH2 ARG A 11 47.842 50.441 13.777 1.00 0.00 ATOM 99 O ARG A 11 47.910 58.473 14.768 1.00 0.00 ATOM 100 C ARG A 11 48.653 57.499 14.885 1.00 0.00 ATOM 101 N VAL A 12 49.863 57.683 14.601 1.00 0.00 ATOM 102 CA VAL A 12 50.520 58.959 14.358 1.00 0.00 ATOM 103 CB VAL A 12 51.904 59.018 15.031 1.00 0.00 ATOM 104 CG1 VAL A 12 52.601 60.328 14.700 1.00 0.00 ATOM 105 CG2 VAL A 12 51.766 58.914 16.543 1.00 0.00 ATOM 106 O VAL A 12 51.184 58.237 12.176 1.00 0.00 ATOM 107 C VAL A 12 50.721 59.153 12.855 1.00 0.00 ATOM 108 N VAL A 13 50.357 60.321 12.335 1.00 0.00 ATOM 109 CA VAL A 13 50.517 60.590 10.907 1.00 0.00 ATOM 110 CB VAL A 13 49.557 61.714 10.474 1.00 0.00 ATOM 111 CG1 VAL A 13 49.732 62.023 8.995 1.00 0.00 ATOM 112 CG2 VAL A 13 48.112 61.300 10.711 1.00 0.00 ATOM 113 O VAL A 13 52.456 61.984 11.128 1.00 0.00 ATOM 114 C VAL A 13 51.933 61.028 10.551 1.00 0.00 ATOM 115 N ARG A 14 52.545 60.325 9.602 1.00 0.00 ATOM 116 CA ARG A 14 53.905 60.622 9.147 1.00 0.00 ATOM 117 CB ARG A 14 54.787 59.375 9.244 1.00 0.00 ATOM 118 CG ARG A 14 54.939 58.830 10.654 1.00 0.00 ATOM 119 CD ARG A 14 55.772 57.558 10.668 1.00 0.00 ATOM 120 NE ARG A 14 56.105 57.139 12.027 1.00 0.00 ATOM 121 CZ ARG A 14 55.335 56.358 12.778 1.00 0.00 ATOM 122 NH1 ARG A 14 55.721 56.028 14.003 1.00 0.00 ATOM 123 NH2 ARG A 14 54.181 55.911 12.304 1.00 0.00 ATOM 124 O ARG A 14 52.870 61.051 7.030 1.00 0.00 ATOM 125 C ARG A 14 53.894 61.100 7.699 1.00 0.00 ATOM 126 N PHE A 15 55.030 61.685 7.100 1.00 0.00 ATOM 127 CA PHE A 15 55.026 62.188 5.735 1.00 0.00 ATOM 128 CB PHE A 15 56.436 62.579 5.292 1.00 0.00 ATOM 129 CG PHE A 15 56.512 63.071 3.874 1.00 0.00 ATOM 130 CD1 PHE A 15 56.182 64.379 3.561 1.00 0.00 ATOM 131 CD2 PHE A 15 56.913 62.227 2.853 1.00 0.00 ATOM 132 CE1 PHE A 15 56.251 64.832 2.257 1.00 0.00 ATOM 133 CE2 PHE A 15 56.984 62.680 1.549 1.00 0.00 ATOM 134 CZ PHE A 15 56.653 63.975 1.249 1.00 0.00 ATOM 135 O PHE A 15 53.787 61.509 3.783 1.00 0.00 ATOM 136 C PHE A 15 54.508 61.156 4.730 1.00 0.00 ATOM 137 N GLY A 16 54.877 59.877 4.953 1.00 0.00 ATOM 138 CA GLY A 16 54.448 58.805 4.062 1.00 0.00 ATOM 139 O GLY A 16 52.430 58.175 2.914 1.00 0.00 ATOM 140 C GLY A 16 52.924 58.702 3.914 1.00 0.00 ATOM 141 N ASP A 17 52.191 59.204 4.907 1.00 0.00 ATOM 142 CA ASP A 17 50.728 59.141 4.917 1.00 0.00 ATOM 143 CB ASP A 17 50.204 59.056 6.353 1.00 0.00 ATOM 144 CG ASP A 17 50.634 57.782 7.054 1.00 0.00 ATOM 145 OD1 ASP A 17 50.494 56.697 6.454 1.00 0.00 ATOM 146 OD2 ASP A 17 51.113 57.871 8.205 1.00 0.00 ATOM 147 O ASP A 17 48.847 60.303 3.974 1.00 0.00 ATOM 148 C ASP A 17 50.043 60.346 4.265 1.00 0.00 ATOM 149 N THR A 18 50.806 61.411 4.042 1.00 0.00 ATOM 150 CA THR A 18 50.273 62.640 3.463 1.00 0.00 ATOM 151 CB THR A 18 50.927 63.883 4.098 1.00 0.00 ATOM 152 CG2 THR A 18 50.774 63.850 5.610 1.00 0.00 ATOM 153 OG1 THR A 18 52.322 63.910 3.773 1.00 0.00 ATOM 154 O THR A 18 51.281 61.983 1.390 1.00 0.00 ATOM 155 C THR A 18 50.501 62.747 1.958 1.00 0.00 ATOM 156 N ASP A 19 49.815 63.694 1.323 1.00 0.00 ATOM 157 CA ASP A 19 49.986 63.939 -0.107 1.00 0.00 ATOM 158 CB ASP A 19 48.745 63.490 -0.881 1.00 0.00 ATOM 159 CG ASP A 19 47.503 64.267 -0.491 1.00 0.00 ATOM 160 OD1 ASP A 19 47.633 65.262 0.251 1.00 0.00 ATOM 161 OD2 ASP A 19 46.399 63.878 -0.928 1.00 0.00 ATOM 162 O ASP A 19 50.126 66.245 0.549 1.00 0.00 ATOM 163 C ASP A 19 50.188 65.431 -0.372 1.00 0.00 ATOM 164 N ALA A 20 50.420 65.762 -1.623 1.00 0.00 ATOM 165 CA ALA A 20 50.673 67.143 -2.017 1.00 0.00 ATOM 166 CB ALA A 20 50.798 67.249 -3.529 1.00 0.00 ATOM 167 O ALA A 20 49.860 69.356 -1.591 1.00 0.00 ATOM 168 C ALA A 20 49.599 68.149 -1.615 1.00 0.00 ATOM 169 N ALA A 21 48.402 67.659 -1.302 1.00 0.00 ATOM 170 CA ALA A 21 47.325 68.542 -0.894 1.00 0.00 ATOM 171 CB ALA A 21 45.995 67.804 -0.919 1.00 0.00 ATOM 172 O ALA A 21 46.872 69.998 0.958 1.00 0.00 ATOM 173 C ALA A 21 47.545 69.063 0.513 1.00 0.00 ATOM 174 N GLY A 22 48.489 68.450 1.221 1.00 0.00 ATOM 175 CA GLY A 22 48.798 68.866 2.577 1.00 0.00 ATOM 176 O GLY A 22 48.164 68.533 4.863 1.00 0.00 ATOM 177 C GLY A 22 48.073 68.126 3.692 1.00 0.00 ATOM 178 N VAL A 23 47.308 67.148 3.320 1.00 0.00 ATOM 179 CA VAL A 23 46.551 66.293 4.252 1.00 0.00 ATOM 180 CB VAL A 23 45.044 66.573 4.108 1.00 0.00 ATOM 181 CG1 VAL A 23 44.742 68.035 4.403 1.00 0.00 ATOM 182 CG2 VAL A 23 44.579 66.262 2.693 1.00 0.00 ATOM 183 O VAL A 23 47.704 64.456 3.212 1.00 0.00 ATOM 184 C VAL A 23 46.881 64.818 4.057 1.00 0.00 ATOM 185 N MET A 24 46.212 63.911 4.874 1.00 0.00 ATOM 186 CA MET A 24 46.439 62.477 4.724 1.00 0.00 ATOM 187 CB MET A 24 45.686 61.746 5.589 1.00 0.00 ATOM 188 CG MET A 24 44.519 62.248 6.422 1.00 0.00 ATOM 189 SD MET A 24 43.601 60.885 7.157 1.00 0.00 ATOM 190 CE MET A 24 42.251 60.750 5.996 1.00 0.00 ATOM 191 O MET A 24 44.651 62.429 3.125 1.00 0.00 ATOM 192 C MET A 24 45.761 62.005 3.437 1.00 0.00 ATOM 193 N HIS A 25 46.454 61.154 2.683 1.00 0.00 ATOM 194 CA HIS A 25 45.943 60.601 1.423 1.00 0.00 ATOM 195 CB HIS A 25 47.007 59.733 0.748 1.00 0.00 ATOM 196 CG HIS A 25 46.670 59.349 -0.659 1.00 0.00 ATOM 197 CD2 HIS A 25 47.073 59.799 -1.983 1.00 0.00 ATOM 198 ND1 HIS A 25 45.779 58.343 -0.962 1.00 0.00 ATOM 199 CE1 HIS A 25 45.684 58.231 -2.299 1.00 0.00 ATOM 200 NE2 HIS A 25 46.457 59.102 -2.918 1.00 0.00 ATOM 201 O HIS A 25 44.667 59.341 3.037 1.00 0.00 ATOM 202 C HIS A 25 44.729 59.787 1.894 1.00 0.00 ATOM 203 N PHE A 26 43.677 59.779 1.076 1.00 0.00 ATOM 204 CA PHE A 26 42.484 58.994 1.358 1.00 0.00 ATOM 205 CB PHE A 26 41.439 59.191 0.258 1.00 0.00 ATOM 206 CG PHE A 26 40.818 60.560 0.250 1.00 0.00 ATOM 207 CD1 PHE A 26 40.957 61.404 1.338 1.00 0.00 ATOM 208 CD2 PHE A 26 40.092 61.000 -0.842 1.00 0.00 ATOM 209 CE1 PHE A 26 40.385 62.662 1.333 1.00 0.00 ATOM 210 CE2 PHE A 26 39.520 62.258 -0.848 1.00 0.00 ATOM 211 CZ PHE A 26 39.664 63.088 0.233 1.00 0.00 ATOM 212 O PHE A 26 42.142 56.818 2.370 1.00 0.00 ATOM 213 C PHE A 26 42.725 57.473 1.498 1.00 0.00 ATOM 214 N HIS A 27 43.589 56.924 0.659 1.00 0.00 ATOM 215 CA HIS A 27 43.898 55.508 0.737 1.00 0.00 ATOM 216 CB HIS A 27 44.705 55.054 -0.481 1.00 0.00 ATOM 217 CG HIS A 27 43.923 55.050 -1.756 1.00 0.00 ATOM 218 CD2 HIS A 27 42.527 55.250 -2.120 1.00 0.00 ATOM 219 ND1 HIS A 27 44.503 54.819 -2.986 1.00 0.00 ATOM 220 CE1 HIS A 27 43.554 54.878 -3.936 1.00 0.00 ATOM 221 NE2 HIS A 27 42.366 55.136 -3.424 1.00 0.00 ATOM 222 O HIS A 27 44.552 54.049 2.456 1.00 0.00 ATOM 223 C HIS A 27 44.681 55.166 1.985 1.00 0.00 ATOM 224 N GLN A 28 45.463 56.151 2.544 1.00 0.00 ATOM 225 CA GLN A 28 46.196 55.851 3.781 1.00 0.00 ATOM 226 CB GLN A 28 47.037 57.075 4.146 1.00 0.00 ATOM 227 CG GLN A 28 48.139 57.391 3.148 1.00 0.00 ATOM 228 CD GLN A 28 49.142 56.262 3.010 1.00 0.00 ATOM 229 OE1 GLN A 28 49.596 55.697 4.004 1.00 0.00 ATOM 230 NE2 GLN A 28 49.490 55.931 1.771 1.00 0.00 ATOM 231 O GLN A 28 45.614 54.700 5.800 1.00 0.00 ATOM 232 C GLN A 28 45.278 55.525 4.951 1.00 0.00 ATOM 233 N LEU A 29 44.119 56.174 4.997 1.00 0.00 ATOM 234 CA LEU A 29 43.166 55.909 6.067 1.00 0.00 ATOM 235 CB LEU A 29 41.954 56.833 5.945 1.00 0.00 ATOM 236 CG LEU A 29 40.875 56.680 7.018 1.00 0.00 ATOM 237 CD1 LEU A 29 41.440 56.985 8.397 1.00 0.00 ATOM 238 CD2 LEU A 29 39.718 57.634 6.758 1.00 0.00 ATOM 239 O LEU A 29 42.390 53.849 6.995 1.00 0.00 ATOM 240 C LEU A 29 42.674 54.472 5.986 1.00 0.00 ATOM 241 N PHE A 30 42.584 53.955 4.751 1.00 0.00 ATOM 242 CA PHE A 30 42.161 52.580 4.531 1.00 0.00 ATOM 243 CB PHE A 30 42.195 52.209 3.114 1.00 0.00 ATOM 244 CG PHE A 30 41.633 50.830 2.844 1.00 0.00 ATOM 245 CD1 PHE A 30 40.248 50.607 2.940 1.00 0.00 ATOM 246 CD2 PHE A 30 42.478 49.774 2.486 1.00 0.00 ATOM 247 CE1 PHE A 30 39.728 49.351 2.673 1.00 0.00 ATOM 248 CE2 PHE A 30 41.978 48.503 2.224 1.00 0.00 ATOM 249 CZ PHE A 30 40.608 48.288 2.311 1.00 0.00 ATOM 250 O PHE A 30 42.807 50.691 5.873 1.00 0.00 ATOM 251 C PHE A 30 43.175 51.658 5.205 1.00 0.00 ATOM 252 N ARG A 31 44.459 51.965 5.049 1.00 0.00 ATOM 253 CA ARG A 31 45.491 51.159 5.679 1.00 0.00 ATOM 254 CB ARG A 31 46.880 51.629 5.242 1.00 0.00 ATOM 255 CG ARG A 31 47.220 51.305 3.796 1.00 0.00 ATOM 256 CD ARG A 31 48.578 51.869 3.410 1.00 0.00 ATOM 257 NE ARG A 31 48.917 51.571 2.020 1.00 0.00 ATOM 258 CZ ARG A 31 50.010 52.014 1.406 1.00 0.00 ATOM 259 NH1 ARG A 31 50.236 51.691 0.141 1.00 0.00 ATOM 260 NH2 ARG A 31 50.874 52.778 2.060 1.00 0.00 ATOM 261 O ARG A 31 45.531 50.285 7.906 1.00 0.00 ATOM 262 C ARG A 31 45.385 51.277 7.201 1.00 0.00 ATOM 263 N TRP A 32 45.124 52.483 7.709 1.00 0.00 ATOM 264 CA TRP A 32 45.002 52.668 9.158 1.00 0.00 ATOM 265 CB TRP A 32 44.876 54.196 9.503 1.00 0.00 ATOM 266 CG TRP A 32 46.083 55.087 9.159 1.00 0.00 ATOM 267 CD1 TRP A 32 47.333 54.563 8.914 1.00 0.00 ATOM 268 CD2 TRP A 32 46.075 56.468 9.040 1.00 0.00 ATOM 269 CE2 TRP A 32 47.402 56.740 8.704 1.00 0.00 ATOM 270 CE3 TRP A 32 45.168 57.498 9.163 1.00 0.00 ATOM 271 NE1 TRP A 32 48.101 55.597 8.629 1.00 0.00 ATOM 272 CZ2 TRP A 32 47.879 58.020 8.481 1.00 0.00 ATOM 273 CZ3 TRP A 32 45.636 58.786 8.956 1.00 0.00 ATOM 274 CH2 TRP A 32 46.961 59.032 8.600 1.00 0.00 ATOM 275 O TRP A 32 43.993 51.208 10.777 1.00 0.00 ATOM 276 C TRP A 32 43.874 51.790 9.696 1.00 0.00 ATOM 277 N CYS A 33 42.772 51.712 8.951 1.00 0.00 ATOM 278 CA CYS A 33 41.642 50.888 9.372 1.00 0.00 ATOM 279 CB CYS A 33 40.489 51.010 8.375 1.00 0.00 ATOM 280 SG CYS A 33 38.992 50.111 8.847 1.00 0.00 ATOM 281 O CYS A 33 41.699 48.726 10.409 1.00 0.00 ATOM 282 C CYS A 33 42.070 49.431 9.469 1.00 0.00 ATOM 283 N HIS A 34 42.853 48.979 8.496 1.00 0.00 ATOM 284 CA HIS A 34 43.330 47.599 8.502 1.00 0.00 ATOM 285 CB HIS A 34 44.142 47.309 7.238 1.00 0.00 ATOM 286 CG HIS A 34 44.625 45.895 7.143 1.00 0.00 ATOM 287 CD2 HIS A 34 45.919 45.231 7.226 1.00 0.00 ATOM 288 ND1 HIS A 34 43.776 44.831 6.926 1.00 0.00 ATOM 289 CE1 HIS A 34 44.497 43.695 6.890 1.00 0.00 ATOM 290 NE2 HIS A 34 45.784 43.928 7.068 1.00 0.00 ATOM 291 O HIS A 34 44.085 46.321 10.392 1.00 0.00 ATOM 292 C HIS A 34 44.213 47.347 9.727 1.00 0.00 ATOM 293 N GLU A 35 45.116 48.278 10.021 1.00 0.00 ATOM 294 CA GLU A 35 45.981 48.122 11.188 1.00 0.00 ATOM 295 CB GLU A 35 47.190 49.101 11.138 1.00 0.00 ATOM 296 CG GLU A 35 48.341 48.754 10.215 1.00 0.00 ATOM 297 CD GLU A 35 49.244 49.944 9.935 1.00 0.00 ATOM 298 OE1 GLU A 35 50.137 49.884 9.078 1.00 0.00 ATOM 299 OE2 GLU A 35 48.984 51.062 10.621 1.00 0.00 ATOM 300 O GLU A 35 45.462 47.287 13.378 1.00 0.00 ATOM 301 C GLU A 35 45.147 48.048 12.463 1.00 0.00 ATOM 302 N SER A 36 44.079 48.823 12.520 1.00 0.00 ATOM 303 CA SER A 36 43.206 48.817 13.689 1.00 0.00 ATOM 304 CB SER A 36 42.127 49.897 13.582 1.00 0.00 ATOM 305 OG SER A 36 41.257 49.860 14.701 1.00 0.00 ATOM 306 O SER A 36 42.380 46.974 14.958 1.00 0.00 ATOM 307 C SER A 36 42.494 47.482 13.848 1.00 0.00 ATOM 308 N TRP A 37 42.013 46.910 12.746 1.00 0.00 ATOM 309 CA TRP A 37 41.335 45.620 12.821 1.00 0.00 ATOM 310 CB TRP A 37 40.775 45.216 11.433 1.00 0.00 ATOM 311 CG TRP A 37 40.377 43.786 11.387 1.00 0.00 ATOM 312 CD1 TRP A 37 40.939 42.836 10.575 1.00 0.00 ATOM 313 CD2 TRP A 37 39.356 43.099 12.152 1.00 0.00 ATOM 314 CE2 TRP A 37 39.393 41.745 11.770 1.00 0.00 ATOM 315 CE3 TRP A 37 38.457 43.502 13.136 1.00 0.00 ATOM 316 NE1 TRP A 37 40.377 41.603 10.797 1.00 0.00 ATOM 317 CZ2 TRP A 37 38.543 40.791 12.326 1.00 0.00 ATOM 318 CZ3 TRP A 37 37.607 42.547 13.679 1.00 0.00 ATOM 319 CH2 TRP A 37 37.654 41.222 13.263 1.00 0.00 ATOM 320 O TRP A 37 41.886 43.737 14.220 1.00 0.00 ATOM 321 C TRP A 37 42.298 44.584 13.395 1.00 0.00 ATOM 322 N GLU A 38 43.591 44.683 13.023 1.00 0.00 ATOM 323 CA GLU A 38 44.609 43.752 13.513 1.00 0.00 ATOM 324 CB GLU A 38 45.942 44.002 12.807 1.00 0.00 ATOM 325 CG GLU A 38 45.958 43.583 11.346 1.00 0.00 ATOM 326 CD GLU A 38 47.251 43.958 10.646 1.00 0.00 ATOM 327 OE1 GLU A 38 48.102 44.612 11.285 1.00 0.00 ATOM 328 OE2 GLU A 38 47.411 43.598 9.462 1.00 0.00 ATOM 329 O GLU A 38 44.993 42.779 15.674 1.00 0.00 ATOM 330 C GLU A 38 44.878 43.819 15.011 1.00 0.00 ATOM 331 N GLU A 39 44.977 45.018 15.568 1.00 0.00 ATOM 332 CA GLU A 39 45.240 45.161 16.998 1.00 0.00 ATOM 333 CB GLU A 39 45.631 46.695 17.131 1.00 0.00 ATOM 334 CG GLU A 39 45.914 47.134 18.546 1.00 0.00 ATOM 335 CD GLU A 39 47.357 47.270 18.810 1.00 0.00 ATOM 336 OE1 GLU A 39 48.160 46.526 18.187 1.00 0.00 ATOM 337 OE2 GLU A 39 47.659 48.140 19.640 1.00 0.00 ATOM 338 O GLU A 39 44.342 44.169 18.977 1.00 0.00 ATOM 339 C GLU A 39 44.104 44.635 17.863 1.00 0.00 ATOM 340 N SER A 40 42.870 44.711 17.358 1.00 0.00 ATOM 341 CA SER A 40 41.728 44.204 18.115 1.00 0.00 ATOM 342 CB SER A 40 40.420 44.513 17.384 1.00 0.00 ATOM 343 OG SER A 40 40.178 45.909 17.340 1.00 0.00 ATOM 344 O SER A 40 41.760 42.104 19.300 1.00 0.00 ATOM 345 C SER A 40 41.935 42.691 18.231 1.00 0.00 ATOM 346 N LEU A 41 42.317 42.067 17.123 1.00 0.00 ATOM 347 CA LEU A 41 42.570 40.633 17.117 1.00 0.00 ATOM 348 CB LEU A 41 42.958 40.162 15.715 1.00 0.00 ATOM 349 CG LEU A 41 41.849 40.190 14.659 1.00 0.00 ATOM 350 CD1 LEU A 41 42.411 39.875 13.281 1.00 0.00 ATOM 351 CD2 LEU A 41 40.774 39.163 14.980 1.00 0.00 ATOM 352 O LEU A 41 43.640 39.258 18.760 1.00 0.00 ATOM 353 C LEU A 41 43.706 40.273 18.072 1.00 0.00 ATOM 354 N GLU A 42 44.662 41.087 18.018 1.00 0.00 ATOM 355 CA GLU A 42 45.842 40.814 18.836 1.00 0.00 ATOM 356 CB GLU A 42 46.946 41.833 18.539 1.00 0.00 ATOM 357 CG GLU A 42 47.593 41.666 17.174 1.00 0.00 ATOM 358 CD GLU A 42 48.613 42.747 16.877 1.00 0.00 ATOM 359 OE1 GLU A 42 48.765 43.666 17.710 1.00 0.00 ATOM 360 OE2 GLU A 42 49.263 42.674 15.812 1.00 0.00 ATOM 361 O GLU A 42 46.054 40.172 21.143 1.00 0.00 ATOM 362 C GLU A 42 45.494 40.898 20.321 1.00 0.00 ATOM 363 N SER A 43 44.573 41.795 20.655 1.00 0.00 ATOM 364 CA SER A 43 44.143 41.985 22.035 1.00 0.00 ATOM 365 CB SER A 43 43.089 43.090 22.120 1.00 0.00 ATOM 366 OG SER A 43 43.633 44.345 21.749 1.00 0.00 ATOM 367 O SER A 43 43.602 40.399 23.758 1.00 0.00 ATOM 368 C SER A 43 43.536 40.688 22.562 1.00 0.00 ATOM 369 N TYR A 44 42.993 39.889 21.647 1.00 0.00 ATOM 370 CA TYR A 44 42.383 38.611 21.991 1.00 0.00 ATOM 371 CB TYR A 44 41.128 38.369 21.149 1.00 0.00 ATOM 372 CG TYR A 44 40.018 39.362 21.406 1.00 0.00 ATOM 373 CD1 TYR A 44 39.751 40.383 20.501 1.00 0.00 ATOM 374 CD2 TYR A 44 39.237 39.277 22.551 1.00 0.00 ATOM 375 CE1 TYR A 44 38.739 41.295 20.728 1.00 0.00 ATOM 376 CE2 TYR A 44 38.220 40.181 22.795 1.00 0.00 ATOM 377 CZ TYR A 44 37.976 41.195 21.870 1.00 0.00 ATOM 378 OH TYR A 44 36.966 42.102 22.097 1.00 0.00 ATOM 379 O TYR A 44 42.940 36.290 21.941 1.00 0.00 ATOM 380 C TYR A 44 43.344 37.448 21.841 1.00 0.00 ATOM 381 N GLY A 45 44.625 37.748 21.580 1.00 0.00 ATOM 382 CA GLY A 45 45.674 36.770 21.422 1.00 0.00 ATOM 383 O GLY A 45 46.240 34.976 19.949 1.00 0.00 ATOM 384 C GLY A 45 45.714 36.083 20.074 1.00 0.00 ATOM 385 N LEU A 46 45.148 36.733 19.039 1.00 0.00 ATOM 386 CA LEU A 46 45.117 36.159 17.700 1.00 0.00 ATOM 387 CB LEU A 46 43.719 36.294 17.093 1.00 0.00 ATOM 388 CG LEU A 46 43.549 35.786 15.661 1.00 0.00 ATOM 389 CD1 LEU A 46 43.730 34.276 15.602 1.00 0.00 ATOM 390 CD2 LEU A 46 42.165 36.119 15.131 1.00 0.00 ATOM 391 O LEU A 46 46.151 38.095 16.729 1.00 0.00 ATOM 392 C LEU A 46 46.107 36.867 16.778 1.00 0.00 ATOM 393 N ASN A 47 46.899 36.077 16.059 1.00 0.00 ATOM 394 CA ASN A 47 47.897 36.588 15.121 1.00 0.00 ATOM 395 CB ASN A 47 49.286 36.062 15.548 1.00 0.00 ATOM 396 CG ASN A 47 50.454 36.728 14.885 1.00 0.00 ATOM 397 ND2 ASN A 47 51.447 37.194 15.652 1.00 0.00 ATOM 398 OD1 ASN A 47 50.480 36.807 13.667 1.00 0.00 ATOM 399 O ASN A 47 47.398 34.967 13.431 1.00 0.00 ATOM 400 C ASN A 47 47.525 36.161 13.705 1.00 0.00 ATOM 401 N PRO A 48 47.358 37.131 12.807 1.00 0.00 ATOM 402 CA PRO A 48 46.994 36.830 11.424 1.00 0.00 ATOM 403 CB PRO A 48 46.709 38.201 10.810 1.00 0.00 ATOM 404 CG PRO A 48 47.499 39.156 11.640 1.00 0.00 ATOM 405 CD PRO A 48 47.475 38.609 13.041 1.00 0.00 ATOM 406 O PRO A 48 47.833 35.260 9.804 1.00 0.00 ATOM 407 C PRO A 48 48.104 36.075 10.691 1.00 0.00 ATOM 408 N ALA A 49 49.352 36.337 11.064 1.00 0.00 ATOM 409 CA ALA A 49 50.474 35.636 10.450 1.00 0.00 ATOM 410 CB ALA A 49 51.791 36.195 10.968 1.00 0.00 ATOM 411 O ALA A 49 50.474 33.300 9.956 1.00 0.00 ATOM 412 C ALA A 49 50.318 34.170 10.812 1.00 0.00 ATOM 413 N ASP A 50 49.967 33.890 12.070 1.00 0.00 ATOM 414 CA ASP A 50 49.794 32.513 12.527 1.00 0.00 ATOM 415 CB ASP A 50 49.669 32.448 14.061 1.00 0.00 ATOM 416 CG ASP A 50 50.988 32.685 14.785 1.00 0.00 ATOM 417 OD1 ASP A 50 52.063 32.428 14.201 1.00 0.00 ATOM 418 OD2 ASP A 50 50.937 33.108 15.961 1.00 0.00 ATOM 419 O ASP A 50 48.575 30.712 11.537 1.00 0.00 ATOM 420 C ASP A 50 48.563 31.884 11.894 1.00 0.00 ATOM 421 N ILE A 51 47.480 32.668 11.774 1.00 0.00 ATOM 422 CA ILE A 51 46.248 32.152 11.203 1.00 0.00 ATOM 423 CB ILE A 51 45.071 33.122 11.497 1.00 0.00 ATOM 424 CG1 ILE A 51 43.723 32.520 11.053 1.00 0.00 ATOM 425 CG2 ILE A 51 45.325 34.458 10.873 1.00 0.00 ATOM 426 CD1 ILE A 51 43.390 31.220 11.670 1.00 0.00 ATOM 427 O ILE A 51 45.772 30.810 9.267 1.00 0.00 ATOM 428 C ILE A 51 46.366 31.790 9.717 1.00 0.00 ATOM 429 N PHE A 52 47.163 32.556 8.960 1.00 0.00 ATOM 430 CA PHE A 52 47.385 32.262 7.537 1.00 0.00 ATOM 431 CB PHE A 52 48.381 33.255 6.934 1.00 0.00 ATOM 432 CG PHE A 52 48.678 33.010 5.482 1.00 0.00 ATOM 433 CD1 PHE A 52 47.791 33.419 4.501 1.00 0.00 ATOM 434 CD2 PHE A 52 49.842 32.371 5.097 1.00 0.00 ATOM 435 CE1 PHE A 52 48.064 33.194 3.166 1.00 0.00 ATOM 436 CE2 PHE A 52 50.116 32.145 3.761 1.00 0.00 ATOM 437 CZ PHE A 52 49.232 32.555 2.797 1.00 0.00 ATOM 438 O PHE A 52 47.535 30.054 6.611 1.00 0.00 ATOM 439 C PHE A 52 47.936 30.841 7.469 1.00 0.00 ATOM 440 N PRO A 53 48.839 30.512 8.388 1.00 0.00 ATOM 441 CA PRO A 53 49.443 29.184 8.437 1.00 0.00 ATOM 442 CB PRO A 53 50.533 29.338 9.493 1.00 0.00 ATOM 443 CG PRO A 53 50.982 30.751 9.277 1.00 0.00 ATOM 444 CD PRO A 53 49.657 31.484 9.138 1.00 0.00 ATOM 445 O PRO A 53 48.598 26.932 8.377 1.00 0.00 ATOM 446 C PRO A 53 48.400 28.104 8.713 1.00 0.00 ATOM 447 N GLY A 54 47.291 28.513 9.342 1.00 0.00 ATOM 448 CA GLY A 54 46.234 27.560 9.635 1.00 0.00 ATOM 449 O GLY A 54 45.184 26.362 11.421 1.00 0.00 ATOM 450 C GLY A 54 46.226 26.854 10.983 1.00 0.00 ATOM 451 N SER A 55 47.373 26.770 11.645 1.00 0.00 ATOM 452 CA SER A 55 47.479 26.073 12.933 1.00 0.00 ATOM 453 CB SER A 55 48.924 26.070 13.438 1.00 0.00 ATOM 454 OG SER A 55 49.345 27.378 13.785 1.00 0.00 ATOM 455 O SER A 55 46.503 26.014 15.118 1.00 0.00 ATOM 456 C SER A 55 46.633 26.651 14.078 1.00 0.00 ATOM 457 N ARG A 56 46.061 27.848 13.903 1.00 0.00 ATOM 458 CA ARG A 56 45.183 28.371 14.957 1.00 0.00 ATOM 459 CB ARG A 56 45.425 29.867 15.162 1.00 0.00 ATOM 460 CG ARG A 56 46.812 30.207 15.682 1.00 0.00 ATOM 461 CD ARG A 56 47.004 31.710 15.808 1.00 0.00 ATOM 462 NE ARG A 56 46.104 32.294 16.799 1.00 0.00 ATOM 463 CZ ARG A 56 46.377 32.381 18.097 1.00 0.00 ATOM 464 NH1 ARG A 56 45.497 32.930 18.924 1.00 0.00 ATOM 465 NH2 ARG A 56 47.528 31.918 18.564 1.00 0.00 ATOM 466 O ARG A 56 42.846 28.695 15.395 1.00 0.00 ATOM 467 C ARG A 56 43.694 28.197 14.654 1.00 0.00 ATOM 468 N LYS A 57 43.379 27.485 13.580 1.00 0.00 ATOM 469 CA LYS A 57 42.011 27.048 13.304 1.00 0.00 ATOM 470 CB LYS A 57 41.660 27.281 11.833 1.00 0.00 ATOM 471 CG LYS A 57 40.210 26.991 11.486 1.00 0.00 ATOM 472 CD LYS A 57 39.942 27.203 10.005 1.00 0.00 ATOM 473 CE LYS A 57 38.519 26.815 9.640 1.00 0.00 ATOM 474 NZ LYS A 57 38.274 26.917 8.175 1.00 0.00 ATOM 475 O LYS A 57 42.809 24.801 13.539 1.00 0.00 ATOM 476 C LYS A 57 41.836 25.549 13.602 1.00 0.00 ATOM 477 N SER A 58 40.593 25.157 13.894 1.00 0.00 ATOM 478 CA SER A 58 40.377 23.730 14.168 1.00 0.00 ATOM 479 CB SER A 58 38.967 23.424 14.674 1.00 0.00 ATOM 480 OG SER A 58 38.024 23.623 13.650 1.00 0.00 ATOM 481 O SER A 58 40.866 21.669 13.041 1.00 0.00 ATOM 482 C SER A 58 40.639 22.884 12.924 1.00 0.00 ATOM 483 N GLU A 59 40.614 23.510 11.756 1.00 0.00 ATOM 484 CA GLU A 59 40.828 22.819 10.517 1.00 0.00 ATOM 485 CB GLU A 59 40.257 23.709 9.342 1.00 0.00 ATOM 486 CG GLU A 59 38.738 23.931 9.416 1.00 0.00 ATOM 487 CD GLU A 59 37.930 22.638 9.187 1.00 0.00 ATOM 488 OE1 GLU A 59 38.422 21.734 8.486 1.00 0.00 ATOM 489 OE2 GLU A 59 36.798 22.531 9.698 1.00 0.00 ATOM 490 O GLU A 59 42.478 21.392 9.537 1.00 0.00 ATOM 491 C GLU A 59 42.238 22.236 10.391 1.00 0.00 ATOM 492 N VAL A 60 43.476 23.189 11.129 1.00 0.00 ATOM 493 CA VAL A 60 44.879 23.602 11.105 1.00 0.00 ATOM 494 CB VAL A 60 45.712 22.828 12.142 1.00 0.00 ATOM 495 CG1 VAL A 60 47.193 23.129 11.967 1.00 0.00 ATOM 496 CG2 VAL A 60 45.307 23.222 13.554 1.00 0.00 ATOM 497 O VAL A 60 46.239 24.153 9.206 1.00 0.00 ATOM 498 C VAL A 60 45.460 23.347 9.718 1.00 0.00 ATOM 499 N THR A 61 45.065 22.235 9.107 1.00 0.00 ATOM 500 CA THR A 61 45.541 21.874 7.774 1.00 0.00 ATOM 501 CB THR A 61 45.221 20.541 7.320 1.00 0.00 ATOM 502 CG2 THR A 61 45.568 20.386 5.835 1.00 0.00 ATOM 503 OG1 THR A 61 46.022 19.607 8.059 1.00 0.00 ATOM 504 O THR A 61 45.944 23.595 6.226 1.00 0.00 ATOM 505 C THR A 61 45.070 23.070 6.950 1.00 0.00 ATOM 506 N PRO A 62 43.889 23.554 7.029 1.00 0.00 ATOM 507 CA PRO A 62 43.524 24.644 6.108 1.00 0.00 ATOM 508 CB PRO A 62 42.031 24.877 6.321 1.00 0.00 ATOM 509 CG PRO A 62 41.550 23.452 6.523 1.00 0.00 ATOM 510 CD PRO A 62 42.605 22.784 7.394 1.00 0.00 ATOM 511 O PRO A 62 44.425 26.052 7.783 1.00 0.00 ATOM 512 C PRO A 62 44.122 25.954 6.617 1.00 0.00 ATOM 513 N GLU A 63 44.340 26.899 5.728 1.00 0.00 ATOM 514 CA GLU A 63 44.830 28.223 6.077 1.00 0.00 ATOM 515 CB GLU A 63 45.583 28.841 4.898 1.00 0.00 ATOM 516 CG GLU A 63 46.831 28.076 4.488 1.00 0.00 ATOM 517 CD GLU A 63 47.580 28.746 3.354 1.00 0.00 ATOM 518 OE1 GLU A 63 46.956 29.007 2.303 1.00 0.00 ATOM 519 OE2 GLU A 63 48.790 29.009 3.514 1.00 0.00 ATOM 520 O GLU A 63 42.576 28.950 5.700 1.00 0.00 ATOM 521 C GLU A 63 43.593 29.084 6.362 1.00 0.00 ATOM 522 N VAL A 64 43.677 29.919 7.394 1.00 0.00 ATOM 523 CA VAL A 64 42.575 30.798 7.726 1.00 0.00 ATOM 524 CB VAL A 64 42.054 30.586 9.165 1.00 0.00 ATOM 525 CG1 VAL A 64 40.931 31.578 9.476 1.00 0.00 ATOM 526 CG2 VAL A 64 41.576 29.123 9.347 1.00 0.00 ATOM 527 O VAL A 64 44.016 32.660 8.208 1.00 0.00 ATOM 528 C VAL A 64 43.029 32.250 7.593 1.00 0.00 ATOM 529 N ALA A 65 42.322 33.019 6.771 1.00 0.00 ATOM 530 CA ALA A 65 42.651 34.424 6.568 1.00 0.00 ATOM 531 CB ALA A 65 43.536 34.590 5.341 1.00 0.00 ATOM 532 O ALA A 65 40.281 34.678 6.262 1.00 0.00 ATOM 533 C ALA A 65 41.370 35.236 6.403 1.00 0.00 ATOM 534 N LEU A 66 41.507 36.557 6.428 1.00 0.00 ATOM 535 CA LEU A 66 40.356 37.445 6.296 1.00 0.00 ATOM 536 CB LEU A 66 40.086 38.209 7.594 1.00 0.00 ATOM 537 CG LEU A 66 39.757 37.360 8.824 1.00 0.00 ATOM 538 CD1 LEU A 66 39.643 38.232 10.064 1.00 0.00 ATOM 539 CD2 LEU A 66 38.436 36.628 8.635 1.00 0.00 ATOM 540 O LEU A 66 41.665 39.084 5.141 1.00 0.00 ATOM 541 C LEU A 66 40.606 38.456 5.192 1.00 0.00 ATOM 542 N PRO A 67 39.631 38.614 4.305 1.00 0.00 ATOM 543 CA PRO A 67 39.779 39.564 3.216 1.00 0.00 ATOM 544 CB PRO A 67 39.865 38.684 1.967 1.00 0.00 ATOM 545 CG PRO A 67 39.100 37.454 2.323 1.00 0.00 ATOM 546 CD PRO A 67 39.344 37.221 3.788 1.00 0.00 ATOM 547 O PRO A 67 37.464 40.121 3.495 1.00 0.00 ATOM 548 C PRO A 67 38.584 40.503 3.160 1.00 0.00 ATOM 549 N ILE A 68 38.834 41.739 2.744 1.00 0.00 ATOM 550 CA ILE A 68 37.763 42.723 2.627 1.00 0.00 ATOM 551 CB ILE A 68 38.321 44.158 2.564 1.00 0.00 ATOM 552 CG1 ILE A 68 39.072 44.495 3.852 1.00 0.00 ATOM 553 CG2 ILE A 68 37.190 45.160 2.389 1.00 0.00 ATOM 554 CD1 ILE A 68 39.845 45.793 3.786 1.00 0.00 ATOM 555 O ILE A 68 37.545 42.390 0.262 1.00 0.00 ATOM 556 C ILE A 68 36.976 42.444 1.350 1.00 0.00 ATOM 557 N ILE A 69 35.668 42.244 1.495 1.00 0.00 ATOM 558 CA ILE A 69 34.791 41.967 0.362 1.00 0.00 ATOM 559 CB ILE A 69 33.678 40.970 0.738 1.00 0.00 ATOM 560 CG1 ILE A 69 34.286 39.658 1.238 1.00 0.00 ATOM 561 CG2 ILE A 69 32.803 40.669 -0.467 1.00 0.00 ATOM 562 CD1 ILE A 69 35.179 38.974 0.226 1.00 0.00 ATOM 563 O ILE A 69 33.976 43.473 -1.336 1.00 0.00 ATOM 564 C ILE A 69 34.131 43.258 -0.132 1.00 0.00 ATOM 565 N HIS A 70 33.743 44.117 0.805 1.00 0.00 ATOM 566 CA HIS A 70 33.122 45.395 0.471 1.00 0.00 ATOM 567 CB HIS A 70 31.606 45.229 0.341 1.00 0.00 ATOM 568 CG HIS A 70 30.897 46.474 -0.090 1.00 0.00 ATOM 569 CD2 HIS A 70 30.041 47.458 0.555 1.00 0.00 ATOM 570 ND1 HIS A 70 30.958 46.955 -1.382 1.00 0.00 ATOM 571 CE1 HIS A 70 30.224 48.081 -1.462 1.00 0.00 ATOM 572 NE2 HIS A 70 29.671 48.388 -0.305 1.00 0.00 ATOM 573 O HIS A 70 33.561 46.000 2.748 1.00 0.00 ATOM 574 C HIS A 70 33.467 46.379 1.584 1.00 0.00 ATOM 575 N CYS A 71 33.657 47.640 1.217 1.00 0.00 ATOM 576 CA CYS A 71 34.016 48.656 2.194 1.00 0.00 ATOM 577 CB CYS A 71 35.531 48.731 2.393 1.00 0.00 ATOM 578 SG CYS A 71 36.064 49.953 3.616 1.00 0.00 ATOM 579 O CYS A 71 33.810 50.448 0.609 1.00 0.00 ATOM 580 C CYS A 71 33.535 50.026 1.734 1.00 0.00 ATOM 581 N GLN A 72 32.811 50.714 2.609 1.00 0.00 ATOM 582 CA GLN A 72 32.320 52.055 2.312 1.00 0.00 ATOM 583 CB GLN A 72 30.808 52.124 2.547 1.00 0.00 ATOM 584 CG GLN A 72 30.277 53.509 2.313 1.00 0.00 ATOM 585 CD GLN A 72 28.832 53.658 2.784 1.00 0.00 ATOM 586 OE1 GLN A 72 28.301 52.771 3.394 1.00 0.00 ATOM 587 NE2 GLN A 72 28.240 54.789 2.532 1.00 0.00 ATOM 588 O GLN A 72 32.590 52.772 4.551 1.00 0.00 ATOM 589 C GLN A 72 32.878 53.016 3.397 1.00 0.00 ATOM 590 N ALA A 73 33.768 53.821 2.522 1.00 0.00 ATOM 591 CA ALA A 73 34.340 54.852 3.431 1.00 0.00 ATOM 592 CB ALA A 73 35.849 54.894 3.246 1.00 0.00 ATOM 593 O ALA A 73 33.686 56.601 1.924 1.00 0.00 ATOM 594 C ALA A 73 33.760 56.223 3.092 1.00 0.00 ATOM 595 N ASP A 74 33.330 56.957 4.113 1.00 0.00 ATOM 596 CA ASP A 74 32.809 58.299 3.894 1.00 0.00 ATOM 597 CB ASP A 74 31.418 58.432 4.501 1.00 0.00 ATOM 598 CG ASP A 74 30.775 59.784 4.173 1.00 0.00 ATOM 599 OD1 ASP A 74 31.390 60.842 4.380 1.00 0.00 ATOM 600 OD2 ASP A 74 29.632 59.776 3.707 1.00 0.00 ATOM 601 O ASP A 74 34.080 59.053 5.782 1.00 0.00 ATOM 602 C ASP A 74 33.755 59.252 4.611 1.00 0.00 ATOM 603 N PHE A 75 34.210 60.272 3.891 1.00 0.00 ATOM 604 CA PHE A 75 35.160 61.240 4.424 1.00 0.00 ATOM 605 CB PHE A 75 36.248 61.547 3.393 1.00 0.00 ATOM 606 CG PHE A 75 37.156 60.386 3.108 1.00 0.00 ATOM 607 CD1 PHE A 75 36.887 59.518 2.063 1.00 0.00 ATOM 608 CD2 PHE A 75 38.281 60.160 3.883 1.00 0.00 ATOM 609 CE1 PHE A 75 37.723 58.450 1.800 1.00 0.00 ATOM 610 CE2 PHE A 75 39.116 59.092 3.620 1.00 0.00 ATOM 611 CZ PHE A 75 38.841 58.239 2.584 1.00 0.00 ATOM 612 O PHE A 75 33.719 63.109 3.998 1.00 0.00 ATOM 613 C PHE A 75 34.481 62.560 4.789 1.00 0.00 ATOM 614 N ARG A 76 34.783 63.073 5.980 1.00 0.00 ATOM 615 CA ARG A 76 34.176 64.319 6.469 1.00 0.00 ATOM 616 CB ARG A 76 33.449 64.076 7.793 1.00 0.00 ATOM 617 CG ARG A 76 32.188 63.236 7.664 1.00 0.00 ATOM 618 CD ARG A 76 31.514 63.039 9.013 1.00 0.00 ATOM 619 NE ARG A 76 30.360 62.149 8.923 1.00 0.00 ATOM 620 CZ ARG A 76 29.682 61.698 9.974 1.00 0.00 ATOM 621 NH1 ARG A 76 28.645 60.891 9.796 1.00 0.00 ATOM 622 NH2 ARG A 76 30.041 62.056 11.198 1.00 0.00 ATOM 623 O ARG A 76 34.894 66.615 6.371 1.00 0.00 ATOM 624 C ARG A 76 35.153 65.460 6.733 1.00 0.00 ATOM 625 N ARG A 77 36.286 65.127 7.343 1.00 0.00 ATOM 626 CA ARG A 77 37.296 66.125 7.679 1.00 0.00 ATOM 627 CB ARG A 77 37.127 66.592 9.127 1.00 0.00 ATOM 628 CG ARG A 77 35.797 67.272 9.408 1.00 0.00 ATOM 629 CD ARG A 77 35.718 68.632 8.734 1.00 0.00 ATOM 630 NE ARG A 77 34.496 69.348 9.087 1.00 0.00 ATOM 631 CZ ARG A 77 33.342 69.223 8.438 1.00 0.00 ATOM 632 NH1 ARG A 77 32.282 69.915 8.831 1.00 0.00 ATOM 633 NH2 ARG A 77 33.252 68.406 7.397 1.00 0.00 ATOM 634 O ARG A 77 38.883 64.329 7.699 1.00 0.00 ATOM 635 C ARG A 77 38.689 65.528 7.518 1.00 0.00 ATOM 636 N PRO A 78 39.688 66.371 7.221 1.00 0.00 ATOM 637 CA PRO A 78 41.052 65.877 7.042 1.00 0.00 ATOM 638 CB PRO A 78 41.694 66.897 6.100 1.00 0.00 ATOM 639 CG PRO A 78 41.059 68.196 6.469 1.00 0.00 ATOM 640 CD PRO A 78 39.625 67.883 6.791 1.00 0.00 ATOM 641 O PRO A 78 41.654 66.371 9.326 1.00 0.00 ATOM 642 C PRO A 78 41.917 65.753 8.292 1.00 0.00 ATOM 643 N ILE A 79 42.962 64.943 8.164 1.00 0.00 ATOM 644 CA ILE A 79 43.952 64.742 9.215 1.00 0.00 ATOM 645 CB ILE A 79 44.162 63.246 9.514 1.00 0.00 ATOM 646 CG1 ILE A 79 42.847 62.601 9.955 1.00 0.00 ATOM 647 CG2 ILE A 79 45.184 63.063 10.624 1.00 0.00 ATOM 648 CD1 ILE A 79 42.271 63.194 11.222 1.00 0.00 ATOM 649 O ILE A 79 45.358 65.323 7.357 1.00 0.00 ATOM 650 C ILE A 79 45.202 65.348 8.583 1.00 0.00 ATOM 651 N HIS A 80 46.098 65.855 9.398 1.00 0.00 ATOM 652 CA HIS A 80 47.287 66.540 8.906 1.00 0.00 ATOM 653 CB HIS A 80 47.272 68.044 9.187 1.00 0.00 ATOM 654 CG HIS A 80 46.149 68.773 8.519 1.00 0.00 ATOM 655 CD2 HIS A 80 46.013 69.605 7.332 1.00 0.00 ATOM 656 ND1 HIS A 80 44.860 68.763 9.006 1.00 0.00 ATOM 657 CE1 HIS A 80 44.081 69.502 8.196 1.00 0.00 ATOM 658 NE2 HIS A 80 44.765 70.009 7.190 1.00 0.00 ATOM 659 O HIS A 80 48.519 65.123 10.401 1.00 0.00 ATOM 660 C HIS A 80 48.561 65.907 9.451 1.00 0.00 ATOM 661 N THR A 81 49.787 66.270 8.896 1.00 0.00 ATOM 662 CA THR A 81 51.077 65.734 9.316 1.00 0.00 ATOM 663 CB THR A 81 52.234 66.494 8.640 1.00 0.00 ATOM 664 CG2 THR A 81 53.574 65.942 9.102 1.00 0.00 ATOM 665 OG1 THR A 81 52.138 66.349 7.218 1.00 0.00 ATOM 666 O THR A 81 51.147 66.986 11.369 1.00 0.00 ATOM 667 C THR A 81 51.289 65.891 10.827 1.00 0.00 ATOM 668 N GLY A 82 51.608 64.758 11.497 1.00 0.00 ATOM 669 CA GLY A 82 51.841 64.815 12.932 1.00 0.00 ATOM 670 O GLY A 82 50.749 64.627 15.059 1.00 0.00 ATOM 671 C GLY A 82 50.614 64.703 13.836 1.00 0.00 ATOM 672 N ASP A 83 49.419 64.683 13.260 1.00 0.00 ATOM 673 CA ASP A 83 48.218 64.525 14.081 1.00 0.00 ATOM 674 CB ASP A 83 46.960 64.672 13.224 1.00 0.00 ATOM 675 CG ASP A 83 46.701 66.109 12.811 1.00 0.00 ATOM 676 OD1 ASP A 83 47.381 67.011 13.343 1.00 0.00 ATOM 677 OD2 ASP A 83 45.819 66.331 11.955 1.00 0.00 ATOM 678 O ASP A 83 48.740 62.184 14.098 1.00 0.00 ATOM 679 C ASP A 83 48.247 63.133 14.711 1.00 0.00 ATOM 680 N ALA A 84 47.751 63.000 15.940 1.00 0.00 ATOM 681 CA ALA A 84 47.674 61.677 16.555 1.00 0.00 ATOM 682 CB ALA A 84 48.127 61.739 18.006 1.00 0.00 ATOM 683 O ALA A 84 45.330 62.051 16.927 1.00 0.00 ATOM 684 C ALA A 84 46.200 61.331 16.425 1.00 0.00 ATOM 685 N LEU A 85 45.910 60.271 15.683 1.00 0.00 ATOM 686 CA LEU A 85 44.529 59.865 15.459 1.00 0.00 ATOM 687 CB LEU A 85 44.293 59.548 13.997 1.00 0.00 ATOM 688 CG LEU A 85 44.646 60.679 13.044 1.00 0.00 ATOM 689 CD1 LEU A 85 44.456 60.158 11.644 1.00 0.00 ATOM 690 CD2 LEU A 85 43.793 61.936 13.300 1.00 0.00 ATOM 691 O LEU A 85 44.999 57.884 16.716 1.00 0.00 ATOM 692 C LEU A 85 44.139 58.639 16.256 1.00 0.00 ATOM 693 N ALA A 86 42.839 58.429 16.365 1.00 0.00 ATOM 694 CA ALA A 86 42.310 57.271 17.063 1.00 0.00 ATOM 695 CB ALA A 86 41.564 57.705 18.314 1.00 0.00 ATOM 696 O ALA A 86 40.467 57.179 15.537 1.00 0.00 ATOM 697 C ALA A 86 41.357 56.558 16.121 1.00 0.00 ATOM 698 N MET A 87 41.579 55.266 15.946 1.00 0.00 ATOM 699 CA MET A 87 40.726 54.465 15.083 1.00 0.00 ATOM 700 CB MET A 87 41.575 53.515 14.237 1.00 0.00 ATOM 701 CG MET A 87 40.771 52.649 13.280 1.00 0.00 ATOM 702 SD MET A 87 39.961 53.608 11.986 1.00 0.00 ATOM 703 CE MET A 87 41.354 53.989 10.925 1.00 0.00 ATOM 704 O MET A 87 40.310 53.081 16.983 1.00 0.00 ATOM 705 C MET A 87 39.821 53.708 16.043 1.00 0.00 ATOM 706 N GLU A 88 38.509 53.800 15.840 1.00 0.00 ATOM 707 CA GLU A 88 37.563 53.098 16.701 1.00 0.00 ATOM 708 CB GLU A 88 36.455 54.045 17.165 1.00 0.00 ATOM 709 CG GLU A 88 36.935 55.163 18.076 1.00 0.00 ATOM 710 CD GLU A 88 35.805 56.054 18.552 1.00 0.00 ATOM 711 OE1 GLU A 88 34.644 55.797 18.167 1.00 0.00 ATOM 712 OE2 GLU A 88 36.079 57.010 19.307 1.00 0.00 ATOM 713 O GLU A 88 36.517 52.142 14.770 1.00 0.00 ATOM 714 C GLU A 88 36.947 51.953 15.906 1.00 0.00 ATOM 715 N LEU A 89 36.915 50.769 16.507 1.00 0.00 ATOM 716 CA LEU A 89 36.403 49.584 15.828 1.00 0.00 ATOM 717 CB LEU A 89 37.550 48.637 15.474 1.00 0.00 ATOM 718 CG LEU A 89 37.160 47.316 14.808 1.00 0.00 ATOM 719 CD1 LEU A 89 36.638 47.558 13.399 1.00 0.00 ATOM 720 CD2 LEU A 89 38.357 46.383 14.717 1.00 0.00 ATOM 721 O LEU A 89 35.600 48.608 17.866 1.00 0.00 ATOM 722 C LEU A 89 35.412 48.783 16.660 1.00 0.00 ATOM 723 N ARG A 90 34.346 48.330 16.005 1.00 0.00 ATOM 724 CA ARG A 90 33.291 47.543 16.640 1.00 0.00 ATOM 725 CB ARG A 90 32.065 48.395 17.007 1.00 0.00 ATOM 726 CG ARG A 90 30.720 47.650 17.142 1.00 0.00 ATOM 727 CD ARG A 90 30.471 46.998 18.520 1.00 0.00 ATOM 728 NE ARG A 90 29.160 46.342 18.766 1.00 0.00 ATOM 729 CZ ARG A 90 28.952 45.025 18.970 1.00 0.00 ATOM 730 NH1 ARG A 90 29.935 44.125 18.966 1.00 0.00 ATOM 731 NH2 ARG A 90 27.707 44.593 19.188 1.00 0.00 ATOM 732 O ARG A 90 32.487 46.836 14.498 1.00 0.00 ATOM 733 C ARG A 90 32.749 46.511 15.654 1.00 0.00 ATOM 734 N PRO A 91 32.570 45.275 16.105 1.00 0.00 ATOM 735 CA PRO A 91 31.997 44.246 15.243 1.00 0.00 ATOM 736 CB PRO A 91 32.616 42.950 15.769 1.00 0.00 ATOM 737 CG PRO A 91 32.845 43.208 17.221 1.00 0.00 ATOM 738 CD PRO A 91 33.088 44.685 17.349 1.00 0.00 ATOM 739 O PRO A 91 29.996 43.853 16.455 1.00 0.00 ATOM 740 C PRO A 91 30.488 44.276 15.387 1.00 0.00 ATOM 741 N GLU A 92 29.780 44.757 14.387 1.00 0.00 ATOM 742 CA GLU A 92 28.323 44.881 14.504 1.00 0.00 ATOM 743 CB GLU A 92 27.965 46.341 13.967 1.00 0.00 ATOM 744 CG GLU A 92 26.774 46.963 14.683 1.00 0.00 ATOM 745 CD GLU A 92 27.144 47.501 16.061 1.00 0.00 ATOM 746 OE1 GLU A 92 27.957 48.451 16.134 1.00 0.00 ATOM 747 OE2 GLU A 92 26.625 46.974 17.080 1.00 0.00 ATOM 748 O GLU A 92 26.353 43.526 14.380 1.00 0.00 ATOM 749 C GLU A 92 27.525 43.670 14.031 1.00 0.00 ATOM 750 N ARG A 93 28.156 42.796 13.252 1.00 0.00 ATOM 751 CA ARG A 93 27.482 41.601 12.746 1.00 0.00 ATOM 752 CB ARG A 93 26.829 41.894 11.394 1.00 0.00 ATOM 753 CG ARG A 93 25.947 40.770 10.875 1.00 0.00 ATOM 754 CD ARG A 93 25.264 41.161 9.574 1.00 0.00 ATOM 755 NE ARG A 93 24.510 40.049 8.997 1.00 0.00 ATOM 756 CZ ARG A 93 23.582 40.186 8.056 1.00 0.00 ATOM 757 NH1 ARG A 93 22.949 39.119 7.589 1.00 0.00 ATOM 758 NH2 ARG A 93 23.291 41.389 7.582 1.00 0.00 ATOM 759 O ARG A 93 29.580 40.634 12.103 1.00 0.00 ATOM 760 C ARG A 93 28.448 40.442 12.552 1.00 0.00 ATOM 761 N LEU A 94 27.941 39.165 12.938 1.00 0.00 ATOM 762 CA LEU A 94 28.742 37.958 12.768 1.00 0.00 ATOM 763 CB LEU A 94 29.269 37.470 14.118 1.00 0.00 ATOM 764 CG LEU A 94 30.091 36.179 14.100 1.00 0.00 ATOM 765 CD1 LEU A 94 31.366 36.367 13.292 1.00 0.00 ATOM 766 CD2 LEU A 94 30.478 35.767 15.512 1.00 0.00 ATOM 767 O LEU A 94 26.835 36.516 12.680 1.00 0.00 ATOM 768 C LEU A 94 27.877 36.875 12.140 1.00 0.00 ATOM 769 N ASN A 95 28.313 36.361 11.013 1.00 0.00 ATOM 770 CA ASN A 95 27.568 35.327 10.299 1.00 0.00 ATOM 771 CB ASN A 95 27.066 35.809 8.937 1.00 0.00 ATOM 772 CG ASN A 95 26.073 36.948 9.051 1.00 0.00 ATOM 773 ND2 ASN A 95 25.142 36.827 9.992 1.00 0.00 ATOM 774 OD1 ASN A 95 26.141 37.923 8.303 1.00 0.00 ATOM 775 O ASN A 95 29.618 34.119 10.550 1.00 0.00 ATOM 776 C ASN A 95 28.477 34.130 10.087 1.00 0.00 ATOM 777 N PRO A 96 27.974 33.139 9.364 1.00 0.00 ATOM 778 CA PRO A 96 28.740 31.936 9.107 1.00 0.00 ATOM 779 CB PRO A 96 28.023 31.285 7.922 1.00 0.00 ATOM 780 CG PRO A 96 26.600 31.710 8.068 1.00 0.00 ATOM 781 CD PRO A 96 26.637 33.138 8.533 1.00 0.00 ATOM 782 O PRO A 96 31.080 31.876 9.662 1.00 0.00 ATOM 783 C PRO A 96 30.225 32.167 8.825 1.00 0.00 ATOM 784 N ASN A 97 30.497 32.711 7.558 1.00 0.00 ATOM 785 CA ASN A 97 31.875 32.973 7.159 1.00 0.00 ATOM 786 CB ASN A 97 32.097 32.369 5.760 1.00 0.00 ATOM 787 CG ASN A 97 31.618 30.910 5.652 1.00 0.00 ATOM 788 ND2 ASN A 97 30.834 30.617 4.614 1.00 0.00 ATOM 789 OD1 ASN A 97 31.921 30.068 6.514 1.00 0.00 ATOM 790 O ASN A 97 33.387 34.751 6.647 1.00 0.00 ATOM 791 C ASN A 97 32.313 34.432 7.160 1.00 0.00 ATOM 792 N SER A 98 31.541 35.310 7.613 1.00 0.00 ATOM 793 CA SER A 98 31.908 36.716 7.597 1.00 0.00 ATOM 794 CB SER A 98 31.314 37.411 6.369 1.00 0.00 ATOM 795 OG SER A 98 29.900 37.436 6.433 1.00 0.00 ATOM 796 O SER A 98 30.724 37.040 9.662 1.00 0.00 ATOM 797 C SER A 98 31.463 37.521 8.800 1.00 0.00 ATOM 798 N PHE A 99 31.939 38.759 8.847 1.00 0.00 ATOM 799 CA PHE A 99 31.592 39.678 9.915 1.00 0.00 ATOM 800 CB PHE A 99 32.562 39.544 11.091 1.00 0.00 ATOM 801 CG PHE A 99 33.980 39.906 10.751 1.00 0.00 ATOM 802 CD1 PHE A 99 34.444 41.195 10.940 1.00 0.00 ATOM 803 CD2 PHE A 99 34.848 38.956 10.243 1.00 0.00 ATOM 804 CE1 PHE A 99 35.749 41.528 10.628 1.00 0.00 ATOM 805 CE2 PHE A 99 36.153 39.289 9.931 1.00 0.00 ATOM 806 CZ PHE A 99 36.605 40.568 10.122 1.00 0.00 ATOM 807 O PHE A 99 32.379 41.375 8.423 1.00 0.00 ATOM 808 C PHE A 99 31.646 41.092 9.374 1.00 0.00 ATOM 809 N GLN A 100 30.849 41.967 9.963 1.00 0.00 ATOM 810 CA GLN A 100 30.817 43.363 9.567 1.00 0.00 ATOM 811 CB GLN A 100 29.379 43.884 9.590 1.00 0.00 ATOM 812 CG GLN A 100 28.855 44.326 8.229 1.00 0.00 ATOM 813 CD GLN A 100 27.473 44.964 8.323 1.00 0.00 ATOM 814 OE1 GLN A 100 26.501 44.455 7.758 1.00 0.00 ATOM 815 NE2 GLN A 100 27.380 46.081 9.042 1.00 0.00 ATOM 816 O GLN A 100 30.990 44.240 11.802 1.00 0.00 ATOM 817 C GLN A 100 31.408 44.264 10.642 1.00 0.00 ATOM 818 N VAL A 101 32.398 45.051 10.238 1.00 0.00 ATOM 819 CA VAL A 101 33.062 45.981 11.135 1.00 0.00 ATOM 820 CB VAL A 101 34.649 45.834 11.133 1.00 0.00 ATOM 821 CG1 VAL A 101 35.105 44.503 11.690 1.00 0.00 ATOM 822 CG2 VAL A 101 35.183 46.051 9.727 1.00 0.00 ATOM 823 O VAL A 101 32.356 47.794 9.734 1.00 0.00 ATOM 824 C VAL A 101 32.555 47.391 10.882 1.00 0.00 ATOM 825 N HIS A 102 32.314 48.123 11.960 1.00 0.00 ATOM 826 CA HIS A 102 31.905 49.513 11.873 1.00 0.00 ATOM 827 CB HIS A 102 30.605 49.713 12.653 1.00 0.00 ATOM 828 CG HIS A 102 30.093 51.121 12.624 1.00 0.00 ATOM 829 CD2 HIS A 102 29.953 52.195 13.596 1.00 0.00 ATOM 830 ND1 HIS A 102 29.595 51.707 11.480 1.00 0.00 ATOM 831 CE1 HIS A 102 29.217 52.966 11.765 1.00 0.00 ATOM 832 NE2 HIS A 102 29.428 53.265 13.032 1.00 0.00 ATOM 833 O HIS A 102 33.568 49.849 13.562 1.00 0.00 ATOM 834 C HIS A 102 33.140 50.185 12.457 1.00 0.00 ATOM 835 N PHE A 103 33.761 51.059 11.686 1.00 0.00 ATOM 836 CA PHE A 103 34.947 51.765 12.155 1.00 0.00 ATOM 837 CB PHE A 103 36.213 51.233 11.481 1.00 0.00 ATOM 838 CG PHE A 103 36.253 51.465 9.998 1.00 0.00 ATOM 839 CD1 PHE A 103 36.818 52.617 9.479 1.00 0.00 ATOM 840 CD2 PHE A 103 35.726 50.532 9.122 1.00 0.00 ATOM 841 CE1 PHE A 103 36.856 52.831 8.114 1.00 0.00 ATOM 842 CE2 PHE A 103 35.762 50.747 7.758 1.00 0.00 ATOM 843 CZ PHE A 103 36.323 51.890 7.252 1.00 0.00 ATOM 844 O PHE A 103 34.119 53.697 11.005 1.00 0.00 ATOM 845 C PHE A 103 34.872 53.255 11.870 1.00 0.00 ATOM 846 N GLU A 104 35.660 54.027 12.609 1.00 0.00 ATOM 847 CA GLU A 104 35.713 55.463 12.413 1.00 0.00 ATOM 848 CB GLU A 104 34.831 56.183 13.428 1.00 0.00 ATOM 849 CG GLU A 104 33.412 56.326 12.901 1.00 0.00 ATOM 850 CD GLU A 104 32.475 56.988 13.894 1.00 0.00 ATOM 851 OE1 GLU A 104 32.897 57.961 14.536 1.00 0.00 ATOM 852 OE2 GLU A 104 31.314 56.532 14.023 1.00 0.00 ATOM 853 O GLU A 104 37.801 55.342 13.587 1.00 0.00 ATOM 854 C GLU A 104 37.078 55.982 12.823 1.00 0.00 ATOM 855 N PHE A 105 37.458 57.118 12.261 1.00 0.00 ATOM 856 CA PHE A 105 38.741 57.714 12.579 1.00 0.00 ATOM 857 CB PHE A 105 39.682 57.668 11.368 1.00 0.00 ATOM 858 CG PHE A 105 41.062 58.177 11.640 1.00 0.00 ATOM 859 CD1 PHE A 105 41.829 57.634 12.656 1.00 0.00 ATOM 860 CD2 PHE A 105 41.628 59.141 10.823 1.00 0.00 ATOM 861 CE1 PHE A 105 43.147 58.056 12.854 1.00 0.00 ATOM 862 CE2 PHE A 105 42.947 59.569 11.012 1.00 0.00 ATOM 863 CZ PHE A 105 43.704 59.027 12.031 1.00 0.00 ATOM 864 O PHE A 105 37.760 59.900 12.473 1.00 0.00 ATOM 865 C PHE A 105 38.474 59.121 13.103 1.00 0.00 ATOM 866 N ARG A 106 39.034 59.425 14.268 1.00 0.00 ATOM 867 CA ARG A 106 38.858 60.737 14.884 1.00 0.00 ATOM 868 CB ARG A 106 38.365 60.612 16.303 1.00 0.00 ATOM 869 CG ARG A 106 38.410 61.965 17.007 1.00 0.00 ATOM 870 CD ARG A 106 37.740 61.933 18.358 1.00 0.00 ATOM 871 NE ARG A 106 36.305 61.697 18.262 1.00 0.00 ATOM 872 CZ ARG A 106 35.477 61.696 19.303 1.00 0.00 ATOM 873 NH1 ARG A 106 35.940 61.922 20.524 1.00 0.00 ATOM 874 NH2 ARG A 106 34.181 61.473 19.118 1.00 0.00 ATOM 875 O ARG A 106 41.189 60.543 15.391 1.00 0.00 ATOM 876 C ARG A 106 40.221 61.297 15.271 1.00 0.00 ATOM 877 N CYS A 107 40.307 62.616 15.454 1.00 0.00 ATOM 878 CA CYS A 107 41.573 63.209 15.864 1.00 0.00 ATOM 879 CB CYS A 107 41.811 64.529 15.129 1.00 0.00 ATOM 880 SG CYS A 107 40.607 65.824 15.509 1.00 0.00 ATOM 881 O CYS A 107 40.704 63.053 18.104 1.00 0.00 ATOM 882 C CYS A 107 41.590 63.499 17.369 1.00 0.00 ATOM 883 N GLU A 108 42.598 64.241 17.817 1.00 0.00 ATOM 884 CA GLU A 108 42.773 64.561 19.231 1.00 0.00 ATOM 885 CB GLU A 108 44.003 65.449 19.431 1.00 0.00 ATOM 886 CG GLU A 108 45.326 64.733 19.211 1.00 0.00 ATOM 887 CD GLU A 108 46.517 65.664 19.330 1.00 0.00 ATOM 888 OE1 GLU A 108 46.305 66.884 19.496 1.00 0.00 ATOM 889 OE2 GLU A 108 47.664 65.173 19.256 1.00 0.00 ATOM 890 O GLU A 108 41.551 65.359 21.133 1.00 0.00 ATOM 891 C GLU A 108 41.620 65.308 19.904 1.00 0.00 ATOM 892 N GLU A 109 40.724 65.890 19.118 1.00 0.00 ATOM 893 CA GLU A 109 39.584 66.611 19.687 1.00 0.00 ATOM 894 CB GLU A 109 39.437 67.985 19.029 1.00 0.00 ATOM 895 CG GLU A 109 40.544 68.964 19.384 1.00 0.00 ATOM 896 CD GLU A 109 40.505 70.220 18.535 1.00 0.00 ATOM 897 OE1 GLU A 109 39.635 70.306 17.642 1.00 0.00 ATOM 898 OE2 GLU A 109 41.342 71.118 18.764 1.00 0.00 ATOM 899 O GLU A 109 37.199 66.337 19.796 1.00 0.00 ATOM 900 C GLU A 109 38.282 65.846 19.476 1.00 0.00 ATOM 901 N GLN A 110 37.256 65.030 16.631 1.00 0.00 ATOM 902 CA GLN A 110 36.581 65.473 15.419 1.00 0.00 ATOM 903 CB GLN A 110 37.370 66.598 14.748 1.00 0.00 ATOM 904 CG GLN A 110 36.686 67.194 13.529 1.00 0.00 ATOM 905 CD GLN A 110 37.433 68.386 12.965 1.00 0.00 ATOM 906 OE1 GLN A 110 38.506 68.746 13.452 1.00 0.00 ATOM 907 NE2 GLN A 110 36.870 69.003 11.933 1.00 0.00 ATOM 908 O GLN A 110 37.517 63.517 14.393 1.00 0.00 ATOM 909 C GLN A 110 36.521 64.228 14.533 1.00 0.00 ATOM 910 N ILE A 111 35.355 63.952 13.956 1.00 0.00 ATOM 911 CA ILE A 111 35.203 62.779 13.095 1.00 0.00 ATOM 912 CB ILE A 111 33.719 62.415 12.895 1.00 0.00 ATOM 913 CG1 ILE A 111 33.069 62.071 14.238 1.00 0.00 ATOM 914 CG2 ILE A 111 33.585 61.213 11.973 1.00 0.00 ATOM 915 CD1 ILE A 111 31.566 61.920 14.167 1.00 0.00 ATOM 916 O ILE A 111 35.270 63.847 10.953 1.00 0.00 ATOM 917 C ILE A 111 35.807 63.055 11.726 1.00 0.00 ATOM 918 N ALA A 112 36.929 62.404 11.427 1.00 0.00 ATOM 919 CA ALA A 112 37.594 62.606 10.141 1.00 0.00 ATOM 920 CB ALA A 112 39.070 62.233 10.254 1.00 0.00 ATOM 921 O ALA A 112 36.650 62.315 7.954 1.00 0.00 ATOM 922 C ALA A 112 36.901 61.804 9.044 1.00 0.00 ATOM 923 N ALA A 113 36.608 60.545 9.343 1.00 0.00 ATOM 924 CA ALA A 113 35.911 59.670 8.412 1.00 0.00 ATOM 925 CB ALA A 113 36.854 59.241 7.298 1.00 0.00 ATOM 926 O ALA A 113 35.678 58.195 10.298 1.00 0.00 ATOM 927 C ALA A 113 35.374 58.435 9.127 1.00 0.00 ATOM 928 N HIS A 114 34.537 57.670 8.436 1.00 0.00 ATOM 929 CA HIS A 114 33.969 56.461 9.016 1.00 0.00 ATOM 930 CB HIS A 114 32.598 56.728 9.641 1.00 0.00 ATOM 931 CG HIS A 114 31.559 57.160 8.655 1.00 0.00 ATOM 932 CD2 HIS A 114 31.066 58.436 8.156 1.00 0.00 ATOM 933 ND1 HIS A 114 30.780 56.264 7.953 1.00 0.00 ATOM 934 CE1 HIS A 114 29.944 56.945 7.151 1.00 0.00 ATOM 935 NE2 HIS A 114 30.110 58.249 7.266 1.00 0.00 ATOM 936 O HIS A 114 33.721 55.762 6.736 1.00 0.00 ATOM 937 C HIS A 114 33.821 55.425 7.921 1.00 0.00 ATOM 938 N ALA A 115 33.808 54.163 8.315 1.00 0.00 ATOM 939 CA ALA A 115 33.696 53.095 7.341 1.00 0.00 ATOM 940 CB ALA A 115 35.101 52.653 6.822 1.00 0.00 ATOM 941 O ALA A 115 32.792 51.661 9.037 1.00 0.00 ATOM 942 C ALA A 115 32.915 51.894 7.835 1.00 0.00 ATOM 943 N LEU A 116 32.337 51.169 6.886 1.00 0.00 ATOM 944 CA LEU A 116 31.627 49.934 7.170 1.00 0.00 ATOM 945 CB LEU A 116 30.157 50.069 6.767 1.00 0.00 ATOM 946 CG LEU A 116 29.285 48.826 6.956 1.00 0.00 ATOM 947 CD1 LEU A 116 29.179 48.462 8.429 1.00 0.00 ATOM 948 CD2 LEU A 116 27.881 49.069 6.424 1.00 0.00 ATOM 949 O LEU A 116 32.514 49.114 5.101 1.00 0.00 ATOM 950 C LEU A 116 32.386 48.932 6.316 1.00 0.00 ATOM 951 N ILE A 117 32.905 47.890 6.951 1.00 0.00 ATOM 952 CA ILE A 117 33.703 46.907 6.245 1.00 0.00 ATOM 953 CB ILE A 117 35.150 46.871 6.771 1.00 0.00 ATOM 954 CG1 ILE A 117 35.819 48.235 6.584 1.00 0.00 ATOM 955 CG2 ILE A 117 35.964 45.828 6.019 1.00 0.00 ATOM 956 CD1 ILE A 117 37.172 48.347 7.251 1.00 0.00 ATOM 957 O ILE A 117 33.016 44.962 7.463 1.00 0.00 ATOM 958 C ILE A 117 33.183 45.486 6.360 1.00 0.00 ATOM 959 N ARG A 118 32.889 44.879 5.215 1.00 0.00 ATOM 960 CA ARG A 118 32.431 43.498 5.194 1.00 0.00 ATOM 961 CB ARG A 118 31.428 43.283 4.057 1.00 0.00 ATOM 962 CG ARG A 118 30.821 41.890 4.021 1.00 0.00 ATOM 963 CD ARG A 118 29.813 41.757 2.893 1.00 0.00 ATOM 964 NE ARG A 118 29.246 40.412 2.820 1.00 0.00 ATOM 965 CZ ARG A 118 28.564 39.944 1.780 1.00 0.00 ATOM 966 NH1 ARG A 118 28.087 38.708 1.802 1.00 0.00 ATOM 967 NH2 ARG A 118 28.362 40.714 0.719 1.00 0.00 ATOM 968 O ARG A 118 34.327 42.733 3.944 1.00 0.00 ATOM 969 C ARG A 118 33.671 42.638 4.982 1.00 0.00 ATOM 970 N HIS A 119 33.987 41.805 5.970 1.00 0.00 ATOM 971 CA HIS A 119 35.156 40.940 5.908 1.00 0.00 ATOM 972 CB HIS A 119 35.652 40.886 7.295 1.00 0.00 ATOM 973 CG HIS A 119 36.758 41.893 7.283 1.00 0.00 ATOM 974 CD2 HIS A 119 36.774 43.200 7.630 1.00 0.00 ATOM 975 ND1 HIS A 119 37.993 41.628 6.726 1.00 0.00 ATOM 976 CE1 HIS A 119 38.718 42.733 6.729 1.00 0.00 ATOM 977 NE2 HIS A 119 38.002 43.702 7.271 1.00 0.00 ATOM 978 O HIS A 119 33.904 39.022 6.626 1.00 0.00 ATOM 979 C HIS A 119 34.749 39.475 5.853 1.00 0.00 ATOM 980 N LEU A 120 35.358 38.735 4.935 1.00 0.00 ATOM 981 CA LEU A 120 35.050 37.322 4.779 1.00 0.00 ATOM 982 CB LEU A 120 34.672 37.005 3.330 1.00 0.00 ATOM 983 CG LEU A 120 34.326 35.547 3.023 1.00 0.00 ATOM 984 CD1 LEU A 120 33.042 35.138 3.727 1.00 0.00 ATOM 985 CD2 LEU A 120 34.134 35.344 1.528 1.00 0.00 ATOM 986 O LEU A 120 37.353 36.694 4.713 1.00 0.00 ATOM 987 C LEU A 120 36.231 36.443 5.151 1.00 0.00 ATOM 988 N ALA A 121 35.982 35.389 5.886 1.00 0.00 ATOM 989 CA ALA A 121 37.020 34.430 6.242 1.00 0.00 ATOM 990 CB ALA A 121 36.598 33.640 7.472 1.00 0.00 ATOM 991 O ALA A 121 36.281 33.002 4.467 1.00 0.00 ATOM 992 C ALA A 121 37.242 33.498 5.061 1.00 0.00 ATOM 993 N ILE A 122 38.498 33.257 4.713 1.00 0.00 ATOM 994 CA ILE A 122 38.785 32.391 3.580 1.00 0.00 ATOM 995 CB ILE A 122 39.078 33.205 2.306 1.00 0.00 ATOM 996 CG1 ILE A 122 40.286 34.119 2.523 1.00 0.00 ATOM 997 CG2 ILE A 122 37.881 34.068 1.938 1.00 0.00 ATOM 998 CD1 ILE A 122 40.768 34.803 1.263 1.00 0.00 ATOM 999 O ILE A 122 40.741 31.628 4.753 1.00 0.00 ATOM 1000 C ILE A 122 39.976 31.477 3.795 1.00 0.00 ATOM 1001 N ASN A 123 40.080 30.490 2.914 1.00 0.00 ATOM 1002 CA ASN A 123 41.198 29.568 2.898 1.00 0.00 ATOM 1003 CB ASN A 123 40.750 28.185 2.423 1.00 0.00 ATOM 1004 CG ASN A 123 39.902 27.463 3.452 1.00 0.00 ATOM 1005 ND2 ASN A 123 39.086 26.522 2.990 1.00 0.00 ATOM 1006 OD1 ASN A 123 39.980 27.749 4.647 1.00 0.00 ATOM 1007 O ASN A 123 41.730 30.486 0.752 1.00 0.00 ATOM 1008 C ASN A 123 42.102 30.302 1.908 1.00 0.00 ATOM 1009 N ALA A 124 43.241 30.831 2.383 1.00 0.00 ATOM 1010 CA ALA A 124 44.204 31.577 1.566 1.00 0.00 ATOM 1011 CB ALA A 124 45.449 31.897 2.376 1.00 0.00 ATOM 1012 O ALA A 124 44.955 31.568 -0.709 1.00 0.00 ATOM 1013 C ALA A 124 44.714 30.899 0.298 1.00 0.00 ATOM 1014 N GLN A 125 44.920 29.586 0.357 1.00 0.00 ATOM 1015 CA GLN A 125 45.432 28.854 -0.796 1.00 0.00 ATOM 1016 CB GLN A 125 45.775 27.396 -0.357 1.00 0.00 ATOM 1017 CG GLN A 125 47.085 27.252 0.396 1.00 0.00 ATOM 1018 CD GLN A 125 48.249 27.886 -0.347 1.00 0.00 ATOM 1019 OE1 GLN A 125 48.447 27.644 -1.539 1.00 0.00 ATOM 1020 NE2 GLN A 125 49.028 28.702 0.356 1.00 0.00 ATOM 1021 O GLN A 125 44.947 29.005 -3.137 1.00 0.00 ATOM 1022 C GLN A 125 44.471 28.848 -1.962 1.00 0.00 ATOM 1023 N THR A 126 43.188 28.685 -1.691 1.00 0.00 ATOM 1024 CA THR A 126 42.179 28.694 -2.755 1.00 0.00 ATOM 1025 CB THR A 126 41.185 27.537 -2.536 1.00 0.00 ATOM 1026 CG2 THR A 126 41.917 26.205 -2.500 1.00 0.00 ATOM 1027 OG1 THR A 126 40.497 27.724 -1.292 1.00 0.00 ATOM 1028 O THR A 126 40.656 30.219 -3.795 1.00 0.00 ATOM 1029 C THR A 126 41.411 30.024 -2.819 1.00 0.00 ATOM 1030 N ARG A 127 41.603 30.837 -1.830 1.00 0.00 ATOM 1031 CA ARG A 127 40.885 32.121 -1.759 1.00 0.00 ATOM 1032 CB ARG A 127 41.267 33.032 -2.927 1.00 0.00 ATOM 1033 CG ARG A 127 42.723 33.462 -2.928 1.00 0.00 ATOM 1034 CD ARG A 127 42.990 34.511 -3.994 1.00 0.00 ATOM 1035 NE ARG A 127 44.418 34.762 -4.172 1.00 0.00 ATOM 1036 CZ ARG A 127 44.920 35.647 -5.028 1.00 0.00 ATOM 1037 NH1 ARG A 127 46.233 35.807 -5.122 1.00 0.00 ATOM 1038 NH2 ARG A 127 44.109 36.370 -5.787 1.00 0.00 ATOM 1039 O ARG A 127 38.601 32.597 -2.429 1.00 0.00 ATOM 1040 C ARG A 127 39.376 31.890 -1.799 1.00 0.00 ATOM 1041 N HIS A 128 39.063 30.951 -0.989 1.00 0.00 ATOM 1042 CA HIS A 128 37.663 30.503 -1.026 1.00 0.00 ATOM 1043 CB HIS A 128 37.588 29.051 -1.506 1.00 0.00 ATOM 1044 CG HIS A 128 36.195 28.508 -1.573 1.00 0.00 ATOM 1045 CD2 HIS A 128 35.433 27.510 -0.837 1.00 0.00 ATOM 1046 ND1 HIS A 128 35.269 28.945 -2.496 1.00 0.00 ATOM 1047 CE1 HIS A 128 34.117 28.277 -2.310 1.00 0.00 ATOM 1048 NE2 HIS A 128 34.207 27.415 -1.317 1.00 0.00 ATOM 1049 O HIS A 128 37.834 30.234 1.354 1.00 0.00 ATOM 1050 C HIS A 128 37.160 30.639 0.407 1.00 0.00 ATOM 1051 N ARG A 129 35.954 31.199 0.583 1.00 0.00 ATOM 1052 CA ARG A 129 35.376 31.383 1.916 1.00 0.00 ATOM 1053 CB ARG A 129 33.939 31.899 1.811 1.00 0.00 ATOM 1054 CG ARG A 129 32.958 30.889 1.239 1.00 0.00 ATOM 1055 CD ARG A 129 31.602 31.524 0.975 1.00 0.00 ATOM 1056 NE ARG A 129 30.622 30.548 0.506 1.00 0.00 ATOM 1057 CZ ARG A 129 30.544 30.111 -0.747 1.00 0.00 ATOM 1058 NH1 ARG A 129 29.620 29.221 -1.081 1.00 0.00 ATOM 1059 NH2 ARG A 129 31.390 30.563 -1.661 1.00 0.00 ATOM 1060 O ARG A 129 35.097 29.023 2.270 1.00 0.00 ATOM 1061 C ARG A 129 35.308 30.126 2.773 1.00 0.00 ATOM 1062 N CYS A 130 35.467 30.308 4.079 1.00 0.00 ATOM 1063 CA CYS A 130 35.383 29.206 5.024 1.00 0.00 ATOM 1064 CB CYS A 130 36.777 28.650 5.323 1.00 0.00 ATOM 1065 SG CYS A 130 37.897 29.827 6.114 1.00 0.00 ATOM 1066 O CYS A 130 34.834 30.945 6.581 1.00 0.00 ATOM 1067 C CYS A 130 34.755 29.745 6.296 1.00 0.00 ATOM 1068 N ALA A 131 34.128 28.859 7.059 1.00 0.00 ATOM 1069 CA ALA A 131 33.481 29.252 8.298 1.00 0.00 ATOM 1070 CB ALA A 131 32.851 28.044 8.975 1.00 0.00 ATOM 1071 O ALA A 131 35.635 29.416 9.345 1.00 0.00 ATOM 1072 C ALA A 131 34.491 29.867 9.256 1.00 0.00 ATOM 1073 N LEU A 132 34.070 30.907 9.960 1.00 0.00 ATOM 1074 CA LEU A 132 34.941 31.563 10.925 1.00 0.00 ATOM 1075 CB LEU A 132 34.208 32.718 11.611 1.00 0.00 ATOM 1076 CG LEU A 132 33.851 33.914 10.728 1.00 0.00 ATOM 1077 CD1 LEU A 132 33.015 34.923 11.501 1.00 0.00 ATOM 1078 CD2 LEU A 132 35.109 34.615 10.239 1.00 0.00 ATOM 1079 O LEU A 132 34.536 29.762 12.456 1.00 0.00 ATOM 1080 C LEU A 132 35.358 30.544 11.979 1.00 0.00 ATOM 1081 N PRO A 133 36.645 30.528 12.348 1.00 0.00 ATOM 1082 CA PRO A 133 37.085 29.567 13.364 1.00 0.00 ATOM 1083 CB PRO A 133 38.562 29.902 13.577 1.00 0.00 ATOM 1084 CG PRO A 133 38.984 30.559 12.306 1.00 0.00 ATOM 1085 CD PRO A 133 37.809 31.379 11.850 1.00 0.00 ATOM 1086 O PRO A 133 35.865 30.869 14.966 1.00 0.00 ATOM 1087 C PRO A 133 36.262 29.751 14.637 1.00 0.00 ATOM 1088 N GLU A 134 35.962 28.656 15.320 1.00 0.00 ATOM 1089 CA GLU A 134 35.176 28.733 16.551 1.00 0.00 ATOM 1090 CB GLU A 134 35.092 27.359 17.219 1.00 0.00 ATOM 1091 CG GLU A 134 34.243 27.333 18.481 1.00 0.00 ATOM 1092 CD GLU A 134 34.132 25.945 19.080 1.00 0.00 ATOM 1093 OE1 GLU A 134 34.701 24.998 18.496 1.00 0.00 ATOM 1094 OE2 GLU A 134 33.477 25.803 20.133 1.00 0.00 ATOM 1095 O GLU A 134 34.949 30.416 18.250 1.00 0.00 ATOM 1096 C GLU A 134 35.722 29.689 17.626 1.00 0.00 ATOM 1097 N GLY A 135 37.032 29.704 17.854 1.00 0.00 ATOM 1098 CA GLY A 135 37.567 30.619 18.865 1.00 0.00 ATOM 1099 O GLY A 135 37.165 32.970 19.195 1.00 0.00 ATOM 1100 C GLY A 135 37.428 32.074 18.386 1.00 0.00 ATOM 1101 N ILE A 136 37.563 32.308 17.076 1.00 0.00 ATOM 1102 CA ILE A 136 37.408 33.666 16.534 1.00 0.00 ATOM 1103 CB ILE A 136 37.913 33.699 15.058 1.00 0.00 ATOM 1104 CG1 ILE A 136 39.435 33.495 15.034 1.00 0.00 ATOM 1105 CG2 ILE A 136 37.520 35.018 14.394 1.00 0.00 ATOM 1106 CD1 ILE A 136 40.034 33.364 13.643 1.00 0.00 ATOM 1107 O ILE A 136 35.701 35.275 17.061 1.00 0.00 ATOM 1108 C ILE A 136 35.958 34.117 16.728 1.00 0.00 ATOM 1109 N ASP A 137 35.014 33.194 16.551 1.00 0.00 ATOM 1110 CA ASP A 137 33.600 33.503 16.726 1.00 0.00 ATOM 1111 CB ASP A 137 32.701 32.308 16.402 1.00 0.00 ATOM 1112 CG ASP A 137 32.652 31.973 14.930 1.00 0.00 ATOM 1113 OD1 ASP A 137 32.977 32.813 14.071 1.00 0.00 ATOM 1114 OD2 ASP A 137 32.264 30.856 14.545 1.00 0.00 ATOM 1115 O ASP A 137 32.626 34.864 18.449 1.00 0.00 ATOM 1116 C ASP A 137 33.332 33.885 18.182 1.00 0.00 ATOM 1117 N ARG A 138 33.878 33.130 19.121 1.00 0.00 ATOM 1118 CA ARG A 138 33.696 33.433 20.540 1.00 0.00 ATOM 1119 CB ARG A 138 34.333 32.346 21.408 1.00 0.00 ATOM 1120 CG ARG A 138 33.593 31.018 21.379 1.00 0.00 ATOM 1121 CD ARG A 138 34.320 29.964 22.199 1.00 0.00 ATOM 1122 NE ARG A 138 33.625 28.679 22.179 1.00 0.00 ATOM 1123 CZ ARG A 138 34.087 27.571 22.748 1.00 0.00 ATOM 1124 NH1 ARG A 138 33.386 26.448 22.678 1.00 0.00 ATOM 1125 NH2 ARG A 138 35.249 27.588 23.387 1.00 0.00 ATOM 1126 O ARG A 138 33.737 35.612 21.562 1.00 0.00 ATOM 1127 C ARG A 138 34.337 34.789 20.861 1.00 0.00 ATOM 1128 N TRP A 139 35.527 35.020 20.330 1.00 0.00 ATOM 1129 CA TRP A 139 36.211 36.294 20.550 1.00 0.00 ATOM 1130 CB TRP A 139 37.553 36.328 19.816 1.00 0.00 ATOM 1131 CG TRP A 139 38.571 35.388 20.384 1.00 0.00 ATOM 1132 CD1 TRP A 139 38.471 34.673 21.543 1.00 0.00 ATOM 1133 CD2 TRP A 139 39.845 35.058 19.817 1.00 0.00 ATOM 1134 CE2 TRP A 139 40.463 34.138 20.687 1.00 0.00 ATOM 1135 CE3 TRP A 139 40.523 35.450 18.660 1.00 0.00 ATOM 1136 NE1 TRP A 139 39.604 33.920 21.734 1.00 0.00 ATOM 1137 CZ2 TRP A 139 41.726 33.604 20.436 1.00 0.00 ATOM 1138 CZ3 TRP A 139 41.775 34.919 18.414 1.00 0.00 ATOM 1139 CH2 TRP A 139 42.366 34.008 19.296 1.00 0.00 ATOM 1140 O TRP A 139 35.100 38.414 20.766 1.00 0.00 ATOM 1141 C TRP A 139 35.331 37.452 20.053 1.00 0.00 ATOM 1142 N LEU A 140 34.811 37.368 18.839 1.00 0.00 ATOM 1143 CA LEU A 140 34.023 38.444 18.266 1.00 0.00 ATOM 1144 CB LEU A 140 34.082 38.419 16.737 1.00 0.00 ATOM 1145 CG LEU A 140 35.457 38.641 16.106 1.00 0.00 ATOM 1146 CD1 LEU A 140 35.385 38.496 14.595 1.00 0.00 ATOM 1147 CD2 LEU A 140 35.975 40.035 16.425 1.00 0.00 ATOM 1148 O LEU A 140 31.858 39.339 18.794 1.00 0.00 ATOM 1149 C LEU A 140 32.558 38.327 18.678 1.00 0.00 ATOM 1150 N GLU A 141 32.074 36.989 18.848 1.00 0.00 ATOM 1151 CA GLU A 141 30.696 36.760 19.268 1.00 0.00 ATOM 1152 CB GLU A 141 30.413 35.261 19.382 1.00 0.00 ATOM 1153 CG GLU A 141 28.977 34.928 19.754 1.00 0.00 ATOM 1154 CD GLU A 141 28.719 33.434 19.802 1.00 0.00 ATOM 1155 OE1 GLU A 141 29.659 32.661 19.524 1.00 0.00 ATOM 1156 OE2 GLU A 141 27.577 33.039 20.116 1.00 0.00 ATOM 1157 O GLU A 141 29.345 37.973 20.827 1.00 0.00 ATOM 1158 C GLU A 141 30.415 37.403 20.615 1.00 0.00 ATOM 1159 N ALA A 142 31.352 37.280 21.540 1.00 0.00 ATOM 1160 CA ALA A 142 31.199 37.862 22.865 1.00 0.00 ATOM 1161 CB ALA A 142 32.245 37.432 23.832 1.00 0.00 ATOM 1162 O ALA A 142 30.248 40.007 23.344 1.00 0.00 ATOM 1163 C ALA A 142 31.091 39.373 22.714 1.00 0.00 ATOM 1164 N SER A 143 31.929 39.944 21.857 1.00 0.00 ATOM 1165 CA SER A 143 31.925 41.378 21.634 1.00 0.00 ATOM 1166 CB SER A 143 33.025 41.768 20.645 1.00 0.00 ATOM 1167 OG SER A 143 34.310 41.504 21.183 1.00 0.00 ATOM 1168 O SER A 143 30.014 42.803 21.591 1.00 0.00 ATOM 1169 C SER A 143 30.582 41.853 21.078 1.00 0.00 ATOM 1170 N GLY A 144 30.087 41.176 20.050 1.00 0.00 ATOM 1171 CA GLY A 144 28.836 41.552 19.396 1.00 0.00 ATOM 1172 O GLY A 144 26.537 41.808 19.967 1.00 0.00 ATOM 1173 C GLY A 144 27.605 41.252 20.243 1.00 0.00 ATOM 1174 N VAL A 145 27.746 40.395 21.265 1.00 0.00 ATOM 1175 CA VAL A 145 26.681 40.185 22.242 1.00 0.00 ATOM 1176 CB VAL A 145 26.595 38.709 22.677 1.00 0.00 ATOM 1177 CG1 VAL A 145 26.310 37.816 21.479 1.00 0.00 ATOM 1178 CG2 VAL A 145 27.906 38.264 23.308 1.00 0.00 ATOM 1179 O VAL A 145 26.028 40.921 24.395 1.00 0.00 ATOM 1180 C VAL A 145 26.857 40.995 23.517 1.00 0.00 ATOM 1181 N GLY A 146 27.909 41.807 23.606 1.00 0.00 ATOM 1182 CA GLY A 146 28.133 42.641 24.786 1.00 0.00 ATOM 1183 O GLY A 146 28.598 42.453 27.100 1.00 0.00 ATOM 1184 C GLY A 146 28.652 41.918 26.017 1.00 0.00 ATOM 1185 N LYS A 147 29.191 40.716 25.852 1.00 0.00 ATOM 1186 CA LYS A 147 29.715 39.943 26.989 1.00 0.00 ATOM 1187 CB LYS A 147 29.498 38.446 26.757 1.00 0.00 ATOM 1188 CG LYS A 147 28.037 38.034 26.682 1.00 0.00 ATOM 1189 CD LYS A 147 27.895 36.555 26.364 1.00 0.00 ATOM 1190 CE LYS A 147 26.437 36.127 26.367 1.00 0.00 ATOM 1191 NZ LYS A 147 26.284 34.675 26.072 1.00 0.00 ATOM 1192 O LYS A 147 32.073 39.401 26.764 1.00 0.00 ATOM 1193 C LYS A 147 31.221 40.213 27.150 1.00 0.00 ATOM 1194 N ILE A 148 31.527 41.379 27.719 1.00 0.00 ATOM 1195 CA ILE A 148 32.902 41.901 27.770 1.00 0.00 ATOM 1196 CB ILE A 148 32.883 43.412 28.227 1.00 0.00 ATOM 1197 CG1 ILE A 148 34.252 44.064 28.071 1.00 0.00 ATOM 1198 CG2 ILE A 148 32.375 43.560 29.661 1.00 0.00 ATOM 1199 CD1 ILE A 148 34.770 44.123 26.680 1.00 0.00 ATOM 1200 O ILE A 148 35.052 40.928 28.270 1.00 0.00 ATOM 1201 C ILE A 148 33.864 41.057 28.613 1.00 0.00 ATOM 1202 N GLY A 149 33.294 40.416 29.632 1.00 0.00 ATOM 1203 CA GLY A 149 34.069 39.565 30.543 1.00 0.00 ATOM 1204 O GLY A 149 35.587 37.723 30.426 1.00 0.00 ATOM 1205 C GLY A 149 34.710 38.333 29.856 1.00 0.00 ATOM 1206 N SER A 150 34.232 37.953 28.671 1.00 0.00 ATOM 1207 CA SER A 150 34.747 36.782 27.962 1.00 0.00 ATOM 1208 CB SER A 150 33.603 35.842 27.575 1.00 0.00 ATOM 1209 OG SER A 150 32.669 36.497 26.735 1.00 0.00 ATOM 1210 O SER A 150 35.872 36.439 25.851 1.00 0.00 ATOM 1211 C SER A 150 35.473 37.250 26.689 1.00 0.00 ATOM 1212 N ILE A 151 35.639 38.632 26.509 1.00 0.00 ATOM 1213 CA ILE A 151 36.392 39.187 25.383 1.00 0.00 ATOM 1214 CB ILE A 151 35.490 40.045 24.408 1.00 0.00 ATOM 1215 CG1 ILE A 151 34.785 41.154 25.192 1.00 0.00 ATOM 1216 CG2 ILE A 151 34.486 39.154 23.670 1.00 0.00 ATOM 1217 CD1 ILE A 151 34.122 42.200 24.274 1.00 0.00 ATOM 1218 O ILE A 151 37.565 40.624 26.884 1.00 0.00 ATOM 1219 C ILE A 151 37.599 39.984 25.832 1.00 0.00 ENDMDL EXPDTA 2hx5A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hx5A ATOM 1 N MET 1 38.682 41.215 31.329 1.00 0.00 ATOM 2 CA MET 1 39.000 42.169 30.211 1.00 0.00 ATOM 3 CB MET 1 40.315 41.880 29.402 1.00 0.00 ATOM 4 CG MET 1 40.853 43.043 28.509 1.00 0.00 ATOM 5 SD MET 1 42.253 42.566 27.115 1.00 0.00 ATOM 6 CE MET 1 43.867 43.256 28.068 1.00 0.00 ATOM 7 O MET 1 36.927 42.653 29.045 1.00 0.00 ATOM 8 C MET 1 37.920 43.133 29.607 1.00 0.00 ATOM 9 N ASN 2 38.086 44.447 29.778 1.00 0.00 ATOM 10 CA ASN 2 37.156 45.440 29.212 1.00 0.00 ATOM 11 CB ASN 2 37.358 46.785 29.903 1.00 0.00 ATOM 12 CG ASN 2 36.672 47.940 29.182 1.00 0.00 ATOM 13 ND2 ASN 2 37.031 49.163 29.508 1.00 0.00 ATOM 14 OD1 ASN 2 35.791 47.708 28.349 1.00 0.00 ATOM 15 O ASN 2 38.560 45.836 27.318 1.00 0.00 ATOM 16 C ASN 2 37.418 45.582 27.697 1.00 0.00 ATOM 17 N PRO 3 36.384 45.378 26.844 1.00 0.00 ATOM 18 CA PRO 3 36.535 45.491 25.369 1.00 0.00 ATOM 19 CB PRO 3 35.104 45.311 24.821 1.00 0.00 ATOM 20 CG PRO 3 34.195 45.204 26.026 1.00 0.00 ATOM 21 CD PRO 3 35.038 44.904 27.216 1.00 0.00 ATOM 22 O PRO 3 37.717 46.808 23.770 1.00 0.00 ATOM 23 C PRO 3 37.133 46.791 24.845 1.00 0.00 ATOM 24 N GLU 4 37.002 47.886 25.560 1.00 0.00 ATOM 25 CA GLU 4 37.686 49.114 25.151 1.00 0.00 ATOM 26 CB GLU 4 37.500 50.214 26.195 1.00 0.00 ATOM 27 CG GLU 4 36.078 50.629 26.419 1.00 0.00 ATOM 28 CD GLU 4 35.953 51.628 27.572 1.00 0.00 ATOM 29 OE1 GLU 4 36.971 52.290 27.909 1.00 0.00 ATOM 30 OE2 GLU 4 34.836 51.738 28.134 1.00 0.00 ATOM 31 O GLU 4 39.837 49.568 24.192 1.00 0.00 ATOM 32 C GLU 4 39.187 48.891 24.989 1.00 0.00 ATOM 33 N ASN 5 39.742 47.945 25.742 1.00 0.00 ATOM 34 CA ASN 5 41.145 47.633 25.668 1.00 0.00 ATOM 35 CB ASN 5 41.525 46.524 26.654 1.00 0.00 ATOM 36 CG ASN 5 41.507 46.979 28.089 1.00 0.00 ATOM 37 ND2 ASN 5 41.495 48.282 28.302 1.00 0.00 ATOM 38 OD1 ASN 5 41.509 46.155 29.001 1.00 0.00 ATOM 39 O ASN 5 42.678 47.463 23.823 1.00 0.00 ATOM 40 C ASN 5 41.532 47.202 24.252 1.00 0.00 ATOM 41 N TRP 6 40.613 46.550 23.524 1.00 0.00 ATOM 42 CA TRP 6 40.960 46.153 22.159 1.00 0.00 ATOM 43 CB TRP 6 40.887 44.629 21.958 1.00 0.00 ATOM 44 CG TRP 6 39.520 43.993 22.145 1.00 0.00 ATOM 45 CD1 TRP 6 38.553 43.852 21.178 1.00 0.00 ATOM 46 CD2 TRP 6 38.993 43.379 23.308 1.00 0.00 ATOM 47 CE2 TRP 6 37.686 42.916 22.992 1.00 0.00 ATOM 48 CE3 TRP 6 39.472 43.198 24.605 1.00 0.00 ATOM 49 NE1 TRP 6 37.468 43.215 21.668 1.00 0.00 ATOM 50 CZ2 TRP 6 36.884 42.257 23.914 1.00 0.00 ATOM 51 CZ3 TRP 6 38.683 42.542 25.500 1.00 0.00 ATOM 52 CH2 TRP 6 37.405 42.093 25.167 1.00 0.00 ATOM 53 O TRP 6 40.494 46.673 19.862 1.00 0.00 ATOM 54 C TRP 6 40.159 46.844 21.037 1.00 0.00 ATOM 55 N LEU 7 39.132 47.616 21.406 1.00 0.00 ATOM 56 CA LEU 7 38.290 48.356 20.425 1.00 0.00 ATOM 57 CB LEU 7 36.805 48.113 20.711 1.00 0.00 ATOM 58 CG LEU 7 36.303 46.671 20.640 1.00 0.00 ATOM 59 CD1 LEU 7 34.798 46.584 21.052 1.00 0.00 ATOM 60 CD2 LEU 7 36.503 46.047 19.289 1.00 0.00 ATOM 61 O LEU 7 38.080 50.489 19.400 1.00 0.00 ATOM 62 C LEU 7 38.548 49.844 20.338 1.00 0.00 ATOM 63 N LEU 8 39.252 50.390 21.323 1.00 0.00 ATOM 64 CA LEU 8 39.647 51.794 21.328 1.00 0.00 ATOM 65 CB LEU 8 39.259 52.522 22.626 1.00 0.00 ATOM 66 CG LEU 8 37.785 52.549 22.970 1.00 0.00 ATOM 67 CD1 LEU 8 37.524 53.348 24.295 1.00 0.00 ATOM 68 CD2 LEU 8 37.003 53.173 21.828 1.00 0.00 ATOM 69 O LEU 8 41.901 51.440 22.036 1.00 0.00 ATOM 70 C LEU 8 41.137 51.851 21.143 1.00 0.00 ATOM 71 N LEU 9 41.570 52.334 19.996 1.00 0.00 ATOM 72 CA LEU 9 42.954 52.277 19.639 1.00 0.00 ATOM 73 CB LEU 9 43.166 51.244 18.510 1.00 0.00 ATOM 74 CG LEU 9 42.708 49.804 18.869 1.00 0.00 ATOM 75 CD1 LEU 9 42.671 48.891 17.651 1.00 0.00 ATOM 76 CD2 LEU 9 43.595 49.202 19.996 1.00 0.00 ATOM 77 O LEU 9 42.572 54.612 19.186 1.00 0.00 ATOM 78 C LEU 9 43.388 53.684 19.247 1.00 0.00 ATOM 79 N ARG 10 44.684 53.880 19.058 1.00 0.00 ATOM 80 CA ARG 10 45.230 55.182 18.775 1.00 0.00 ATOM 81 CB ARG 10 45.854 55.785 20.029 1.00 0.00 ATOM 82 CG ARG 10 46.607 57.107 19.800 1.00 0.00 ATOM 83 CD ARG 10 47.114 57.650 21.157 1.00 0.00 ATOM 84 NE ARG 10 47.841 58.922 21.052 1.00 0.00 ATOM 85 CZ ARG 10 49.092 59.061 20.606 1.00 0.00 ATOM 86 NH1 ARG 10 49.805 58.006 20.196 1.00 0.00 ATOM 87 NH2 ARG 10 49.643 60.277 20.576 1.00 0.00 ATOM 88 O ARG 10 47.050 54.103 17.656 1.00 0.00 ATOM 89 C ARG 10 46.310 55.086 17.717 1.00 0.00 ATOM 90 N ARG 11 46.371 56.093 16.868 1.00 0.00 ATOM 91 CA ARG 11 47.546 56.243 16.016 1.00 0.00 ATOM 92 CB ARG 11 47.463 55.390 14.760 1.00 0.00 ATOM 93 CG ARG 11 46.523 55.912 13.689 1.00 0.00 ATOM 94 CD ARG 11 46.520 54.980 12.459 1.00 0.00 ATOM 95 NE ARG 11 47.794 54.879 11.762 1.00 0.00 ATOM 96 CZ ARG 11 48.424 53.730 11.388 1.00 0.00 ATOM 97 NH1 ARG 11 48.003 52.506 11.664 1.00 0.00 ATOM 98 NH2 ARG 11 49.520 53.848 10.683 1.00 0.00 ATOM 99 O ARG 11 46.931 58.567 15.697 1.00 0.00 ATOM 100 C ARG 11 47.794 57.692 15.647 1.00 0.00 ATOM 101 N VAL 12 49.031 57.913 15.244 1.00 0.00 ATOM 102 CA VAL 12 49.496 59.232 14.861 1.00 0.00 ATOM 103 CB VAL 12 50.793 59.668 15.613 1.00 0.00 ATOM 104 CG1 VAL 12 51.175 61.087 15.248 1.00 0.00 ATOM 105 CG2 VAL 12 50.588 59.454 17.149 1.00 0.00 ATOM 106 O VAL 12 50.429 58.279 12.813 1.00 0.00 ATOM 107 C VAL 12 49.772 59.203 13.349 1.00 0.00 ATOM 108 N VAL 13 49.221 60.208 12.670 1.00 0.00 ATOM 109 CA VAL 13 49.373 60.395 11.235 1.00 0.00 ATOM 110 CB VAL 13 48.426 61.502 10.687 1.00 0.00 ATOM 111 CG1 VAL 13 48.588 61.649 9.191 1.00 0.00 ATOM 112 CG2 VAL 13 46.947 61.206 11.091 1.00 0.00 ATOM 113 O VAL 13 51.406 61.653 11.576 1.00 0.00 ATOM 114 C VAL 13 50.860 60.769 10.946 1.00 0.00 ATOM 115 N ARG 14 51.512 60.070 10.008 1.00 0.00 ATOM 116 CA ARG 14 52.912 60.312 9.715 1.00 0.00 ATOM 117 CB ARG 14 53.671 58.996 9.762 1.00 0.00 ATOM 118 CG ARG 14 53.647 58.339 11.151 1.00 0.00 ATOM 119 CD ARG 14 54.261 59.179 12.219 1.00 0.00 ATOM 120 NE ARG 14 54.282 58.527 13.564 1.00 0.00 ATOM 121 CZ ARG 14 54.435 59.195 14.700 1.00 0.00 ATOM 122 NH1 ARG 14 54.653 60.497 14.759 1.00 0.00 ATOM 123 NH2 ARG 14 54.431 58.532 15.831 1.00 0.00 ATOM 124 O ARG 14 52.108 61.042 7.539 1.00 0.00 ATOM 125 C ARG 14 53.067 61.002 8.350 1.00 0.00 ATOM 126 N PHE 15 54.235 61.584 8.153 1.00 0.00 ATOM 127 CA PHE 15 54.484 62.490 7.039 1.00 0.00 ATOM 128 CB PHE 15 55.900 63.002 7.101 1.00 0.00 ATOM 129 CG PHE 15 56.211 64.000 6.097 1.00 0.00 ATOM 130 CD1 PHE 15 55.516 65.204 6.080 1.00 0.00 ATOM 131 CD2 PHE 15 57.208 63.803 5.211 1.00 0.00 ATOM 132 CE1 PHE 15 55.825 66.149 5.138 1.00 0.00 ATOM 133 CE2 PHE 15 57.538 64.800 4.277 1.00 0.00 ATOM 134 CZ PHE 15 56.847 65.919 4.263 1.00 0.00 ATOM 135 O PHE 15 53.599 62.345 4.769 1.00 0.00 ATOM 136 C PHE 15 54.215 61.779 5.689 1.00 0.00 ATOM 137 N GLY 16 54.678 60.539 5.529 1.00 0.00 ATOM 138 CA GLY 16 54.489 59.757 4.304 1.00 0.00 ATOM 139 O GLY 16 52.777 58.906 2.884 1.00 0.00 ATOM 140 C GLY 16 53.057 59.385 4.004 1.00 0.00 ATOM 141 N ASP 17 52.155 59.575 4.979 1.00 0.00 ATOM 142 CA ASP 17 50.741 59.313 4.779 1.00 0.00 ATOM 143 CB ASP 17 50.045 59.105 6.108 1.00 0.00 ATOM 144 CG ASP 17 50.610 57.941 6.908 1.00 0.00 ATOM 145 OD1 ASP 17 51.244 57.030 6.280 1.00 0.00 ATOM 146 OD2 ASP 17 50.504 57.986 8.181 1.00 0.00 ATOM 147 O ASP 17 48.822 60.333 3.755 1.00 0.00 ATOM 148 C ASP 17 50.038 60.476 4.076 1.00 0.00 ATOM 149 N THR 18 50.707 61.599 3.872 1.00 0.00 ATOM 150 CA THR 18 50.141 62.834 3.326 1.00 0.00 ATOM 151 CB THR 18 50.643 64.081 4.084 1.00 0.00 ATOM 152 CG2 THR 18 50.244 64.004 5.506 1.00 0.00 ATOM 153 OG1 THR 18 52.051 64.261 3.826 1.00 0.00 ATOM 154 O THR 18 51.439 62.315 1.389 1.00 0.00 ATOM 155 C THR 18 50.526 62.988 1.879 1.00 0.00 ATOM 156 N ASP 19 49.757 63.786 1.134 1.00 0.00 ATOM 157 CA ASP 19 50.113 64.109 -0.232 1.00 0.00 ATOM 158 CB ASP 19 49.035 63.607 -1.231 1.00 0.00 ATOM 159 CG ASP 19 47.676 64.195 -0.960 1.00 0.00 ATOM 160 OD1 ASP 19 47.564 65.361 -0.528 1.00 0.00 ATOM 161 OD2 ASP 19 46.689 63.453 -1.182 1.00 0.00 ATOM 162 O ASP 19 50.366 66.333 0.609 1.00 0.00 ATOM 163 C ASP 19 50.372 65.606 -0.369 1.00 0.00 ATOM 164 N ALA 20 50.652 66.063 -1.592 1.00 0.00 ATOM 165 CA ALA 20 51.040 67.437 -1.811 1.00 0.00 ATOM 166 CB ALA 20 51.606 67.620 -3.217 1.00 0.00 ATOM 167 O ALA 20 50.128 69.540 -1.600 1.00 0.00 ATOM 168 C ALA 20 49.870 68.369 -1.600 1.00 0.00 ATOM 169 N ALA 21 48.645 67.878 -1.364 1.00 0.00 ATOM 170 CA ALA 21 47.512 68.750 -0.955 1.00 0.00 ATOM 171 CB ALA 21 46.151 68.097 -1.216 1.00 0.00 ATOM 172 O ALA 21 46.973 70.045 0.976 1.00 0.00 ATOM 173 C ALA 21 47.661 69.153 0.523 1.00 0.00 ATOM 174 N GLY 22 48.612 68.555 1.238 1.00 0.00 ATOM 175 CA GLY 22 48.932 68.902 2.631 1.00 0.00 ATOM 176 O GLY 22 48.029 68.576 4.814 1.00 0.00 ATOM 177 C GLY 22 48.096 68.153 3.655 1.00 0.00 ATOM 178 N VAL 23 47.460 67.038 3.264 1.00 0.00 ATOM 179 CA VAL 23 46.549 66.260 4.091 1.00 0.00 ATOM 180 CB VAL 23 45.083 66.649 3.871 1.00 0.00 ATOM 181 CG1 VAL 23 44.804 68.067 4.436 1.00 0.00 ATOM 182 CG2 VAL 23 44.732 66.522 2.433 1.00 0.00 ATOM 183 O VAL 23 47.339 64.415 2.767 1.00 0.00 ATOM 184 C VAL 23 46.694 64.763 3.754 1.00 0.00 ATOM 185 N MET 24 46.114 63.888 4.562 1.00 0.00 ATOM 186 CA MET 24 46.200 62.443 4.374 1.00 0.00 ATOM 187 CB MET 24 45.323 61.740 5.393 1.00 0.00 ATOM 188 CG MET 24 45.358 60.238 5.315 1.00 0.00 ATOM 189 SD MET 24 43.754 59.438 6.143 1.00 0.00 ATOM 190 CE MET 24 42.389 60.044 4.881 1.00 0.00 ATOM 191 O MET 24 44.712 62.579 2.520 1.00 0.00 ATOM 192 C MET 24 45.753 62.076 2.971 1.00 0.00 ATOM 193 N HIS 25 46.503 61.215 2.291 1.00 0.00 ATOM 194 CA HIS 25 46.051 60.693 1.038 1.00 0.00 ATOM 195 CB HIS 25 47.205 60.127 0.275 1.00 0.00 ATOM 196 CG HIS 25 46.871 59.840 -1.144 1.00 0.00 ATOM 197 CD2 HIS 25 46.775 58.665 -1.800 1.00 0.00 ATOM 198 ND1 HIS 25 46.500 60.806 -2.039 1.00 0.00 ATOM 199 CE1 HIS 25 46.209 60.225 -3.206 1.00 0.00 ATOM 200 NE2 HIS 25 46.354 58.935 -3.081 1.00 0.00 ATOM 201 O HIS 25 45.117 58.748 2.137 1.00 0.00 ATOM 202 C HIS 25 44.991 59.617 1.288 1.00 0.00 ATOM 203 N PHE 26 43.880 59.703 0.556 1.00 0.00 ATOM 204 CA PHE 26 42.639 59.036 0.953 1.00 0.00 ATOM 205 CB PHE 26 41.483 59.272 -0.091 1.00 0.00 ATOM 206 CG PHE 26 41.598 58.469 -1.345 1.00 0.00 ATOM 207 CD1 PHE 26 42.640 58.601 -2.252 1.00 0.00 ATOM 208 CD2 PHE 26 40.669 57.487 -1.583 1.00 0.00 ATOM 209 CE1 PHE 26 42.719 57.794 -3.359 1.00 0.00 ATOM 210 CE2 PHE 26 40.747 56.702 -2.699 1.00 0.00 ATOM 211 CZ PHE 26 41.762 56.837 -3.581 1.00 0.00 ATOM 212 O PHE 26 42.221 57.102 2.261 1.00 0.00 ATOM 213 C PHE 26 42.764 57.566 1.268 1.00 0.00 ATOM 214 N HIS 27 43.475 56.810 0.434 1.00 0.00 ATOM 215 CA HIS 27 43.455 55.363 0.607 1.00 0.00 ATOM 216 CB HIS 27 43.899 54.613 -0.670 1.00 0.00 ATOM 217 CG HIS 27 45.264 54.937 -1.152 1.00 0.00 ATOM 218 CD2 HIS 27 45.697 55.533 -2.285 1.00 0.00 ATOM 219 ND1 HIS 27 46.385 54.486 -0.495 1.00 0.00 ATOM 220 CE1 HIS 27 47.458 54.877 -1.161 1.00 0.00 ATOM 221 NE2 HIS 27 47.067 55.475 -2.266 1.00 0.00 ATOM 222 O HIS 27 44.036 53.745 2.242 1.00 0.00 ATOM 223 C HIS 27 44.224 54.886 1.826 1.00 0.00 ATOM 224 N GLN 28 45.051 55.728 2.411 1.00 0.00 ATOM 225 CA GLN 28 45.771 55.351 3.628 1.00 0.00 ATOM 226 CB GLN 28 46.648 56.510 4.127 1.00 0.00 ATOM 227 CG GLN 28 47.784 56.833 3.203 1.00 0.00 ATOM 228 CD GLN 28 48.917 55.867 3.332 1.00 0.00 ATOM 229 OE1 GLN 28 48.914 54.988 4.193 1.00 0.00 ATOM 230 NE2 GLN 28 49.916 56.040 2.511 1.00 0.00 ATOM 231 O GLN 28 45.124 54.193 5.634 1.00 0.00 ATOM 232 C GLN 28 44.828 54.978 4.743 1.00 0.00 ATOM 233 N LEU 29 43.640 55.600 4.705 1.00 0.00 ATOM 234 CA LEU 29 42.642 55.291 5.753 1.00 0.00 ATOM 235 CB LEU 29 41.316 56.020 5.527 1.00 0.00 ATOM 236 CG LEU 29 40.434 56.139 6.791 1.00 0.00 ATOM 237 CD1 LEU 29 40.887 57.247 7.692 1.00 0.00 ATOM 238 CD2 LEU 29 38.919 56.319 6.397 1.00 0.00 ATOM 239 O LEU 29 42.181 53.260 6.910 1.00 0.00 ATOM 240 C LEU 29 42.379 53.793 5.842 1.00 0.00 ATOM 241 N PHE 30 42.298 53.153 4.685 1.00 0.00 ATOM 242 CA PHE 30 41.997 51.710 4.671 1.00 0.00 ATOM 243 CB PHE 30 41.644 51.298 3.234 1.00 0.00 ATOM 244 CG PHE 30 40.347 51.855 2.730 1.00 0.00 ATOM 245 CD1 PHE 30 39.129 51.414 3.251 1.00 0.00 ATOM 246 CD2 PHE 30 40.356 52.813 1.756 1.00 0.00 ATOM 247 CE1 PHE 30 37.948 51.935 2.816 1.00 0.00 ATOM 248 CE2 PHE 30 39.165 53.354 1.317 1.00 0.00 ATOM 249 CZ PHE 30 37.959 52.874 1.836 1.00 0.00 ATOM 250 O PHE 30 42.847 49.849 5.880 1.00 0.00 ATOM 251 C PHE 30 43.085 50.866 5.227 1.00 0.00 ATOM 252 N ARG 31 44.330 51.255 4.935 1.00 0.00 ATOM 253 CA ARG 31 45.466 50.588 5.573 1.00 0.00 ATOM 254 CB ARG 31 46.830 51.152 5.092 1.00 0.00 ATOM 255 CG ARG 31 47.986 50.524 5.866 1.00 0.00 ATOM 256 CD ARG 31 49.289 50.968 5.210 1.00 0.00 ATOM 257 NE ARG 31 49.569 52.389 5.436 1.00 0.00 ATOM 258 CZ ARG 31 50.123 52.902 6.523 1.00 0.00 ATOM 259 NH1 ARG 31 50.462 52.191 7.583 1.00 0.00 ATOM 260 NH2 ARG 31 50.333 54.198 6.577 1.00 0.00 ATOM 261 O ARG 31 45.590 49.771 7.879 1.00 0.00 ATOM 262 C ARG 31 45.393 50.707 7.103 1.00 0.00 ATOM 263 N TRP 32 45.090 51.912 7.560 1.00 0.00 ATOM 264 CA TRP 32 44.956 52.123 9.006 1.00 0.00 ATOM 265 CB TRP 32 44.667 53.580 9.352 1.00 0.00 ATOM 266 CG TRP 32 45.755 54.558 8.915 1.00 0.00 ATOM 267 CD1 TRP 32 46.979 54.280 8.426 1.00 0.00 ATOM 268 CD2 TRP 32 45.611 55.959 8.847 1.00 0.00 ATOM 269 CE2 TRP 32 46.822 56.497 8.352 1.00 0.00 ATOM 270 CE3 TRP 32 44.568 56.830 9.182 1.00 0.00 ATOM 271 NE1 TRP 32 47.644 55.442 8.111 1.00 0.00 ATOM 272 CZ2 TRP 32 47.007 57.870 8.161 1.00 0.00 ATOM 273 CZ3 TRP 32 44.769 58.174 9.012 1.00 0.00 ATOM 274 CH2 TRP 32 45.979 58.684 8.508 1.00 0.00 ATOM 275 O TRP 32 43.959 50.739 10.742 1.00 0.00 ATOM 276 C TRP 32 43.855 51.251 9.614 1.00 0.00 ATOM 277 N CYS 33 42.745 51.124 8.889 1.00 0.00 ATOM 278 CA CYS 33 41.676 50.239 9.361 1.00 0.00 ATOM 279 CB CYS 33 40.507 50.296 8.405 1.00 0.00 ATOM 280 SG CYS 33 39.538 51.836 8.353 1.00 0.00 ATOM 281 O CYS 33 41.982 48.166 10.538 1.00 0.00 ATOM 282 C CYS 33 42.123 48.804 9.495 1.00 0.00 ATOM 283 N HIS 34 42.756 48.295 8.449 1.00 0.00 ATOM 284 CA HIS 34 43.188 46.917 8.464 1.00 0.00 ATOM 285 CB HIS 34 43.732 46.500 7.109 1.00 0.00 ATOM 286 CG HIS 34 43.909 45.016 6.903 1.00 0.00 ATOM 287 CD2 HIS 34 43.286 44.185 6.035 1.00 0.00 ATOM 288 ND1 HIS 34 44.843 44.248 7.579 1.00 0.00 ATOM 289 CE1 HIS 34 44.779 43.006 7.102 1.00 0.00 ATOM 290 NE2 HIS 34 43.818 42.937 6.207 1.00 0.00 ATOM 291 O HIS 34 44.126 45.705 10.350 1.00 0.00 ATOM 292 C HIS 34 44.193 46.682 9.580 1.00 0.00 ATOM 293 N GLU 35 45.152 47.607 9.693 1.00 0.00 ATOM 294 CA GLU 35 46.132 47.458 10.778 1.00 0.00 ATOM 295 CB GLU 35 47.203 48.542 10.693 1.00 0.00 ATOM 296 CG GLU 35 48.086 48.474 9.474 1.00 0.00 ATOM 297 CD GLU 35 49.254 49.454 9.422 1.00 0.00 ATOM 298 OE1 GLU 35 49.375 50.230 10.386 1.00 0.00 ATOM 299 OE2 GLU 35 50.026 49.388 8.443 1.00 0.00 ATOM 300 O GLU 35 45.898 46.829 13.069 1.00 0.00 ATOM 301 C GLU 35 45.491 47.538 12.156 1.00 0.00 ATOM 302 N SER 36 44.480 48.388 12.340 1.00 0.00 ATOM 303 CA SER 36 43.799 48.449 13.647 1.00 0.00 ATOM 304 CB SER 36 42.917 49.691 13.779 1.00 0.00 ATOM 305 OG SER 36 41.682 49.561 13.085 1.00 0.00 ATOM 306 O SER 36 42.843 46.825 15.114 1.00 0.00 ATOM 307 C SER 36 43.000 47.198 13.959 1.00 0.00 ATOM 308 N TRP 37 42.463 46.560 12.922 1.00 0.00 ATOM 309 CA TRP 37 41.774 45.286 13.076 1.00 0.00 ATOM 310 CB TRP 37 41.117 44.883 11.765 1.00 0.00 ATOM 311 CG TRP 37 40.602 43.460 11.752 1.00 0.00 ATOM 312 CD1 TRP 37 39.719 42.915 12.605 1.00 0.00 ATOM 313 CD2 TRP 37 40.940 42.451 10.803 1.00 0.00 ATOM 314 CE2 TRP 37 40.204 41.291 11.144 1.00 0.00 ATOM 315 CE3 TRP 37 41.781 42.411 9.687 1.00 0.00 ATOM 316 NE1 TRP 37 39.457 41.607 12.252 1.00 0.00 ATOM 317 CZ2 TRP 37 40.334 40.063 10.420 1.00 0.00 ATOM 318 CZ3 TRP 37 41.847 41.248 8.951 1.00 0.00 ATOM 319 CH2 TRP 37 41.147 40.086 9.330 1.00 0.00 ATOM 320 O TRP 37 42.543 43.485 14.524 1.00 0.00 ATOM 321 C TRP 37 42.784 44.213 13.563 1.00 0.00 ATOM 322 N GLU 38 43.953 44.160 12.911 1.00 0.00 ATOM 323 CA GLU 38 45.005 43.245 13.366 1.00 0.00 ATOM 324 CB GLU 38 46.235 43.369 12.454 1.00 0.00 ATOM 325 CG GLU 38 45.978 42.983 11.018 1.00 0.00 ATOM 326 CD GLU 38 47.159 43.301 10.110 1.00 0.00 ATOM 327 OE1 GLU 38 48.204 42.605 10.239 1.00 0.00 ATOM 328 OE2 GLU 38 47.002 44.245 9.301 1.00 0.00 ATOM 329 O GLU 38 45.570 42.650 15.628 1.00 0.00 ATOM 330 C GLU 38 45.386 43.552 14.814 1.00 0.00 ATOM 331 N GLU 39 45.584 44.836 15.136 1.00 0.00 ATOM 332 CA GLU 39 45.907 45.271 16.516 1.00 0.00 ATOM 333 CB GLU 39 46.112 46.789 16.605 1.00 0.00 ATOM 334 CG GLU 39 46.696 47.202 17.899 1.00 0.00 ATOM 335 CD GLU 39 46.920 48.705 18.002 1.00 0.00 ATOM 336 OE1 GLU 39 46.717 49.430 17.009 1.00 0.00 ATOM 337 OE2 GLU 39 47.267 49.171 19.122 1.00 0.00 ATOM 338 O GLU 39 45.160 44.429 18.648 1.00 0.00 ATOM 339 C GLU 39 44.848 44.857 17.517 1.00 0.00 ATOM 340 N SER 40 43.593 44.966 17.106 1.00 0.00 ATOM 341 CA SER 40 42.496 44.543 17.966 1.00 0.00 ATOM 342 CB SER 40 41.184 44.952 17.305 1.00 0.00 ATOM 343 OG SER 40 40.078 44.674 18.174 1.00 0.00 ATOM 344 O SER 40 42.332 42.652 19.423 1.00 0.00 ATOM 345 C SER 40 42.484 43.059 18.297 1.00 0.00 ATOM 346 N LEU 41 42.740 42.258 17.268 1.00 0.00 ATOM 347 CA LEU 41 42.788 40.834 17.460 1.00 0.00 ATOM 348 CB LEU 41 42.982 40.106 16.128 1.00 0.00 ATOM 349 CG LEU 41 41.863 40.274 15.068 1.00 0.00 ATOM 350 CD1 LEU 41 42.323 39.551 13.771 1.00 0.00 ATOM 351 CD2 LEU 41 40.531 39.770 15.592 1.00 0.00 ATOM 352 O LEU 41 43.749 39.664 19.319 1.00 0.00 ATOM 353 C LEU 41 43.937 40.480 18.409 1.00 0.00 ATOM 354 N GLU 42 45.094 41.115 18.198 1.00 0.00 ATOM 355 CA GLU 42 46.293 40.940 19.060 1.00 0.00 ATOM 356 CB GLU 42 47.378 41.832 18.471 1.00 0.00 ATOM 357 CG GLU 42 48.730 41.953 19.103 1.00 0.00 ATOM 358 CD GLU 42 49.560 42.890 18.197 1.00 0.00 ATOM 359 OE1 GLU 42 49.509 44.145 18.370 1.00 0.00 ATOM 360 OE2 GLU 42 50.124 42.327 17.226 1.00 0.00 ATOM 361 O GLU 42 46.316 40.574 21.467 1.00 0.00 ATOM 362 C GLU 42 46.000 41.309 20.535 1.00 0.00 ATOM 363 N SER 43 45.364 42.470 20.710 1.00 0.00 ATOM 364 CA SER 43 45.014 43.020 22.034 1.00 0.00 ATOM 365 CB SER 43 44.520 44.450 21.856 1.00 0.00 ATOM 366 OG SER 43 44.185 45.000 23.118 1.00 0.00 ATOM 367 O SER 43 43.930 42.222 24.017 1.00 0.00 ATOM 368 C SER 43 43.960 42.217 22.791 1.00 0.00 ATOM 369 N TYR 44 43.063 41.581 22.061 1.00 0.00 ATOM 370 CA TYR 44 42.107 40.637 22.630 1.00 0.00 ATOM 371 CB TYR 44 41.042 40.324 21.594 1.00 0.00 ATOM 372 CG TYR 44 40.076 39.288 22.037 1.00 0.00 ATOM 373 CD1 TYR 44 39.214 39.524 23.114 1.00 0.00 ATOM 374 CD2 TYR 44 40.034 38.067 21.427 1.00 0.00 ATOM 375 CE1 TYR 44 38.357 38.546 23.554 1.00 0.00 ATOM 376 CE2 TYR 44 39.159 37.094 21.848 1.00 0.00 ATOM 377 CZ TYR 44 38.332 37.343 22.911 1.00 0.00 ATOM 378 OH TYR 44 37.464 36.367 23.328 1.00 0.00 ATOM 379 O TYR 44 42.403 38.719 24.066 1.00 0.00 ATOM 380 C TYR 44 42.811 39.351 23.087 1.00 0.00 ATOM 381 N GLY 45 43.882 38.982 22.386 1.00 0.00 ATOM 382 CA GLY 45 44.734 37.874 22.762 1.00 0.00 ATOM 383 O GLY 45 45.461 35.730 22.083 1.00 0.00 ATOM 384 C GLY 45 44.905 36.793 21.720 1.00 0.00 ATOM 385 N LEU 46 44.484 37.008 20.465 1.00 0.00 ATOM 386 CA LEU 46 44.664 35.999 19.422 1.00 0.00 ATOM 387 CB LEU 46 43.654 36.183 18.280 1.00 0.00 ATOM 388 CG LEU 46 42.170 36.164 18.632 1.00 0.00 ATOM 389 CD1 LEU 46 41.342 36.314 17.365 1.00 0.00 ATOM 390 CD2 LEU 46 41.805 34.912 19.390 1.00 0.00 ATOM 391 O LEU 46 46.786 37.019 18.988 1.00 0.00 ATOM 392 C LEU 46 46.096 36.019 18.898 1.00 0.00 ATOM 393 N ASN 47 46.535 34.877 18.364 1.00 0.00 ATOM 394 CA ASN 47 47.907 34.700 17.882 1.00 0.00 ATOM 395 CB ASN 47 48.334 33.274 18.227 1.00 0.00 ATOM 396 CG ASN 47 49.772 32.947 17.849 1.00 0.00 ATOM 397 ND2 ASN 47 50.251 31.844 18.409 1.00 0.00 ATOM 398 OD1 ASN 47 50.441 33.630 17.076 1.00 0.00 ATOM 399 O ASN 47 47.155 34.188 15.729 1.00 0.00 ATOM 400 C ASN 47 47.905 34.892 16.382 1.00 0.00 ATOM 401 N PRO 48 48.749 35.799 15.812 1.00 0.00 ATOM 402 CA PRO 48 48.779 36.009 14.352 1.00 0.00 ATOM 403 CB PRO 48 50.046 36.896 14.121 1.00 0.00 ATOM 404 CG PRO 48 50.767 36.953 15.405 1.00 0.00 ATOM 405 CD PRO 48 49.706 36.710 16.482 1.00 0.00 ATOM 406 O PRO 48 48.397 34.601 12.470 1.00 0.00 ATOM 407 C PRO 48 48.961 34.723 13.560 1.00 0.00 ATOM 408 N ALA 49 49.783 33.838 14.102 1.00 0.00 ATOM 409 CA ALA 49 50.112 32.554 13.513 1.00 0.00 ATOM 410 CB ALA 49 51.153 31.803 14.387 1.00 0.00 ATOM 411 O ALA 49 48.967 30.799 12.331 1.00 0.00 ATOM 412 C ALA 49 48.892 31.670 13.220 1.00 0.00 ATOM 413 N ASP 50 47.805 31.867 13.973 1.00 0.00 ATOM 414 CA ASP 50 46.565 31.140 13.748 1.00 0.00 ATOM 415 CB ASP 50 45.801 31.055 15.072 1.00 0.00 ATOM 416 CG ASP 50 46.542 30.254 16.136 1.00 0.00 ATOM 417 OD1 ASP 50 47.322 29.307 15.790 1.00 0.00 ATOM 418 OD2 ASP 50 46.353 30.576 17.329 1.00 0.00 ATOM 419 O ASP 50 44.701 31.084 12.243 1.00 0.00 ATOM 420 C ASP 50 45.635 31.738 12.717 1.00 0.00 ATOM 421 N ILE 51 45.857 32.997 12.361 1.00 0.00 ATOM 422 CA ILE 51 44.914 33.711 11.476 1.00 0.00 ATOM 423 CB ILE 51 44.227 34.933 12.202 1.00 0.00 ATOM 424 CG1 ILE 51 43.593 34.473 13.530 1.00 0.00 ATOM 425 CG2 ILE 51 43.199 35.654 11.250 1.00 0.00 ATOM 426 CD1 ILE 51 43.095 35.584 14.439 1.00 0.00 ATOM 427 O ILE 51 44.865 34.033 9.108 1.00 0.00 ATOM 428 C ILE 51 45.514 34.158 10.150 1.00 0.00 ATOM 429 N PHE 52 46.737 34.682 10.178 1.00 0.00 ATOM 430 CA PHE 52 47.316 35.350 9.000 1.00 0.00 ATOM 431 CB PHE 52 47.892 36.749 9.364 1.00 0.00 ATOM 432 CG PHE 52 46.823 37.734 9.764 1.00 0.00 ATOM 433 CD1 PHE 52 46.056 38.404 8.816 1.00 0.00 ATOM 434 CD2 PHE 52 46.541 37.938 11.113 1.00 0.00 ATOM 435 CE1 PHE 52 45.037 39.293 9.213 1.00 0.00 ATOM 436 CE2 PHE 52 45.537 38.844 11.495 1.00 0.00 ATOM 437 CZ PHE 52 44.782 39.481 10.557 1.00 0.00 ATOM 438 O PHE 52 49.319 34.081 9.062 1.00 0.00 ATOM 439 C PHE 52 48.403 34.500 8.387 1.00 0.00 ATOM 440 N PRO 53 48.318 34.282 7.058 1.00 0.00 ATOM 441 CA PRO 53 49.458 33.650 6.418 1.00 0.00 ATOM 442 CB PRO 53 48.999 33.476 4.965 1.00 0.00 ATOM 443 CG PRO 53 47.728 34.059 4.825 1.00 0.00 ATOM 444 CD PRO 53 47.230 34.604 6.117 1.00 0.00 ATOM 445 O PRO 53 50.570 35.822 6.735 1.00 0.00 ATOM 446 C PRO 53 50.686 34.589 6.508 1.00 0.00 ATOM 447 N GLY 54 51.848 33.984 6.312 1.00 0.00 ATOM 448 CA GLY 54 53.115 34.715 6.344 1.00 0.00 ATOM 449 O GLY 54 54.724 35.575 7.903 1.00 0.00 ATOM 450 C GLY 54 53.717 34.868 7.737 1.00 0.00 ATOM 451 N SER 55 53.112 34.233 8.743 1.00 0.00 ATOM 452 CA SER 55 53.513 34.471 10.120 1.00 0.00 ATOM 453 CB SER 55 52.340 34.234 11.085 1.00 0.00 ATOM 454 OG SER 55 51.259 35.169 10.910 1.00 0.00 ATOM 455 O SER 55 54.818 32.491 9.849 1.00 0.00 ATOM 456 C SER 55 54.666 33.550 10.440 1.00 0.00 ATOM 457 N ARG 56 55.519 33.956 11.369 1.00 0.00 ATOM 458 CA ARG 56 56.739 33.219 11.631 1.00 0.00 ATOM 459 CB ARG 56 57.649 34.002 12.595 1.00 0.00 ATOM 460 CG ARG 56 58.923 33.289 12.997 1.00 0.00 ATOM 461 CD ARG 56 59.779 34.185 13.920 1.00 0.00 ATOM 462 NE ARG 56 60.141 35.471 13.284 1.00 0.00 ATOM 463 CZ ARG 56 61.084 35.614 12.353 1.00 0.00 ATOM 464 NH1 ARG 56 61.788 34.572 11.932 1.00 0.00 ATOM 465 NH2 ARG 56 61.343 36.813 11.836 1.00 0.00 ATOM 466 O ARG 56 57.085 30.889 11.904 1.00 0.00 ATOM 467 C ARG 56 56.443 31.844 12.256 1.00 0.00 ATOM 468 N LYS 57 55.457 31.766 13.159 1.00 0.00 ATOM 469 CA LYS 57 55.338 30.601 14.062 1.00 0.00 ATOM 470 CB LYS 57 55.233 31.089 15.522 1.00 0.00 ATOM 471 CG LYS 57 56.515 31.828 16.000 1.00 0.00 ATOM 472 CD LYS 57 56.378 32.297 17.421 1.00 0.00 ATOM 473 CE LYS 57 57.610 33.069 17.892 1.00 0.00 ATOM 474 NZ LYS 57 57.212 33.991 19.020 1.00 0.00 ATOM 475 O LYS 57 53.862 28.767 14.513 1.00 0.00 ATOM 476 C LYS 57 54.181 29.658 13.716 1.00 0.00 ATOM 477 N SER 58 53.603 29.808 12.528 1.00 0.00 ATOM 478 CA SER 58 52.526 28.916 12.078 1.00 0.00 ATOM 479 CB SER 58 51.913 29.381 10.769 1.00 0.00 ATOM 480 OG SER 58 51.303 30.672 10.883 1.00 0.00 ATOM 481 O SER 58 54.117 27.238 11.322 1.00 0.00 ATOM 482 C SER 58 53.056 27.498 11.918 1.00 0.00 ATOM 483 N GLU 59 52.333 26.547 12.501 1.00 0.00 ATOM 484 CA GLU 59 52.718 25.153 12.272 1.00 0.00 ATOM 485 CB GLU 59 52.080 24.264 13.322 1.00 0.00 ATOM 486 CG GLU 59 52.722 24.501 14.665 1.00 0.00 ATOM 487 CD GLU 59 52.079 23.766 15.821 1.00 0.00 ATOM 488 OE1 GLU 59 50.882 23.332 15.689 1.00 0.00 ATOM 489 OE2 GLU 59 52.771 23.663 16.866 1.00 0.00 ATOM 490 O GLU 59 52.897 23.906 10.263 1.00 0.00 ATOM 491 C GLU 59 52.251 24.735 10.891 1.00 0.00 ATOM 492 N VAL 60 51.080 25.232 10.477 1.00 0.00 ATOM 493 CA VAL 60 50.622 25.117 9.099 1.00 0.00 ATOM 494 CB VAL 60 49.574 24.005 8.875 1.00 0.00 ATOM 495 CG1 VAL 60 50.219 22.614 9.100 1.00 0.00 ATOM 496 CG2 VAL 60 48.341 24.237 9.777 1.00 0.00 ATOM 497 O VAL 60 49.657 27.250 9.561 1.00 0.00 ATOM 498 C VAL 60 50.017 26.441 8.716 1.00 0.00 ATOM 499 N THR 61 49.939 26.701 7.426 1.00 0.00 ATOM 500 CA THR 61 49.325 27.939 7.004 1.00 0.00 ATOM 501 CB THR 61 49.581 28.242 5.507 1.00 0.00 ATOM 502 CG2 THR 61 48.947 27.214 4.650 1.00 0.00 ATOM 503 OG1 THR 61 49.082 29.564 5.173 1.00 0.00 ATOM 504 O THR 61 47.185 26.851 7.341 1.00 0.00 ATOM 505 C THR 61 47.840 27.894 7.408 1.00 0.00 ATOM 506 N PRO 62 47.327 29.015 7.929 1.00 0.00 ATOM 507 CA PRO 62 45.949 29.010 8.354 1.00 0.00 ATOM 508 CB PRO 62 45.697 30.469 8.692 1.00 0.00 ATOM 509 CG PRO 62 47.050 30.986 9.093 1.00 0.00 ATOM 510 CD PRO 62 48.002 30.300 8.162 1.00 0.00 ATOM 511 O PRO 62 45.139 28.874 6.068 1.00 0.00 ATOM 512 C PRO 62 44.994 28.506 7.244 1.00 0.00 ATOM 513 N GLU 63 44.012 27.723 7.648 1.00 0.00 ATOM 514 CA GLU 63 43.166 27.026 6.709 1.00 0.00 ATOM 515 CB GLU 63 42.666 25.794 7.379 1.00 0.00 ATOM 516 CG GLU 63 43.926 24.860 7.561 1.00 0.00 ATOM 517 CD GLU 63 43.901 23.979 8.790 1.00 0.00 ATOM 518 OE1 GLU 63 43.940 24.520 9.915 1.00 0.00 ATOM 519 OE2 GLU 63 43.893 22.744 8.621 1.00 0.00 ATOM 520 O GLU 63 41.564 27.592 5.060 1.00 0.00 ATOM 521 C GLU 63 42.047 27.882 6.134 1.00 0.00 ATOM 522 N VAL 64 41.675 28.937 6.854 1.00 0.00 ATOM 523 CA VAL 64 40.530 29.818 6.485 1.00 0.00 ATOM 524 CB VAL 64 39.513 29.963 7.658 1.00 0.00 ATOM 525 CG1 VAL 64 38.412 30.942 7.303 1.00 0.00 ATOM 526 CG2 VAL 64 38.910 28.599 7.990 1.00 0.00 ATOM 527 O VAL 64 41.883 31.741 6.870 1.00 0.00 ATOM 528 C VAL 64 41.076 31.181 6.099 1.00 0.00 ATOM 529 N ALA 65 40.729 31.653 4.895 1.00 0.00 ATOM 530 CA ALA 65 41.063 32.986 4.414 1.00 0.00 ATOM 531 CB ALA 65 41.281 32.998 2.893 1.00 0.00 ATOM 532 O ALA 65 38.752 33.441 4.856 1.00 0.00 ATOM 533 C ALA 65 39.869 33.883 4.750 1.00 0.00 ATOM 534 N LEU 66 40.133 35.164 4.966 1.00 0.00 ATOM 535 CA LEU 66 39.103 36.170 5.335 1.00 0.00 ATOM 536 CB LEU 66 39.333 36.674 6.753 1.00 0.00 ATOM 537 CG LEU 66 39.325 35.673 7.890 1.00 0.00 ATOM 538 CD1 LEU 66 39.722 36.285 9.205 1.00 0.00 ATOM 539 CD2 LEU 66 37.938 35.050 8.056 1.00 0.00 ATOM 540 O LEU 66 39.360 38.521 4.696 1.00 0.00 ATOM 541 C LEU 66 39.135 37.327 4.316 1.00 0.00 ATOM 542 N PRO 67 38.941 37.028 3.046 1.00 0.00 ATOM 543 CA PRO 67 39.007 38.101 2.042 1.00 0.00 ATOM 544 CB PRO 67 38.682 37.411 0.731 1.00 0.00 ATOM 545 CG PRO 67 37.925 36.168 1.131 1.00 0.00 ATOM 546 CD PRO 67 38.616 35.741 2.401 1.00 0.00 ATOM 547 O PRO 67 36.831 38.970 2.686 1.00 0.00 ATOM 548 C PRO 67 37.967 39.203 2.285 1.00 0.00 ATOM 549 N ILE 68 38.407 40.407 2.012 1.00 0.00 ATOM 550 CA ILE 68 37.555 41.561 1.999 1.00 0.00 ATOM 551 CB ILE 68 38.380 42.874 2.180 1.00 0.00 ATOM 552 CG1 ILE 68 38.982 42.850 3.603 1.00 0.00 ATOM 553 CG2 ILE 68 37.561 44.118 1.942 1.00 0.00 ATOM 554 CD1 ILE 68 40.208 43.773 3.844 1.00 0.00 ATOM 555 O ILE 68 37.295 41.592 -0.393 1.00 0.00 ATOM 556 C ILE 68 36.741 41.555 0.712 1.00 0.00 ATOM 557 N ILE 69 35.407 41.572 0.848 1.00 0.00 ATOM 558 CA ILE 69 34.535 41.582 -0.298 1.00 0.00 ATOM 559 CB ILE 69 33.408 40.521 -0.178 1.00 0.00 ATOM 560 CG1 ILE 69 32.644 40.668 1.121 1.00 0.00 ATOM 561 CG2 ILE 69 34.048 39.141 -0.281 1.00 0.00 ATOM 562 CD1 ILE 69 31.251 39.965 1.150 1.00 0.00 ATOM 563 O ILE 69 33.433 43.190 -1.690 1.00 0.00 ATOM 564 C ILE 69 33.941 42.969 -0.591 1.00 0.00 ATOM 565 N HIS 70 33.965 43.855 0.392 1.00 0.00 ATOM 566 CA HIS 70 33.428 45.226 0.246 1.00 0.00 ATOM 567 CB HIS 70 31.908 45.263 0.447 1.00 0.00 ATOM 568 CG HIS 70 31.333 46.641 0.500 1.00 0.00 ATOM 569 CD2 HIS 70 30.936 47.416 1.542 1.00 0.00 ATOM 570 ND1 HIS 70 31.134 47.392 -0.640 1.00 0.00 ATOM 571 CE1 HIS 70 30.664 48.585 -0.299 1.00 0.00 ATOM 572 NE2 HIS 70 30.517 48.624 1.019 1.00 0.00 ATOM 573 O HIS 70 34.338 45.692 2.399 1.00 0.00 ATOM 574 C HIS 70 34.099 46.102 1.261 1.00 0.00 ATOM 575 N CYS 71 34.398 47.325 0.886 1.00 0.00 ATOM 576 CA CYS 71 34.764 48.333 1.854 1.00 0.00 ATOM 577 CB CYS 71 36.239 48.326 2.193 1.00 0.00 ATOM 578 SG CYS 71 37.359 48.670 0.765 1.00 0.00 ATOM 579 O CYS 71 34.138 49.906 0.152 1.00 0.00 ATOM 580 C CYS 71 34.403 49.706 1.359 1.00 0.00 ATOM 581 N GLN 72 34.254 50.636 2.288 1.00 0.00 ATOM 582 CA GLN 72 33.860 51.990 1.976 1.00 0.00 ATOM 583 CB GLN 72 32.350 52.104 1.794 1.00 0.00 ATOM 584 CG GLN 72 31.514 51.685 2.986 1.00 0.00 ATOM 585 CD GLN 72 30.065 51.903 2.708 1.00 0.00 ATOM 586 OE1 GLN 72 29.361 50.974 2.221 1.00 0.00 ATOM 587 NE2 GLN 72 29.586 53.114 2.943 1.00 0.00 ATOM 588 O GLN 72 34.600 52.528 4.200 1.00 0.00 ATOM 589 C GLN 72 34.318 52.926 3.084 1.00 0.00 ATOM 590 N ALA 73 34.363 54.195 2.736 1.00 0.00 ATOM 591 CA ALA 73 34.726 55.246 3.687 1.00 0.00 ATOM 592 CB ALA 73 36.205 55.445 3.787 1.00 0.00 ATOM 593 O ALA 73 33.877 56.847 2.140 1.00 0.00 ATOM 594 C ALA 73 34.089 56.544 3.345 1.00 0.00 ATOM 595 N ASP 74 33.794 57.342 4.377 1.00 0.00 ATOM 596 CA ASP 74 33.376 58.749 4.208 1.00 0.00 ATOM 597 CB ASP 74 32.059 59.030 4.914 1.00 0.00 ATOM 598 CG ASP 74 30.836 58.387 4.322 1.00 0.00 ATOM 599 OD1 ASP 74 30.849 57.592 3.400 1.00 0.00 ATOM 600 OD2 ASP 74 29.753 58.659 4.924 1.00 0.00 ATOM 601 O ASP 74 34.889 59.289 6.006 1.00 0.00 ATOM 602 C ASP 74 34.471 59.599 4.886 1.00 0.00 ATOM 603 N PHE 75 34.877 60.670 4.222 1.00 0.00 ATOM 604 CA PHE 75 35.910 61.570 4.707 1.00 0.00 ATOM 605 CB PHE 75 37.007 61.703 3.648 1.00 0.00 ATOM 606 CG PHE 75 37.620 60.420 3.228 1.00 0.00 ATOM 607 CD1 PHE 75 37.049 59.675 2.193 1.00 0.00 ATOM 608 CD2 PHE 75 38.770 59.907 3.815 1.00 0.00 ATOM 609 CE1 PHE 75 37.554 58.511 1.773 1.00 0.00 ATOM 610 CE2 PHE 75 39.311 58.717 3.344 1.00 0.00 ATOM 611 CZ PHE 75 38.678 58.000 2.373 1.00 0.00 ATOM 612 O PHE 75 34.702 63.529 4.119 1.00 0.00 ATOM 613 C PHE 75 35.219 62.884 5.014 1.00 0.00 ATOM 614 N ARG 76 35.241 63.287 6.278 1.00 0.00 ATOM 615 CA ARG 76 34.408 64.387 6.747 1.00 0.00 ATOM 616 CB ARG 76 33.624 63.979 8.011 1.00 0.00 ATOM 617 CG ARG 76 32.871 62.618 7.937 1.00 0.00 ATOM 618 CD ARG 76 31.779 62.525 6.852 1.00 0.00 ATOM 619 NE ARG 76 30.617 63.342 7.205 1.00 0.00 ATOM 620 CZ ARG 76 30.066 64.280 6.438 1.00 0.00 ATOM 621 NH1 ARG 76 30.536 64.542 5.216 1.00 0.00 ATOM 622 NH2 ARG 76 29.020 64.958 6.893 1.00 0.00 ATOM 623 O ARG 76 34.798 66.735 6.754 1.00 0.00 ATOM 624 C ARG 76 35.232 65.605 7.056 1.00 0.00 ATOM 625 N ARG 77 36.406 65.422 7.666 1.00 0.00 ATOM 626 CA ARG 77 37.314 66.555 7.998 1.00 0.00 ATOM 627 CB ARG 77 37.255 66.816 9.503 1.00 0.00 ATOM 628 CG ARG 77 35.890 67.260 9.974 1.00 0.00 ATOM 629 CD ARG 77 35.742 67.288 11.460 1.00 0.00 ATOM 630 NE ARG 77 35.011 68.483 11.845 1.00 0.00 ATOM 631 CZ ARG 77 35.579 69.618 12.250 1.00 0.00 ATOM 632 NH1 ARG 77 36.908 69.725 12.369 1.00 0.00 ATOM 633 NH2 ARG 77 34.806 70.656 12.562 1.00 0.00 ATOM 634 O ARG 77 39.117 65.075 7.692 1.00 0.00 ATOM 635 C ARG 77 38.724 66.220 7.610 1.00 0.00 ATOM 636 N PRO 78 39.502 67.224 7.193 1.00 0.00 ATOM 637 CA PRO 78 40.885 66.943 6.803 1.00 0.00 ATOM 638 CB PRO 78 41.430 68.299 6.358 1.00 0.00 ATOM 639 CG PRO 78 40.476 69.279 6.828 1.00 0.00 ATOM 640 CD PRO 78 39.153 68.638 7.047 1.00 0.00 ATOM 641 O PRO 78 41.568 66.774 9.127 1.00 0.00 ATOM 642 C PRO 78 41.728 66.387 7.955 1.00 0.00 ATOM 643 N ILE 79 42.650 65.494 7.590 1.00 0.00 ATOM 644 CA ILE 79 43.504 64.815 8.535 1.00 0.00 ATOM 645 CB ILE 79 43.283 63.270 8.455 1.00 0.00 ATOM 646 CG1 ILE 79 41.880 62.919 8.997 1.00 0.00 ATOM 647 CG2 ILE 79 44.403 62.443 9.225 1.00 0.00 ATOM 648 CD1 ILE 79 41.412 61.483 8.715 1.00 0.00 ATOM 649 O ILE 79 45.280 65.115 6.980 1.00 0.00 ATOM 650 C ILE 79 44.920 65.165 8.171 1.00 0.00 ATOM 651 N HIS 80 45.702 65.565 9.164 1.00 0.00 ATOM 652 CA HIS 80 47.034 66.162 8.970 1.00 0.00 ATOM 653 CB HIS 80 47.028 67.575 9.599 1.00 0.00 ATOM 654 CG HIS 80 46.237 68.553 8.816 1.00 0.00 ATOM 655 CD2 HIS 80 46.507 69.169 7.642 1.00 0.00 ATOM 656 ND1 HIS 80 44.990 68.996 9.211 1.00 0.00 ATOM 657 CE1 HIS 80 44.524 69.840 8.304 1.00 0.00 ATOM 658 NE2 HIS 80 45.408 69.938 7.328 1.00 0.00 ATOM 659 O HIS 80 47.995 64.702 10.569 1.00 0.00 ATOM 660 C HIS 80 48.180 65.407 9.599 1.00 0.00 ATOM 661 N THR 81 49.388 65.582 9.061 1.00 0.00 ATOM 662 CA THR 81 50.566 64.961 9.653 1.00 0.00 ATOM 663 CB THR 81 51.888 65.170 8.792 1.00 0.00 ATOM 664 CG2 THR 81 51.882 66.481 8.042 1.00 0.00 ATOM 665 OG1 THR 81 53.039 65.159 9.638 1.00 0.00 ATOM 666 O THR 81 50.613 66.547 11.512 1.00 0.00 ATOM 667 C THR 81 50.708 65.364 11.140 1.00 0.00 ATOM 668 N GLY 82 50.934 64.370 11.982 1.00 0.00 ATOM 669 CA GLY 82 51.090 64.569 13.391 1.00 0.00 ATOM 670 O GLY 82 49.853 64.573 15.376 1.00 0.00 ATOM 671 C GLY 82 49.782 64.541 14.155 1.00 0.00 ATOM 672 N ASP 83 48.616 64.491 13.491 1.00 0.00 ATOM 673 CA ASP 83 47.325 64.311 14.184 1.00 0.00 ATOM 674 CB ASP 83 46.140 64.302 13.244 1.00 0.00 ATOM 675 CG ASP 83 45.702 65.687 12.758 1.00 0.00 ATOM 676 OD1 ASP 83 46.127 66.735 13.299 1.00 0.00 ATOM 677 OD2 ASP 83 44.899 65.725 11.804 1.00 0.00 ATOM 678 O ASP 83 47.774 61.985 14.472 1.00 0.00 ATOM 679 C ASP 83 47.329 63.013 14.977 1.00 0.00 ATOM 680 N ALA 84 46.858 63.086 16.239 1.00 0.00 ATOM 681 CA ALA 84 46.618 61.936 17.062 1.00 0.00 ATOM 682 CB ALA 84 46.787 62.308 18.555 1.00 0.00 ATOM 683 O ALA 84 44.247 62.326 17.060 1.00 0.00 ATOM 684 C ALA 84 45.175 61.539 16.785 1.00 0.00 ATOM 685 N LEU 85 44.971 60.346 16.256 1.00 0.00 ATOM 686 CA LEU 85 43.637 59.879 15.956 1.00 0.00 ATOM 687 CB LEU 85 43.562 59.286 14.540 1.00 0.00 ATOM 688 CG LEU 85 43.979 60.207 13.404 1.00 0.00 ATOM 689 CD1 LEU 85 43.863 59.388 12.097 1.00 0.00 ATOM 690 CD2 LEU 85 43.177 61.486 13.345 1.00 0.00 ATOM 691 O LEU 85 43.929 57.817 17.199 1.00 0.00 ATOM 692 C LEU 85 43.193 58.801 16.941 1.00 0.00 ATOM 693 N ALA 86 41.989 58.964 17.465 1.00 0.00 ATOM 694 CA ALA 86 41.348 58.000 18.350 1.00 0.00 ATOM 695 CB ALA 86 40.527 58.760 19.381 1.00 0.00 ATOM 696 O ALA 86 39.690 57.681 16.667 1.00 0.00 ATOM 697 C ALA 86 40.496 57.131 17.430 1.00 0.00 ATOM 698 N MET 87 40.726 55.837 17.406 1.00 0.00 ATOM 699 CA MET 87 40.027 54.910 16.533 1.00 0.00 ATOM 700 CB MET 87 41.014 54.033 15.813 1.00 0.00 ATOM 701 CG MET 87 41.948 54.848 14.864 1.00 0.00 ATOM 702 SD MET 87 43.164 53.741 13.877 1.00 0.00 ATOM 703 CE MET 87 44.372 53.239 15.368 1.00 0.00 ATOM 704 O MET 87 39.511 53.447 18.324 1.00 0.00 ATOM 705 C MET 87 39.102 54.034 17.349 1.00 0.00 ATOM 706 N GLU 88 37.831 53.998 16.997 1.00 0.00 ATOM 707 CA GLU 88 36.903 53.119 17.670 1.00 0.00 ATOM 708 CB GLU 88 35.728 53.900 18.221 1.00 0.00 ATOM 709 CG GLU 88 34.698 52.962 18.847 1.00 0.00 ATOM 710 CD GLU 88 33.789 53.613 19.895 1.00 0.00 ATOM 711 OE1 GLU 88 33.850 54.870 20.073 1.00 0.00 ATOM 712 OE2 GLU 88 33.033 52.820 20.530 1.00 0.00 ATOM 713 O GLU 88 35.890 52.435 15.610 1.00 0.00 ATOM 714 C GLU 88 36.385 52.091 16.691 1.00 0.00 ATOM 715 N LEU 89 36.492 50.822 17.040 1.00 0.00 ATOM 716 CA LEU 89 36.092 49.725 16.181 1.00 0.00 ATOM 717 CB LEU 89 37.146 48.592 16.199 1.00 0.00 ATOM 718 CG LEU 89 38.351 48.728 15.289 1.00 0.00 ATOM 719 CD1 LEU 89 39.113 50.015 15.616 1.00 0.00 ATOM 720 CD2 LEU 89 39.210 47.508 15.399 1.00 0.00 ATOM 721 O LEU 89 34.596 48.936 17.936 1.00 0.00 ATOM 722 C LEU 89 34.778 49.142 16.713 1.00 0.00 ATOM 723 N ARG 90 33.881 48.852 15.782 1.00 0.00 ATOM 724 CA ARG 90 32.622 48.195 16.123 1.00 0.00 ATOM 725 CB ARG 90 31.451 49.183 16.070 1.00 0.00 ATOM 726 CG ARG 90 31.504 50.219 17.167 1.00 0.00 ATOM 727 CD ARG 90 30.400 51.254 17.016 1.00 0.00 ATOM 728 NE ARG 90 30.294 52.271 18.076 1.00 0.00 ATOM 729 CZ ARG 90 30.869 53.483 18.038 1.00 0.00 ATOM 730 NH1 ARG 90 31.703 53.877 17.033 1.00 0.00 ATOM 731 NH2 ARG 90 30.610 54.314 19.047 1.00 0.00 ATOM 732 O ARG 90 31.965 47.249 14.027 1.00 0.00 ATOM 733 C ARG 90 32.400 47.025 15.160 1.00 0.00 ATOM 734 N PRO 91 32.770 45.807 15.590 1.00 0.00 ATOM 735 CA PRO 91 32.559 44.621 14.770 1.00 0.00 ATOM 736 CB PRO 91 33.563 43.595 15.352 1.00 0.00 ATOM 737 CG PRO 91 34.291 44.268 16.491 1.00 0.00 ATOM 738 CD PRO 91 33.505 45.488 16.844 1.00 0.00 ATOM 739 O PRO 91 30.417 44.336 15.801 1.00 0.00 ATOM 740 C PRO 91 31.114 44.106 14.811 1.00 0.00 ATOM 741 N GLU 92 30.684 43.437 13.745 1.00 0.00 ATOM 742 CA GLU 92 29.346 42.854 13.672 1.00 0.00 ATOM 743 CB GLU 92 28.385 43.763 12.915 1.00 0.00 ATOM 744 CG GLU 92 26.956 43.263 12.851 1.00 0.00 ATOM 745 CD GLU 92 25.980 44.186 12.043 1.00 0.00 ATOM 746 OE1 GLU 92 26.310 45.360 11.772 1.00 0.00 ATOM 747 OE2 GLU 92 24.857 43.732 11.702 1.00 0.00 ATOM 748 O GLU 92 29.918 41.506 11.805 1.00 0.00 ATOM 749 C GLU 92 29.451 41.546 12.940 1.00 0.00 ATOM 750 N ARG 93 29.039 40.461 13.599 1.00 0.00 ATOM 751 CA ARG 93 28.838 39.195 12.908 1.00 0.00 ATOM 752 CB ARG 93 28.581 38.066 13.885 1.00 0.00 ATOM 753 CG ARG 93 28.554 36.689 13.280 1.00 0.00 ATOM 754 CD ARG 93 28.125 35.629 14.320 1.00 0.00 ATOM 755 NE ARG 93 29.203 35.238 15.245 1.00 0.00 ATOM 756 CZ ARG 93 29.310 35.613 16.526 1.00 0.00 ATOM 757 NH1 ARG 93 28.401 36.410 17.088 1.00 0.00 ATOM 758 NH2 ARG 93 30.340 35.173 17.267 1.00 0.00 ATOM 759 O ARG 93 26.628 39.972 12.434 1.00 0.00 ATOM 760 C ARG 93 27.647 39.414 12.005 1.00 0.00 ATOM 761 N LEU 94 27.772 39.009 10.756 1.00 0.00 ATOM 762 CA LEU 94 26.690 39.117 9.804 1.00 0.00 ATOM 763 CB LEU 94 27.184 39.594 8.442 1.00 0.00 ATOM 764 CG LEU 94 27.771 41.014 8.375 1.00 0.00 ATOM 765 CD1 LEU 94 28.375 41.291 7.018 1.00 0.00 ATOM 766 CD2 LEU 94 26.644 42.067 8.672 1.00 0.00 ATOM 767 O LEU 94 24.751 37.743 9.618 1.00 0.00 ATOM 768 C LEU 94 25.960 37.790 9.659 1.00 0.00 ATOM 769 N ASN 95 26.720 36.720 9.643 1.00 0.00 ATOM 770 CA ASN 95 26.183 35.368 9.588 1.00 0.00 ATOM 771 CB ASN 95 25.636 35.117 8.183 1.00 0.00 ATOM 772 CG ASN 95 26.683 35.209 7.088 1.00 0.00 ATOM 773 ND2 ASN 95 26.366 35.954 6.046 1.00 0.00 ATOM 774 OD1 ASN 95 27.743 34.593 7.156 1.00 0.00 ATOM 775 O ASN 95 28.400 34.882 10.407 1.00 0.00 ATOM 776 C ASN 95 27.321 34.418 10.011 1.00 0.00 ATOM 777 N PRO 96 27.091 33.090 10.002 1.00 0.00 ATOM 778 CA PRO 96 28.184 32.193 10.419 1.00 0.00 ATOM 779 CB PRO 96 27.512 30.796 10.337 1.00 0.00 ATOM 780 CG PRO 96 26.083 31.111 10.602 1.00 0.00 ATOM 781 CD PRO 96 25.844 32.322 9.779 1.00 0.00 ATOM 782 O PRO 96 30.499 31.698 10.021 1.00 0.00 ATOM 783 C PRO 96 29.461 32.240 9.584 1.00 0.00 ATOM 784 N ASN 97 29.372 32.846 8.409 1.00 0.00 ATOM 785 CA ASN 97 30.490 32.900 7.462 1.00 0.00 ATOM 786 CB ASN 97 30.025 32.375 6.109 1.00 0.00 ATOM 787 CG ASN 97 29.440 30.965 6.175 1.00 0.00 ATOM 788 ND2 ASN 97 28.673 30.625 5.152 1.00 0.00 ATOM 789 OD1 ASN 97 29.674 30.197 7.118 1.00 0.00 ATOM 790 O ASN 97 31.898 34.441 6.302 1.00 0.00 ATOM 791 C ASN 97 31.049 34.289 7.174 1.00 0.00 ATOM 792 N SER 98 30.592 35.322 7.873 1.00 0.00 ATOM 793 CA SER 98 30.947 36.678 7.473 1.00 0.00 ATOM 794 CB SER 98 30.022 37.094 6.335 1.00 0.00 ATOM 795 OG SER 98 30.196 38.418 5.880 1.00 0.00 ATOM 796 O SER 98 29.928 37.494 9.509 1.00 0.00 ATOM 797 C SER 98 30.801 37.645 8.633 1.00 0.00 ATOM 798 N PHE 99 31.588 38.712 8.574 1.00 0.00 ATOM 799 CA PHE 99 31.525 39.781 9.545 1.00 0.00 ATOM 800 CB PHE 99 32.366 39.478 10.798 1.00 0.00 ATOM 801 CG PHE 99 33.849 39.532 10.591 1.00 0.00 ATOM 802 CD1 PHE 99 34.531 38.446 10.071 1.00 0.00 ATOM 803 CD2 PHE 99 34.564 40.679 10.909 1.00 0.00 ATOM 804 CE1 PHE 99 35.887 38.483 9.846 1.00 0.00 ATOM 805 CE2 PHE 99 35.934 40.728 10.689 1.00 0.00 ATOM 806 CZ PHE 99 36.584 39.605 10.156 1.00 0.00 ATOM 807 O PHE 99 32.597 41.100 7.806 1.00 0.00 ATOM 808 C PHE 99 31.954 41.100 8.882 1.00 0.00 ATOM 809 N GLN 100 31.602 42.198 9.508 1.00 0.00 ATOM 810 CA GLN 100 32.154 43.504 9.104 1.00 0.00 ATOM 811 CB GLN 100 31.149 44.253 8.256 1.00 0.00 ATOM 812 CG GLN 100 29.897 44.581 8.897 1.00 0.00 ATOM 813 CD GLN 100 28.858 45.144 7.921 1.00 0.00 ATOM 814 OE1 GLN 100 28.903 44.946 6.670 1.00 0.00 ATOM 815 NE2 GLN 100 27.959 45.882 8.478 1.00 0.00 ATOM 816 O GLN 100 32.272 43.888 11.470 1.00 0.00 ATOM 817 C GLN 100 32.612 44.250 10.350 1.00 0.00 ATOM 818 N VAL 101 33.492 45.224 10.112 1.00 0.00 ATOM 819 CA VAL 101 34.016 46.106 11.123 1.00 0.00 ATOM 820 CB VAL 101 35.509 45.847 11.447 1.00 0.00 ATOM 821 CG1 VAL 101 35.913 46.672 12.621 1.00 0.00 ATOM 822 CG2 VAL 101 35.768 44.320 11.668 1.00 0.00 ATOM 823 O VAL 101 34.201 47.849 9.550 1.00 0.00 ATOM 824 C VAL 101 33.812 47.525 10.657 1.00 0.00 ATOM 825 N HIS 102 33.250 48.334 11.544 1.00 0.00 ATOM 826 CA HIS 102 33.105 49.763 11.355 1.00 0.00 ATOM 827 CB HIS 102 31.725 50.240 11.818 1.00 0.00 ATOM 828 CG HIS 102 31.463 51.686 11.597 1.00 0.00 ATOM 829 CD2 HIS 102 30.865 52.361 10.572 1.00 0.00 ATOM 830 ND1 HIS 102 31.755 52.613 12.568 1.00 0.00 ATOM 831 CE1 HIS 102 31.357 53.807 12.155 1.00 0.00 ATOM 832 NE2 HIS 102 30.817 53.678 10.942 1.00 0.00 ATOM 833 O HIS 102 34.521 50.069 13.299 1.00 0.00 ATOM 834 C HIS 102 34.226 50.451 12.141 1.00 0.00 ATOM 835 N PHE 103 34.843 51.477 11.548 1.00 0.00 ATOM 836 CA PHE 103 35.951 52.180 12.118 1.00 0.00 ATOM 837 CB PHE 103 37.176 52.017 11.217 1.00 0.00 ATOM 838 CG PHE 103 37.590 50.581 10.966 1.00 0.00 ATOM 839 CD1 PHE 103 37.021 49.814 9.974 1.00 0.00 ATOM 840 CD2 PHE 103 38.572 50.000 11.773 1.00 0.00 ATOM 841 CE1 PHE 103 37.410 48.507 9.749 1.00 0.00 ATOM 842 CE2 PHE 103 38.957 48.718 11.533 1.00 0.00 ATOM 843 CZ PHE 103 38.379 47.970 10.513 1.00 0.00 ATOM 844 O PHE 103 35.262 54.237 11.112 1.00 0.00 ATOM 845 C PHE 103 35.580 53.639 12.158 1.00 0.00 ATOM 846 N GLU 104 35.663 54.268 13.326 1.00 0.00 ATOM 847 CA GLU 104 35.421 55.710 13.441 1.00 0.00 ATOM 848 CB GLU 104 34.337 55.928 14.487 1.00 0.00 ATOM 849 CG GLU 104 34.000 57.297 14.751 1.00 0.00 ATOM 850 CD GLU 104 32.964 57.409 15.886 1.00 0.00 ATOM 851 OE1 GLU 104 31.920 56.756 15.799 1.00 0.00 ATOM 852 OE2 GLU 104 33.244 58.111 16.867 1.00 0.00 ATOM 853 O GLU 104 37.351 55.949 14.852 1.00 0.00 ATOM 854 C GLU 104 36.728 56.400 13.872 1.00 0.00 ATOM 855 N PHE 105 37.147 57.447 13.168 1.00 0.00 ATOM 856 CA PHE 105 38.399 58.154 13.449 1.00 0.00 ATOM 857 CB PHE 105 39.184 58.346 12.160 1.00 0.00 ATOM 858 CG PHE 105 39.704 57.074 11.572 1.00 0.00 ATOM 859 CD1 PHE 105 38.873 56.292 10.802 1.00 0.00 ATOM 860 CD2 PHE 105 41.038 56.665 11.759 1.00 0.00 ATOM 861 CE1 PHE 105 39.326 55.110 10.261 1.00 0.00 ATOM 862 CE2 PHE 105 41.515 55.486 11.190 1.00 0.00 ATOM 863 CZ PHE 105 40.649 54.693 10.450 1.00 0.00 ATOM 864 O PHE 105 37.360 60.281 13.294 1.00 0.00 ATOM 865 C PHE 105 38.073 59.509 13.983 1.00 0.00 ATOM 866 N ARG 106 38.526 59.815 15.206 1.00 0.00 ATOM 867 CA ARG 106 38.277 61.117 15.805 1.00 0.00 ATOM 868 CB ARG 106 37.603 60.994 17.182 1.00 0.00 ATOM 869 CG ARG 106 36.105 60.755 17.130 1.00 0.00 ATOM 870 CD ARG 106 35.435 60.694 18.514 1.00 0.00 ATOM 871 NE ARG 106 34.068 60.156 18.422 1.00 0.00 ATOM 872 CZ ARG 106 32.957 60.875 18.308 1.00 0.00 ATOM 873 NH1 ARG 106 32.987 62.205 18.338 1.00 0.00 ATOM 874 NH2 ARG 106 31.781 60.244 18.213 1.00 0.00 ATOM 875 O ARG 106 40.637 61.248 16.195 1.00 0.00 ATOM 876 C ARG 106 39.601 61.858 15.970 1.00 0.00 ATOM 877 N CYS 107 39.565 63.176 15.843 1.00 0.00 ATOM 878 CA CYS 107 40.701 64.010 16.144 1.00 0.00 ATOM 879 CB CYS 107 41.374 64.432 14.877 1.00 0.00 ATOM 880 SG CYS 107 42.881 65.387 15.156 1.00 0.00 ATOM 881 O CYS 107 39.172 65.813 16.347 1.00 0.00 ATOM 882 C CYS 107 40.123 65.212 16.847 1.00 0.00 ATOM 883 N GLU 108 40.690 65.511 18.014 1.00 0.00 ATOM 884 CA GLU 108 40.201 66.578 18.897 1.00 0.00 ATOM 885 CB GLU 108 40.586 67.932 18.301 1.00 0.00 ATOM 886 CG GLU 108 42.109 68.147 18.361 1.00 0.00 ATOM 887 CD GLU 108 42.615 69.360 17.575 1.00 0.00 ATOM 888 OE1 GLU 108 41.893 70.382 17.490 1.00 0.00 ATOM 889 OE2 GLU 108 43.748 69.285 17.042 1.00 0.00 ATOM 890 O GLU 108 37.907 67.312 18.930 1.00 0.00 ATOM 891 C GLU 108 38.701 66.393 19.103 1.00 0.00 ATOM 892 N GLU 109 38.331 65.147 19.409 1.00 0.00 ATOM 893 CA GLU 109 36.946 64.770 19.725 1.00 0.00 ATOM 894 CB GLU 109 36.398 65.656 20.873 1.00 0.00 ATOM 895 CG GLU 109 37.285 65.747 22.094 1.00 0.00 ATOM 896 CD GLU 109 37.491 64.406 22.748 1.00 0.00 ATOM 897 OE1 GLU 109 36.713 63.468 22.457 1.00 0.00 ATOM 898 OE2 GLU 109 38.432 64.291 23.563 1.00 0.00 ATOM 899 O GLU 109 34.776 64.505 18.828 1.00 0.00 ATOM 900 C GLU 109 35.924 64.815 18.589 1.00 0.00 ATOM 901 N GLN 110 36.319 65.193 17.377 1.00 0.00 ATOM 902 CA GLN 110 35.391 65.328 16.275 1.00 0.00 ATOM 903 CB GLN 110 35.625 66.643 15.601 1.00 0.00 ATOM 904 CG GLN 110 35.280 67.827 16.547 1.00 0.00 ATOM 905 CD GLN 110 35.027 69.112 15.795 1.00 0.00 ATOM 906 OE1 GLN 110 35.840 70.051 15.841 1.00 0.00 ATOM 907 NE2 GLN 110 33.886 69.170 15.091 1.00 0.00 ATOM 908 O GLN 110 36.754 63.803 15.093 1.00 0.00 ATOM 909 C GLN 110 35.634 64.191 15.277 1.00 0.00 ATOM 910 N ILE 111 34.590 63.680 14.665 1.00 0.00 ATOM 911 CA ILE 111 34.740 62.596 13.696 1.00 0.00 ATOM 912 CB ILE 111 33.427 61.900 13.364 1.00 0.00 ATOM 913 CG1 ILE 111 32.852 61.213 14.618 1.00 0.00 ATOM 914 CG2 ILE 111 33.631 60.792 12.293 1.00 0.00 ATOM 915 CD1 ILE 111 31.454 60.557 14.424 1.00 0.00 ATOM 916 O ILE 111 34.739 64.055 11.811 1.00 0.00 ATOM 917 C ILE 111 35.335 63.153 12.418 1.00 0.00 ATOM 918 N ALA 112 36.515 62.663 12.017 1.00 0.00 ATOM 919 CA ALA 112 37.146 63.117 10.791 1.00 0.00 ATOM 920 CB ALA 112 38.629 63.205 10.997 1.00 0.00 ATOM 921 O ALA 112 36.860 62.607 8.471 1.00 0.00 ATOM 922 C ALA 112 36.858 62.173 9.612 1.00 0.00 ATOM 923 N ALA 113 36.605 60.906 9.879 1.00 0.00 ATOM 924 CA ALA 113 36.367 59.903 8.850 1.00 0.00 ATOM 925 CB ALA 113 37.684 59.540 8.133 1.00 0.00 ATOM 926 O ALA 113 35.930 58.409 10.720 1.00 0.00 ATOM 927 C ALA 113 35.760 58.669 9.502 1.00 0.00 ATOM 928 N HIS 114 35.089 57.848 8.700 1.00 0.00 ATOM 929 CA HIS 114 34.688 56.553 9.161 1.00 0.00 ATOM 930 CB HIS 114 33.329 56.562 9.855 1.00 0.00 ATOM 931 CG HIS 114 32.220 57.118 9.035 1.00 0.00 ATOM 932 CD2 HIS 114 31.630 58.334 9.044 1.00 0.00 ATOM 933 ND1 HIS 114 31.548 56.370 8.094 1.00 0.00 ATOM 934 CE1 HIS 114 30.571 57.110 7.578 1.00 0.00 ATOM 935 NE2 HIS 114 30.618 58.306 8.125 1.00 0.00 ATOM 936 O HIS 114 34.656 56.032 6.831 1.00 0.00 ATOM 937 C HIS 114 34.700 55.589 7.982 1.00 0.00 ATOM 938 N ALA 115 34.809 54.297 8.259 1.00 0.00 ATOM 939 CA ALA 115 34.960 53.301 7.221 1.00 0.00 ATOM 940 CB ALA 115 36.420 53.028 6.939 1.00 0.00 ATOM 941 O ALA 115 34.044 51.777 8.831 1.00 0.00 ATOM 942 C ALA 115 34.301 52.021 7.653 1.00 0.00 ATOM 943 N LEU 116 34.061 51.140 6.693 1.00 0.00 ATOM 944 CA LEU 116 33.418 49.853 6.928 1.00 0.00 ATOM 945 CB LEU 116 31.933 49.936 6.549 1.00 0.00 ATOM 946 CG LEU 116 31.143 48.677 6.767 1.00 0.00 ATOM 947 CD1 LEU 116 30.793 48.507 8.269 1.00 0.00 ATOM 948 CD2 LEU 116 29.757 48.733 6.015 1.00 0.00 ATOM 949 O LEU 116 34.342 49.113 4.851 1.00 0.00 ATOM 950 C LEU 116 34.133 48.846 6.045 1.00 0.00 ATOM 951 N ILE 117 34.523 47.688 6.575 1.00 0.00 ATOM 952 CA ILE 117 35.197 46.622 5.858 1.00 0.00 ATOM 953 CB ILE 117 36.654 46.461 6.295 1.00 0.00 ATOM 954 CG1 ILE 117 37.462 47.715 5.994 1.00 0.00 ATOM 955 CG2 ILE 117 37.310 45.270 5.536 1.00 0.00 ATOM 956 CD1 ILE 117 38.969 47.619 6.339 1.00 0.00 ATOM 957 O ILE 117 34.201 45.004 7.280 1.00 0.00 ATOM 958 C ILE 117 34.430 45.348 6.121 1.00 0.00 ATOM 959 N ARG 118 34.007 44.647 5.066 1.00 0.00 ATOM 960 CA ARG 118 33.289 43.371 5.157 1.00 0.00 ATOM 961 CB ARG 118 31.976 43.491 4.371 1.00 0.00 ATOM 962 CG ARG 118 31.050 42.309 4.513 1.00 0.00 ATOM 963 CD ARG 118 29.737 42.494 3.688 1.00 0.00 ATOM 964 NE ARG 118 29.092 43.748 4.034 1.00 0.00 ATOM 965 CZ ARG 118 28.626 44.666 3.158 1.00 0.00 ATOM 966 NH1 ARG 118 28.585 44.460 1.830 1.00 0.00 ATOM 967 NH2 ARG 118 28.179 45.824 3.606 1.00 0.00 ATOM 968 O ARG 118 34.644 42.302 3.547 1.00 0.00 ATOM 969 C ARG 118 34.099 42.228 4.632 1.00 0.00 ATOM 970 N HIS 119 34.160 41.150 5.440 1.00 0.00 ATOM 971 CA HIS 119 34.921 39.958 5.151 1.00 0.00 ATOM 972 CB HIS 119 35.843 39.633 6.343 1.00 0.00 ATOM 973 CG HIS 119 36.865 40.684 6.688 1.00 0.00 ATOM 974 CD2 HIS 119 36.729 41.859 7.363 1.00 0.00 ATOM 975 ND1 HIS 119 38.214 40.546 6.395 1.00 0.00 ATOM 976 CE1 HIS 119 38.842 41.641 6.843 1.00 0.00 ATOM 977 NE2 HIS 119 37.977 42.419 7.467 1.00 0.00 ATOM 978 O HIS 119 33.022 38.627 5.665 1.00 0.00 ATOM 979 C HIS 119 34.048 38.744 4.976 1.00 0.00 ATOM 980 N LEU 120 34.491 37.817 4.140 1.00 0.00 ATOM 981 CA LEU 120 33.858 36.522 4.002 1.00 0.00 ATOM 982 CB LEU 120 33.473 36.324 2.528 1.00 0.00 ATOM 983 CG LEU 120 32.640 35.183 2.010 1.00 0.00 ATOM 984 CD1 LEU 120 31.353 35.018 2.822 1.00 0.00 ATOM 985 CD2 LEU 120 32.326 35.508 0.532 1.00 0.00 ATOM 986 O LEU 120 36.072 35.580 3.993 1.00 0.00 ATOM 987 C LEU 120 34.897 35.485 4.421 1.00 0.00 ATOM 988 N ALA 121 34.452 34.469 5.159 1.00 0.00 ATOM 989 CA ALA 121 35.329 33.330 5.457 1.00 0.00 ATOM 990 CB ALA 121 34.998 32.682 6.820 1.00 0.00 ATOM 991 O ALA 121 34.134 31.861 3.985 1.00 0.00 ATOM 992 C ALA 121 35.239 32.303 4.324 1.00 0.00 ATOM 993 N ILE 122 36.387 31.944 3.744 1.00 0.00 ATOM 994 CA ILE 122 36.472 30.881 2.750 1.00 0.00 ATOM 995 CB ILE 122 36.663 31.416 1.316 1.00 0.00 ATOM 996 CG1 ILE 122 38.015 32.117 1.164 1.00 0.00 ATOM 997 CG2 ILE 122 35.481 32.327 0.963 1.00 0.00 ATOM 998 CD1 ILE 122 38.277 32.695 -0.253 1.00 0.00 ATOM 999 O ILE 122 38.578 30.309 3.747 1.00 0.00 ATOM 1000 C ILE 122 37.594 29.943 3.101 1.00 0.00 ATOM 1001 N ASN 123 37.490 28.709 2.637 1.00 0.00 ATOM 1002 CA ASN 123 38.596 27.764 2.766 1.00 0.00 ATOM 1003 CB ASN 123 38.132 26.374 2.377 1.00 0.00 ATOM 1004 CG ASN 123 39.253 25.352 2.417 1.00 0.00 ATOM 1005 ND2 ASN 123 39.282 24.540 3.438 1.00 0.00 ATOM 1006 OD1 ASN 123 40.083 25.308 1.527 1.00 0.00 ATOM 1007 O ASN 123 39.457 28.569 0.678 1.00 0.00 ATOM 1008 C ASN 123 39.695 28.293 1.865 1.00 0.00 ATOM 1009 N ALA 124 40.908 28.412 2.397 1.00 0.00 ATOM 1010 CA ALA 124 41.967 29.029 1.623 1.00 0.00 ATOM 1011 CB ALA 124 43.237 29.272 2.521 1.00 0.00 ATOM 1012 O ALA 124 42.801 28.866 -0.604 1.00 0.00 ATOM 1013 C ALA 124 42.347 28.257 0.354 1.00 0.00 ATOM 1014 N GLN 125 42.130 26.934 0.319 1.00 0.00 ATOM 1015 CA GLN 125 42.505 26.157 -0.821 1.00 0.00 ATOM 1016 CB GLN 125 43.055 24.795 -0.363 1.00 0.00 ATOM 1017 CG GLN 125 44.353 24.917 0.418 1.00 0.00 ATOM 1018 CD GLN 125 44.970 23.573 0.811 1.00 0.00 ATOM 1019 OE1 GLN 125 44.529 22.501 0.423 1.00 0.00 ATOM 1020 NE2 GLN 125 46.009 23.642 1.595 1.00 0.00 ATOM 1021 O GLN 125 41.635 25.900 -2.981 1.00 0.00 ATOM 1022 C GLN 125 41.378 25.949 -1.795 1.00 0.00 ATOM 1023 N THR 126 40.150 25.802 -1.316 1.00 0.00 ATOM 1024 CA THR 126 39.014 25.530 -2.208 1.00 0.00 ATOM 1025 CB THR 126 37.949 24.600 -1.593 1.00 0.00 ATOM 1026 CG2 THR 126 38.535 23.294 -1.051 1.00 0.00 ATOM 1027 OG1 THR 126 37.295 25.283 -0.538 1.00 0.00 ATOM 1028 O THR 126 37.582 26.822 -3.649 1.00 0.00 ATOM 1029 C THR 126 38.284 26.797 -2.622 1.00 0.00 ATOM 1030 N ARG 127 38.460 27.829 -1.806 1.00 0.00 ATOM 1031 CA ARG 127 37.744 29.096 -1.904 1.00 0.00 ATOM 1032 CB ARG 127 38.119 29.849 -3.203 1.00 0.00 ATOM 1033 CG ARG 127 39.632 29.978 -3.407 1.00 0.00 ATOM 1034 CD ARG 127 40.162 31.375 -3.211 1.00 0.00 ATOM 1035 O ARG 127 35.510 29.911 -2.053 1.00 0.00 ATOM 1036 C ARG 127 36.241 28.972 -1.737 1.00 0.00 ATOM 1037 N HIS 128 35.760 27.867 -1.161 1.00 0.00 ATOM 1038 CA HIS 128 34.338 27.708 -0.796 1.00 0.00 ATOM 1039 CB HIS 128 33.939 26.235 -0.556 1.00 0.00 ATOM 1040 CG HIS 128 33.881 25.376 -1.784 1.00 0.00 ATOM 1041 CD2 HIS 128 34.666 25.308 -2.893 1.00 0.00 ATOM 1042 ND1 HIS 128 32.966 24.344 -1.902 1.00 0.00 ATOM 1043 CE1 HIS 128 33.161 23.710 -3.048 1.00 0.00 ATOM 1044 NE2 HIS 128 34.205 24.250 -3.656 1.00 0.00 ATOM 1045 O HIS 128 34.955 28.429 1.394 1.00 0.00 ATOM 1046 C HIS 128 34.109 28.442 0.507 1.00 0.00 ATOM 1047 N ARG 129 32.914 29.005 0.660 1.00 0.00 ATOM 1048 CA ARG 129 32.524 29.632 1.886 1.00 0.00 ATOM 1049 CB ARG 129 31.093 30.182 1.764 1.00 0.00 ATOM 1050 CG ARG 129 30.994 31.348 0.869 1.00 0.00 ATOM 1051 CD ARG 129 29.536 31.678 0.447 1.00 0.00 ATOM 1052 NE ARG 129 29.502 32.900 -0.373 1.00 0.00 ATOM 1053 CZ ARG 129 29.846 32.949 -1.663 1.00 0.00 ATOM 1054 NH1 ARG 129 30.288 31.860 -2.302 1.00 0.00 ATOM 1055 NH2 ARG 129 29.802 34.098 -2.325 1.00 0.00 ATOM 1056 O ARG 129 32.191 27.496 2.856 1.00 0.00 ATOM 1057 C ARG 129 32.587 28.647 3.019 1.00 0.00 ATOM 1058 N CYS 130 33.012 29.102 4.179 1.00 0.00 ATOM 1059 CA CYS 130 33.097 28.219 5.336 1.00 0.00 ATOM 1060 CB CYS 130 34.466 27.558 5.403 1.00 0.00 ATOM 1061 SG CYS 130 35.837 28.669 5.752 1.00 0.00 ATOM 1062 O CYS 130 32.637 30.196 6.593 1.00 0.00 ATOM 1063 C CYS 130 32.805 28.973 6.617 1.00 0.00 ATOM 1064 N ALA 131 32.785 28.274 7.741 1.00 0.00 ATOM 1065 CA ALA 131 32.553 28.969 9.009 1.00 0.00 ATOM 1066 CB ALA 131 32.264 27.963 10.102 1.00 0.00 ATOM 1067 O ALA 131 34.881 29.587 9.110 1.00 0.00 ATOM 1068 C ALA 131 33.716 29.855 9.422 1.00 0.00 ATOM 1069 N LEU 132 33.400 30.947 10.124 1.00 0.00 ATOM 1070 CA LEU 132 34.434 31.805 10.705 1.00 0.00 ATOM 1071 CB LEU 132 33.785 32.941 11.513 1.00 0.00 ATOM 1072 CG LEU 132 33.034 33.982 10.690 1.00 0.00 ATOM 1073 CD1 LEU 132 32.168 34.812 11.628 1.00 0.00 ATOM 1074 CD2 LEU 132 34.001 34.821 9.870 1.00 0.00 ATOM 1075 O LEU 132 34.932 30.071 12.315 1.00 0.00 ATOM 1076 C LEU 132 35.381 30.986 11.610 1.00 0.00 ATOM 1077 N PRO 133 36.688 31.306 11.599 1.00 0.00 ATOM 1078 CA PRO 133 37.594 30.648 12.540 1.00 0.00 ATOM 1079 CB PRO 133 38.934 31.338 12.301 1.00 0.00 ATOM 1080 CG PRO 133 38.857 31.930 10.992 1.00 0.00 ATOM 1081 CD PRO 133 37.414 32.304 10.804 1.00 0.00 ATOM 1082 O PRO 133 36.666 31.945 14.306 1.00 0.00 ATOM 1083 C PRO 133 37.168 30.896 13.972 1.00 0.00 ATOM 1084 N GLU 134 37.439 29.928 14.837 1.00 0.00 ATOM 1085 CA GLU 134 36.969 30.000 16.210 1.00 0.00 ATOM 1086 CB GLU 134 37.387 28.754 16.989 1.00 0.00 ATOM 1087 CG GLU 134 38.906 28.632 17.224 1.00 0.00 ATOM 1088 CD GLU 134 39.353 29.246 18.577 1.00 0.00 ATOM 1089 OE1 GLU 134 38.481 29.427 19.462 1.00 0.00 ATOM 1090 OE2 GLU 134 40.562 29.555 18.729 1.00 0.00 ATOM 1091 O GLU 134 36.733 31.805 17.696 1.00 0.00 ATOM 1092 C GLU 134 37.474 31.250 16.932 1.00 0.00 ATOM 1093 N GLY 135 38.715 31.664 16.711 1.00 0.00 ATOM 1094 CA GLY 135 39.256 32.838 17.392 1.00 0.00 ATOM 1095 O GLY 135 38.300 34.983 17.804 1.00 0.00 ATOM 1096 C GLY 135 38.547 34.101 16.982 1.00 0.00 ATOM 1097 N ILE 136 38.232 34.229 15.690 1.00 0.00 ATOM 1098 CA ILE 136 37.479 35.379 15.189 1.00 0.00 ATOM 1099 CB ILE 136 37.427 35.366 13.628 1.00 0.00 ATOM 1100 CG1 ILE 136 38.841 35.541 13.047 1.00 0.00 ATOM 1101 CG2 ILE 136 36.447 36.378 13.103 1.00 0.00 ATOM 1102 CD1 ILE 136 39.425 36.913 13.283 1.00 0.00 ATOM 1103 O ILE 136 35.559 36.407 16.241 1.00 0.00 ATOM 1104 C ILE 136 36.075 35.377 15.787 1.00 0.00 ATOM 1105 N ASP 137 35.456 34.186 15.926 1.00 0.00 ATOM 1106 CA ASP 137 34.167 34.095 16.568 1.00 0.00 ATOM 1107 CB ASP 137 33.622 32.689 16.450 1.00 0.00 ATOM 1108 CG ASP 137 32.484 32.576 15.446 1.00 0.00 ATOM 1109 OD1 ASP 137 31.921 33.612 15.017 1.00 0.00 ATOM 1110 OD2 ASP 137 32.143 31.416 15.099 1.00 0.00 ATOM 1111 O ASP 137 33.356 35.214 18.514 1.00 0.00 ATOM 1112 C ASP 137 34.224 34.509 18.041 1.00 0.00 ATOM 1113 N ARG 138 35.269 34.113 18.766 1.00 0.00 ATOM 1114 CA ARG 138 35.446 34.600 20.149 1.00 0.00 ATOM 1115 CB ARG 138 36.652 33.920 20.776 1.00 0.00 ATOM 1116 CG ARG 138 36.398 32.471 21.144 1.00 0.00 ATOM 1117 CD ARG 138 37.499 31.902 22.017 1.00 0.00 ATOM 1118 NE ARG 138 38.725 31.622 21.288 1.00 0.00 ATOM 1119 CZ ARG 138 39.904 32.198 21.506 1.00 0.00 ATOM 1120 NH1 ARG 138 40.051 33.153 22.427 1.00 0.00 ATOM 1121 NH2 ARG 138 40.946 31.811 20.765 1.00 0.00 ATOM 1122 O ARG 138 34.979 36.740 21.191 1.00 0.00 ATOM 1123 C ARG 138 35.587 36.119 20.288 1.00 0.00 ATOM 1124 N TRP 139 36.388 36.707 19.406 1.00 0.00 ATOM 1125 CA TRP 139 36.549 38.127 19.335 1.00 0.00 ATOM 1126 CB TRP 139 37.645 38.429 18.328 1.00 0.00 ATOM 1127 CG TRP 139 37.876 39.892 18.027 1.00 0.00 ATOM 1128 CD1 TRP 139 38.605 40.811 18.757 1.00 0.00 ATOM 1129 CD2 TRP 139 37.455 40.580 16.843 1.00 0.00 ATOM 1130 CE2 TRP 139 37.925 41.896 16.929 1.00 0.00 ATOM 1131 CE3 TRP 139 36.741 40.185 15.700 1.00 0.00 ATOM 1132 NE1 TRP 139 38.606 42.024 18.108 1.00 0.00 ATOM 1133 CZ2 TRP 139 37.673 42.842 15.925 1.00 0.00 ATOM 1134 CZ3 TRP 139 36.521 41.079 14.725 1.00 0.00 ATOM 1135 CH2 TRP 139 36.963 42.399 14.833 1.00 0.00 ATOM 1136 O TRP 139 34.943 39.842 19.658 1.00 0.00 ATOM 1137 C TRP 139 35.244 38.847 19.025 1.00 0.00 ATOM 1138 N LEU 140 34.495 38.386 18.030 1.00 0.00 ATOM 1139 CA LEU 140 33.185 38.959 17.703 1.00 0.00 ATOM 1140 CB LEU 140 32.570 38.246 16.500 1.00 0.00 ATOM 1141 CG LEU 140 33.247 38.512 15.179 1.00 0.00 ATOM 1142 CD1 LEU 140 32.749 37.569 14.089 1.00 0.00 ATOM 1143 CD2 LEU 140 33.034 39.961 14.738 1.00 0.00 ATOM 1144 O LEU 140 31.635 39.902 19.293 1.00 0.00 ATOM 1145 C LEU 140 32.260 38.895 18.912 1.00 0.00 ATOM 1146 N GLU 141 32.192 37.727 19.556 1.00 0.00 ATOM 1147 CA GLU 141 31.311 37.577 20.704 1.00 0.00 ATOM 1148 CB GLU 141 31.301 36.122 21.170 1.00 0.00 ATOM 1149 CG GLU 141 30.079 35.780 22.061 1.00 0.00 ATOM 1150 CD GLU 141 28.760 35.772 21.251 1.00 0.00 ATOM 1151 OE1 GLU 141 28.818 35.559 20.017 1.00 0.00 ATOM 1152 OE2 GLU 141 27.671 35.988 21.834 1.00 0.00 ATOM 1153 O GLU 141 30.848 39.179 22.458 1.00 0.00 ATOM 1154 C GLU 141 31.731 38.534 21.843 1.00 0.00 ATOM 1155 N ALA 142 33.033 38.617 22.132 1.00 0.00 ATOM 1156 CA ALA 142 33.551 39.423 23.243 1.00 0.00 ATOM 1157 CB ALA 142 35.042 39.126 23.515 1.00 0.00 ATOM 1158 O ALA 142 33.248 41.683 23.914 1.00 0.00 ATOM 1159 C ALA 142 33.325 40.894 22.989 1.00 0.00 ATOM 1160 N SER 143 33.245 41.268 21.712 1.00 0.00 ATOM 1161 CA SER 143 33.143 42.647 21.291 1.00 0.00 ATOM 1162 CB SER 143 33.836 42.836 19.943 1.00 0.00 ATOM 1163 OG SER 143 35.211 42.546 20.023 1.00 0.00 ATOM 1164 O SER 143 31.474 44.242 20.685 1.00 0.00 ATOM 1165 C SER 143 31.702 43.111 21.144 1.00 0.00 ATOM 1166 N GLY 144 30.746 42.231 21.463 1.00 0.00 ATOM 1167 CA GLY 144 29.308 42.560 21.381 1.00 0.00 ATOM 1168 O GLY 144 28.212 43.506 23.316 1.00 0.00 ATOM 1169 C GLY 144 28.895 43.713 22.289 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 T0362.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.882 # GDT_score = -71.007 # GDT_score(maxd=8.000,maxw=2.900)= -74.412 # GDT_score(maxd=8.000,maxw=3.200)= -71.260 # GDT_score(maxd=8.000,maxw=3.500)= -67.599 # GDT_score(maxd=10.000,maxw=3.800)= -69.592 # GDT_score(maxd=10.000,maxw=4.000)= -67.217 # GDT_score(maxd=10.000,maxw=4.200)= -64.883 # GDT_score(maxd=12.000,maxw=4.300)= -68.086 # GDT_score(maxd=12.000,maxw=4.500)= -65.856 # GDT_score(maxd=12.000,maxw=4.700)= -63.738 # GDT_score(maxd=14.000,maxw=5.200)= -62.105 # GDT_score(maxd=14.000,maxw=5.500)= -59.314 # command:# ReadConformPDB reading from PDB file T0362.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.868 # GDT_score = -64.410 # GDT_score(maxd=8.000,maxw=2.900)= -68.358 # GDT_score(maxd=8.000,maxw=3.200)= -64.654 # GDT_score(maxd=8.000,maxw=3.500)= -61.023 # GDT_score(maxd=10.000,maxw=3.800)= -63.378 # GDT_score(maxd=10.000,maxw=4.000)= -61.105 # GDT_score(maxd=10.000,maxw=4.200)= -58.900 # GDT_score(maxd=12.000,maxw=4.300)= -62.289 # GDT_score(maxd=12.000,maxw=4.500)= -60.161 # GDT_score(maxd=12.000,maxw=4.700)= -58.192 # GDT_score(maxd=14.000,maxw=5.200)= -57.018 # GDT_score(maxd=14.000,maxw=5.500)= -54.566 # command:# ReadConformPDB reading from PDB file T0362.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0362.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0362.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0362 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 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../refine.model1.ts-submitted looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model2.ts-submitted looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model3.ts-submitted looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model4.ts-submitted looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model5.ts-submitted looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try1-opt2.unpack.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0362.try1-opt2.unpack.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0362.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0362.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr362.gromacs0.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr362.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr362.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr362.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../4mer/decoys/4mer-from-try2-opt2-template-1s5uA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation 4mer//4mer-from-try2-opt2-template-1s5uA # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try13-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try13-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try13-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try13-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try13-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try13-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try13-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try14-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try14-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try14-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try14-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try14-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try14-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try15-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try15-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try15-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try15-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try15-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try15-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try15-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try16-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try16-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try16-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try16-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try16-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try16-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try16-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation dimer//try16-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try17-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try17-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try17-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try17-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try17-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try17-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try17-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try17-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try18-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try18-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try18-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try18-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try18-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try18-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try18-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation dimer//try18-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try19-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try19-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try19-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try19-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try19-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try19-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try19-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation dimer//try19-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try20-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try20-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try20-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try20-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try20-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try20-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try20-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation dimer//try20-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try21-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try21-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try21-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try21-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try21-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try21-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try21-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation dimer//try21-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try22-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try22-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try22-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try22-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try22-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try22-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try22-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try22-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try4-opt1.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try4-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try7-opt1.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0362.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try2-opt2-template-1s5uA-take2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try2-opt2-template-1s5uA-take2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try2-opt2-template-1s5uA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try2-opt2-template-1s5uA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-from-try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-from-try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-tr362-1s5uA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-tr362-1s5uA # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_177065069.pdb -s /var/tmp/to_scwrl_177065069.seq -o /var/tmp/from_scwrl_177065069.pdb > /var/tmp/scwrl_177065069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_177065069.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_979411316.pdb -s /var/tmp/to_scwrl_979411316.seq -o /var/tmp/from_scwrl_979411316.pdb > /var/tmp/scwrl_979411316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979411316.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1754187529.pdb -s /var/tmp/to_scwrl_1754187529.seq -o /var/tmp/from_scwrl_1754187529.pdb > /var/tmp/scwrl_1754187529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1754187529.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1010429027.pdb -s /var/tmp/to_scwrl_1010429027.seq -o /var/tmp/from_scwrl_1010429027.pdb > /var/tmp/scwrl_1010429027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010429027.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_812931406.pdb -s /var/tmp/to_scwrl_812931406.seq -o /var/tmp/from_scwrl_812931406.pdb > /var/tmp/scwrl_812931406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_812931406.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1692088644.pdb -s /var/tmp/to_scwrl_1692088644.seq -o /var/tmp/from_scwrl_1692088644.pdb > /var/tmp/scwrl_1692088644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692088644.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_903302698.pdb -s /var/tmp/to_scwrl_903302698.seq -o /var/tmp/from_scwrl_903302698.pdb > /var/tmp/scwrl_903302698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903302698.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1016639624.pdb -s /var/tmp/to_scwrl_1016639624.seq -o /var/tmp/from_scwrl_1016639624.pdb > /var/tmp/scwrl_1016639624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016639624.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1594449589.pdb -s /var/tmp/to_scwrl_1594449589.seq -o /var/tmp/from_scwrl_1594449589.pdb > /var/tmp/scwrl_1594449589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1594449589.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1029234047.pdb -s /var/tmp/to_scwrl_1029234047.seq -o /var/tmp/from_scwrl_1029234047.pdb > /var/tmp/scwrl_1029234047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029234047.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1105361998.pdb -s /var/tmp/to_scwrl_1105361998.seq -o /var/tmp/from_scwrl_1105361998.pdb > /var/tmp/scwrl_1105361998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1105361998.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1956114685.pdb -s /var/tmp/to_scwrl_1956114685.seq -o /var/tmp/from_scwrl_1956114685.pdb > /var/tmp/scwrl_1956114685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956114685.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_504174122.pdb -s /var/tmp/to_scwrl_504174122.seq -o /var/tmp/from_scwrl_504174122.pdb > /var/tmp/scwrl_504174122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504174122.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 T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1533147475.pdb -s /var/tmp/to_scwrl_1533147475.seq -o /var/tmp/from_scwrl_1533147475.pdb > /var/tmp/scwrl_1533147475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1533147475.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_146827558.pdb -s /var/tmp/to_scwrl_146827558.seq -o /var/tmp/from_scwrl_146827558.pdb > /var/tmp/scwrl_146827558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_146827558.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1213788506.pdb -s /var/tmp/to_scwrl_1213788506.seq -o /var/tmp/from_scwrl_1213788506.pdb > /var/tmp/scwrl_1213788506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1213788506.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 140 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_953040003.pdb -s /var/tmp/to_scwrl_953040003.seq -o /var/tmp/from_scwrl_953040003.pdb > /var/tmp/scwrl_953040003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_953040003.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 133 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1727049244.pdb -s /var/tmp/to_scwrl_1727049244.seq -o /var/tmp/from_scwrl_1727049244.pdb > /var/tmp/scwrl_1727049244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1727049244.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 138 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1294305009.pdb -s /var/tmp/to_scwrl_1294305009.seq -o /var/tmp/from_scwrl_1294305009.pdb > /var/tmp/scwrl_1294305009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1294305009.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_856112228.pdb -s /var/tmp/to_scwrl_856112228.seq -o /var/tmp/from_scwrl_856112228.pdb > /var/tmp/scwrl_856112228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_856112228.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 126 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_599716610.pdb -s /var/tmp/to_scwrl_599716610.seq -o /var/tmp/from_scwrl_599716610.pdb > /var/tmp/scwrl_599716610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_599716610.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 125 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_629601597.pdb -s /var/tmp/to_scwrl_629601597.seq -o /var/tmp/from_scwrl_629601597.pdb > /var/tmp/scwrl_629601597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629601597.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 95 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1795526778.pdb -s /var/tmp/to_scwrl_1795526778.seq -o /var/tmp/from_scwrl_1795526778.pdb > /var/tmp/scwrl_1795526778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1795526778.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 141 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_943982147.pdb -s /var/tmp/to_scwrl_943982147.seq -o /var/tmp/from_scwrl_943982147.pdb > /var/tmp/scwrl_943982147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_943982147.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 147 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_61086895.pdb -s /var/tmp/to_scwrl_61086895.seq -o /var/tmp/from_scwrl_61086895.pdb > /var/tmp/scwrl_61086895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_61086895.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 109 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1793210490.pdb -s /var/tmp/to_scwrl_1793210490.seq -o /var/tmp/from_scwrl_1793210490.pdb > /var/tmp/scwrl_1793210490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793210490.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 5 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1076679936.pdb -s /var/tmp/to_scwrl_1076679936.seq -o /var/tmp/from_scwrl_1076679936.pdb > /var/tmp/scwrl_1076679936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1076679936.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 108 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_661132886.pdb -s /var/tmp/to_scwrl_661132886.seq -o /var/tmp/from_scwrl_661132886.pdb > /var/tmp/scwrl_661132886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_661132886.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 133 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_245856702.pdb -s /var/tmp/to_scwrl_245856702.seq -o /var/tmp/from_scwrl_245856702.pdb > /var/tmp/scwrl_245856702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245856702.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 64 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_100985190.pdb -s /var/tmp/to_scwrl_100985190.seq -o /var/tmp/from_scwrl_100985190.pdb > /var/tmp/scwrl_100985190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100985190.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 122 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1873459599.pdb -s /var/tmp/to_scwrl_1873459599.seq -o /var/tmp/from_scwrl_1873459599.pdb > /var/tmp/scwrl_1873459599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873459599.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 144 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_422921771.pdb -s /var/tmp/to_scwrl_422921771.seq -o /var/tmp/from_scwrl_422921771.pdb > /var/tmp/scwrl_422921771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422921771.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 134 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1080396506.pdb -s /var/tmp/to_scwrl_1080396506.seq -o /var/tmp/from_scwrl_1080396506.pdb > /var/tmp/scwrl_1080396506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1080396506.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1480163481.pdb -s /var/tmp/to_scwrl_1480163481.seq -o /var/tmp/from_scwrl_1480163481.pdb > /var/tmp/scwrl_1480163481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480163481.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1433350797.pdb -s /var/tmp/to_scwrl_1433350797.seq -o /var/tmp/from_scwrl_1433350797.pdb > /var/tmp/scwrl_1433350797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1433350797.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1893327912.pdb -s /var/tmp/to_scwrl_1893327912.seq -o /var/tmp/from_scwrl_1893327912.pdb > /var/tmp/scwrl_1893327912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1893327912.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1024768479.pdb -s /var/tmp/to_scwrl_1024768479.seq -o /var/tmp/from_scwrl_1024768479.pdb > /var/tmp/scwrl_1024768479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1024768479.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_189169848.pdb -s /var/tmp/to_scwrl_189169848.seq -o /var/tmp/from_scwrl_189169848.pdb > /var/tmp/scwrl_189169848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_189169848.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 T0362 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_762483889.pdb -s /var/tmp/to_scwrl_762483889.seq -o /var/tmp/from_scwrl_762483889.pdb > /var/tmp/scwrl_762483889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_762483889.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 T0362 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_471734421.pdb -s /var/tmp/to_scwrl_471734421.seq -o /var/tmp/from_scwrl_471734421.pdb > /var/tmp/scwrl_471734421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_471734421.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 T0362 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1218403894.pdb -s /var/tmp/to_scwrl_1218403894.seq -o /var/tmp/from_scwrl_1218403894.pdb > /var/tmp/scwrl_1218403894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1218403894.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 T0362 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1867845888.pdb -s /var/tmp/to_scwrl_1867845888.seq -o /var/tmp/from_scwrl_1867845888.pdb > /var/tmp/scwrl_1867845888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867845888.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 T0362 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_280365460.pdb -s /var/tmp/to_scwrl_280365460.seq -o /var/tmp/from_scwrl_280365460.pdb > /var/tmp/scwrl_280365460.log Error: can't open any of /var/tmp/from_scwrl_280365460.pdb or /var/tmp/from_scwrl_280365460_b.pdb or /var/tmp/from_scwrl_280365460_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 T0362 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1722578016.pdb -s /var/tmp/to_scwrl_1722578016.seq -o /var/tmp/from_scwrl_1722578016.pdb > /var/tmp/scwrl_1722578016.log Error: can't open any of /var/tmp/from_scwrl_1722578016.pdb or /var/tmp/from_scwrl_1722578016_b.pdb or /var/tmp/from_scwrl_1722578016_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 T0362 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1253509716.pdb -s /var/tmp/to_scwrl_1253509716.seq -o /var/tmp/from_scwrl_1253509716.pdb > /var/tmp/scwrl_1253509716.log Error: can't open any of /var/tmp/from_scwrl_1253509716.pdb or /var/tmp/from_scwrl_1253509716_b.pdb or /var/tmp/from_scwrl_1253509716_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 T0362 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_427193018.pdb -s /var/tmp/to_scwrl_427193018.seq -o /var/tmp/from_scwrl_427193018.pdb > /var/tmp/scwrl_427193018.log Error: can't open any of /var/tmp/from_scwrl_427193018.pdb or /var/tmp/from_scwrl_427193018_b.pdb or /var/tmp/from_scwrl_427193018_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 T0362 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_788882877.pdb -s /var/tmp/to_scwrl_788882877.seq -o /var/tmp/from_scwrl_788882877.pdb > /var/tmp/scwrl_788882877.log Error: can't open any of /var/tmp/from_scwrl_788882877.pdb or /var/tmp/from_scwrl_788882877_b.pdb or /var/tmp/from_scwrl_788882877_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 149 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_59066072.pdb -s /var/tmp/to_scwrl_59066072.seq -o /var/tmp/from_scwrl_59066072.pdb > /var/tmp/scwrl_59066072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_59066072.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_6758615.pdb -s /var/tmp/to_scwrl_6758615.seq -o /var/tmp/from_scwrl_6758615.pdb > /var/tmp/scwrl_6758615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6758615.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2083187886.pdb -s /var/tmp/to_scwrl_2083187886.seq -o /var/tmp/from_scwrl_2083187886.pdb > /var/tmp/scwrl_2083187886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083187886.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 T0362 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_915178300.pdb -s /var/tmp/to_scwrl_915178300.seq -o /var/tmp/from_scwrl_915178300.pdb > /var/tmp/scwrl_915178300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915178300.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 T0362 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_606475225.pdb -s /var/tmp/to_scwrl_606475225.seq -o /var/tmp/from_scwrl_606475225.pdb > /var/tmp/scwrl_606475225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_606475225.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 149 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_565305836.pdb -s /var/tmp/to_scwrl_565305836.seq -o /var/tmp/from_scwrl_565305836.pdb > /var/tmp/scwrl_565305836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_565305836.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 144 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_563221431.pdb -s /var/tmp/to_scwrl_563221431.seq -o /var/tmp/from_scwrl_563221431.pdb > /var/tmp/scwrl_563221431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_563221431.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1550457372.pdb -s /var/tmp/to_scwrl_1550457372.seq -o /var/tmp/from_scwrl_1550457372.pdb > /var/tmp/scwrl_1550457372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550457372.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 134 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_626392731.pdb -s /var/tmp/to_scwrl_626392731.seq -o /var/tmp/from_scwrl_626392731.pdb > /var/tmp/scwrl_626392731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_626392731.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 149 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_208948275.pdb -s /var/tmp/to_scwrl_208948275.seq -o /var/tmp/from_scwrl_208948275.pdb > /var/tmp/scwrl_208948275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_208948275.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 136 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_479653662.pdb -s /var/tmp/to_scwrl_479653662.seq -o /var/tmp/from_scwrl_479653662.pdb > /var/tmp/scwrl_479653662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479653662.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 118 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1287525617.pdb -s /var/tmp/to_scwrl_1287525617.seq -o /var/tmp/from_scwrl_1287525617.pdb > /var/tmp/scwrl_1287525617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287525617.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 97 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_454804977.pdb -s /var/tmp/to_scwrl_454804977.seq -o /var/tmp/from_scwrl_454804977.pdb > /var/tmp/scwrl_454804977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_454804977.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 136 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_580638853.pdb -s /var/tmp/to_scwrl_580638853.seq -o /var/tmp/from_scwrl_580638853.pdb > /var/tmp/scwrl_580638853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_580638853.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 82 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1013501570.pdb -s /var/tmp/to_scwrl_1013501570.seq -o /var/tmp/from_scwrl_1013501570.pdb > /var/tmp/scwrl_1013501570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013501570.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 T0362 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_877726748.pdb -s /var/tmp/to_scwrl_877726748.seq -o /var/tmp/from_scwrl_877726748.pdb > /var/tmp/scwrl_877726748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_877726748.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 T0362 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1661035359.pdb -s /var/tmp/to_scwrl_1661035359.seq -o /var/tmp/from_scwrl_1661035359.pdb > /var/tmp/scwrl_1661035359.log Error: can't open any of /var/tmp/from_scwrl_1661035359.pdb or /var/tmp/from_scwrl_1661035359_b.pdb or /var/tmp/from_scwrl_1661035359_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_346181405.pdb -s /var/tmp/to_scwrl_346181405.seq -o /var/tmp/from_scwrl_346181405.pdb > /var/tmp/scwrl_346181405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346181405.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 T0362 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_163593898.pdb -s /var/tmp/to_scwrl_163593898.seq -o /var/tmp/from_scwrl_163593898.pdb > /var/tmp/scwrl_163593898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_163593898.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 T0362 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1406879624.pdb -s /var/tmp/to_scwrl_1406879624.seq -o /var/tmp/from_scwrl_1406879624.pdb > /var/tmp/scwrl_1406879624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406879624.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 T0362 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1370949883.pdb -s /var/tmp/to_scwrl_1370949883.seq -o /var/tmp/from_scwrl_1370949883.pdb > /var/tmp/scwrl_1370949883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1370949883.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 T0362 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_352763746.pdb -s /var/tmp/to_scwrl_352763746.seq -o /var/tmp/from_scwrl_352763746.pdb > /var/tmp/scwrl_352763746.log Error: can't open any of /var/tmp/from_scwrl_352763746.pdb or /var/tmp/from_scwrl_352763746_b.pdb or /var/tmp/from_scwrl_352763746_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_21879866.pdb -s /var/tmp/to_scwrl_21879866.seq -o /var/tmp/from_scwrl_21879866.pdb > /var/tmp/scwrl_21879866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_21879866.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 T0362 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1842684305.pdb -s /var/tmp/to_scwrl_1842684305.seq -o /var/tmp/from_scwrl_1842684305.pdb > /var/tmp/scwrl_1842684305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1842684305.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 T0362 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1571167640.pdb -s /var/tmp/to_scwrl_1571167640.seq -o /var/tmp/from_scwrl_1571167640.pdb > /var/tmp/scwrl_1571167640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1571167640.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 150 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1889725754.pdb -s /var/tmp/to_scwrl_1889725754.seq -o /var/tmp/from_scwrl_1889725754.pdb > /var/tmp/scwrl_1889725754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1889725754.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 132 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2123049765.pdb -s /var/tmp/to_scwrl_2123049765.seq -o /var/tmp/from_scwrl_2123049765.pdb > /var/tmp/scwrl_2123049765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2123049765.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 150 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1146262010.pdb -s /var/tmp/to_scwrl_1146262010.seq -o /var/tmp/from_scwrl_1146262010.pdb > /var/tmp/scwrl_1146262010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1146262010.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 84 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_995751824.pdb -s /var/tmp/to_scwrl_995751824.seq -o /var/tmp/from_scwrl_995751824.pdb > /var/tmp/scwrl_995751824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995751824.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 150 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_402759136.pdb -s /var/tmp/to_scwrl_402759136.seq -o /var/tmp/from_scwrl_402759136.pdb > /var/tmp/scwrl_402759136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_402759136.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 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1935144887.pdb -s /var/tmp/to_scwrl_1935144887.seq -o /var/tmp/from_scwrl_1935144887.pdb > /var/tmp/scwrl_1935144887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1935144887.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 T0362 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1054817897.pdb -s /var/tmp/to_scwrl_1054817897.seq -o /var/tmp/from_scwrl_1054817897.pdb > /var/tmp/scwrl_1054817897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1054817897.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_409517751.pdb -s /var/tmp/to_scwrl_409517751.seq -o /var/tmp/from_scwrl_409517751.pdb > /var/tmp/scwrl_409517751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409517751.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 T0362 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1870849126.pdb -s /var/tmp/to_scwrl_1870849126.seq -o /var/tmp/from_scwrl_1870849126.pdb > /var/tmp/scwrl_1870849126.log Error: can't open any of /var/tmp/from_scwrl_1870849126.pdb or /var/tmp/from_scwrl_1870849126_b.pdb or /var/tmp/from_scwrl_1870849126_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1969996196.pdb -s /var/tmp/to_scwrl_1969996196.seq -o /var/tmp/from_scwrl_1969996196.pdb > /var/tmp/scwrl_1969996196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1969996196.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 T0362 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1015992976.pdb -s /var/tmp/to_scwrl_1015992976.seq -o /var/tmp/from_scwrl_1015992976.pdb > /var/tmp/scwrl_1015992976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015992976.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 T0362 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_288671315.pdb -s /var/tmp/to_scwrl_288671315.seq -o /var/tmp/from_scwrl_288671315.pdb > /var/tmp/scwrl_288671315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_288671315.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 T0362 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_385733981.pdb -s /var/tmp/to_scwrl_385733981.seq -o /var/tmp/from_scwrl_385733981.pdb > /var/tmp/scwrl_385733981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385733981.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_418966701.pdb -s /var/tmp/to_scwrl_418966701.seq -o /var/tmp/from_scwrl_418966701.pdb > /var/tmp/scwrl_418966701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_418966701.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_915064046.pdb -s /var/tmp/to_scwrl_915064046.seq -o /var/tmp/from_scwrl_915064046.pdb > /var/tmp/scwrl_915064046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915064046.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 147 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_594682256.pdb -s /var/tmp/to_scwrl_594682256.seq -o /var/tmp/from_scwrl_594682256.pdb > /var/tmp/scwrl_594682256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594682256.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 149 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_898620364.pdb -s /var/tmp/to_scwrl_898620364.seq -o /var/tmp/from_scwrl_898620364.pdb > /var/tmp/scwrl_898620364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898620364.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_55106016.pdb -s /var/tmp/to_scwrl_55106016.seq -o /var/tmp/from_scwrl_55106016.pdb > /var/tmp/scwrl_55106016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_55106016.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 149 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1049487233.pdb -s /var/tmp/to_scwrl_1049487233.seq -o /var/tmp/from_scwrl_1049487233.pdb > /var/tmp/scwrl_1049487233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049487233.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1479259216.pdb -s /var/tmp/to_scwrl_1479259216.seq -o /var/tmp/from_scwrl_1479259216.pdb > /var/tmp/scwrl_1479259216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1479259216.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 T0362 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1068607587.pdb -s /var/tmp/to_scwrl_1068607587.seq -o /var/tmp/from_scwrl_1068607587.pdb > /var/tmp/scwrl_1068607587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1068607587.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 T0362 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1927213980.pdb -s /var/tmp/to_scwrl_1927213980.seq -o /var/tmp/from_scwrl_1927213980.pdb > /var/tmp/scwrl_1927213980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1927213980.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 T0362 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_992810929.pdb -s /var/tmp/to_scwrl_992810929.seq -o /var/tmp/from_scwrl_992810929.pdb > /var/tmp/scwrl_992810929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_992810929.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 T0362 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1414788991.pdb -s /var/tmp/to_scwrl_1414788991.seq -o /var/tmp/from_scwrl_1414788991.pdb > /var/tmp/scwrl_1414788991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414788991.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2090807878.pdb -s /var/tmp/to_scwrl_2090807878.seq -o /var/tmp/from_scwrl_2090807878.pdb > /var/tmp/scwrl_2090807878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2090807878.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 62 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_252206906.pdb -s /var/tmp/to_scwrl_252206906.seq -o /var/tmp/from_scwrl_252206906.pdb > /var/tmp/scwrl_252206906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252206906.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 62 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_638255228.pdb -s /var/tmp/to_scwrl_638255228.seq -o /var/tmp/from_scwrl_638255228.pdb > /var/tmp/scwrl_638255228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_638255228.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 T0362 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_296087977.pdb -s /var/tmp/to_scwrl_296087977.seq -o /var/tmp/from_scwrl_296087977.pdb > /var/tmp/scwrl_296087977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296087977.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 T0362 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_274086772.pdb -s /var/tmp/to_scwrl_274086772.seq -o /var/tmp/from_scwrl_274086772.pdb > /var/tmp/scwrl_274086772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_274086772.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 T0362 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_333455886.pdb -s /var/tmp/to_scwrl_333455886.seq -o /var/tmp/from_scwrl_333455886.pdb > /var/tmp/scwrl_333455886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_333455886.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 T0362 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1867255617.pdb -s /var/tmp/to_scwrl_1867255617.seq -o /var/tmp/from_scwrl_1867255617.pdb > /var/tmp/scwrl_1867255617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867255617.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 T0362 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_16328880.pdb -s /var/tmp/to_scwrl_16328880.seq -o /var/tmp/from_scwrl_16328880.pdb > /var/tmp/scwrl_16328880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16328880.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 T0362 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_309022004.pdb -s /var/tmp/to_scwrl_309022004.seq -o /var/tmp/from_scwrl_309022004.pdb > /var/tmp/scwrl_309022004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_309022004.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 T0362 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_866033981.pdb -s /var/tmp/to_scwrl_866033981.seq -o /var/tmp/from_scwrl_866033981.pdb > /var/tmp/scwrl_866033981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866033981.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 T0362 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1012080704.pdb -s /var/tmp/to_scwrl_1012080704.seq -o /var/tmp/from_scwrl_1012080704.pdb > /var/tmp/scwrl_1012080704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012080704.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 T0362 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_711781140.pdb -s /var/tmp/to_scwrl_711781140.seq -o /var/tmp/from_scwrl_711781140.pdb > /var/tmp/scwrl_711781140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711781140.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 T0362 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_653695221.pdb -s /var/tmp/to_scwrl_653695221.seq -o /var/tmp/from_scwrl_653695221.pdb > /var/tmp/scwrl_653695221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653695221.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2066898600.pdb -s /var/tmp/to_scwrl_2066898600.seq -o /var/tmp/from_scwrl_2066898600.pdb > /var/tmp/scwrl_2066898600.log Error: can't open any of /var/tmp/from_scwrl_2066898600.pdb or /var/tmp/from_scwrl_2066898600_b.pdb or /var/tmp/from_scwrl_2066898600_a.pdb Error: no new SCWRL conformation added # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1121298890.pdb -s /var/tmp/to_scwrl_1121298890.seq -o /var/tmp/from_scwrl_1121298890.pdb > /var/tmp/scwrl_1121298890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1121298890.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_377060700.pdb -s /var/tmp/to_scwrl_377060700.seq -o /var/tmp/from_scwrl_377060700.pdb > /var/tmp/scwrl_377060700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377060700.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1889411150.pdb -s /var/tmp/to_scwrl_1889411150.seq -o /var/tmp/from_scwrl_1889411150.pdb > /var/tmp/scwrl_1889411150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1889411150.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2137291867.pdb -s /var/tmp/to_scwrl_2137291867.seq -o /var/tmp/from_scwrl_2137291867.pdb > /var/tmp/scwrl_2137291867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2137291867.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 141 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_665732015.pdb -s /var/tmp/to_scwrl_665732015.seq -o /var/tmp/from_scwrl_665732015.pdb > /var/tmp/scwrl_665732015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665732015.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_127661484.pdb -s /var/tmp/to_scwrl_127661484.seq -o /var/tmp/from_scwrl_127661484.pdb > /var/tmp/scwrl_127661484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127661484.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_408774921.pdb -s /var/tmp/to_scwrl_408774921.seq -o /var/tmp/from_scwrl_408774921.pdb > /var/tmp/scwrl_408774921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_408774921.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1580796061.pdb -s /var/tmp/to_scwrl_1580796061.seq -o /var/tmp/from_scwrl_1580796061.pdb > /var/tmp/scwrl_1580796061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580796061.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 23 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_722343740.pdb -s /var/tmp/to_scwrl_722343740.seq -o /var/tmp/from_scwrl_722343740.pdb > /var/tmp/scwrl_722343740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_722343740.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 141 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1307395284.pdb -s /var/tmp/to_scwrl_1307395284.seq -o /var/tmp/from_scwrl_1307395284.pdb > /var/tmp/scwrl_1307395284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1307395284.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 148 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1635902077.pdb -s /var/tmp/to_scwrl_1635902077.seq -o /var/tmp/from_scwrl_1635902077.pdb > /var/tmp/scwrl_1635902077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1635902077.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 150 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1771830972.pdb -s /var/tmp/to_scwrl_1771830972.seq -o /var/tmp/from_scwrl_1771830972.pdb > /var/tmp/scwrl_1771830972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771830972.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 150 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_639170854.pdb -s /var/tmp/to_scwrl_639170854.seq -o /var/tmp/from_scwrl_639170854.pdb > /var/tmp/scwrl_639170854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639170854.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 150 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_557026017.pdb -s /var/tmp/to_scwrl_557026017.seq -o /var/tmp/from_scwrl_557026017.pdb > /var/tmp/scwrl_557026017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_557026017.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 150 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1551561305.pdb -s /var/tmp/to_scwrl_1551561305.seq -o /var/tmp/from_scwrl_1551561305.pdb > /var/tmp/scwrl_1551561305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1551561305.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 T0362 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1631981782.pdb -s /var/tmp/to_scwrl_1631981782.seq -o /var/tmp/from_scwrl_1631981782.pdb > /var/tmp/scwrl_1631981782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631981782.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1971815008.pdb -s /var/tmp/to_scwrl_1971815008.seq -o /var/tmp/from_scwrl_1971815008.pdb > /var/tmp/scwrl_1971815008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1971815008.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1494885536.pdb -s /var/tmp/to_scwrl_1494885536.seq -o /var/tmp/from_scwrl_1494885536.pdb > /var/tmp/scwrl_1494885536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1494885536.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1884188688.pdb -s /var/tmp/to_scwrl_1884188688.seq -o /var/tmp/from_scwrl_1884188688.pdb > /var/tmp/scwrl_1884188688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1884188688.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_462586590.pdb -s /var/tmp/to_scwrl_462586590.seq -o /var/tmp/from_scwrl_462586590.pdb > /var/tmp/scwrl_462586590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_462586590.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1790973513.pdb -s /var/tmp/to_scwrl_1790973513.seq -o /var/tmp/from_scwrl_1790973513.pdb > /var/tmp/scwrl_1790973513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1790973513.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_10791814.pdb -s /var/tmp/to_scwrl_10791814.seq -o /var/tmp/from_scwrl_10791814.pdb > /var/tmp/scwrl_10791814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10791814.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 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_796042476.pdb -s /var/tmp/to_scwrl_796042476.seq -o /var/tmp/from_scwrl_796042476.pdb > /var/tmp/scwrl_796042476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_796042476.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 T0362 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1510745483.pdb -s /var/tmp/to_scwrl_1510745483.seq -o /var/tmp/from_scwrl_1510745483.pdb > /var/tmp/scwrl_1510745483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510745483.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_27120694.pdb -s /var/tmp/to_scwrl_27120694.seq -o /var/tmp/from_scwrl_27120694.pdb > /var/tmp/scwrl_27120694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_27120694.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1105064480.pdb -s /var/tmp/to_scwrl_1105064480.seq -o /var/tmp/from_scwrl_1105064480.pdb > /var/tmp/scwrl_1105064480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1105064480.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_229295818.pdb -s /var/tmp/to_scwrl_229295818.seq -o /var/tmp/from_scwrl_229295818.pdb > /var/tmp/scwrl_229295818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_229295818.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 T0362 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1039201398.pdb -s /var/tmp/to_scwrl_1039201398.seq -o /var/tmp/from_scwrl_1039201398.pdb > /var/tmp/scwrl_1039201398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1039201398.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1816845620.pdb -s /var/tmp/to_scwrl_1816845620.seq -o /var/tmp/from_scwrl_1816845620.pdb > /var/tmp/scwrl_1816845620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1816845620.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 T0362 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_882991039.pdb -s /var/tmp/to_scwrl_882991039.seq -o /var/tmp/from_scwrl_882991039.pdb > /var/tmp/scwrl_882991039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_882991039.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 T0362 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_958616352.pdb -s /var/tmp/to_scwrl_958616352.seq -o /var/tmp/from_scwrl_958616352.pdb > /var/tmp/scwrl_958616352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_958616352.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 T0362 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_790660865.pdb -s /var/tmp/to_scwrl_790660865.seq -o /var/tmp/from_scwrl_790660865.pdb > /var/tmp/scwrl_790660865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790660865.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 T0362 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1260051739.pdb -s /var/tmp/to_scwrl_1260051739.seq -o /var/tmp/from_scwrl_1260051739.pdb > /var/tmp/scwrl_1260051739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260051739.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 T0362 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_700543855.pdb -s /var/tmp/to_scwrl_700543855.seq -o /var/tmp/from_scwrl_700543855.pdb > /var/tmp/scwrl_700543855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_700543855.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 T0362 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_780469085.pdb -s /var/tmp/to_scwrl_780469085.seq -o /var/tmp/from_scwrl_780469085.pdb > /var/tmp/scwrl_780469085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_780469085.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 T0362 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1925783754.pdb -s /var/tmp/to_scwrl_1925783754.seq -o /var/tmp/from_scwrl_1925783754.pdb > /var/tmp/scwrl_1925783754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925783754.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 T0362 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_828205339.pdb -s /var/tmp/to_scwrl_828205339.seq -o /var/tmp/from_scwrl_828205339.pdb > /var/tmp/scwrl_828205339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_828205339.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 146 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1189244005.pdb -s /var/tmp/to_scwrl_1189244005.seq -o /var/tmp/from_scwrl_1189244005.pdb > /var/tmp/scwrl_1189244005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1189244005.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 122 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1359096168.pdb -s /var/tmp/to_scwrl_1359096168.seq -o /var/tmp/from_scwrl_1359096168.pdb > /var/tmp/scwrl_1359096168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1359096168.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1550549078.pdb -s /var/tmp/to_scwrl_1550549078.seq -o /var/tmp/from_scwrl_1550549078.pdb > /var/tmp/scwrl_1550549078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550549078.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 T0362 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_349155644.pdb -s /var/tmp/to_scwrl_349155644.seq -o /var/tmp/from_scwrl_349155644.pdb > /var/tmp/scwrl_349155644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_349155644.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 122 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_847514600.pdb -s /var/tmp/to_scwrl_847514600.seq -o /var/tmp/from_scwrl_847514600.pdb > /var/tmp/scwrl_847514600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847514600.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 139 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1174896403.pdb -s /var/tmp/to_scwrl_1174896403.seq -o /var/tmp/from_scwrl_1174896403.pdb > /var/tmp/scwrl_1174896403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174896403.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 62 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_988326498.pdb -s /var/tmp/to_scwrl_988326498.seq -o /var/tmp/from_scwrl_988326498.pdb > /var/tmp/scwrl_988326498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_988326498.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 135 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1404540616.pdb -s /var/tmp/to_scwrl_1404540616.seq -o /var/tmp/from_scwrl_1404540616.pdb > /var/tmp/scwrl_1404540616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1404540616.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 115 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_578974062.pdb -s /var/tmp/to_scwrl_578974062.seq -o /var/tmp/from_scwrl_578974062.pdb > /var/tmp/scwrl_578974062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_578974062.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 125 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_472824634.pdb -s /var/tmp/to_scwrl_472824634.seq -o /var/tmp/from_scwrl_472824634.pdb > /var/tmp/scwrl_472824634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_472824634.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 150 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1228871978.pdb -s /var/tmp/to_scwrl_1228871978.seq -o /var/tmp/from_scwrl_1228871978.pdb > /var/tmp/scwrl_1228871978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228871978.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 148 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2073859598.pdb -s /var/tmp/to_scwrl_2073859598.seq -o /var/tmp/from_scwrl_2073859598.pdb > /var/tmp/scwrl_2073859598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073859598.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 146 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_209529675.pdb -s /var/tmp/to_scwrl_209529675.seq -o /var/tmp/from_scwrl_209529675.pdb > /var/tmp/scwrl_209529675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209529675.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 150 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1691458568.pdb -s /var/tmp/to_scwrl_1691458568.seq -o /var/tmp/from_scwrl_1691458568.pdb > /var/tmp/scwrl_1691458568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1691458568.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 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1717349464.pdb -s /var/tmp/to_scwrl_1717349464.seq -o /var/tmp/from_scwrl_1717349464.pdb > /var/tmp/scwrl_1717349464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1717349464.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 124 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_220321489.pdb -s /var/tmp/to_scwrl_220321489.seq -o /var/tmp/from_scwrl_220321489.pdb > /var/tmp/scwrl_220321489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_220321489.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 116 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_340017397.pdb -s /var/tmp/to_scwrl_340017397.seq -o /var/tmp/from_scwrl_340017397.pdb > /var/tmp/scwrl_340017397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_340017397.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 129 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1080611300.pdb -s /var/tmp/to_scwrl_1080611300.seq -o /var/tmp/from_scwrl_1080611300.pdb > /var/tmp/scwrl_1080611300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1080611300.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 82 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_247442183.pdb -s /var/tmp/to_scwrl_247442183.seq -o /var/tmp/from_scwrl_247442183.pdb > /var/tmp/scwrl_247442183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_247442183.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 # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1445081877.pdb -s /var/tmp/to_scwrl_1445081877.seq -o /var/tmp/from_scwrl_1445081877.pdb > /var/tmp/scwrl_1445081877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1445081877.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 146 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1309907118.pdb -s /var/tmp/to_scwrl_1309907118.seq -o /var/tmp/from_scwrl_1309907118.pdb > /var/tmp/scwrl_1309907118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1309907118.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1286643581.pdb -s /var/tmp/to_scwrl_1286643581.seq -o /var/tmp/from_scwrl_1286643581.pdb > /var/tmp/scwrl_1286643581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1286643581.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 122 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1114443851.pdb -s /var/tmp/to_scwrl_1114443851.seq -o /var/tmp/from_scwrl_1114443851.pdb > /var/tmp/scwrl_1114443851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1114443851.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_45414511.pdb -s /var/tmp/to_scwrl_45414511.seq -o /var/tmp/from_scwrl_45414511.pdb > /var/tmp/scwrl_45414511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45414511.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 122 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_97776286.pdb -s /var/tmp/to_scwrl_97776286.seq -o /var/tmp/from_scwrl_97776286.pdb > /var/tmp/scwrl_97776286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_97776286.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 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1905104716.pdb -s /var/tmp/to_scwrl_1905104716.seq -o /var/tmp/from_scwrl_1905104716.pdb > /var/tmp/scwrl_1905104716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1905104716.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 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1305466250.pdb -s /var/tmp/to_scwrl_1305466250.seq -o /var/tmp/from_scwrl_1305466250.pdb > /var/tmp/scwrl_1305466250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1305466250.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 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_798320141.pdb -s /var/tmp/to_scwrl_798320141.seq -o /var/tmp/from_scwrl_798320141.pdb > /var/tmp/scwrl_798320141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_798320141.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 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_538090154.pdb -s /var/tmp/to_scwrl_538090154.seq -o /var/tmp/from_scwrl_538090154.pdb > /var/tmp/scwrl_538090154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_538090154.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 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1083766357.pdb -s /var/tmp/to_scwrl_1083766357.seq -o /var/tmp/from_scwrl_1083766357.pdb > /var/tmp/scwrl_1083766357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1083766357.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 T0362 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1626525479.pdb -s /var/tmp/to_scwrl_1626525479.seq -o /var/tmp/from_scwrl_1626525479.pdb > /var/tmp/scwrl_1626525479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626525479.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 T0362 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1727334159.pdb -s /var/tmp/to_scwrl_1727334159.seq -o /var/tmp/from_scwrl_1727334159.pdb > /var/tmp/scwrl_1727334159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1727334159.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 T0362 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_295378880.pdb -s /var/tmp/to_scwrl_295378880.seq -o /var/tmp/from_scwrl_295378880.pdb > /var/tmp/scwrl_295378880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_295378880.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 T0362 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1029590911.pdb -s /var/tmp/to_scwrl_1029590911.seq -o /var/tmp/from_scwrl_1029590911.pdb > /var/tmp/scwrl_1029590911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029590911.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 T0362 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2076489803.pdb -s /var/tmp/to_scwrl_2076489803.seq -o /var/tmp/from_scwrl_2076489803.pdb > /var/tmp/scwrl_2076489803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076489803.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1142893479.pdb -s /var/tmp/to_scwrl_1142893479.seq -o /var/tmp/from_scwrl_1142893479.pdb > /var/tmp/scwrl_1142893479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1142893479.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_57003667.pdb -s /var/tmp/to_scwrl_57003667.seq -o /var/tmp/from_scwrl_57003667.pdb > /var/tmp/scwrl_57003667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57003667.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_917332655.pdb -s /var/tmp/to_scwrl_917332655.seq -o /var/tmp/from_scwrl_917332655.pdb > /var/tmp/scwrl_917332655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917332655.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_399950449.pdb -s /var/tmp/to_scwrl_399950449.seq -o /var/tmp/from_scwrl_399950449.pdb > /var/tmp/scwrl_399950449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399950449.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_635977729.pdb -s /var/tmp/to_scwrl_635977729.seq -o /var/tmp/from_scwrl_635977729.pdb > /var/tmp/scwrl_635977729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_635977729.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1390157288.pdb -s /var/tmp/to_scwrl_1390157288.seq -o /var/tmp/from_scwrl_1390157288.pdb > /var/tmp/scwrl_1390157288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1390157288.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 T0362 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1628822427.pdb -s /var/tmp/to_scwrl_1628822427.seq -o /var/tmp/from_scwrl_1628822427.pdb > /var/tmp/scwrl_1628822427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628822427.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 T0362 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_562353680.pdb -s /var/tmp/to_scwrl_562353680.seq -o /var/tmp/from_scwrl_562353680.pdb > /var/tmp/scwrl_562353680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562353680.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 T0362 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1599686963.pdb -s /var/tmp/to_scwrl_1599686963.seq -o /var/tmp/from_scwrl_1599686963.pdb > /var/tmp/scwrl_1599686963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599686963.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 T0362 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1172797348.pdb -s /var/tmp/to_scwrl_1172797348.seq -o /var/tmp/from_scwrl_1172797348.pdb > /var/tmp/scwrl_1172797348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1172797348.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 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_132219497.pdb -s /var/tmp/to_scwrl_132219497.seq -o /var/tmp/from_scwrl_132219497.pdb > /var/tmp/scwrl_132219497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132219497.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 116 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1820008453.pdb -s /var/tmp/to_scwrl_1820008453.seq -o /var/tmp/from_scwrl_1820008453.pdb > /var/tmp/scwrl_1820008453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1820008453.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 102 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1512814746.pdb -s /var/tmp/to_scwrl_1512814746.seq -o /var/tmp/from_scwrl_1512814746.pdb > /var/tmp/scwrl_1512814746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1512814746.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 55 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1212830797.pdb -s /var/tmp/to_scwrl_1212830797.seq -o /var/tmp/from_scwrl_1212830797.pdb > /var/tmp/scwrl_1212830797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1212830797.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 136 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2067450636.pdb -s /var/tmp/to_scwrl_2067450636.seq -o /var/tmp/from_scwrl_2067450636.pdb > /var/tmp/scwrl_2067450636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067450636.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 122 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_810412977.pdb -s /var/tmp/to_scwrl_810412977.seq -o /var/tmp/from_scwrl_810412977.pdb > /var/tmp/scwrl_810412977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_810412977.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 # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_375254270.pdb -s /var/tmp/to_scwrl_375254270.seq -o /var/tmp/from_scwrl_375254270.pdb > /var/tmp/scwrl_375254270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_375254270.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 125 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1206610570.pdb -s /var/tmp/to_scwrl_1206610570.seq -o /var/tmp/from_scwrl_1206610570.pdb > /var/tmp/scwrl_1206610570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1206610570.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 130 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1924856828.pdb -s /var/tmp/to_scwrl_1924856828.seq -o /var/tmp/from_scwrl_1924856828.pdb > /var/tmp/scwrl_1924856828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1924856828.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 97 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_420668781.pdb -s /var/tmp/to_scwrl_420668781.seq -o /var/tmp/from_scwrl_420668781.pdb > /var/tmp/scwrl_420668781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420668781.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1304386856.pdb -s /var/tmp/to_scwrl_1304386856.seq -o /var/tmp/from_scwrl_1304386856.pdb > /var/tmp/scwrl_1304386856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304386856.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 116 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1682477897.pdb -s /var/tmp/to_scwrl_1682477897.seq -o /var/tmp/from_scwrl_1682477897.pdb > /var/tmp/scwrl_1682477897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1682477897.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 127 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1726135031.pdb -s /var/tmp/to_scwrl_1726135031.seq -o /var/tmp/from_scwrl_1726135031.pdb > /var/tmp/scwrl_1726135031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726135031.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 142 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2102706997.pdb -s /var/tmp/to_scwrl_2102706997.seq -o /var/tmp/from_scwrl_2102706997.pdb > /var/tmp/scwrl_2102706997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102706997.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 51 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_73084404.pdb -s /var/tmp/to_scwrl_73084404.seq -o /var/tmp/from_scwrl_73084404.pdb > /var/tmp/scwrl_73084404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_73084404.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 T0362 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_662417742.pdb -s /var/tmp/to_scwrl_662417742.seq -o /var/tmp/from_scwrl_662417742.pdb > /var/tmp/scwrl_662417742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662417742.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 T0362 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1581748829.pdb -s /var/tmp/to_scwrl_1581748829.seq -o /var/tmp/from_scwrl_1581748829.pdb > /var/tmp/scwrl_1581748829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581748829.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 T0362 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1800418564.pdb -s /var/tmp/to_scwrl_1800418564.seq -o /var/tmp/from_scwrl_1800418564.pdb > /var/tmp/scwrl_1800418564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800418564.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 T0362 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_957796622.pdb -s /var/tmp/to_scwrl_957796622.seq -o /var/tmp/from_scwrl_957796622.pdb > /var/tmp/scwrl_957796622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957796622.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 T0362 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_463856093.pdb -s /var/tmp/to_scwrl_463856093.seq -o /var/tmp/from_scwrl_463856093.pdb > /var/tmp/scwrl_463856093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_463856093.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 T0362 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1729424720.pdb -s /var/tmp/to_scwrl_1729424720.seq -o /var/tmp/from_scwrl_1729424720.pdb > /var/tmp/scwrl_1729424720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729424720.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 T0362 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2100690101.pdb -s /var/tmp/to_scwrl_2100690101.seq -o /var/tmp/from_scwrl_2100690101.pdb > /var/tmp/scwrl_2100690101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100690101.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 T0362 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_520859760.pdb -s /var/tmp/to_scwrl_520859760.seq -o /var/tmp/from_scwrl_520859760.pdb > /var/tmp/scwrl_520859760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520859760.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 T0362 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_499273728.pdb -s /var/tmp/to_scwrl_499273728.seq -o /var/tmp/from_scwrl_499273728.pdb > /var/tmp/scwrl_499273728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499273728.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 T0362 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_353156904.pdb -s /var/tmp/to_scwrl_353156904.seq -o /var/tmp/from_scwrl_353156904.pdb > /var/tmp/scwrl_353156904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353156904.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 T0362 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1156837488.pdb -s /var/tmp/to_scwrl_1156837488.seq -o /var/tmp/from_scwrl_1156837488.pdb > /var/tmp/scwrl_1156837488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1156837488.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 148 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1889431016.pdb -s /var/tmp/to_scwrl_1889431016.seq -o /var/tmp/from_scwrl_1889431016.pdb > /var/tmp/scwrl_1889431016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1889431016.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 121 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1981979331.pdb -s /var/tmp/to_scwrl_1981979331.seq -o /var/tmp/from_scwrl_1981979331.pdb > /var/tmp/scwrl_1981979331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1981979331.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 145 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1719191168.pdb -s /var/tmp/to_scwrl_1719191168.seq -o /var/tmp/from_scwrl_1719191168.pdb > /var/tmp/scwrl_1719191168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719191168.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 147 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1341634333.pdb -s /var/tmp/to_scwrl_1341634333.seq -o /var/tmp/from_scwrl_1341634333.pdb > /var/tmp/scwrl_1341634333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341634333.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 126 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1007293034.pdb -s /var/tmp/to_scwrl_1007293034.seq -o /var/tmp/from_scwrl_1007293034.pdb > /var/tmp/scwrl_1007293034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1007293034.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 T0362 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1851410665.pdb -s /var/tmp/to_scwrl_1851410665.seq -o /var/tmp/from_scwrl_1851410665.pdb > /var/tmp/scwrl_1851410665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851410665.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 T0362 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1014159140.pdb -s /var/tmp/to_scwrl_1014159140.seq -o /var/tmp/from_scwrl_1014159140.pdb > /var/tmp/scwrl_1014159140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014159140.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 T0362 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_372624133.pdb -s /var/tmp/to_scwrl_372624133.seq -o /var/tmp/from_scwrl_372624133.pdb > /var/tmp/scwrl_372624133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_372624133.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_916757817.pdb -s /var/tmp/to_scwrl_916757817.seq -o /var/tmp/from_scwrl_916757817.pdb > /var/tmp/scwrl_916757817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916757817.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 T0362 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_934126129.pdb -s /var/tmp/to_scwrl_934126129.seq -o /var/tmp/from_scwrl_934126129.pdb > /var/tmp/scwrl_934126129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_934126129.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1183037109.pdb -s /var/tmp/to_scwrl_1183037109.seq -o /var/tmp/from_scwrl_1183037109.pdb > /var/tmp/scwrl_1183037109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1183037109.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 112 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1292012086.pdb -s /var/tmp/to_scwrl_1292012086.seq -o /var/tmp/from_scwrl_1292012086.pdb > /var/tmp/scwrl_1292012086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292012086.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 142 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2140736700.pdb -s /var/tmp/to_scwrl_2140736700.seq -o /var/tmp/from_scwrl_2140736700.pdb > /var/tmp/scwrl_2140736700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2140736700.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 105 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_960410292.pdb -s /var/tmp/to_scwrl_960410292.seq -o /var/tmp/from_scwrl_960410292.pdb > /var/tmp/scwrl_960410292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_960410292.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 119 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1712680867.pdb -s /var/tmp/to_scwrl_1712680867.seq -o /var/tmp/from_scwrl_1712680867.pdb > /var/tmp/scwrl_1712680867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712680867.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 105 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1297639909.pdb -s /var/tmp/to_scwrl_1297639909.seq -o /var/tmp/from_scwrl_1297639909.pdb > /var/tmp/scwrl_1297639909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1297639909.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_495404542.pdb -s /var/tmp/to_scwrl_495404542.seq -o /var/tmp/from_scwrl_495404542.pdb > /var/tmp/scwrl_495404542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_495404542.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1291332251.pdb -s /var/tmp/to_scwrl_1291332251.seq -o /var/tmp/from_scwrl_1291332251.pdb > /var/tmp/scwrl_1291332251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1291332251.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 150 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1252863260.pdb -s /var/tmp/to_scwrl_1252863260.seq -o /var/tmp/from_scwrl_1252863260.pdb > /var/tmp/scwrl_1252863260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1252863260.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 149 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_568488947.pdb -s /var/tmp/to_scwrl_568488947.seq -o /var/tmp/from_scwrl_568488947.pdb > /var/tmp/scwrl_568488947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_568488947.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 148 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1953749993.pdb -s /var/tmp/to_scwrl_1953749993.seq -o /var/tmp/from_scwrl_1953749993.pdb > /var/tmp/scwrl_1953749993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1953749993.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 T0362 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_687128443.pdb -s /var/tmp/to_scwrl_687128443.seq -o /var/tmp/from_scwrl_687128443.pdb > /var/tmp/scwrl_687128443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_687128443.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 T0362 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_221423864.pdb -s /var/tmp/to_scwrl_221423864.seq -o /var/tmp/from_scwrl_221423864.pdb > /var/tmp/scwrl_221423864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_221423864.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 T0362 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_764062969.pdb -s /var/tmp/to_scwrl_764062969.seq -o /var/tmp/from_scwrl_764062969.pdb > /var/tmp/scwrl_764062969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764062969.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1150984536.pdb -s /var/tmp/to_scwrl_1150984536.seq -o /var/tmp/from_scwrl_1150984536.pdb > /var/tmp/scwrl_1150984536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1150984536.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1950848584.pdb -s /var/tmp/to_scwrl_1950848584.seq -o /var/tmp/from_scwrl_1950848584.pdb > /var/tmp/scwrl_1950848584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1950848584.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_717269423.pdb -s /var/tmp/to_scwrl_717269423.seq -o /var/tmp/from_scwrl_717269423.pdb > /var/tmp/scwrl_717269423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_717269423.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 7 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1671844296.pdb -s /var/tmp/to_scwrl_1671844296.seq -o /var/tmp/from_scwrl_1671844296.pdb > /var/tmp/scwrl_1671844296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1671844296.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_302638666.pdb -s /var/tmp/to_scwrl_302638666.seq -o /var/tmp/from_scwrl_302638666.pdb > /var/tmp/scwrl_302638666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_302638666.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1070426327.pdb -s /var/tmp/to_scwrl_1070426327.seq -o /var/tmp/from_scwrl_1070426327.pdb > /var/tmp/scwrl_1070426327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070426327.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 T0362 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_681198139.pdb -s /var/tmp/to_scwrl_681198139.seq -o /var/tmp/from_scwrl_681198139.pdb > /var/tmp/scwrl_681198139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681198139.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 T0362 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_44586035.pdb -s /var/tmp/to_scwrl_44586035.seq -o /var/tmp/from_scwrl_44586035.pdb > /var/tmp/scwrl_44586035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_44586035.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 T0362 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_904922012.pdb -s /var/tmp/to_scwrl_904922012.seq -o /var/tmp/from_scwrl_904922012.pdb > /var/tmp/scwrl_904922012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_904922012.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 T0362 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_252905660.pdb -s /var/tmp/to_scwrl_252905660.seq -o /var/tmp/from_scwrl_252905660.pdb > /var/tmp/scwrl_252905660.log Error: can't open any of /var/tmp/from_scwrl_252905660.pdb or /var/tmp/from_scwrl_252905660_b.pdb or /var/tmp/from_scwrl_252905660_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1386220368.pdb -s /var/tmp/to_scwrl_1386220368.seq -o /var/tmp/from_scwrl_1386220368.pdb > /var/tmp/scwrl_1386220368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386220368.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 T0362 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_1912215045.pdb -s /var/tmp/to_scwrl_1912215045.seq -o /var/tmp/from_scwrl_1912215045.pdb > /var/tmp/scwrl_1912215045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912215045.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 T0362 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_2104316326.pdb -s /var/tmp/to_scwrl_2104316326.seq -o /var/tmp/from_scwrl_2104316326.pdb > /var/tmp/scwrl_2104316326.log Error: can't open any of /var/tmp/from_scwrl_2104316326.pdb or /var/tmp/from_scwrl_2104316326_b.pdb or /var/tmp/from_scwrl_2104316326_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0362 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 136 ; scwrl -i /var/tmp/to_scwrl_252895861.pdb -s /var/tmp/to_scwrl_252895861.seq -o /var/tmp/from_scwrl_252895861.pdb > /var/tmp/scwrl_252895861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252895861.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 44.946 sec, elapsed time= 3119.486 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 436.114 real_cost = -93.529 shub_TS1 costs 410.376 real_cost = -86.433 panther2_TS1-scwrl costs 814.079 real_cost = -17.894 nFOLD_TS5-scwrl costs 528.541 real_cost = -76.025 nFOLD_TS5 costs 3275.880 real_cost = -11.631 nFOLD_TS4-scwrl costs 571.810 real_cost = -97.663 nFOLD_TS4 costs 2808.262 real_cost = -34.250 nFOLD_TS3-scwrl costs 21712.910 real_cost = 15.082 nFOLD_TS2-scwrl costs 544.578 real_cost = -109.942 nFOLD_TS2 costs 4305.062 real_cost = -49.418 nFOLD_TS1-scwrl costs 497.302 real_cost = -122.847 nFOLD_TS1 costs 5948.332 real_cost = -50.784 mGen-3D_TS1-scwrl costs 528.190 real_cost = -109.128 mGen-3D_TS1 costs 4266.840 real_cost = -54.084 keasar-server_TS5-scwrl costs 390.100 real_cost = -105.747 keasar-server_TS5 costs 386.804 real_cost = -104.181 keasar-server_TS4-scwrl costs 395.311 real_cost = -88.955 keasar-server_TS4 costs 394.253 real_cost = -78.295 keasar-server_TS3-scwrl costs 397.772 real_cost = -81.665 keasar-server_TS3 costs 393.154 real_cost = -78.683 keasar-server_TS2-scwrl costs 381.209 real_cost = -99.730 keasar-server_TS2 costs 380.226 real_cost = -90.998 keasar-server_TS1-scwrl costs 384.768 real_cost = -107.757 keasar-server_TS1 costs 387.453 real_cost = -94.050 karypis.srv_TS5-scwrl costs 602.528 real_cost = 31.608 karypis.srv_TS5 costs 589.795 real_cost = 29.329 karypis.srv_TS3-scwrl costs 453.579 real_cost = 15.003 karypis.srv_TS3 costs 448.838 real_cost = 13.318 karypis.srv_TS2-scwrl costs 496.994 real_cost = -97.453 karypis.srv_TS2 costs 487.408 real_cost = -98.037 karypis.srv_TS1-scwrl costs 462.908 real_cost = -108.600 karypis.srv_TS1 costs 448.005 real_cost = -111.156 karypis.srv.4_TS5-scwrl costs 570.404 real_cost = 304.747 karypis.srv.4_TS5 costs 570.843 real_cost = 304.755 karypis.srv.4_TS4-scwrl costs 538.752 real_cost = 272.748 karypis.srv.4_TS4 costs 537.713 real_cost = 273.343 karypis.srv.4_TS3-scwrl costs 550.553 real_cost = 316.597 karypis.srv.4_TS3 costs 549.976 real_cost = 316.589 karypis.srv.4_TS2-scwrl costs 575.824 real_cost = 332.759 karypis.srv.4_TS2 costs 571.629 real_cost = 331.839 karypis.srv.4_TS1-scwrl costs 541.156 real_cost = 292.825 karypis.srv.4_TS1 costs 540.531 real_cost = 293.321 karypis.srv.2_TS5-scwrl costs 521.056 real_cost = 135.862 karypis.srv.2_TS5 costs 521.056 real_cost = 135.862 karypis.srv.2_TS4-scwrl costs 503.554 real_cost = 118.153 karypis.srv.2_TS4 costs 503.554 real_cost = 118.153 karypis.srv.2_TS3-scwrl costs 515.883 real_cost = 172.545 karypis.srv.2_TS3 costs 515.664 real_cost = 172.543 karypis.srv.2_TS2-scwrl costs 482.929 real_cost = 105.726 karypis.srv.2_TS2 costs 482.929 real_cost = 105.726 karypis.srv.2_TS1-scwrl costs 724.273 real_cost = 109.632 karypis.srv.2_TS1 costs 733.972 real_cost = 100.395 forecast-s_AL5-scwrl costs 733.188 real_cost = 94.944 forecast-s_AL5 costs 11883.079 real_cost = 176.272 forecast-s_AL3-scwrl costs 523.007 real_cost = -126.242 forecast-s_AL3 costs 25663.800 real_cost = -38.174 forecast-s_AL2-scwrl costs 596.746 real_cost = -64.232 forecast-s_AL2 costs 28331.404 real_cost = 23.022 forecast-s_AL1-scwrl costs 527.704 real_cost = -92.185 forecast-s_AL1 costs 13567.415 real_cost = 2.118 beautshotbase_TS1-scwrl costs 475.735 real_cost = -102.917 beautshotbase_TS1 costs 455.476 real_cost = -111.308 beautshot_TS1-scwrl costs 434.698 real_cost = -94.295 beautshot_TS1 costs 419.535 real_cost = -87.347 Zhang-Server_TS5-scwrl costs 367.283 real_cost = -157.571 Zhang-Server_TS5 costs 367.283 real_cost = -157.571 Zhang-Server_TS4-scwrl costs 371.170 real_cost = -156.895 Zhang-Server_TS4 costs 371.170 real_cost = -156.895 Zhang-Server_TS3-scwrl costs 376.708 real_cost = -155.611 Zhang-Server_TS3 costs 376.370 real_cost = -156.044 Zhang-Server_TS2-scwrl costs 369.169 real_cost = -163.620 Zhang-Server_TS2 costs 369.169 real_cost = -163.620 Zhang-Server_TS1-scwrl costs 367.570 real_cost = -169.829 Zhang-Server_TS1 costs 367.010 real_cost = -169.813 UNI-EID_sfst_AL5-scwrl costs 560.935 real_cost = -61.530 UNI-EID_sfst_AL5 costs 39007.362 real_cost = 7.666 UNI-EID_sfst_AL4-scwrl costs 557.621 real_cost = -57.770 UNI-EID_sfst_AL4 costs 28222.002 real_cost = 31.481 UNI-EID_sfst_AL3-scwrl costs 557.457 real_cost = -120.590 UNI-EID_sfst_AL3 costs 15803.202 real_cost = -51.525 UNI-EID_sfst_AL2-scwrl costs 516.910 real_cost = -124.827 UNI-EID_sfst_AL2 costs 25928.948 real_cost = -39.149 UNI-EID_sfst_AL1-scwrl costs 546.061 real_cost = -98.883 UNI-EID_sfst_AL1 costs 32110.290 real_cost = -12.697 UNI-EID_expm_TS1-scwrl costs 540.346 real_cost = -110.062 UNI-EID_expm_TS1 costs 6326.695 real_cost = -41.409 UNI-EID_bnmx_TS5-scwrl costs 528.407 real_cost = -66.556 UNI-EID_bnmx_TS5 costs 39083.775 real_cost = 10.434 UNI-EID_bnmx_TS4-scwrl costs 525.250 real_cost = -63.273 UNI-EID_bnmx_TS4 costs 28410.996 real_cost = 33.545 UNI-EID_bnmx_TS3-scwrl costs 535.277 real_cost = -133.615 UNI-EID_bnmx_TS3 costs 15902.098 real_cost = -61.507 UNI-EID_bnmx_TS2-scwrl costs 516.910 real_cost = -124.827 UNI-EID_bnmx_TS2 costs 25928.948 real_cost = -39.149 UNI-EID_bnmx_TS1-scwrl costs 497.160 real_cost = -121.602 UNI-EID_bnmx_TS1 costs 32758.149 real_cost = -22.886 SPARKS2_TS5-scwrl costs 381.478 real_cost = -80.506 SPARKS2_TS5 costs 383.790 real_cost = -71.580 SPARKS2_TS4-scwrl costs 417.883 real_cost = -104.890 SPARKS2_TS4 costs 411.321 real_cost = -101.732 SPARKS2_TS3-scwrl costs 389.272 real_cost = -115.523 SPARKS2_TS3 costs 397.967 real_cost = -107.441 SPARKS2_TS2-scwrl costs 372.485 real_cost = -154.431 SPARKS2_TS2 costs 380.097 real_cost = -156.926 SPARKS2_TS1-scwrl costs 363.309 real_cost = -147.996 SPARKS2_TS1 costs 373.427 real_cost = -142.507 SP4_TS5-scwrl costs 392.289 real_cost = -69.498 SP4_TS5 costs 392.550 real_cost = -69.356 SP4_TS4-scwrl costs 383.861 real_cost = -124.245 SP4_TS4 costs 388.970 real_cost = -123.209 SP4_TS3-scwrl costs 387.992 real_cost = -89.529 SP4_TS3 costs 388.696 real_cost = -96.022 SP4_TS2-scwrl costs 364.430 real_cost = -146.982 SP4_TS2 costs 373.240 real_cost = -145.183 SP4_TS1-scwrl costs 381.692 real_cost = -133.119 SP4_TS1 costs 385.636 real_cost = -139.357 SP3_TS5-scwrl costs 378.508 real_cost = -116.427 SP3_TS5 costs 381.125 real_cost = -110.925 SP3_TS4-scwrl costs 379.984 real_cost = -78.837 SP3_TS4 costs 386.079 real_cost = -75.199 SP3_TS3-scwrl costs 384.920 real_cost = -106.388 SP3_TS3 costs 395.468 real_cost = -110.498 SP3_TS2-scwrl costs 372.485 real_cost = -154.431 SP3_TS2 costs 380.097 real_cost = -156.926 SP3_TS1-scwrl costs 363.309 real_cost = -147.996 SP3_TS1 costs 373.427 real_cost = -142.507 SAM_T06_server_TS5-scwrl costs 838.177 real_cost = 65.143 SAM_T06_server_TS5 costs 722.145 real_cost = 6.658 SAM_T06_server_TS4-scwrl costs 620.939 real_cost = -63.551 SAM_T06_server_TS4 costs 575.886 real_cost = -69.930 SAM_T06_server_TS3-scwrl costs 547.183 real_cost = -133.038 SAM_T06_server_TS3 costs 508.122 real_cost = -139.268 SAM_T06_server_TS2-scwrl costs 565.617 real_cost = -118.026 SAM_T06_server_TS2 costs 527.882 real_cost = -115.571 SAM_T06_server_TS1-scwrl costs 328.293 real_cost = -146.067 SAM_T06_server_TS1 costs 324.008 real_cost = -146.882 SAM-T99_AL5-scwrl costs 524.420 real_cost = -127.258 SAM-T99_AL5 costs 76071.933 real_cost = -40.411 SAM-T99_AL4-scwrl costs 499.448 real_cost = -124.494 SAM-T99_AL4 costs 102597.686 real_cost = -31.571 SAM-T99_AL3-scwrl costs 534.596 real_cost = -128.597 SAM-T99_AL3 costs 18635.115 real_cost = -40.293 SAM-T99_AL2-scwrl costs 525.812 real_cost = -122.315 SAM-T99_AL2 costs 34025.230 real_cost = -37.588 SAM-T99_AL1-scwrl costs 539.513 real_cost = -117.876 SAM-T99_AL1 costs 30737.033 real_cost = -33.360 SAM-T02_AL5-scwrl costs 545.177 real_cost = -70.770 SAM-T02_AL5 costs 31049.112 real_cost = 15.574 SAM-T02_AL4-scwrl costs 580.543 real_cost = -67.904 SAM-T02_AL4 costs 41985.179 real_cost = 10.619 SAM-T02_AL3-scwrl costs 537.000 real_cost = -123.271 SAM-T02_AL3 costs 25642.859 real_cost = -36.295 SAM-T02_AL2-scwrl costs 599.773 real_cost = -87.203 SAM-T02_AL2 costs 14538.986 real_cost = -2.975 SAM-T02_AL1-scwrl costs 565.096 real_cost = -104.936 SAM-T02_AL1 costs 14373.761 real_cost = -34.649 ROKKY_TS5-scwrl costs 381.986 real_cost = -132.976 ROKKY_TS5 costs 387.068 real_cost = -127.978 ROKKY_TS4-scwrl costs 420.779 real_cost = -67.893 ROKKY_TS4 costs 426.547 real_cost = -65.665 ROKKY_TS3-scwrl costs 386.035 real_cost = -61.863 ROKKY_TS3 costs 395.244 real_cost = -55.705 ROKKY_TS2-scwrl costs 384.706 real_cost = -105.678 ROKKY_TS2 costs 384.414 real_cost = -103.642 ROKKY_TS1-scwrl costs 364.661 real_cost = -145.203 ROKKY_TS1 costs 373.724 real_cost = -143.872 ROBETTA_TS5-scwrl costs 357.909 real_cost = -103.462 ROBETTA_TS5 costs 352.416 real_cost = -105.838 ROBETTA_TS4-scwrl costs 346.479 real_cost = -150.383 ROBETTA_TS4 costs 342.862 real_cost = -147.175 ROBETTA_TS3-scwrl costs 354.660 real_cost = -155.788 ROBETTA_TS3 costs 350.495 real_cost = -158.347 ROBETTA_TS2-scwrl costs 357.432 real_cost = -152.978 ROBETTA_TS2 costs 351.860 real_cost = -154.900 ROBETTA_TS1-scwrl costs 347.013 real_cost = -166.131 ROBETTA_TS1 costs 342.137 real_cost = -165.860 RAPTOR_TS5-scwrl costs 375.100 real_cost = -112.798 RAPTOR_TS5 costs 379.565 real_cost = -106.901 RAPTOR_TS4-scwrl costs 357.340 real_cost = -138.415 RAPTOR_TS4 costs 366.128 real_cost = -138.597 RAPTOR_TS3-scwrl costs 380.982 real_cost = -91.708 RAPTOR_TS3 costs 389.037 real_cost = -93.701 RAPTOR_TS2-scwrl costs 363.871 real_cost = -147.770 RAPTOR_TS2 costs 377.806 real_cost = -141.400 RAPTOR_TS1-scwrl costs 382.287 real_cost = -89.088 RAPTOR_TS1 costs 388.000 real_cost = -93.851 RAPTORESS_TS5-scwrl costs 369.610 real_cost = -95.645 RAPTORESS_TS5 costs 374.046 real_cost = -86.725 RAPTORESS_TS4-scwrl costs 374.317 real_cost = -141.033 RAPTORESS_TS4 costs 376.907 real_cost = -135.979 RAPTORESS_TS3-scwrl costs 369.090 real_cost = -124.316 RAPTORESS_TS3 costs 374.491 real_cost = -113.085 RAPTORESS_TS2-scwrl costs 380.994 real_cost = -124.342 RAPTORESS_TS2 costs 385.856 real_cost = -111.981 RAPTORESS_TS1-scwrl costs 369.173 real_cost = -101.851 RAPTORESS_TS1 costs 374.089 real_cost = -91.949 RAPTOR-ACE_TS5-scwrl costs 381.477 real_cost = -103.443 RAPTOR-ACE_TS5 costs 390.949 real_cost = -103.721 RAPTOR-ACE_TS4-scwrl costs 389.798 real_cost = -103.308 RAPTOR-ACE_TS4 costs 392.877 real_cost = -102.818 RAPTOR-ACE_TS3-scwrl costs 378.118 real_cost = -145.918 RAPTOR-ACE_TS3 costs 383.305 real_cost = -137.246 RAPTOR-ACE_TS2-scwrl costs 358.325 real_cost = -131.028 RAPTOR-ACE_TS2 costs 367.428 real_cost = -130.494 RAPTOR-ACE_TS1-scwrl costs 378.473 real_cost = -102.256 RAPTOR-ACE_TS1 costs 384.592 real_cost = -109.645 Pmodeller6_TS5-scwrl costs 346.479 real_cost = -150.383 Pmodeller6_TS5 costs 342.862 real_cost = -147.175 Pmodeller6_TS4-scwrl costs 484.424 real_cost = -117.744 Pmodeller6_TS4 costs 465.950 real_cost = -123.564 Pmodeller6_TS3-scwrl costs 479.433 real_cost = -93.068 Pmodeller6_TS3 costs 461.627 real_cost = -97.518 Pmodeller6_TS2-scwrl costs 357.909 real_cost = -103.462 Pmodeller6_TS2 costs 352.416 real_cost = -105.838 Pmodeller6_TS1-scwrl costs 347.013 real_cost = -166.131 Pmodeller6_TS1 costs 342.137 real_cost = -165.860 Phyre-2_TS5-scwrl costs 393.609 real_cost = -125.313 Phyre-2_TS5 costs 409.055 real_cost = -123.334 Phyre-2_TS4-scwrl costs 394.276 real_cost = -131.320 Phyre-2_TS4 costs 409.965 real_cost = -129.580 Phyre-2_TS3-scwrl costs 460.999 real_cost = -118.612 Phyre-2_TS3 costs 456.543 real_cost = -119.280 Phyre-2_TS2-scwrl costs 393.578 real_cost = -121.587 Phyre-2_TS2 costs 409.189 real_cost = -118.798 Phyre-2_TS1-scwrl costs 392.956 real_cost = -133.094 Phyre-2_TS1 costs 407.741 real_cost = -129.993 Phyre-1_TS1-scwrl costs 469.275 real_cost = -128.347 Phyre-1_TS1 costs 447.773 real_cost = -130.081 Pcons6_TS5-scwrl costs 456.069 real_cost = -108.127 Pcons6_TS5 costs 443.564 real_cost = -111.804 Pcons6_TS4-scwrl costs 484.728 real_cost = -80.188 Pcons6_TS4 costs 472.471 real_cost = -83.580 Pcons6_TS3-scwrl costs 465.349 real_cost = -108.255 Pcons6_TS3 costs 454.993 real_cost = -113.985 Pcons6_TS2-scwrl costs 449.483 real_cost = -128.949 Pcons6_TS2 costs 432.943 real_cost = -136.768 Pcons6_TS1-scwrl costs 461.308 real_cost = -122.335 Pcons6_TS1 costs 445.604 real_cost = -126.184 PROTINFO_TS5-scwrl costs 433.397 real_cost = -146.807 PROTINFO_TS5 costs 416.621 real_cost = -150.935 PROTINFO_TS4-scwrl costs 361.730 real_cost = -165.225 PROTINFO_TS4 costs 367.075 real_cost = -167.257 PROTINFO_TS3-scwrl costs 463.092 real_cost = -107.844 PROTINFO_TS3 costs 450.471 real_cost = -109.029 PROTINFO_TS2-scwrl costs 358.638 real_cost = -165.420 PROTINFO_TS2 costs 364.975 real_cost = -166.358 PROTINFO_TS1-scwrl costs 345.867 real_cost = -158.749 PROTINFO_TS1 costs 347.041 real_cost = -152.299 PROTINFO-AB_TS5-scwrl costs 357.835 real_cost = -167.034 PROTINFO-AB_TS5 costs 364.275 real_cost = -167.228 PROTINFO-AB_TS4-scwrl costs 361.730 real_cost = -165.225 PROTINFO-AB_TS4 costs 367.075 real_cost = -167.257 PROTINFO-AB_TS3-scwrl costs 358.911 real_cost = -168.500 PROTINFO-AB_TS3 costs 366.434 real_cost = -173.735 PROTINFO-AB_TS2-scwrl costs 360.209 real_cost = -171.294 PROTINFO-AB_TS2 costs 366.980 real_cost = -166.463 PROTINFO-AB_TS1-scwrl costs 358.638 real_cost = -165.420 PROTINFO-AB_TS1 costs 364.975 real_cost = -166.358 NN_PUT_lab_TS1-scwrl costs 473.174 real_cost = -81.310 NN_PUT_lab_TS1 costs 463.338 real_cost = -81.041 MetaTasser_TS5-scwrl costs 448.647 real_cost = -124.585 MetaTasser_TS5 costs 482.113 real_cost = -125.672 MetaTasser_TS4-scwrl costs 497.432 real_cost = -83.633 MetaTasser_TS4 costs 523.582 real_cost = -78.720 MetaTasser_TS3-scwrl costs 444.526 real_cost = -112.368 MetaTasser_TS3 costs 475.403 real_cost = -112.955 MetaTasser_TS2-scwrl costs 455.606 real_cost = -143.650 MetaTasser_TS2 costs 484.799 real_cost = -144.641 MetaTasser_TS1-scwrl costs 479.921 real_cost = -109.284 MetaTasser_TS1 costs 512.232 real_cost = -101.611 Ma-OPUS-server_TS5-scwrl costs 371.389 real_cost = -123.144 Ma-OPUS-server_TS5 costs 376.960 real_cost = -120.132 Ma-OPUS-server_TS4-scwrl costs 398.110 real_cost = -110.089 Ma-OPUS-server_TS4 costs 404.294 real_cost = -100.119 Ma-OPUS-server_TS3-scwrl costs 382.830 real_cost = -99.163 Ma-OPUS-server_TS3 costs 386.017 real_cost = -91.540 Ma-OPUS-server_TS2-scwrl costs 379.675 real_cost = -85.237 Ma-OPUS-server_TS2 costs 385.100 real_cost = -82.149 Ma-OPUS-server_TS1-scwrl costs 359.123 real_cost = -129.277 Ma-OPUS-server_TS1 costs 366.256 real_cost = -130.837 Ma-OPUS-server2_TS5-scwrl costs 389.101 real_cost = -110.913 Ma-OPUS-server2_TS5 costs 393.732 real_cost = -108.249 Ma-OPUS-server2_TS4-scwrl costs 387.486 real_cost = -67.090 Ma-OPUS-server2_TS4 costs 385.387 real_cost = -66.015 Ma-OPUS-server2_TS3-scwrl costs 409.453 real_cost = -89.047 Ma-OPUS-server2_TS3 costs 420.254 real_cost = -72.992 Ma-OPUS-server2_TS2-scwrl costs 359.123 real_cost = -129.277 Ma-OPUS-server2_TS2 costs 366.256 real_cost = -130.837 Ma-OPUS-server2_TS1-scwrl costs 360.000 real_cost = -147.331 Ma-OPUS-server2_TS1 costs 370.280 real_cost = -143.027 MIG_FROST_AL1-scwrl costs 26258.106 real_cost = 278.393 LOOPP_TS5-scwrl costs 516.693 real_cost = -32.289 LOOPP_TS5 costs 504.280 real_cost = -25.732 LOOPP_TS4-scwrl costs 500.740 real_cost = -53.273 LOOPP_TS4 costs 486.412 real_cost = -51.166 LOOPP_TS3-scwrl costs 499.734 real_cost = -56.548 LOOPP_TS3 costs 492.076 real_cost = -49.984 LOOPP_TS2-scwrl costs 521.815 real_cost = -28.282 LOOPP_TS2 costs 500.110 real_cost = -32.941 LOOPP_TS1-scwrl costs 473.174 real_cost = -81.310 LOOPP_TS1 costs 463.338 real_cost = -81.041 Huber-Torda-Server_TS5-scwrl costs 704.697 real_cost = 32.073 Huber-Torda-Server_TS5 costs 3598.184 real_cost = 95.608 Huber-Torda-Server_TS4-scwrl costs 598.284 real_cost = 0.591 Huber-Torda-Server_TS4 costs 7749.037 real_cost = 54.325 Huber-Torda-Server_TS3-scwrl costs 536.326 real_cost = -113.580 Huber-Torda-Server_TS3 costs 5220.766 real_cost = -51.230 Huber-Torda-Server_TS2-scwrl costs 560.267 real_cost = -34.798 Huber-Torda-Server_TS2 costs 4170.759 real_cost = 13.525 Huber-Torda-Server_TS1-scwrl costs 555.223 real_cost = -90.288 Huber-Torda-Server_TS1 costs 6230.340 real_cost = -31.318 HHpred3_TS1-scwrl costs 365.744 real_cost = -140.453 HHpred3_TS1 costs 370.615 real_cost = -142.986 HHpred2_TS1-scwrl costs 365.744 real_cost = -140.453 HHpred2_TS1 costs 370.615 real_cost = -142.986 HHpred1_TS1-scwrl costs 367.077 real_cost = -158.291 HHpred1_TS1 costs 369.826 real_cost = -149.964 GeneSilicoMetaServer_TS5-scwrl costs 445.458 real_cost = -122.850 GeneSilicoMetaServer_TS5 costs 441.223 real_cost = -132.547 GeneSilicoMetaServer_TS4-scwrl costs 490.068 real_cost = -78.582 GeneSilicoMetaServer_TS4 costs 480.467 real_cost = -77.745 GeneSilicoMetaServer_TS3-scwrl costs 415.447 real_cost = -115.557 GeneSilicoMetaServer_TS3 costs 420.155 real_cost = -118.477 GeneSilicoMetaServer_TS2-scwrl costs 426.506 real_cost = -91.467 GeneSilicoMetaServer_TS2 costs 423.124 real_cost = -97.172 GeneSilicoMetaServer_TS1-scwrl costs 422.484 real_cost = -111.959 GeneSilicoMetaServer_TS1 costs 428.577 real_cost = -107.887 FUNCTION_TS5-scwrl costs 416.853 real_cost = -115.543 FUNCTION_TS5 costs 409.700 real_cost = -111.954 FUNCTION_TS4-scwrl costs 405.521 real_cost = -97.870 FUNCTION_TS4 costs 418.896 real_cost = -99.027 FUNCTION_TS3-scwrl costs 412.121 real_cost = -93.804 FUNCTION_TS3 costs 424.551 real_cost = -95.734 FUNCTION_TS2-scwrl costs 414.958 real_cost = -84.362 FUNCTION_TS2 costs 425.511 real_cost = -84.438 FUNCTION_TS1-scwrl costs 413.353 real_cost = -68.230 FUNCTION_TS1 costs 425.699 real_cost = -68.174 FUGUE_AL5-scwrl costs 510.496 real_cost = 42.325 FUGUE_AL5 costs 36068.236 real_cost = 124.508 FUGUE_AL3-scwrl costs 560.200 real_cost = -80.124 FUGUE_AL3 costs 30865.984 real_cost = 6.542 FUGUE_AL2-scwrl costs 523.787 real_cost = -73.339 FUGUE_AL2 costs 39078.662 real_cost = 6.163 FUGUE_AL1-scwrl costs 532.584 real_cost = -115.967 FUGUE_AL1 costs 35025.301 real_cost = -32.193 FUGMOD_TS5-scwrl costs 411.743 real_cost = 19.464 FUGMOD_TS5 costs 409.813 real_cost = 18.362 FUGMOD_TS4-scwrl costs 426.096 real_cost = 19.820 FUGMOD_TS3-scwrl costs 474.939 real_cost = -56.413 FUGMOD_TS3 costs 467.131 real_cost = -57.086 FUGMOD_TS2-scwrl costs 469.802 real_cost = -91.676 FUGMOD_TS2 costs 456.463 real_cost = -92.997 FUGMOD_TS1-scwrl costs 446.858 real_cost = -138.991 FUGMOD_TS1 costs 441.930 real_cost = -139.936 FPSOLVER-SERVER_TS5-scwrl costs 477.681 real_cost = 338.616 FPSOLVER-SERVER_TS5 costs 479.266 real_cost = 340.583 FPSOLVER-SERVER_TS4-scwrl costs 489.415 real_cost = 309.036 FPSOLVER-SERVER_TS4 costs 492.175 real_cost = 312.789 FPSOLVER-SERVER_TS3-scwrl costs 496.856 real_cost = 318.132 FPSOLVER-SERVER_TS3 costs 496.761 real_cost = 317.489 FPSOLVER-SERVER_TS2-scwrl costs 493.569 real_cost = 325.930 FPSOLVER-SERVER_TS2 costs 494.894 real_cost = 330.673 FPSOLVER-SERVER_TS1-scwrl costs 507.937 real_cost = 329.942 FPSOLVER-SERVER_TS1 costs 509.179 real_cost = 326.942 FORTE2_AL5-scwrl costs 510.937 real_cost = -109.521 FORTE2_AL5 costs 13737.727 real_cost = -16.839 FORTE2_AL4-scwrl costs 480.281 real_cost = -140.456 FORTE2_AL4 costs 33974.651 real_cost = -42.713 FORTE2_AL3-scwrl costs 531.078 real_cost = -73.479 FORTE2_AL3 costs 28794.575 real_cost = 22.349 FORTE2_AL2-scwrl costs 107900.831 real_cost = -15.376 FORTE2_AL1-scwrl costs 523.377 real_cost = -2.618 FORTE2_AL1 costs 15238.272 real_cost = 96.903 FORTE1_AL5-scwrl costs 510.937 real_cost = -109.521 FORTE1_AL5 costs 13737.727 real_cost = -16.839 FORTE1_AL4-scwrl costs 480.281 real_cost = -140.456 FORTE1_AL4 costs 33974.651 real_cost = -42.713 FORTE1_AL3-scwrl costs 531.078 real_cost = -73.479 FORTE1_AL3 costs 28794.575 real_cost = 22.349 FORTE1_AL2-scwrl costs 107900.831 real_cost = -15.376 FORTE1_AL1-scwrl costs 525.463 real_cost = -96.579 FORTE1_AL1 costs 13127.865 real_cost = -3.746 FOLDpro_TS5-scwrl costs 385.733 real_cost = -44.382 FOLDpro_TS5 costs 392.551 real_cost = -43.812 FOLDpro_TS4-scwrl costs 380.394 real_cost = -110.687 FOLDpro_TS4 costs 387.349 real_cost = -113.088 FOLDpro_TS3-scwrl costs 392.518 real_cost = -118.036 FOLDpro_TS3 costs 399.020 real_cost = -115.564 FOLDpro_TS2-scwrl costs 400.465 real_cost = -120.435 FOLDpro_TS2 costs 402.092 real_cost = -121.809 FOLDpro_TS1-scwrl costs 380.451 real_cost = -111.260 FOLDpro_TS1 costs 390.523 real_cost = -108.826 FAMS_TS5-scwrl costs 416.853 real_cost = -115.543 FAMS_TS5 costs 409.700 real_cost = -111.954 FAMS_TS4-scwrl costs 392.066 real_cost = -145.462 FAMS_TS4 costs 401.732 real_cost = -137.272 FAMS_TS3-scwrl costs 448.613 real_cost = -102.377 FAMS_TS3 costs 426.685 real_cost = -103.250 FAMS_TS2-scwrl costs 396.400 real_cost = -146.794 FAMS_TS2 costs 404.530 real_cost = -138.671 FAMS_TS1-scwrl costs 424.074 real_cost = -63.941 FAMS_TS1 costs 425.100 real_cost = -62.704 FAMSD_TS5-scwrl costs 479.166 real_cost = -98.726 FAMSD_TS5 costs 459.143 real_cost = -102.060 FAMSD_TS4-scwrl costs 451.819 real_cost = -108.490 FAMSD_TS4 costs 444.047 real_cost = -105.336 FAMSD_TS3-scwrl costs 444.178 real_cost = -120.774 FAMSD_TS3 costs 419.099 real_cost = -125.410 FAMSD_TS2-scwrl costs 487.948 real_cost = -91.600 FAMSD_TS2 costs 467.544 real_cost = -98.463 FAMSD_TS1-scwrl costs 394.443 real_cost = -114.802 FAMSD_TS1 costs 396.457 real_cost = -103.425 Distill_TS5-scwrl costs 2397.466 real_cost = 290.646 Distill_TS4-scwrl costs 2405.602 real_cost = 297.976 Distill_TS3-scwrl costs 2408.931 real_cost = 293.519 Distill_TS2-scwrl costs 2401.937 real_cost = 291.240 Distill_TS1-scwrl costs 2406.307 real_cost = 289.345 CaspIta-FOX_TS5-scwrl costs 508.531 real_cost = -105.579 CaspIta-FOX_TS5 costs 489.566 real_cost = -103.604 CaspIta-FOX_TS4-scwrl costs 438.009 real_cost = -130.178 CaspIta-FOX_TS4 costs 426.723 real_cost = -128.425 CaspIta-FOX_TS3-scwrl costs 426.054 real_cost = -104.044 CaspIta-FOX_TS3 costs 420.911 real_cost = -108.045 CaspIta-FOX_TS2-scwrl costs 575.173 real_cost = -63.112 CaspIta-FOX_TS2 costs 551.140 real_cost = -60.843 CaspIta-FOX_TS1-scwrl costs 499.144 real_cost = -114.882 CaspIta-FOX_TS1 costs 464.101 real_cost = -117.442 CPHmodels_TS1-scwrl costs 572.884 real_cost = -57.872 CPHmodels_TS1 costs 558.506 real_cost = -49.460 CIRCLE_TS5-scwrl costs 451.819 real_cost = -108.490 CIRCLE_TS5 costs 444.047 real_cost = -105.336 CIRCLE_TS4-scwrl costs 483.221 real_cost = -50.438 CIRCLE_TS4 costs 466.220 real_cost = -51.581 CIRCLE_TS3-scwrl costs 448.613 real_cost = -102.377 CIRCLE_TS3 costs 426.685 real_cost = -103.250 CIRCLE_TS2-scwrl costs 392.066 real_cost = -145.462 CIRCLE_TS2 costs 401.732 real_cost = -137.272 CIRCLE_TS1-scwrl costs 396.400 real_cost = -146.794 CIRCLE_TS1 costs 404.530 real_cost = -138.671 Bilab-ENABLE_TS5-scwrl costs 481.702 real_cost = -39.982 Bilab-ENABLE_TS5 costs 482.825 real_cost = -39.639 Bilab-ENABLE_TS4-scwrl costs 391.713 real_cost = -55.785 Bilab-ENABLE_TS4 costs 390.659 real_cost = -55.809 Bilab-ENABLE_TS3-scwrl costs 390.233 real_cost = -140.229 Bilab-ENABLE_TS3 costs 388.653 real_cost = -141.130 Bilab-ENABLE_TS2-scwrl costs 384.683 real_cost = -67.234 Bilab-ENABLE_TS2 costs 384.683 real_cost = -67.234 Bilab-ENABLE_TS1-scwrl costs 356.712 real_cost = -122.715 Bilab-ENABLE_TS1 costs 356.783 real_cost = -122.828 BayesHH_TS1-scwrl costs 368.560 real_cost = -138.736 BayesHH_TS1 costs 380.306 real_cost = -136.640 ABIpro_TS5-scwrl costs 540.165 real_cost = 259.950 ABIpro_TS5 costs 541.098 real_cost = 262.096 ABIpro_TS4-scwrl costs 537.426 real_cost = 228.943 ABIpro_TS4 costs 537.426 real_cost = 228.943 ABIpro_TS3-scwrl costs 534.432 real_cost = 267.883 ABIpro_TS3 costs 534.649 real_cost = 267.912 ABIpro_TS2-scwrl costs 501.983 real_cost = 215.909 ABIpro_TS2 costs 501.567 real_cost = 215.949 ABIpro_TS1-scwrl costs 481.637 real_cost = 265.079 ABIpro_TS1 costs 481.874 real_cost = 265.076 3Dpro_TS5-scwrl costs 397.804 real_cost = -56.180 3Dpro_TS5 costs 405.597 real_cost = -59.867 3Dpro_TS4-scwrl costs 400.167 real_cost = -84.231 3Dpro_TS4 costs 397.794 real_cost = -77.738 3Dpro_TS3-scwrl costs 397.651 real_cost = -91.574 3Dpro_TS3 costs 406.060 real_cost = -82.148 3Dpro_TS2-scwrl costs 383.794 real_cost = -128.152 3Dpro_TS2 costs 388.829 real_cost = -128.623 3Dpro_TS1-scwrl costs 372.548 real_cost = -136.164 3Dpro_TS1 costs 380.873 real_cost = -140.554 3D-JIGSAW_TS5-scwrl costs 596.488 real_cost = -53.799 3D-JIGSAW_TS5 costs 583.978 real_cost = -47.422 3D-JIGSAW_TS4-scwrl costs 601.223 real_cost = -33.948 3D-JIGSAW_TS4 costs 587.915 real_cost = -35.369 3D-JIGSAW_TS3-scwrl costs 597.754 real_cost = -50.244 3D-JIGSAW_TS3 costs 580.489 real_cost = -55.688 3D-JIGSAW_TS2-scwrl costs 634.986 real_cost = -27.652 3D-JIGSAW_TS2 costs 624.959 real_cost = -27.036 3D-JIGSAW_TS1-scwrl costs 623.190 real_cost = 52.822 3D-JIGSAW_TS1 costs 614.218 real_cost = 60.433 3D-JIGSAW_RECOM_TS5-scwrl costs 650.628 real_cost = -28.889 3D-JIGSAW_RECOM_TS5 costs 638.231 real_cost = -29.841 3D-JIGSAW_RECOM_TS4-scwrl costs 650.798 real_cost = -6.549 3D-JIGSAW_RECOM_TS4 costs 634.881 real_cost = -15.772 3D-JIGSAW_RECOM_TS3-scwrl costs 559.566 real_cost = -70.960 3D-JIGSAW_RECOM_TS3 costs 546.743 real_cost = -68.248 3D-JIGSAW_RECOM_TS2-scwrl costs 562.881 real_cost = -72.178 3D-JIGSAW_RECOM_TS2 costs 546.592 real_cost = -70.354 3D-JIGSAW_RECOM_TS1-scwrl costs 658.758 real_cost = -23.494 3D-JIGSAW_RECOM_TS1 costs 645.044 real_cost = -31.879 3D-JIGSAW_POPULUS_TS5-scwrl costs 665.010 real_cost = -40.217 3D-JIGSAW_POPULUS_TS5 costs 651.639 real_cost = -49.450 3D-JIGSAW_POPULUS_TS4-scwrl costs 605.141 real_cost = 7.312 3D-JIGSAW_POPULUS_TS4 costs 584.098 real_cost = 1.744 3D-JIGSAW_POPULUS_TS3-scwrl costs 578.400 real_cost = -54.661 3D-JIGSAW_POPULUS_TS3 costs 560.581 real_cost = -66.158 3D-JIGSAW_POPULUS_TS2-scwrl costs 462.785 real_cost = -100.592 3D-JIGSAW_POPULUS_TS2 costs 444.468 real_cost = -101.559 3D-JIGSAW_POPULUS_TS1-scwrl costs 496.252 real_cost = -87.421 3D-JIGSAW_POPULUS_TS1 costs 482.706 real_cost = -90.896 dimer//dimer-tr362-1s5uA costs 350.492 real_cost = -190.128 dimer//dimer-from-try2-opt2 costs 320.259 real_cost = -151.081 dimer//dimer-from-try2-opt2-template-1s5uA costs 320.217 real_cost = -151.311 dimer//dimer-from-try2-opt2-template-1s5uA-take2 costs 320.217 real_cost = -151.311 dimer//try9-opt2.unpack costs 473.537 real_cost = 301.730 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 480.541 real_cost = 304.555 dimer//try9-opt2.unpack.gromacs0 costs 478.692 real_cost = 300.569 dimer//try9-opt2.repack-nonPC costs 475.541 real_cost = 304.292 dimer//try9-opt2 costs 473.537 real_cost = 301.730 dimer//try9-opt1 costs 482.951 real_cost = 299.314 dimer//try9-opt1-scwrl costs 483.103 real_cost = 297.868 dimer//try7-opt2.unpack costs 441.980 real_cost = 167.767 dimer//try7-opt2.repack-nonPC costs 443.656 real_cost = 169.517 dimer//try7-opt2 costs 441.980 real_cost = 167.767 dimer//try7-opt1 costs 466.915 real_cost = 170.998 dimer//try7-opt1-scwrl costs 470.473 real_cost = 168.896 dimer//try6-opt2.unpack costs 321.718 real_cost = -151.964 dimer//try6-opt2.unpack.gromacs0 costs 331.274 real_cost = -151.125 dimer//try6-opt2 costs 321.718 real_cost = -151.964 dimer//try6-opt1 costs 323.871 real_cost = -152.473 dimer//try6-opt1-scwrl costs 329.247 real_cost = -155.478 dimer//try5-opt2.unpack costs 332.047 real_cost = -130.972 dimer//try5-opt2.unpack.gromacs0 costs 340.974 real_cost = -123.747 dimer//try5-opt2 costs 362.665 real_cost = -43.458 dimer//try5-opt1 costs 365.800 real_cost = -38.401 dimer//try5-opt1-scwrl costs 370.242 real_cost = -37.981 dimer//try4-opt2 costs 445.518 real_cost = 158.141 dimer//try4-opt2.gromacs0 costs 449.127 real_cost = 161.549 dimer//try4-opt1 costs 451.454 real_cost = 160.956 dimer//try4-opt1-scwrl costs 452.264 real_cost = 160.912 dimer//try22-opt2.unpack costs 336.692 real_cost = -184.807 dimer//try22-opt2.unpack.gromacs0.repack-nonPC costs 347.693 real_cost = -187.569 dimer//try22-opt2.unpack.gromacs0 costs 344.168 real_cost = -183.681 dimer//try22-opt2.repack-nonPC costs 341.090 real_cost = -186.141 dimer//try22-opt2 costs 336.692 real_cost = -184.807 dimer//try22-opt1 costs 339.318 real_cost = -184.764 dimer//try22-opt1-scwrl costs 344.321 real_cost = -191.321 dimer//try21-opt2.unpack costs 336.857 real_cost = -190.491 dimer//try21-opt2.unpack.gromacs0.repack-nonPC costs 350.526 real_cost = -184.560 dimer//try21-opt2.unpack.gromacs0 costs 346.760 real_cost = -185.220 dimer//try21-opt2.repack-nonPC costs 340.217 real_cost = -191.932 dimer//try21-opt2 costs 336.857 real_cost = -190.491 dimer//try21-opt1 costs 340.933 real_cost = -190.889 dimer//try21-opt1-scwrl costs 346.131 real_cost = -193.718 dimer//try20-opt2.unpack costs 335.137 real_cost = -183.249 dimer//try20-opt2.unpack.gromacs0.repack-nonPC costs 349.675 real_cost = -186.274 dimer//try20-opt2.unpack.gromacs0 costs 348.021 real_cost = -182.555 dimer//try20-opt2.repack-nonPC costs 335.613 real_cost = -183.164 dimer//try20-opt2 costs 335.137 real_cost = -183.249 dimer//try20-opt1 costs 339.188 real_cost = -186.649 dimer//try20-opt1-scwrl costs 343.672 real_cost = -186.057 dimer//try2-opt2 costs 418.301 real_cost = 131.658 dimer//try2-opt2.gromacs0 costs 423.495 real_cost = 136.816 dimer//try2-opt1 costs 425.666 real_cost = 136.414 dimer//try2-opt1-scwrl costs 426.538 real_cost = 137.783 dimer//try19-opt2.unpack costs 335.273 real_cost = -190.909 dimer//try19-opt2.unpack.gromacs0.repack-nonPC costs 350.000 real_cost = -185.715 dimer//try19-opt2.unpack.gromacs0 costs 345.546 real_cost = -187.806 dimer//try19-opt2.repack-nonPC costs 341.183 real_cost = -193.166 dimer//try19-opt2 costs 335.273 real_cost = -190.909 dimer//try19-opt1 costs 337.998 real_cost = -189.230 dimer//try19-opt1-scwrl costs 346.875 real_cost = -192.359 dimer//try18-opt2.unpack costs 340.912 real_cost = -189.987 dimer//try18-opt2.unpack.gromacs0.repack-nonPC costs 350.767 real_cost = -187.418 dimer//try18-opt2.unpack.gromacs0 costs 346.957 real_cost = -188.278 dimer//try18-opt2.repack-nonPC costs 343.950 real_cost = -194.262 dimer//try18-opt2 costs 340.912 real_cost = -189.987 dimer//try18-opt1 costs 345.659 real_cost = -194.345 dimer//try18-opt1-scwrl costs 351.913 real_cost = -194.988 dimer//try17-opt2.unpack costs 340.913 real_cost = -194.618 dimer//try17-opt2.unpack.gromacs0.repack-nonPC costs 351.709 real_cost = -184.020 dimer//try17-opt2.unpack.gromacs0 costs 348.396 real_cost = -188.075 dimer//try17-opt2.repack-nonPC costs 344.347 real_cost = -194.594 dimer//try17-opt2 costs 340.913 real_cost = -194.618 dimer//try17-opt1 costs 345.250 real_cost = -192.315 dimer//try17-opt1-scwrl costs 351.040 real_cost = -191.971 dimer//try16-opt2.unpack costs 324.427 real_cost = -146.612 dimer//try16-opt2.unpack.gromacs0.repack-nonPC costs 334.313 real_cost = -145.805 dimer//try16-opt2.unpack.gromacs0 costs 331.436 real_cost = -148.318 dimer//try16-opt2.repack-nonPC costs 326.582 real_cost = -147.756 dimer//try16-opt2 costs 324.427 real_cost = -146.612 dimer//try16-opt1 costs 327.455 real_cost = -145.234 dimer//try16-opt1-scwrl costs 333.598 real_cost = -153.163 dimer//try15-opt2.unpack costs 321.337 real_cost = -148.622 dimer//try15-opt2.unpack.gromacs0.repack-nonPC costs 333.822 real_cost = -149.834 dimer//try15-opt2.unpack.gromacs0 costs 332.382 real_cost = -146.257 dimer//try15-opt2.repack-nonPC costs 324.904 real_cost = -153.805 dimer//try15-opt2 costs 321.337 real_cost = -148.622 dimer//try15-opt1 costs 323.106 real_cost = -149.549 dimer//try15-opt1-scwrl costs 328.482 real_cost = -155.910 dimer//try14-opt2.unpack costs 317.722 real_cost = -149.331 dimer//try14-opt2.unpack.gromacs0.repack-nonPC costs 332.158 real_cost = -150.225 dimer//try14-opt2.unpack.gromacs0 costs 328.690 real_cost = -147.679 dimer//try14-opt2.repack-nonPC costs 321.242 real_cost = -153.973 dimer//try14-opt2 costs 317.722 real_cost = -149.331 dimer//try14-opt1 costs 318.753 real_cost = -149.103 dimer//try14-opt1-scwrl costs 326.265 real_cost = -154.948 dimer//try13-opt2.unpack costs 319.975 real_cost = -153.310 dimer//try13-opt2.unpack.gromacs0.repack-nonPC costs 333.390 real_cost = -152.149 dimer//try13-opt2.unpack.gromacs0 costs 331.467 real_cost = -149.876 dimer//try13-opt2.repack-nonPC costs 324.013 real_cost = -153.679 dimer//try13-opt2 costs 319.975 real_cost = -153.310 dimer//try13-opt1 costs 322.423 real_cost = -152.235 dimer//try13-opt1-scwrl costs 328.914 real_cost = -154.494 dimer//try12-opt2.unpack costs 318.996 real_cost = -148.499 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 332.169 real_cost = -151.842 dimer//try12-opt2.unpack.gromacs0 costs 329.500 real_cost = -148.394 dimer//try12-opt2.repack-nonPC costs 322.731 real_cost = -149.225 dimer//try12-opt2 costs 318.996 real_cost = -148.499 dimer//try12-opt1 costs 320.925 real_cost = -149.186 dimer//try12-opt1-scwrl costs 328.238 real_cost = -153.792 dimer//try11-opt2.unpack costs 477.753 real_cost = 305.450 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 488.782 real_cost = 310.810 dimer//try11-opt2.unpack.gromacs0 costs 487.497 real_cost = 306.214 dimer//try11-opt2.repack-nonPC costs 481.365 real_cost = 305.688 dimer//try11-opt2 costs 477.753 real_cost = 305.450 dimer//try11-opt1 costs 491.034 real_cost = 308.511 dimer//try11-opt1-scwrl costs 489.504 real_cost = 308.083 dimer//try10-opt2.unpack costs 477.518 real_cost = 286.578 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 484.447 real_cost = 289.370 dimer//try10-opt2.unpack.gromacs0 costs 484.507 real_cost = 290.183 dimer//try10-opt2.repack-nonPC costs 478.606 real_cost = 285.199 dimer//try10-opt2 costs 477.518 real_cost = 286.578 dimer//try10-opt1 costs 485.880 real_cost = 287.006 dimer//try10-opt1-scwrl costs 485.222 real_cost = 288.086 4mer//4mer-from-try2-opt2-template-1s5uA costs 320.217 real_cost = -151.311 tr362.repack-nonPC.pdb.gz costs 350.497 real_cost = -190.163 tr362.pdb.gz costs 351.635 real_cost = -187.050 tr362.gromacs0.repack-nonPC.pdb.gz costs 354.555 real_cost = -182.480 tr362.gromacs0.pdb.gz costs 354.105 real_cost = -183.465 T0362.try2-opt2.repack-nonPC.pdb.gz costs 323.046 real_cost = -147.504 T0362.try2-opt2.pdb.gz costs 320.210 real_cost = -150.589 T0362.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 332.850 real_cost = -148.558 T0362.try2-opt2.gromacs0.pdb.gz costs 331.084 real_cost = -148.964 T0362.try2-opt1.pdb.gz costs 330.599 real_cost = -153.541 T0362.try2-opt1-scwrl.pdb.gz costs 334.944 real_cost = -155.990 T0362.try1-opt2.repack-nonPC.pdb.gz costs 327.858 real_cost = -131.933 T0362.try1-opt2.pdb.gz costs 325.031 real_cost = -128.181 T0362.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 334.523 real_cost = -133.905 T0362.try1-opt2.gromacs0.pdb.gz costs 332.274 real_cost = -130.860 T0362.try1-opt1.pdb.gz costs 332.137 real_cost = -121.102 T0362.try1-opt1-scwrl.pdb.gz costs 334.116 real_cost = -126.190 ../refine.model5.ts-submitted costs 340.908 real_cost = -190.214 ../refine.model4.ts-submitted costs 335.275 real_cost = -190.782 ../refine.model3.ts-submitted costs 335.031 real_cost = -183.083 ../refine.model2.ts-submitted costs 350.519 real_cost = -184.388 ../refine.model1.ts-submitted costs 336.886 real_cost = -184.770 ../model5.ts-submitted costs 511.523 real_cost = -119.780 ../model4.ts-submitted costs 334.643 real_cost = -133.982 ../model3.ts-submitted costs 320.288 real_cost = -150.372 ../model2.ts-submitted costs 317.719 real_cost = -149.551 ../model1.ts-submitted costs 334.317 real_cost = -145.767 align5 costs 935.916 real_cost = -79.976 align4 costs 785.910 real_cost = -115.039 align3 costs 697.119 real_cost = -138.582 align2 costs 864.730 real_cost = -68.386 align1 costs 600.255 real_cost = -111.823 T0362.try1-opt2.pdb costs 325.031 real_cost = -128.181 model5-scwrl costs 548.174 real_cost = -124.539 model5.ts-submitted costs 511.523 real_cost = -119.780 model4-scwrl costs 336.347 real_cost = -133.543 model4.ts-submitted costs 334.643 real_cost = -133.982 model3-scwrl costs 324.839 real_cost = -151.140 model3.ts-submitted costs 320.288 real_cost = -150.372 model2-scwrl costs 323.427 real_cost = -153.845 model2.ts-submitted costs 317.719 real_cost = -149.551 model1-scwrl costs 335.833 real_cost = -148.556 model1.ts-submitted costs 334.317 real_cost = -145.760 2hx5A costs 392.707 real_cost = -885.000 # command:CPU_time= 611.753 sec, elapsed time= 4215.601 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/T0362'