make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0350' 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/T0350.} ;\ 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/T0350/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hc5A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1173975935 # 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= 7.02193 sec, elapsed time= 14.2405 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= 7.10092 sec, elapsed time= 14.4267 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0350 numbered 1 through 117 Created new target T0350 from T0350.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file predburial.costfcn # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-near-backbone-2spot.hist # created burial cost function nb11 with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 5 alphabets from two-spot-burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_nb11_2k # created predicted BurialPredCostFcn pred_nb11_2k_simple # created predicted BurialPredCostFcn pred_nb11_04 # created predicted BurialPredCostFcn pred_nb11_04_simple # created predicted BurialPredCostFcn pred_nb11_06 # created predicted BurialPredCostFcn pred_nb11_06_simple # reading predictions from T0350.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 T0350.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 T0350.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= 12.1482 sec, elapsed time= 25.3696 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 106 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -31.1404 # GDT_score(maxd=8,maxw=2.9)= -31.0357 # GDT_score(maxd=8,maxw=3.2)= -29.2938 # GDT_score(maxd=8,maxw=3.5)= -27.8355 # GDT_score(maxd=10,maxw=3.8)= -30.4069 # GDT_score(maxd=10,maxw=4)= -29.481 # GDT_score(maxd=10,maxw=4.2)= -28.5784 # GDT_score(maxd=12,maxw=4.3)= -31.3825 # GDT_score(maxd=12,maxw=4.5)= -30.4556 # GDT_score(maxd=12,maxw=4.7)= -29.5938 # GDT_score(maxd=14,maxw=5.2)= -30.5475 # GDT_score(maxd=14,maxw=5.5)= -29.3052 # 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 26.711 6.914 -24.073 1.00 0.00 ATOM 2 CA MET A 1 25.826 7.116 -25.247 1.00 0.00 ATOM 3 CB MET A 1 26.416 6.433 -26.465 1.00 0.00 ATOM 4 CG MET A 1 25.510 6.466 -27.681 1.00 0.00 ATOM 5 SD MET A 1 26.507 6.431 -29.167 1.00 0.00 ATOM 6 CE MET A 1 25.269 6.958 -30.458 1.00 0.00 ATOM 7 O MET A 1 24.490 5.346 -24.391 1.00 0.00 ATOM 8 C MET A 1 24.494 6.468 -24.921 1.00 0.00 ATOM 9 N ASN A 2 23.380 7.142 -25.216 1.00 0.00 ATOM 10 CA ASN A 2 22.058 6.599 -24.914 1.00 0.00 ATOM 11 CB ASN A 2 20.971 7.616 -25.269 1.00 0.00 ATOM 12 CG ASN A 2 20.938 8.792 -24.313 1.00 0.00 ATOM 13 ND2 ASN A 2 20.355 9.898 -24.756 1.00 0.00 ATOM 14 OD1 ASN A 2 21.434 8.705 -23.189 1.00 0.00 ATOM 15 O ASN A 2 21.356 4.296 -25.256 1.00 0.00 ATOM 16 C ASN A 2 21.827 5.327 -25.752 1.00 0.00 ATOM 17 N ILE A 3 22.141 5.390 -27.019 1.00 0.00 ATOM 18 CA ILE A 3 21.971 4.244 -27.906 1.00 0.00 ATOM 19 CB ILE A 3 22.344 4.606 -29.356 1.00 0.00 ATOM 20 CG1 ILE A 3 21.345 5.614 -29.927 1.00 0.00 ATOM 21 CG2 ILE A 3 22.333 3.365 -30.234 1.00 0.00 ATOM 22 CD1 ILE A 3 21.778 6.225 -31.242 1.00 0.00 ATOM 23 O ILE A 3 22.363 1.915 -27.517 1.00 0.00 ATOM 24 C ILE A 3 22.833 3.056 -27.511 1.00 0.00 ATOM 25 N GLU A 4 24.168 3.320 -27.220 1.00 0.00 ATOM 26 CA GLU A 4 25.121 2.314 -26.759 1.00 0.00 ATOM 27 CB GLU A 4 26.480 2.955 -26.470 1.00 0.00 ATOM 28 CG GLU A 4 27.230 3.409 -27.712 1.00 0.00 ATOM 29 CD GLU A 4 28.511 4.147 -27.381 1.00 0.00 ATOM 30 OE1 GLU A 4 28.776 4.371 -26.180 1.00 0.00 ATOM 31 OE2 GLU A 4 29.251 4.505 -28.321 1.00 0.00 ATOM 32 O GLU A 4 24.634 0.462 -25.300 1.00 0.00 ATOM 33 C GLU A 4 24.574 1.680 -25.482 1.00 0.00 ATOM 34 N ARG A 5 24.023 2.510 -24.601 1.00 0.00 ATOM 35 CA ARG A 5 23.453 2.003 -23.361 1.00 0.00 ATOM 36 CB ARG A 5 22.998 3.118 -22.484 1.00 0.00 ATOM 37 CG ARG A 5 22.321 2.665 -21.218 1.00 0.00 ATOM 38 CD ARG A 5 21.688 3.851 -20.522 1.00 0.00 ATOM 39 NE ARG A 5 20.543 4.354 -21.309 1.00 0.00 ATOM 40 CZ ARG A 5 20.032 5.553 -21.270 1.00 0.00 ATOM 41 NH1 ARG A 5 20.515 6.529 -20.518 1.00 0.00 ATOM 42 NH2 ARG A 5 18.973 5.867 -22.068 1.00 0.00 ATOM 43 O ARG A 5 22.163 -0.024 -23.177 1.00 0.00 ATOM 44 C ARG A 5 22.279 1.077 -23.715 1.00 0.00 ATOM 45 N LEU A 6 21.337 1.510 -24.655 1.00 0.00 ATOM 46 CA LEU A 6 20.176 0.741 -25.091 1.00 0.00 ATOM 47 CB LEU A 6 19.364 1.533 -26.118 1.00 0.00 ATOM 48 CG LEU A 6 18.629 2.769 -25.591 1.00 0.00 ATOM 49 CD1 LEU A 6 18.016 3.557 -26.738 1.00 0.00 ATOM 50 CD2 LEU A 6 17.514 2.367 -24.638 1.00 0.00 ATOM 51 O LEU A 6 19.872 -1.590 -25.588 1.00 0.00 ATOM 52 C LEU A 6 20.559 -0.587 -25.752 1.00 0.00 ATOM 53 N THR A 7 21.653 -0.590 -26.491 1.00 0.00 ATOM 54 CA THR A 7 22.133 -1.795 -27.174 1.00 0.00 ATOM 55 CB THR A 7 23.356 -1.464 -28.064 1.00 0.00 ATOM 56 CG2 THR A 7 23.904 -2.703 -28.773 1.00 0.00 ATOM 57 OG1 THR A 7 22.964 -0.493 -29.041 1.00 0.00 ATOM 58 O THR A 7 22.021 -4.035 -26.334 1.00 0.00 ATOM 59 C THR A 7 22.447 -2.897 -26.165 1.00 0.00 ATOM 60 N THR A 8 23.169 -2.547 -25.107 1.00 0.00 ATOM 61 CA THR A 8 23.516 -3.513 -24.056 1.00 0.00 ATOM 62 CB THR A 8 24.494 -2.868 -23.088 1.00 0.00 ATOM 63 CG2 THR A 8 24.893 -3.835 -21.969 1.00 0.00 ATOM 64 OG1 THR A 8 25.722 -2.490 -23.772 1.00 0.00 ATOM 65 O THR A 8 22.076 -5.169 -23.010 1.00 0.00 ATOM 66 C THR A 8 22.240 -3.994 -23.322 1.00 0.00 ATOM 67 N LEU A 9 21.301 -3.019 -22.986 1.00 0.00 ATOM 68 CA LEU A 9 20.078 -3.328 -22.275 1.00 0.00 ATOM 69 CB LEU A 9 19.457 -2.033 -21.755 1.00 0.00 ATOM 70 CG LEU A 9 20.276 -1.330 -20.682 1.00 0.00 ATOM 71 CD1 LEU A 9 19.617 -0.042 -20.341 1.00 0.00 ATOM 72 CD2 LEU A 9 20.381 -2.201 -19.457 1.00 0.00 ATOM 73 O LEU A 9 18.103 -4.665 -22.469 1.00 0.00 ATOM 74 C LEU A 9 18.969 -4.027 -23.067 1.00 0.00 ATOM 75 N GLN A 10 19.012 -3.950 -24.393 1.00 0.00 ATOM 76 CA GLN A 10 17.924 -4.492 -25.223 1.00 0.00 ATOM 77 CB GLN A 10 18.173 -4.179 -26.708 1.00 0.00 ATOM 78 CG GLN A 10 17.907 -2.752 -27.061 1.00 0.00 ATOM 79 CD GLN A 10 18.198 -2.415 -28.473 1.00 0.00 ATOM 80 OE1 GLN A 10 18.840 -3.206 -29.199 1.00 0.00 ATOM 81 NE2 GLN A 10 17.763 -1.209 -28.898 1.00 0.00 ATOM 82 O GLN A 10 16.579 -6.419 -24.808 1.00 0.00 ATOM 83 C GLN A 10 17.719 -5.991 -25.012 1.00 0.00 ATOM 84 N PRO A 11 18.777 -6.844 -25.055 1.00 0.00 ATOM 85 CA PRO A 11 18.535 -8.259 -24.816 1.00 0.00 ATOM 86 CB PRO A 11 19.930 -8.907 -25.013 1.00 0.00 ATOM 87 CG PRO A 11 20.962 -7.813 -24.930 1.00 0.00 ATOM 88 CD PRO A 11 20.201 -6.586 -25.378 1.00 0.00 ATOM 89 O PRO A 11 17.039 -9.347 -23.357 1.00 0.00 ATOM 90 C PRO A 11 17.925 -8.526 -23.438 1.00 0.00 ATOM 91 N VAL A 12 18.377 -7.860 -22.297 1.00 0.00 ATOM 92 CA VAL A 12 17.795 -8.042 -20.962 1.00 0.00 ATOM 93 CB VAL A 12 18.599 -7.243 -19.878 1.00 0.00 ATOM 94 CG1 VAL A 12 17.923 -7.363 -18.512 1.00 0.00 ATOM 95 CG2 VAL A 12 20.021 -7.775 -19.791 1.00 0.00 ATOM 96 O VAL A 12 15.460 -8.291 -20.473 1.00 0.00 ATOM 97 C VAL A 12 16.334 -7.589 -20.977 1.00 0.00 ATOM 98 N TRP A 13 16.053 -6.428 -21.582 1.00 0.00 ATOM 99 CA TRP A 13 14.676 -5.951 -21.654 1.00 0.00 ATOM 100 CB TRP A 13 14.640 -4.523 -22.202 1.00 0.00 ATOM 101 CG TRP A 13 15.228 -3.508 -21.271 1.00 0.00 ATOM 102 CD1 TRP A 13 15.617 -3.709 -19.977 1.00 0.00 ATOM 103 CD2 TRP A 13 15.498 -2.131 -21.561 1.00 0.00 ATOM 104 CE2 TRP A 13 16.048 -1.559 -20.397 1.00 0.00 ATOM 105 CE3 TRP A 13 15.328 -1.326 -22.692 1.00 0.00 ATOM 106 NE1 TRP A 13 16.111 -2.543 -19.443 1.00 0.00 ATOM 107 CZ2 TRP A 13 16.428 -0.220 -20.331 1.00 0.00 ATOM 108 CZ3 TRP A 13 15.707 0.003 -22.621 1.00 0.00 ATOM 109 CH2 TRP A 13 16.251 0.544 -21.452 1.00 0.00 ATOM 110 O TRP A 13 12.670 -7.069 -22.253 1.00 0.00 ATOM 111 C TRP A 13 13.834 -6.837 -22.549 1.00 0.00 ATOM 112 N ASP A 14 14.503 -7.549 -23.558 1.00 0.00 ATOM 113 CA ASP A 14 13.797 -8.448 -24.450 1.00 0.00 ATOM 114 CB ASP A 14 14.639 -8.755 -25.691 1.00 0.00 ATOM 115 CG ASP A 14 14.765 -7.564 -26.620 1.00 0.00 ATOM 116 OD1 ASP A 14 14.009 -6.585 -26.436 1.00 0.00 ATOM 117 OD2 ASP A 14 15.618 -7.607 -27.529 1.00 0.00 ATOM 118 O ASP A 14 12.324 -10.268 -23.963 1.00 0.00 ATOM 119 C ASP A 14 13.440 -9.760 -23.772 1.00 0.00 ATOM 120 N ARG A 15 14.363 -10.329 -22.988 1.00 0.00 ATOM 121 CA ARG A 15 14.080 -11.589 -22.283 1.00 0.00 ATOM 122 CB ARG A 15 15.365 -12.162 -21.682 1.00 0.00 ATOM 123 CG ARG A 15 16.411 -12.507 -22.777 1.00 0.00 ATOM 124 CD ARG A 15 17.629 -13.297 -22.223 1.00 0.00 ATOM 125 NE ARG A 15 18.351 -12.524 -21.203 1.00 0.00 ATOM 126 CZ ARG A 15 19.339 -11.631 -21.420 1.00 0.00 ATOM 127 NH1 ARG A 15 19.797 -11.402 -22.639 1.00 0.00 ATOM 128 NH2 ARG A 15 19.842 -10.981 -20.384 1.00 0.00 ATOM 129 O ARG A 15 12.169 -12.261 -21.042 1.00 0.00 ATOM 130 C ARG A 15 12.994 -11.383 -21.244 1.00 0.00 ATOM 131 N TYR A 16 12.957 -10.220 -20.585 1.00 0.00 ATOM 132 CA TYR A 16 11.862 -9.892 -19.682 1.00 0.00 ATOM 133 CB TYR A 16 12.241 -8.531 -18.935 1.00 0.00 ATOM 134 CG TYR A 16 13.039 -8.637 -17.673 1.00 0.00 ATOM 135 CD1 TYR A 16 13.006 -9.750 -16.828 1.00 0.00 ATOM 136 CD2 TYR A 16 13.791 -7.568 -17.208 1.00 0.00 ATOM 137 CE1 TYR A 16 13.719 -9.776 -15.623 1.00 0.00 ATOM 138 CE2 TYR A 16 14.497 -7.552 -15.999 1.00 0.00 ATOM 139 CZ TYR A 16 14.443 -8.671 -15.176 1.00 0.00 ATOM 140 OH TYR A 16 15.127 -8.690 -13.979 1.00 0.00 ATOM 141 O TYR A 16 9.517 -10.293 -19.969 1.00 0.00 ATOM 142 C TYR A 16 10.546 -9.825 -20.450 1.00 0.00 ATOM 143 N ASP A 17 10.585 -9.243 -21.645 1.00 0.00 ATOM 144 CA ASP A 17 9.393 -9.120 -22.480 1.00 0.00 ATOM 145 CB ASP A 17 9.696 -8.268 -23.713 1.00 0.00 ATOM 146 CG ASP A 17 8.456 -7.973 -24.537 1.00 0.00 ATOM 147 OD1 ASP A 17 7.531 -7.324 -24.004 1.00 0.00 ATOM 148 OD2 ASP A 17 8.412 -8.391 -25.712 1.00 0.00 ATOM 149 O ASP A 17 7.676 -10.794 -22.764 1.00 0.00 ATOM 150 C ASP A 17 8.884 -10.513 -22.882 1.00 0.00 ATOM 151 N THR A 18 9.818 -11.369 -23.329 1.00 0.00 ATOM 152 CA THR A 18 9.471 -12.714 -23.727 1.00 0.00 ATOM 153 CB THR A 18 10.708 -13.496 -24.211 1.00 0.00 ATOM 154 CG2 THR A 18 10.318 -14.907 -24.625 1.00 0.00 ATOM 155 OG1 THR A 18 11.291 -12.826 -25.335 1.00 0.00 ATOM 156 O THR A 18 7.939 -14.282 -22.754 1.00 0.00 ATOM 157 C THR A 18 8.866 -13.496 -22.564 1.00 0.00 ATOM 158 N GLN A 19 9.389 -13.286 -21.357 1.00 0.00 ATOM 159 CA GLN A 19 8.876 -13.995 -20.192 1.00 0.00 ATOM 160 CB GLN A 19 9.774 -13.792 -18.970 1.00 0.00 ATOM 161 CG GLN A 19 11.124 -14.484 -19.070 1.00 0.00 ATOM 162 CD GLN A 19 12.027 -14.171 -17.894 1.00 0.00 ATOM 163 OE1 GLN A 19 11.689 -13.349 -17.040 1.00 0.00 ATOM 164 NE2 GLN A 19 13.182 -14.824 -17.844 1.00 0.00 ATOM 165 O GLN A 19 6.578 -14.304 -19.568 1.00 0.00 ATOM 166 C GLN A 19 7.474 -13.501 -19.840 1.00 0.00 ATOM 167 N ILE A 20 7.209 -12.204 -19.884 1.00 0.00 ATOM 168 CA ILE A 20 5.893 -11.637 -19.622 1.00 0.00 ATOM 169 CB ILE A 20 5.921 -10.090 -19.713 1.00 0.00 ATOM 170 CG1 ILE A 20 6.602 -9.518 -18.469 1.00 0.00 ATOM 171 CG2 ILE A 20 4.505 -9.540 -19.854 1.00 0.00 ATOM 172 CD1 ILE A 20 6.815 -8.009 -18.505 1.00 0.00 ATOM 173 O ILE A 20 3.813 -12.624 -20.306 1.00 0.00 ATOM 174 C ILE A 20 4.913 -12.189 -20.651 1.00 0.00 ATOM 175 N HIS A 21 5.331 -12.183 -21.911 1.00 0.00 ATOM 176 CA HIS A 21 4.495 -12.679 -22.993 1.00 0.00 ATOM 177 CB HIS A 21 5.179 -12.439 -24.345 1.00 0.00 ATOM 178 CG HIS A 21 4.441 -13.026 -25.506 1.00 0.00 ATOM 179 CD2 HIS A 21 3.275 -12.664 -26.095 1.00 0.00 ATOM 180 ND1 HIS A 21 4.867 -14.158 -26.164 1.00 0.00 ATOM 181 CE1 HIS A 21 3.997 -14.472 -27.106 1.00 0.00 ATOM 182 NE2 HIS A 21 3.020 -13.582 -27.085 1.00 0.00 ATOM 183 O HIS A 21 3.022 -14.567 -23.007 1.00 0.00 ATOM 184 C HIS A 21 4.169 -14.160 -22.831 1.00 0.00 ATOM 185 N ASN A 22 5.172 -14.969 -22.501 1.00 0.00 ATOM 186 CA ASN A 22 4.930 -16.399 -22.334 1.00 0.00 ATOM 187 CB ASN A 22 6.234 -17.150 -22.034 1.00 0.00 ATOM 188 CG ASN A 22 7.131 -17.276 -23.256 1.00 0.00 ATOM 189 ND2 ASN A 22 8.439 -17.345 -23.028 1.00 0.00 ATOM 190 OD1 ASN A 22 6.651 -17.329 -24.390 1.00 0.00 ATOM 191 O ASN A 22 3.040 -17.516 -21.368 1.00 0.00 ATOM 192 C ASN A 22 3.913 -16.659 -21.227 1.00 0.00 ATOM 193 N GLN A 23 4.017 -15.923 -20.131 1.00 0.00 ATOM 194 CA GLN A 23 3.081 -16.092 -19.020 1.00 0.00 ATOM 195 CB GLN A 23 3.827 -16.075 -17.685 1.00 0.00 ATOM 196 CG GLN A 23 4.891 -17.151 -17.554 1.00 0.00 ATOM 197 CD GLN A 23 4.315 -18.552 -17.630 1.00 0.00 ATOM 198 OE1 GLN A 23 3.317 -18.859 -16.979 1.00 0.00 ATOM 199 NE2 GLN A 23 4.946 -19.407 -18.427 1.00 0.00 ATOM 200 O GLN A 23 1.383 -14.824 -17.886 1.00 0.00 ATOM 201 C GLN A 23 2.029 -14.988 -18.920 1.00 0.00 ATOM 202 N LYS A 24 1.774 -14.151 -20.052 1.00 0.00 ATOM 203 CA LYS A 24 0.795 -13.072 -20.069 1.00 0.00 ATOM 204 CB LYS A 24 0.286 -12.814 -21.459 1.00 0.00 ATOM 205 CG LYS A 24 1.365 -12.282 -22.379 1.00 0.00 ATOM 206 CD LYS A 24 1.800 -10.893 -21.974 1.00 0.00 ATOM 207 CE LYS A 24 2.873 -10.372 -22.916 1.00 0.00 ATOM 208 NZ LYS A 24 3.113 -8.912 -22.724 1.00 0.00 ATOM 209 O LYS A 24 -1.304 -12.791 -18.942 1.00 0.00 ATOM 210 C LYS A 24 -0.616 -13.508 -19.672 1.00 0.00 ATOM 211 N ASP A 25 -1.037 -14.685 -20.119 1.00 0.00 ATOM 212 CA ASP A 25 -2.384 -15.170 -19.815 1.00 0.00 ATOM 213 CB ASP A 25 -3.055 -15.716 -21.077 1.00 0.00 ATOM 214 CG ASP A 25 -2.308 -16.894 -21.671 1.00 0.00 ATOM 215 OD1 ASP A 25 -1.246 -17.264 -21.121 1.00 0.00 ATOM 216 OD2 ASP A 25 -2.781 -17.447 -22.684 1.00 0.00 ATOM 217 O ASP A 25 -3.498 -16.911 -18.611 1.00 0.00 ATOM 218 C ASP A 25 -2.443 -16.313 -18.805 1.00 0.00 ATOM 219 N ASN A 26 -1.326 -16.606 -18.155 1.00 0.00 ATOM 220 CA ASN A 26 -1.277 -17.704 -17.196 1.00 0.00 ATOM 221 CB ASN A 26 0.093 -17.759 -16.516 1.00 0.00 ATOM 222 CG ASN A 26 0.242 -18.959 -15.602 1.00 0.00 ATOM 223 ND2 ASN A 26 0.423 -18.701 -14.312 1.00 0.00 ATOM 224 OD1 ASN A 26 0.195 -20.104 -16.052 1.00 0.00 ATOM 225 O ASN A 26 -2.820 -18.643 -15.621 1.00 0.00 ATOM 226 C ASN A 26 -2.292 -17.619 -16.061 1.00 0.00 ATOM 227 N ASP A 27 -2.565 -16.409 -15.586 1.00 0.00 ATOM 228 CA ASP A 27 -3.483 -16.243 -14.469 1.00 0.00 ATOM 229 CB ASP A 27 -2.981 -15.122 -13.582 1.00 0.00 ATOM 230 CG ASP A 27 -1.656 -15.462 -12.955 1.00 0.00 ATOM 231 OD1 ASP A 27 -1.471 -16.597 -12.465 1.00 0.00 ATOM 232 OD2 ASP A 27 -0.765 -14.601 -12.860 1.00 0.00 ATOM 233 O ASP A 27 -5.766 -15.619 -14.145 1.00 0.00 ATOM 234 C ASP A 27 -4.897 -15.913 -14.955 1.00 0.00 ATOM 235 N ASN A 28 -5.215 -16.010 -16.310 1.00 0.00 ATOM 236 CA ASN A 28 -6.528 -15.679 -16.873 1.00 0.00 ATOM 237 CB ASN A 28 -6.529 -15.603 -18.358 1.00 0.00 ATOM 238 CG ASN A 28 -5.758 -14.404 -18.884 1.00 0.00 ATOM 239 ND2 ASN A 28 -5.501 -14.413 -20.176 1.00 0.00 ATOM 240 OD1 ASN A 28 -5.390 -13.479 -18.132 1.00 0.00 ATOM 241 O ASN A 28 -8.648 -16.409 -15.985 1.00 0.00 ATOM 242 C ASN A 28 -7.523 -16.740 -16.360 1.00 0.00 ATOM 243 N GLU A 29 -7.102 -17.998 -16.319 1.00 0.00 ATOM 244 CA GLU A 29 -7.989 -19.066 -15.849 1.00 0.00 ATOM 245 CB GLU A 29 -7.380 -20.435 -16.015 1.00 0.00 ATOM 246 CG GLU A 29 -8.378 -21.578 -15.933 1.00 0.00 ATOM 247 CD GLU A 29 -9.583 -21.387 -16.838 1.00 0.00 ATOM 248 OE1 GLU A 29 -9.435 -20.819 -17.937 1.00 0.00 ATOM 249 OE2 GLU A 29 -10.674 -21.811 -16.440 1.00 0.00 ATOM 250 O GLU A 29 -9.435 -19.037 -13.937 1.00 0.00 ATOM 251 C GLU A 29 -8.280 -18.952 -14.353 1.00 0.00 ATOM 252 N VAL A 30 -7.268 -18.696 -13.563 1.00 0.00 ATOM 253 CA VAL A 30 -7.469 -18.577 -12.123 1.00 0.00 ATOM 254 CB VAL A 30 -6.126 -18.528 -11.371 1.00 0.00 ATOM 255 CG1 VAL A 30 -6.350 -18.228 -9.898 1.00 0.00 ATOM 256 CG2 VAL A 30 -5.403 -19.864 -11.485 1.00 0.00 ATOM 257 O VAL A 30 -9.125 -17.395 -10.846 1.00 0.00 ATOM 258 C VAL A 30 -8.241 -17.320 -11.695 1.00 0.00 ATOM 259 N PRO A 31 -7.945 -16.184 -12.313 1.00 0.00 ATOM 260 CA PRO A 31 -8.630 -14.944 -11.967 1.00 0.00 ATOM 261 CB PRO A 31 -7.660 -13.848 -12.414 1.00 0.00 ATOM 262 CG PRO A 31 -6.937 -14.438 -13.576 1.00 0.00 ATOM 263 CD PRO A 31 -6.771 -15.900 -13.266 1.00 0.00 ATOM 264 O PRO A 31 -10.711 -13.862 -12.507 1.00 0.00 ATOM 265 C PRO A 31 -9.972 -14.828 -12.693 1.00 0.00 ATOM 266 N VAL A 32 -10.217 -16.022 -13.443 1.00 0.00 ATOM 267 CA VAL A 32 -11.424 -16.069 -14.255 1.00 0.00 ATOM 268 CB VAL A 32 -12.665 -16.393 -13.403 1.00 0.00 ATOM 269 CG1 VAL A 32 -13.877 -16.621 -14.294 1.00 0.00 ATOM 270 CG2 VAL A 32 -12.431 -17.649 -12.578 1.00 0.00 ATOM 271 O VAL A 32 -12.547 -13.988 -14.687 1.00 0.00 ATOM 272 C VAL A 32 -11.535 -14.672 -14.869 1.00 0.00 ATOM 273 N HIS A 33 -10.486 -14.255 -15.581 1.00 0.00 ATOM 274 CA HIS A 33 -10.441 -12.955 -16.265 1.00 0.00 ATOM 275 CB HIS A 33 -9.628 -11.948 -15.449 1.00 0.00 ATOM 276 CG HIS A 33 -9.668 -10.555 -15.995 1.00 0.00 ATOM 277 CD2 HIS A 33 -10.421 -9.344 -15.699 1.00 0.00 ATOM 278 ND1 HIS A 33 -8.863 -10.138 -17.035 1.00 0.00 ATOM 279 CE1 HIS A 33 -9.125 -8.848 -17.300 1.00 0.00 ATOM 280 NE2 HIS A 33 -10.057 -8.364 -16.503 1.00 0.00 ATOM 281 O HIS A 33 -8.752 -14.008 -17.609 1.00 0.00 ATOM 282 C HIS A 33 -9.761 -13.295 -17.581 1.00 0.00 ATOM 283 N GLN A 34 -10.395 -12.872 -18.707 1.00 0.00 ATOM 284 CA GLN A 34 -9.861 -13.072 -20.044 1.00 0.00 ATOM 285 CB GLN A 34 -10.988 -13.038 -21.077 1.00 0.00 ATOM 286 CG GLN A 34 -12.017 -14.143 -20.909 1.00 0.00 ATOM 287 CD GLN A 34 -13.080 -14.118 -21.990 1.00 0.00 ATOM 288 OE1 GLN A 34 -13.171 -13.165 -22.764 1.00 0.00 ATOM 289 NE2 GLN A 34 -13.888 -15.170 -22.048 1.00 0.00 ATOM 290 O GLN A 34 -9.239 -10.905 -20.906 1.00 0.00 ATOM 291 C GLN A 34 -8.881 -11.928 -20.311 1.00 0.00 ATOM 292 N VAL A 35 -7.654 -12.105 -19.836 1.00 0.00 ATOM 293 CA VAL A 35 -6.587 -11.128 -20.010 1.00 0.00 ATOM 294 CB VAL A 35 -5.470 -11.379 -18.990 1.00 0.00 ATOM 295 CG1 VAL A 35 -4.327 -10.419 -19.196 1.00 0.00 ATOM 296 CG2 VAL A 35 -6.031 -11.265 -17.587 1.00 0.00 ATOM 297 O VAL A 35 -5.740 -12.242 -21.931 1.00 0.00 ATOM 298 C VAL A 35 -6.005 -11.169 -21.405 1.00 0.00 ATOM 299 N SER A 36 -5.794 -9.992 -21.987 1.00 0.00 ATOM 300 CA SER A 36 -5.138 -9.898 -23.285 1.00 0.00 ATOM 301 CB SER A 36 -5.635 -8.669 -24.049 1.00 0.00 ATOM 302 OG SER A 36 -7.015 -8.781 -24.354 1.00 0.00 ATOM 303 O SER A 36 -3.326 -9.391 -21.772 1.00 0.00 ATOM 304 C SER A 36 -3.651 -9.789 -22.895 1.00 0.00 ATOM 305 N TYR A 37 -2.740 -9.947 -23.965 1.00 0.00 ATOM 306 CA TYR A 37 -1.310 -9.853 -23.648 1.00 0.00 ATOM 307 CB TYR A 37 -0.466 -10.235 -24.865 1.00 0.00 ATOM 308 CG TYR A 37 -0.558 -11.696 -25.241 1.00 0.00 ATOM 309 CD1 TYR A 37 -1.081 -12.627 -24.354 1.00 0.00 ATOM 310 CD2 TYR A 37 -0.121 -12.141 -26.481 1.00 0.00 ATOM 311 CE1 TYR A 37 -1.170 -13.965 -24.687 1.00 0.00 ATOM 312 CE2 TYR A 37 -0.202 -13.475 -26.833 1.00 0.00 ATOM 313 CZ TYR A 37 -0.732 -14.388 -25.923 1.00 0.00 ATOM 314 OH TYR A 37 -0.819 -15.719 -26.258 1.00 0.00 ATOM 315 O TYR A 37 -0.145 -8.251 -22.285 1.00 0.00 ATOM 316 C TYR A 37 -0.937 -8.453 -23.220 1.00 0.00 ATOM 317 N THR A 38 -1.500 -7.478 -23.854 1.00 0.00 ATOM 318 CA THR A 38 -1.260 -6.082 -23.531 1.00 0.00 ATOM 319 CB THR A 38 -1.868 -5.147 -24.593 1.00 0.00 ATOM 320 CG2 THR A 38 -1.627 -3.693 -24.222 1.00 0.00 ATOM 321 OG1 THR A 38 -1.267 -5.408 -25.867 1.00 0.00 ATOM 322 O THR A 38 -1.228 -4.967 -21.393 1.00 0.00 ATOM 323 C THR A 38 -1.859 -5.683 -22.181 1.00 0.00 ATOM 324 N ASN A 39 -3.075 -6.146 -21.913 1.00 0.00 ATOM 325 CA ASN A 39 -3.739 -5.844 -20.649 1.00 0.00 ATOM 326 CB ASN A 39 -5.147 -6.441 -20.626 1.00 0.00 ATOM 327 CG ASN A 39 -6.112 -5.689 -21.520 1.00 0.00 ATOM 328 ND2 ASN A 39 -7.210 -6.341 -21.887 1.00 0.00 ATOM 329 OD1 ASN A 39 -5.872 -4.536 -21.878 1.00 0.00 ATOM 330 O ASN A 39 -2.829 -5.769 -18.435 1.00 0.00 ATOM 331 C ASN A 39 -2.973 -6.427 -19.467 1.00 0.00 ATOM 332 N LEU A 40 -2.460 -7.657 -19.616 1.00 0.00 ATOM 333 CA LEU A 40 -1.710 -8.299 -18.537 1.00 0.00 ATOM 334 CB LEU A 40 -1.306 -9.720 -18.937 1.00 0.00 ATOM 335 CG LEU A 40 -0.516 -10.517 -17.897 1.00 0.00 ATOM 336 CD1 LEU A 40 -1.332 -10.702 -16.627 1.00 0.00 ATOM 337 CD2 LEU A 40 -0.155 -11.893 -18.435 1.00 0.00 ATOM 338 O LEU A 40 -0.063 -7.393 -17.041 1.00 0.00 ATOM 339 C LEU A 40 -0.427 -7.552 -18.208 1.00 0.00 ATOM 340 N ALA A 41 0.273 -7.111 -19.244 1.00 0.00 ATOM 341 CA ALA A 41 1.528 -6.381 -19.046 1.00 0.00 ATOM 342 CB ALA A 41 2.234 -6.051 -20.352 1.00 0.00 ATOM 343 O ALA A 41 2.148 -4.773 -17.362 1.00 0.00 ATOM 344 C ALA A 41 1.323 -5.125 -18.225 1.00 0.00 ATOM 345 N GLU A 42 0.237 -4.385 -18.437 1.00 0.00 ATOM 346 CA GLU A 42 -0.014 -3.174 -17.658 1.00 0.00 ATOM 347 CB GLU A 42 -1.256 -2.450 -18.180 1.00 0.00 ATOM 348 CG GLU A 42 -1.070 -1.795 -19.539 1.00 0.00 ATOM 349 CD GLU A 42 -2.353 -1.196 -20.077 1.00 0.00 ATOM 350 OE1 GLU A 42 -3.405 -1.355 -19.423 1.00 0.00 ATOM 351 OE2 GLU A 42 -2.308 -0.565 -21.156 1.00 0.00 ATOM 352 O GLU A 42 0.269 -2.844 -15.294 1.00 0.00 ATOM 353 C GLU A 42 -0.233 -3.545 -16.182 1.00 0.00 ATOM 354 N MET A 43 -0.984 -4.640 -15.971 1.00 0.00 ATOM 355 CA MET A 43 -1.271 -5.059 -14.602 1.00 0.00 ATOM 356 CB MET A 43 -2.361 -6.153 -14.622 1.00 0.00 ATOM 357 CG MET A 43 -3.779 -5.606 -14.974 1.00 0.00 ATOM 358 SD MET A 43 -4.959 -6.901 -15.392 1.00 0.00 ATOM 359 CE MET A 43 -5.144 -7.735 -13.815 1.00 0.00 ATOM 360 O MET A 43 0.170 -5.194 -12.718 1.00 0.00 ATOM 361 C MET A 43 0.008 -5.525 -13.909 1.00 0.00 ATOM 362 N VAL A 44 0.865 -6.280 -14.599 1.00 0.00 ATOM 363 CA VAL A 44 2.156 -6.679 -14.003 1.00 0.00 ATOM 364 CB VAL A 44 2.974 -7.530 -14.992 1.00 0.00 ATOM 365 CG1 VAL A 44 4.348 -7.833 -14.407 1.00 0.00 ATOM 366 CG2 VAL A 44 2.229 -8.831 -15.288 1.00 0.00 ATOM 367 O VAL A 44 3.463 -5.363 -12.472 1.00 0.00 ATOM 368 C VAL A 44 2.951 -5.453 -13.591 1.00 0.00 ATOM 369 N GLY A 45 3.005 -4.428 -14.434 1.00 0.00 ATOM 370 CA GLY A 45 3.670 -3.172 -14.100 1.00 0.00 ATOM 371 O GLY A 45 3.658 -1.898 -12.071 1.00 0.00 ATOM 372 C GLY A 45 2.993 -2.483 -12.928 1.00 0.00 ATOM 373 N GLU A 46 1.643 -2.551 -12.890 1.00 0.00 ATOM 374 CA GLU A 46 0.871 -1.934 -11.816 1.00 0.00 ATOM 375 CB GLU A 46 -0.631 -2.080 -12.065 1.00 0.00 ATOM 376 CG GLU A 46 -1.503 -1.438 -10.997 1.00 0.00 ATOM 377 CD GLU A 46 -2.983 -1.573 -11.293 1.00 0.00 ATOM 378 OE1 GLU A 46 -3.327 -2.159 -12.342 1.00 0.00 ATOM 379 OE2 GLU A 46 -3.798 -1.094 -10.478 1.00 0.00 ATOM 380 O GLU A 46 1.413 -1.933 -9.477 1.00 0.00 ATOM 381 C GLU A 46 1.194 -2.610 -10.485 1.00 0.00 ATOM 382 N MET A 47 1.234 -3.943 -10.485 1.00 0.00 ATOM 383 CA MET A 47 1.541 -4.678 -9.264 1.00 0.00 ATOM 384 CB MET A 47 1.536 -6.185 -9.531 1.00 0.00 ATOM 385 CG MET A 47 0.157 -6.762 -9.810 1.00 0.00 ATOM 386 SD MET A 47 0.210 -8.510 -10.250 1.00 0.00 ATOM 387 CE MET A 47 0.711 -9.236 -8.690 1.00 0.00 ATOM 388 O MET A 47 3.119 -3.957 -7.598 1.00 0.00 ATOM 389 C MET A 47 2.936 -4.264 -8.778 1.00 0.00 ATOM 390 N ASN A 48 3.827 -4.201 -9.710 1.00 0.00 ATOM 391 CA ASN A 48 5.190 -3.821 -9.327 1.00 0.00 ATOM 392 CB ASN A 48 6.103 -3.796 -10.553 1.00 0.00 ATOM 393 CG ASN A 48 6.445 -5.187 -11.053 1.00 0.00 ATOM 394 ND2 ASN A 48 6.938 -5.266 -12.285 1.00 0.00 ATOM 395 OD1 ASN A 48 6.267 -6.174 -10.340 1.00 0.00 ATOM 396 O ASN A 48 5.761 -2.176 -7.644 1.00 0.00 ATOM 397 C ASN A 48 5.155 -2.415 -8.693 1.00 0.00 ATOM 398 N LYS A 49 4.448 -1.525 -9.329 1.00 0.00 ATOM 399 CA LYS A 49 4.300 -0.153 -8.838 1.00 0.00 ATOM 400 CB LYS A 49 3.455 0.689 -9.729 1.00 0.00 ATOM 401 CG LYS A 49 3.536 2.173 -9.410 1.00 0.00 ATOM 402 CD LYS A 49 2.995 3.004 -10.559 1.00 0.00 ATOM 403 CE LYS A 49 3.161 4.493 -10.290 1.00 0.00 ATOM 404 NZ LYS A 49 4.592 4.876 -10.125 1.00 0.00 ATOM 405 O LYS A 49 3.914 0.591 -6.577 1.00 0.00 ATOM 406 C LYS A 49 3.522 -0.122 -7.505 1.00 0.00 ATOM 407 N LEU A 50 2.471 -0.911 -7.403 1.00 0.00 ATOM 408 CA LEU A 50 1.686 -0.958 -6.160 1.00 0.00 ATOM 409 CB LEU A 50 0.457 -1.847 -6.366 1.00 0.00 ATOM 410 CG LEU A 50 -0.628 -1.300 -7.294 1.00 0.00 ATOM 411 CD1 LEU A 50 -1.705 -2.346 -7.538 1.00 0.00 ATOM 412 CD2 LEU A 50 -1.288 -0.072 -6.687 1.00 0.00 ATOM 413 O LEU A 50 2.174 -1.255 -3.822 1.00 0.00 ATOM 414 C LEU A 50 2.468 -1.542 -4.986 1.00 0.00 ATOM 415 N LEU A 51 3.617 -2.279 -5.285 1.00 0.00 ATOM 416 CA LEU A 51 4.453 -2.827 -4.235 1.00 0.00 ATOM 417 CB LEU A 51 5.538 -3.727 -4.830 1.00 0.00 ATOM 418 CG LEU A 51 6.535 -4.334 -3.840 1.00 0.00 ATOM 419 CD1 LEU A 51 5.823 -5.255 -2.860 1.00 0.00 ATOM 420 CD2 LEU A 51 7.593 -5.144 -4.571 1.00 0.00 ATOM 421 O LEU A 51 4.941 -1.560 -2.271 1.00 0.00 ATOM 422 C LEU A 51 5.117 -1.681 -3.473 1.00 0.00 ATOM 423 N GLU A 52 5.839 -0.834 -4.196 1.00 0.00 ATOM 424 CA GLU A 52 6.527 0.305 -3.613 1.00 0.00 ATOM 425 CB GLU A 52 7.975 -0.053 -3.278 1.00 0.00 ATOM 426 CG GLU A 52 8.732 1.042 -2.545 1.00 0.00 ATOM 427 CD GLU A 52 8.034 1.480 -1.273 1.00 0.00 ATOM 428 OE1 GLU A 52 7.856 0.634 -0.372 1.00 0.00 ATOM 429 OE2 GLU A 52 7.667 2.670 -1.176 1.00 0.00 ATOM 430 O GLU A 52 7.539 1.749 -5.260 1.00 0.00 ATOM 431 C GLU A 52 6.551 1.517 -4.577 1.00 0.00 ATOM 432 N PRO A 53 5.471 2.324 -4.601 1.00 0.00 ATOM 433 CA PRO A 53 5.315 3.526 -5.461 1.00 0.00 ATOM 434 CB PRO A 53 4.042 4.193 -4.937 1.00 0.00 ATOM 435 CG PRO A 53 3.233 3.070 -4.379 1.00 0.00 ATOM 436 CD PRO A 53 4.214 2.136 -3.724 1.00 0.00 ATOM 437 O PRO A 53 6.869 5.036 -6.498 1.00 0.00 ATOM 438 C PRO A 53 6.497 4.498 -5.441 1.00 0.00 ATOM 439 N SER A 54 7.179 4.670 -4.227 1.00 0.00 ATOM 440 CA SER A 54 8.272 5.623 -4.079 1.00 0.00 ATOM 441 CB SER A 54 8.585 5.824 -2.596 1.00 0.00 ATOM 442 OG SER A 54 9.089 4.634 -2.014 1.00 0.00 ATOM 443 O SER A 54 10.387 6.063 -5.136 1.00 0.00 ATOM 444 C SER A 54 9.569 5.218 -4.775 1.00 0.00 ATOM 445 N GLN A 55 9.775 3.920 -4.933 1.00 0.00 ATOM 446 CA GLN A 55 11.001 3.407 -5.562 1.00 0.00 ATOM 447 CB GLN A 55 11.424 2.109 -4.873 1.00 0.00 ATOM 448 CG GLN A 55 11.745 2.266 -3.396 1.00 0.00 ATOM 449 CD GLN A 55 12.177 0.964 -2.752 1.00 0.00 ATOM 450 OE1 GLN A 55 12.358 -0.047 -3.430 1.00 0.00 ATOM 451 NE2 GLN A 55 12.346 0.985 -1.434 1.00 0.00 ATOM 452 O GLN A 55 11.984 2.864 -7.675 1.00 0.00 ATOM 453 C GLN A 55 10.945 3.080 -7.052 1.00 0.00 ATOM 454 N VAL A 56 9.741 3.042 -7.618 1.00 0.00 ATOM 455 CA VAL A 56 9.559 2.699 -9.026 1.00 0.00 ATOM 456 CB VAL A 56 8.145 2.095 -9.283 1.00 0.00 ATOM 457 CG1 VAL A 56 7.917 1.886 -10.773 1.00 0.00 ATOM 458 CG2 VAL A 56 7.981 0.778 -8.540 1.00 0.00 ATOM 459 O VAL A 56 9.254 4.974 -9.779 1.00 0.00 ATOM 460 C VAL A 56 9.702 3.859 -10.024 1.00 0.00 ATOM 461 N HIS A 57 10.352 3.570 -11.145 1.00 0.00 ATOM 462 CA HIS A 57 10.579 4.540 -12.217 1.00 0.00 ATOM 463 CB HIS A 57 12.075 4.719 -12.477 1.00 0.00 ATOM 464 CG HIS A 57 12.844 5.203 -11.287 1.00 0.00 ATOM 465 CD2 HIS A 57 13.602 4.574 -10.214 1.00 0.00 ATOM 466 ND1 HIS A 57 12.967 6.539 -10.975 1.00 0.00 ATOM 467 CE1 HIS A 57 13.708 6.660 -9.859 1.00 0.00 ATOM 468 NE2 HIS A 57 14.093 5.486 -9.398 1.00 0.00 ATOM 469 O HIS A 57 10.061 2.886 -13.863 1.00 0.00 ATOM 470 C HIS A 57 9.912 4.053 -13.489 1.00 0.00 ATOM 471 N LEU A 58 9.158 4.935 -14.134 1.00 0.00 ATOM 472 CA LEU A 58 8.496 4.587 -15.381 1.00 0.00 ATOM 473 CB LEU A 58 7.074 5.107 -15.357 1.00 0.00 ATOM 474 CG LEU A 58 6.207 4.841 -16.544 1.00 0.00 ATOM 475 CD1 LEU A 58 6.051 3.359 -16.872 1.00 0.00 ATOM 476 CD2 LEU A 58 4.847 5.457 -16.210 1.00 0.00 ATOM 477 O LEU A 58 9.471 6.479 -16.475 1.00 0.00 ATOM 478 C LEU A 58 9.284 5.270 -16.501 1.00 0.00 ATOM 479 N LYS A 59 9.815 4.491 -17.441 1.00 0.00 ATOM 480 CA LYS A 59 10.608 5.062 -18.528 1.00 0.00 ATOM 481 CB LYS A 59 11.994 4.415 -18.577 1.00 0.00 ATOM 482 CG LYS A 59 12.867 4.722 -17.370 1.00 0.00 ATOM 483 CD LYS A 59 14.239 4.086 -17.504 1.00 0.00 ATOM 484 CE LYS A 59 15.110 4.393 -16.298 1.00 0.00 ATOM 485 NZ LYS A 59 16.463 3.781 -16.419 1.00 0.00 ATOM 486 O LYS A 59 9.378 3.852 -20.189 1.00 0.00 ATOM 487 C LYS A 59 9.985 4.870 -19.912 1.00 0.00 ATOM 488 N PHE A 60 10.092 5.901 -20.746 1.00 0.00 ATOM 489 CA PHE A 60 9.569 5.898 -22.122 1.00 0.00 ATOM 490 CB PHE A 60 8.400 6.878 -22.252 1.00 0.00 ATOM 491 CG PHE A 60 7.808 6.932 -23.631 1.00 0.00 ATOM 492 CD1 PHE A 60 6.971 5.926 -24.080 1.00 0.00 ATOM 493 CD2 PHE A 60 8.087 7.990 -24.478 1.00 0.00 ATOM 494 CE1 PHE A 60 6.425 5.976 -25.350 1.00 0.00 ATOM 495 CE2 PHE A 60 7.541 8.041 -25.746 1.00 0.00 ATOM 496 CZ PHE A 60 6.714 7.040 -26.183 1.00 0.00 ATOM 497 O PHE A 60 11.365 7.354 -22.775 1.00 0.00 ATOM 498 C PHE A 60 10.714 6.333 -23.018 1.00 0.00 ATOM 499 N GLU A 61 10.962 5.543 -24.049 1.00 0.00 ATOM 500 CA GLU A 61 11.968 5.862 -25.036 1.00 0.00 ATOM 501 CB GLU A 61 13.232 5.026 -24.768 1.00 0.00 ATOM 502 CG GLU A 61 13.818 5.216 -23.373 1.00 0.00 ATOM 503 CD GLU A 61 15.327 5.090 -23.351 1.00 0.00 ATOM 504 OE1 GLU A 61 15.996 5.894 -24.035 1.00 0.00 ATOM 505 OE2 GLU A 61 15.844 4.190 -22.653 1.00 0.00 ATOM 506 O GLU A 61 10.893 4.720 -26.858 1.00 0.00 ATOM 507 C GLU A 61 11.395 5.756 -26.448 1.00 0.00 ATOM 508 N LEU A 62 11.441 6.866 -27.167 1.00 0.00 ATOM 509 CA LEU A 62 10.913 6.917 -28.510 1.00 0.00 ATOM 510 CB LEU A 62 9.905 8.059 -28.652 1.00 0.00 ATOM 511 CG LEU A 62 9.305 8.267 -30.044 1.00 0.00 ATOM 512 CD1 LEU A 62 8.470 7.066 -30.453 1.00 0.00 ATOM 513 CD2 LEU A 62 8.412 9.498 -30.065 1.00 0.00 ATOM 514 O LEU A 62 12.870 8.036 -29.311 1.00 0.00 ATOM 515 C LEU A 62 12.041 7.139 -29.484 1.00 0.00 ATOM 516 N HIS A 63 12.159 6.238 -30.445 1.00 0.00 ATOM 517 CA HIS A 63 13.178 6.422 -31.456 1.00 0.00 ATOM 518 CB HIS A 63 14.160 5.250 -31.449 1.00 0.00 ATOM 519 CG HIS A 63 14.878 5.070 -30.149 1.00 0.00 ATOM 520 CD2 HIS A 63 14.771 4.156 -29.020 1.00 0.00 ATOM 521 ND1 HIS A 63 15.924 5.880 -29.758 1.00 0.00 ATOM 522 CE1 HIS A 63 16.361 5.475 -28.552 1.00 0.00 ATOM 523 NE2 HIS A 63 15.674 4.444 -28.103 1.00 0.00 ATOM 524 O HIS A 63 11.960 5.533 -33.330 1.00 0.00 ATOM 525 C HIS A 63 12.435 6.532 -32.783 1.00 0.00 ATOM 526 N ASP A 64 12.331 7.774 -33.314 1.00 0.00 ATOM 527 CA ASP A 64 11.549 8.019 -34.520 1.00 0.00 ATOM 528 CB ASP A 64 11.556 9.521 -34.810 1.00 0.00 ATOM 529 CG ASP A 64 10.586 10.287 -33.934 1.00 0.00 ATOM 530 OD1 ASP A 64 9.750 9.642 -33.267 1.00 0.00 ATOM 531 OD2 ASP A 64 10.663 11.534 -33.911 1.00 0.00 ATOM 532 O ASP A 64 11.497 6.681 -36.497 1.00 0.00 ATOM 533 C ASP A 64 12.179 7.361 -35.737 1.00 0.00 ATOM 534 N LYS A 65 13.586 7.686 -35.721 1.00 0.00 ATOM 535 CA LYS A 65 14.349 7.124 -36.834 1.00 0.00 ATOM 536 CB LYS A 65 15.829 7.485 -36.706 1.00 0.00 ATOM 537 CG LYS A 65 16.135 8.954 -36.947 1.00 0.00 ATOM 538 CD LYS A 65 17.621 9.241 -36.807 1.00 0.00 ATOM 539 CE LYS A 65 17.921 10.715 -37.026 1.00 0.00 ATOM 540 NZ LYS A 65 19.370 11.017 -36.859 1.00 0.00 ATOM 541 O LYS A 65 14.132 5.036 -38.000 1.00 0.00 ATOM 542 C LYS A 65 14.247 5.594 -36.911 1.00 0.00 ATOM 543 N LEU A 66 14.294 4.923 -35.760 1.00 0.00 ATOM 544 CA LEU A 66 14.196 3.462 -35.705 1.00 0.00 ATOM 545 CB LEU A 66 14.804 2.938 -34.403 1.00 0.00 ATOM 546 CG LEU A 66 16.303 3.172 -34.211 1.00 0.00 ATOM 547 CD1 LEU A 66 16.753 2.690 -32.839 1.00 0.00 ATOM 548 CD2 LEU A 66 17.103 2.422 -35.264 1.00 0.00 ATOM 549 O LEU A 66 12.506 1.779 -35.952 1.00 0.00 ATOM 550 C LEU A 66 12.756 2.964 -35.743 1.00 0.00 ATOM 551 N ASN A 67 11.817 3.869 -35.516 1.00 0.00 ATOM 552 CA ASN A 67 10.414 3.498 -35.523 1.00 0.00 ATOM 553 CB ASN A 67 10.080 2.760 -36.820 1.00 0.00 ATOM 554 CG ASN A 67 10.103 3.672 -38.032 1.00 0.00 ATOM 555 ND2 ASN A 67 10.309 3.087 -39.207 1.00 0.00 ATOM 556 OD1 ASN A 67 9.938 4.886 -37.910 1.00 0.00 ATOM 557 O ASN A 67 9.205 1.689 -34.552 1.00 0.00 ATOM 558 C ASN A 67 10.021 2.594 -34.372 1.00 0.00 ATOM 559 N GLU A 68 10.573 2.852 -33.182 1.00 0.00 ATOM 560 CA GLU A 68 10.238 2.029 -32.022 1.00 0.00 ATOM 561 CB GLU A 68 11.370 1.043 -31.728 1.00 0.00 ATOM 562 CG GLU A 68 11.658 0.072 -32.862 1.00 0.00 ATOM 563 CD GLU A 68 12.782 -0.890 -32.534 1.00 0.00 ATOM 564 OE1 GLU A 68 13.900 -0.418 -32.235 1.00 0.00 ATOM 565 OE2 GLU A 68 12.548 -2.117 -32.578 1.00 0.00 ATOM 566 O GLU A 68 10.495 3.903 -30.521 1.00 0.00 ATOM 567 C GLU A 68 9.986 2.802 -30.725 1.00 0.00 ATOM 568 N TYR A 69 9.082 2.261 -29.916 1.00 0.00 ATOM 569 CA TYR A 69 8.753 2.836 -28.630 1.00 0.00 ATOM 570 CB TYR A 69 7.276 3.155 -28.437 1.00 0.00 ATOM 571 CG TYR A 69 6.746 4.007 -29.580 1.00 0.00 ATOM 572 CD1 TYR A 69 7.235 5.291 -29.795 1.00 0.00 ATOM 573 CD2 TYR A 69 5.812 3.490 -30.473 1.00 0.00 ATOM 574 CE1 TYR A 69 6.789 6.060 -30.852 1.00 0.00 ATOM 575 CE2 TYR A 69 5.355 4.260 -31.529 1.00 0.00 ATOM 576 CZ TYR A 69 5.850 5.534 -31.724 1.00 0.00 ATOM 577 OH TYR A 69 5.395 6.294 -32.779 1.00 0.00 ATOM 578 O TYR A 69 8.766 0.602 -27.711 1.00 0.00 ATOM 579 C TYR A 69 9.028 1.792 -27.540 1.00 0.00 ATOM 580 N TYR A 70 9.548 2.250 -26.408 1.00 0.00 ATOM 581 CA TYR A 70 9.842 1.341 -25.323 1.00 0.00 ATOM 582 CB TYR A 70 11.385 1.174 -25.207 1.00 0.00 ATOM 583 CG TYR A 70 12.111 0.534 -26.346 1.00 0.00 ATOM 584 CD1 TYR A 70 12.607 1.266 -27.416 1.00 0.00 ATOM 585 CD2 TYR A 70 12.324 -0.834 -26.342 1.00 0.00 ATOM 586 CE1 TYR A 70 13.331 0.657 -28.441 1.00 0.00 ATOM 587 CE2 TYR A 70 13.053 -1.467 -27.349 1.00 0.00 ATOM 588 CZ TYR A 70 13.537 -0.707 -28.382 1.00 0.00 ATOM 589 OH TYR A 70 14.315 -1.283 -29.389 1.00 0.00 ATOM 590 O TYR A 70 9.650 2.997 -23.602 1.00 0.00 ATOM 591 C TYR A 70 9.402 1.850 -23.947 1.00 0.00 ATOM 592 N VAL A 71 8.693 1.013 -23.196 1.00 0.00 ATOM 593 CA VAL A 71 8.285 1.368 -21.846 1.00 0.00 ATOM 594 CB VAL A 71 6.754 1.346 -21.683 1.00 0.00 ATOM 595 CG1 VAL A 71 6.366 1.671 -20.248 1.00 0.00 ATOM 596 CG2 VAL A 71 6.106 2.372 -22.600 1.00 0.00 ATOM 597 O VAL A 71 8.998 -0.771 -21.057 1.00 0.00 ATOM 598 C VAL A 71 8.925 0.420 -20.804 1.00 0.00 ATOM 599 N LYS A 72 9.364 1.017 -19.743 1.00 0.00 ATOM 600 CA LYS A 72 10.021 0.229 -18.680 1.00 0.00 ATOM 601 CB LYS A 72 11.552 0.443 -18.654 1.00 0.00 ATOM 602 CG LYS A 72 12.312 -0.348 -17.598 1.00 0.00 ATOM 603 CD LYS A 72 13.815 -0.115 -17.644 1.00 0.00 ATOM 604 CE LYS A 72 14.583 -0.921 -16.605 1.00 0.00 ATOM 605 NZ LYS A 72 16.022 -0.519 -16.601 1.00 0.00 ATOM 606 O LYS A 72 9.367 1.830 -17.010 1.00 0.00 ATOM 607 C LYS A 72 9.506 0.647 -17.304 1.00 0.00 ATOM 608 N VAL A 73 9.106 -0.344 -16.518 1.00 0.00 ATOM 609 CA VAL A 73 8.658 -0.140 -15.150 1.00 0.00 ATOM 610 CB VAL A 73 7.204 -0.611 -14.957 1.00 0.00 ATOM 611 CG1 VAL A 73 6.770 -0.419 -13.511 1.00 0.00 ATOM 612 CG2 VAL A 73 6.263 0.184 -15.850 1.00 0.00 ATOM 613 O VAL A 73 9.749 -2.178 -14.498 1.00 0.00 ATOM 614 C VAL A 73 9.627 -0.975 -14.304 1.00 0.00 ATOM 615 N ILE A 74 10.385 -0.301 -13.449 1.00 0.00 ATOM 616 CA ILE A 74 11.357 -0.957 -12.583 1.00 0.00 ATOM 617 CB ILE A 74 12.771 -0.923 -13.193 1.00 0.00 ATOM 618 CG1 ILE A 74 13.224 0.523 -13.407 1.00 0.00 ATOM 619 CG2 ILE A 74 12.790 -1.638 -14.535 1.00 0.00 ATOM 620 CD1 ILE A 74 14.675 0.654 -13.812 1.00 0.00 ATOM 621 O ILE A 74 11.065 0.824 -10.964 1.00 0.00 ATOM 622 C ILE A 74 11.481 -0.318 -11.184 1.00 0.00 ATOM 623 N GLU A 75 11.980 -1.114 -10.235 1.00 0.00 ATOM 624 CA GLU A 75 12.243 -0.680 -8.860 1.00 0.00 ATOM 625 CB GLU A 75 11.107 -1.466 -7.919 1.00 0.00 ATOM 626 CG GLU A 75 9.768 -1.778 -8.583 1.00 0.00 ATOM 627 CD GLU A 75 9.081 -2.965 -7.891 1.00 0.00 ATOM 628 OE1 GLU A 75 8.683 -3.870 -8.648 1.00 0.00 ATOM 629 OE2 GLU A 75 8.997 -2.949 -6.664 1.00 0.00 ATOM 630 O GLU A 75 14.191 -0.989 -7.511 1.00 0.00 ATOM 631 C GLU A 75 13.728 -0.880 -8.634 1.00 0.00 ATOM 632 N ASP A 76 14.457 -0.969 -9.735 1.00 0.00 ATOM 633 CA ASP A 76 15.891 -1.215 -9.726 1.00 0.00 ATOM 634 CB ASP A 76 16.562 -0.404 -8.615 1.00 0.00 ATOM 635 CG ASP A 76 16.539 1.087 -8.889 1.00 0.00 ATOM 636 OD1 ASP A 76 16.288 1.474 -10.050 1.00 0.00 ATOM 637 OD2 ASP A 76 16.772 1.868 -7.943 1.00 0.00 ATOM 638 O ASP A 76 17.186 -3.227 -9.908 1.00 0.00 ATOM 639 C ASP A 76 16.159 -2.702 -9.486 1.00 0.00 ATOM 640 N SER A 77 15.022 -3.416 -8.897 1.00 0.00 ATOM 641 CA SER A 77 15.155 -4.846 -8.636 1.00 0.00 ATOM 642 CB SER A 77 14.467 -5.216 -7.320 1.00 0.00 ATOM 643 OG SER A 77 14.554 -6.608 -7.072 1.00 0.00 ATOM 644 O SER A 77 15.183 -6.159 -10.659 1.00 0.00 ATOM 645 C SER A 77 14.497 -5.625 -9.784 1.00 0.00 ATOM 646 N THR A 78 13.167 -5.647 -9.791 1.00 0.00 ATOM 647 CA THR A 78 12.406 -6.287 -10.857 1.00 0.00 ATOM 648 CB THR A 78 11.021 -6.748 -10.367 1.00 0.00 ATOM 649 CG2 THR A 78 10.233 -7.371 -11.509 1.00 0.00 ATOM 650 OG1 THR A 78 11.180 -7.722 -9.327 1.00 0.00 ATOM 651 O THR A 78 11.887 -4.109 -11.746 1.00 0.00 ATOM 652 C THR A 78 12.206 -5.276 -11.993 1.00 0.00 ATOM 653 N ASN A 79 12.426 -5.725 -13.226 1.00 0.00 ATOM 654 CA ASN A 79 12.296 -4.882 -14.413 1.00 0.00 ATOM 655 CB ASN A 79 13.639 -4.787 -15.142 1.00 0.00 ATOM 656 CG ASN A 79 14.703 -4.090 -14.316 1.00 0.00 ATOM 657 ND2 ASN A 79 15.959 -4.440 -14.555 1.00 0.00 ATOM 658 OD1 ASN A 79 14.394 -3.247 -13.472 1.00 0.00 ATOM 659 O ASN A 79 11.283 -6.666 -15.650 1.00 0.00 ATOM 660 C ASN A 79 11.300 -5.461 -15.403 1.00 0.00 ATOM 661 N GLU A 80 10.409 -4.623 -15.927 1.00 0.00 ATOM 662 CA GLU A 80 9.412 -5.016 -16.909 1.00 0.00 ATOM 663 CB GLU A 80 8.016 -4.981 -16.281 1.00 0.00 ATOM 664 CG GLU A 80 6.906 -5.431 -17.216 1.00 0.00 ATOM 665 CD GLU A 80 5.548 -5.451 -16.539 1.00 0.00 ATOM 666 OE1 GLU A 80 5.462 -5.029 -15.368 1.00 0.00 ATOM 667 OE2 GLU A 80 4.572 -5.893 -17.182 1.00 0.00 ATOM 668 O GLU A 80 9.259 -2.853 -17.914 1.00 0.00 ATOM 669 C GLU A 80 9.470 -4.047 -18.086 1.00 0.00 ATOM 670 N VAL A 81 9.982 -4.567 -19.292 1.00 0.00 ATOM 671 CA VAL A 81 10.011 -3.718 -20.488 1.00 0.00 ATOM 672 CB VAL A 81 11.413 -3.703 -21.126 1.00 0.00 ATOM 673 CG1 VAL A 81 11.407 -2.877 -22.403 1.00 0.00 ATOM 674 CG2 VAL A 81 12.427 -3.098 -20.167 1.00 0.00 ATOM 675 O VAL A 81 8.906 -5.484 -21.682 1.00 0.00 ATOM 676 C VAL A 81 9.007 -4.264 -21.485 1.00 0.00 ATOM 677 N ILE A 82 8.479 -3.294 -22.257 1.00 0.00 ATOM 678 CA ILE A 82 7.721 -3.657 -23.460 1.00 0.00 ATOM 679 CB ILE A 82 6.207 -3.442 -23.275 1.00 0.00 ATOM 680 CG1 ILE A 82 5.680 -4.310 -22.131 1.00 0.00 ATOM 681 CG2 ILE A 82 5.458 -3.812 -24.546 1.00 0.00 ATOM 682 CD1 ILE A 82 4.238 -4.031 -21.767 1.00 0.00 ATOM 683 O ILE A 82 8.155 -1.618 -24.597 1.00 0.00 ATOM 684 C ILE A 82 8.156 -2.839 -24.651 1.00 0.00 ATOM 685 N ARG A 83 8.610 -3.546 -25.682 1.00 0.00 ATOM 686 CA ARG A 83 9.109 -2.964 -26.918 1.00 0.00 ATOM 687 CB ARG A 83 10.340 -3.726 -27.418 1.00 0.00 ATOM 688 CG ARG A 83 10.802 -3.254 -28.807 1.00 0.00 ATOM 689 CD ARG A 83 9.999 -3.905 -29.935 1.00 0.00 ATOM 690 NE ARG A 83 10.690 -5.074 -30.447 1.00 0.00 ATOM 691 CZ ARG A 83 10.136 -5.973 -31.250 1.00 0.00 ATOM 692 NH1 ARG A 83 8.877 -5.804 -31.611 1.00 0.00 ATOM 693 NH2 ARG A 83 10.838 -7.010 -31.721 1.00 0.00 ATOM 694 O ARG A 83 7.869 -4.294 -28.433 1.00 0.00 ATOM 695 C ARG A 83 8.231 -3.163 -28.144 1.00 0.00 ATOM 696 N GLU A 84 7.998 -1.945 -28.811 1.00 0.00 ATOM 697 CA GLU A 84 7.095 -2.031 -29.939 1.00 0.00 ATOM 698 CB GLU A 84 5.698 -1.582 -29.504 1.00 0.00 ATOM 699 CG GLU A 84 5.036 -2.506 -28.496 1.00 0.00 ATOM 700 CD GLU A 84 4.669 -3.851 -29.092 1.00 0.00 ATOM 701 OE1 GLU A 84 4.691 -3.976 -30.335 1.00 0.00 ATOM 702 OE2 GLU A 84 4.358 -4.780 -28.317 1.00 0.00 ATOM 703 O GLU A 84 8.395 -0.254 -30.924 1.00 0.00 ATOM 704 C GLU A 84 7.529 -1.129 -31.078 1.00 0.00 ATOM 705 N ILE A 85 6.924 -1.384 -32.234 1.00 0.00 ATOM 706 CA ILE A 85 7.194 -0.644 -33.460 1.00 0.00 ATOM 707 CB ILE A 85 8.103 -1.442 -34.414 1.00 0.00 ATOM 708 CG1 ILE A 85 7.441 -2.770 -34.791 1.00 0.00 ATOM 709 CG2 ILE A 85 9.439 -1.740 -33.751 1.00 0.00 ATOM 710 CD1 ILE A 85 8.158 -3.517 -35.895 1.00 0.00 ATOM 711 O ILE A 85 5.807 0.306 -35.157 1.00 0.00 ATOM 712 C ILE A 85 5.856 -0.371 -34.149 1.00 0.00 ATOM 713 N PRO A 86 4.691 -0.863 -33.511 1.00 0.00 ATOM 714 CA PRO A 86 3.368 -0.507 -33.976 1.00 0.00 ATOM 715 CB PRO A 86 2.495 -1.805 -33.850 1.00 0.00 ATOM 716 CG PRO A 86 3.360 -2.744 -33.121 1.00 0.00 ATOM 717 CD PRO A 86 4.663 -2.090 -32.753 1.00 0.00 ATOM 718 O PRO A 86 2.805 1.113 -32.299 1.00 0.00 ATOM 719 C PRO A 86 2.904 0.868 -33.494 1.00 0.00 ATOM 720 N PRO A 87 2.576 1.768 -34.435 1.00 0.00 ATOM 721 CA PRO A 87 2.126 3.091 -33.996 1.00 0.00 ATOM 722 CB PRO A 87 1.816 3.803 -35.315 1.00 0.00 ATOM 723 CG PRO A 87 2.814 3.194 -36.265 1.00 0.00 ATOM 724 CD PRO A 87 2.773 1.721 -35.897 1.00 0.00 ATOM 725 O PRO A 87 0.538 3.963 -32.415 1.00 0.00 ATOM 726 C PRO A 87 0.859 3.024 -33.156 1.00 0.00 ATOM 727 N LYS A 88 0.146 1.836 -33.284 1.00 0.00 ATOM 728 CA LYS A 88 -1.097 1.603 -32.547 1.00 0.00 ATOM 729 CB LYS A 88 -1.828 0.380 -33.104 1.00 0.00 ATOM 730 CG LYS A 88 -2.386 0.573 -34.504 1.00 0.00 ATOM 731 CD LYS A 88 -3.069 -0.689 -35.006 1.00 0.00 ATOM 732 CE LYS A 88 -3.658 -0.484 -36.392 1.00 0.00 ATOM 733 NZ LYS A 88 -4.319 -1.716 -36.904 1.00 0.00 ATOM 734 O LYS A 88 -1.750 1.521 -30.254 1.00 0.00 ATOM 735 C LYS A 88 -0.847 1.363 -31.096 1.00 0.00 ATOM 736 N ARG A 89 0.377 1.023 -30.749 1.00 0.00 ATOM 737 CA ARG A 89 0.697 0.711 -29.379 1.00 0.00 ATOM 738 CB ARG A 89 1.824 -0.310 -29.188 1.00 0.00 ATOM 739 CG ARG A 89 1.526 -1.794 -29.337 1.00 0.00 ATOM 740 CD ARG A 89 1.255 -2.202 -30.780 1.00 0.00 ATOM 741 NE ARG A 89 1.094 -3.663 -30.910 1.00 0.00 ATOM 742 CZ ARG A 89 0.619 -4.369 -31.924 1.00 0.00 ATOM 743 NH1 ARG A 89 0.190 -3.797 -33.042 1.00 0.00 ATOM 744 NH2 ARG A 89 0.536 -5.700 -31.871 1.00 0.00 ATOM 745 O ARG A 89 1.365 1.794 -27.365 1.00 0.00 ATOM 746 C ARG A 89 1.221 1.897 -28.573 1.00 0.00 ATOM 747 N TRP A 90 1.489 3.014 -29.284 1.00 0.00 ATOM 748 CA TRP A 90 1.999 4.190 -28.547 1.00 0.00 ATOM 749 CB TRP A 90 2.387 5.306 -29.519 1.00 0.00 ATOM 750 CG TRP A 90 2.876 6.548 -28.841 1.00 0.00 ATOM 751 CD1 TRP A 90 4.151 6.808 -28.424 1.00 0.00 ATOM 752 CD2 TRP A 90 2.099 7.703 -28.499 1.00 0.00 ATOM 753 CE2 TRP A 90 2.969 8.623 -27.878 1.00 0.00 ATOM 754 CE3 TRP A 90 0.755 8.050 -28.656 1.00 0.00 ATOM 755 NE1 TRP A 90 4.218 8.051 -27.844 1.00 0.00 ATOM 756 CZ2 TRP A 90 2.537 9.863 -27.415 1.00 0.00 ATOM 757 CZ3 TRP A 90 0.330 9.282 -28.197 1.00 0.00 ATOM 758 CH2 TRP A 90 1.216 10.176 -27.582 1.00 0.00 ATOM 759 O TRP A 90 1.167 5.165 -26.435 1.00 0.00 ATOM 760 C TRP A 90 0.879 4.757 -27.606 1.00 0.00 ATOM 761 N LEU A 91 -0.407 4.860 -28.092 1.00 0.00 ATOM 762 CA LEU A 91 -1.520 5.300 -27.240 1.00 0.00 ATOM 763 CB LEU A 91 -2.856 5.248 -27.985 1.00 0.00 ATOM 764 CG LEU A 91 -4.088 5.701 -27.200 1.00 0.00 ATOM 765 CD1 LEU A 91 -3.970 7.165 -26.810 1.00 0.00 ATOM 766 CD2 LEU A 91 -5.349 5.530 -28.033 1.00 0.00 ATOM 767 O LEU A 91 -1.936 4.999 -24.896 1.00 0.00 ATOM 768 C LEU A 91 -1.738 4.461 -25.979 1.00 0.00 ATOM 769 N ASP A 92 -1.665 3.148 -26.124 1.00 0.00 ATOM 770 CA ASP A 92 -1.853 2.247 -24.989 1.00 0.00 ATOM 771 CB ASP A 92 -1.840 0.783 -25.429 1.00 0.00 ATOM 772 CG ASP A 92 -3.113 0.378 -26.147 1.00 0.00 ATOM 773 OD1 ASP A 92 -4.094 1.150 -26.097 1.00 0.00 ATOM 774 OD2 ASP A 92 -3.130 -0.710 -26.759 1.00 0.00 ATOM 775 O ASP A 92 -0.970 2.521 -22.763 1.00 0.00 ATOM 776 C ASP A 92 -0.737 2.493 -23.970 1.00 0.00 ATOM 777 N PHE A 93 0.428 2.662 -24.512 1.00 0.00 ATOM 778 CA PHE A 93 1.621 2.903 -23.709 1.00 0.00 ATOM 779 CB PHE A 93 2.913 2.973 -24.527 1.00 0.00 ATOM 780 CG PHE A 93 3.334 1.654 -25.109 1.00 0.00 ATOM 781 CD1 PHE A 93 2.758 0.473 -24.674 1.00 0.00 ATOM 782 CD2 PHE A 93 4.307 1.595 -26.093 1.00 0.00 ATOM 783 CE1 PHE A 93 3.146 -0.739 -25.211 1.00 0.00 ATOM 784 CE2 PHE A 93 4.693 0.382 -26.629 1.00 0.00 ATOM 785 CZ PHE A 93 4.117 -0.783 -26.193 1.00 0.00 ATOM 786 O PHE A 93 1.838 4.261 -21.742 1.00 0.00 ATOM 787 C PHE A 93 1.533 4.220 -22.940 1.00 0.00 ATOM 788 N TYR A 94 1.128 5.334 -23.608 1.00 0.00 ATOM 789 CA TYR A 94 1.024 6.628 -22.935 1.00 0.00 ATOM 790 CB TYR A 94 0.760 7.720 -23.993 1.00 0.00 ATOM 791 CG TYR A 94 0.666 9.112 -23.411 1.00 0.00 ATOM 792 CD1 TYR A 94 1.782 9.949 -23.361 1.00 0.00 ATOM 793 CD2 TYR A 94 -0.530 9.572 -22.863 1.00 0.00 ATOM 794 CE1 TYR A 94 1.701 11.214 -22.764 1.00 0.00 ATOM 795 CE2 TYR A 94 -0.619 10.819 -22.265 1.00 0.00 ATOM 796 CZ TYR A 94 0.498 11.637 -22.221 1.00 0.00 ATOM 797 OH TYR A 94 0.395 12.870 -21.613 1.00 0.00 ATOM 798 O TYR A 94 0.142 7.120 -20.728 1.00 0.00 ATOM 799 C TYR A 94 -0.070 6.616 -21.828 1.00 0.00 ATOM 800 N ALA A 95 -1.269 6.124 -22.113 1.00 0.00 ATOM 801 CA ALA A 95 -2.306 6.081 -21.111 1.00 0.00 ATOM 802 CB ALA A 95 -3.564 5.440 -21.677 1.00 0.00 ATOM 803 O ALA A 95 -2.268 5.596 -18.744 1.00 0.00 ATOM 804 C ALA A 95 -1.902 5.264 -19.878 1.00 0.00 ATOM 805 N ALA A 96 -1.108 4.226 -20.119 1.00 0.00 ATOM 806 CA ALA A 96 -0.643 3.361 -19.037 1.00 0.00 ATOM 807 CB ALA A 96 0.003 2.104 -19.600 1.00 0.00 ATOM 808 O ALA A 96 0.413 4.006 -16.976 1.00 0.00 ATOM 809 C ALA A 96 0.433 4.056 -18.210 1.00 0.00 ATOM 810 N MET A 97 1.408 4.671 -18.883 1.00 0.00 ATOM 811 CA MET A 97 2.475 5.360 -18.169 1.00 0.00 ATOM 812 CB MET A 97 3.541 5.898 -19.072 1.00 0.00 ATOM 813 CG MET A 97 4.402 4.831 -19.732 1.00 0.00 ATOM 814 SD MET A 97 5.587 5.547 -20.889 1.00 0.00 ATOM 815 CE MET A 97 6.759 6.306 -19.748 1.00 0.00 ATOM 816 O MET A 97 2.193 6.687 -16.200 1.00 0.00 ATOM 817 C MET A 97 1.835 6.470 -17.348 1.00 0.00 ATOM 818 N THR A 98 0.848 7.104 -17.928 1.00 0.00 ATOM 819 CA THR A 98 0.130 8.181 -17.263 1.00 0.00 ATOM 820 CB THR A 98 -0.848 8.889 -18.218 1.00 0.00 ATOM 821 CG2 THR A 98 -1.595 9.997 -17.492 1.00 0.00 ATOM 822 OG1 THR A 98 -0.120 9.460 -19.312 1.00 0.00 ATOM 823 O THR A 98 -0.632 8.358 -14.980 1.00 0.00 ATOM 824 C THR A 98 -0.653 7.738 -16.040 1.00 0.00 ATOM 825 N GLU A 99 -1.337 6.582 -16.138 1.00 0.00 ATOM 826 CA GLU A 99 -2.048 6.027 -15.013 1.00 0.00 ATOM 827 CB GLU A 99 -2.845 4.788 -15.414 1.00 0.00 ATOM 828 CG GLU A 99 -3.777 5.084 -16.584 1.00 0.00 ATOM 829 CD GLU A 99 -4.621 3.895 -16.990 1.00 0.00 ATOM 830 OE1 GLU A 99 -4.222 2.753 -16.695 1.00 0.00 ATOM 831 OE2 GLU A 99 -5.670 4.108 -17.622 1.00 0.00 ATOM 832 O GLU A 99 -1.399 5.979 -12.725 1.00 0.00 ATOM 833 C GLU A 99 -1.092 5.716 -13.881 1.00 0.00 ATOM 834 N PHE A 100 0.057 5.131 -14.217 1.00 0.00 ATOM 835 CA PHE A 100 1.068 4.798 -13.217 1.00 0.00 ATOM 836 CB PHE A 100 2.306 4.192 -13.888 1.00 0.00 ATOM 837 CG PHE A 100 2.069 2.863 -14.536 1.00 0.00 ATOM 838 CD1 PHE A 100 2.876 2.449 -15.594 1.00 0.00 ATOM 839 CD2 PHE A 100 1.077 1.999 -14.066 1.00 0.00 ATOM 840 CE1 PHE A 100 2.706 1.187 -16.185 1.00 0.00 ATOM 841 CE2 PHE A 100 0.902 0.738 -14.650 1.00 0.00 ATOM 842 CZ PHE A 100 1.716 0.337 -15.707 1.00 0.00 ATOM 843 O PHE A 100 1.583 6.114 -11.276 1.00 0.00 ATOM 844 C PHE A 100 1.486 6.069 -12.505 1.00 0.00 ATOM 845 N LEU A 101 1.741 7.114 -13.267 1.00 0.00 ATOM 846 CA LEU A 101 2.164 8.393 -12.695 1.00 0.00 ATOM 847 CB LEU A 101 2.413 9.421 -13.801 1.00 0.00 ATOM 848 CG LEU A 101 3.631 9.172 -14.695 1.00 0.00 ATOM 849 CD1 LEU A 101 3.657 10.154 -15.854 1.00 0.00 ATOM 850 CD2 LEU A 101 4.921 9.336 -13.905 1.00 0.00 ATOM 851 O LEU A 101 1.384 9.324 -10.666 1.00 0.00 ATOM 852 C LEU A 101 1.094 8.910 -11.771 1.00 0.00 ATOM 853 N GLY A 102 -0.167 8.763 -12.210 1.00 0.00 ATOM 854 CA GLY A 102 -1.282 9.235 -11.401 1.00 0.00 ATOM 855 O GLY A 102 -1.691 9.182 -9.045 1.00 0.00 ATOM 856 C GLY A 102 -1.387 8.543 -10.046 1.00 0.00 ATOM 857 N LEU A 103 -1.113 7.243 -10.006 1.00 0.00 ATOM 858 CA LEU A 103 -1.061 6.499 -8.746 1.00 0.00 ATOM 859 CB LEU A 103 -1.004 4.996 -9.014 1.00 0.00 ATOM 860 CG LEU A 103 -2.274 4.359 -9.583 1.00 0.00 ATOM 861 CD1 LEU A 103 -2.021 2.910 -9.970 1.00 0.00 ATOM 862 CD2 LEU A 103 -3.397 4.389 -8.558 1.00 0.00 ATOM 863 O LEU A 103 0.089 7.130 -6.731 1.00 0.00 ATOM 864 C LEU A 103 0.168 6.896 -7.939 1.00 0.00 ATOM 865 N PHE A 104 1.297 7.010 -8.633 1.00 0.00 ATOM 866 CA PHE A 104 2.558 7.383 -7.999 1.00 0.00 ATOM 867 CB PHE A 104 3.510 7.861 -9.307 1.00 0.00 ATOM 868 CG PHE A 104 5.001 8.017 -9.212 1.00 0.00 ATOM 869 CD1 PHE A 104 5.838 6.981 -9.518 1.00 0.00 ATOM 870 CD2 PHE A 104 5.593 9.187 -8.826 1.00 0.00 ATOM 871 CE1 PHE A 104 7.206 7.079 -9.458 1.00 0.00 ATOM 872 CE2 PHE A 104 6.949 9.354 -8.756 1.00 0.00 ATOM 873 CZ PHE A 104 7.767 8.283 -9.075 1.00 0.00 ATOM 874 O PHE A 104 3.093 8.977 -6.295 1.00 0.00 ATOM 875 C PHE A 104 2.538 8.763 -7.371 1.00 0.00 ATOM 876 N VAL A 105 1.837 9.739 -8.129 1.00 0.00 ATOM 877 CA VAL A 105 1.814 11.132 -7.719 1.00 0.00 ATOM 878 CB VAL A 105 2.456 12.127 -8.711 1.00 0.00 ATOM 879 CG1 VAL A 105 3.971 12.054 -8.743 1.00 0.00 ATOM 880 CG2 VAL A 105 1.886 11.955 -10.117 1.00 0.00 ATOM 881 O VAL A 105 -0.549 11.005 -8.114 1.00 0.00 ATOM 882 C VAL A 105 0.383 11.652 -7.636 1.00 0.00 ATOM 883 N ASP A 106 0.202 12.824 -7.030 1.00 0.00 ATOM 884 CA ASP A 106 -1.141 13.368 -6.912 1.00 0.00 ATOM 885 CB ASP A 106 -1.220 14.463 -5.830 1.00 0.00 ATOM 886 CG ASP A 106 -0.393 15.703 -6.151 1.00 0.00 ATOM 887 OD1 ASP A 106 0.001 15.916 -7.318 1.00 0.00 ATOM 888 OD2 ASP A 106 -0.157 16.487 -5.209 1.00 0.00 ATOM 889 O ASP A 106 -0.942 13.898 -9.250 1.00 0.00 ATOM 890 C ASP A 106 -1.661 13.887 -8.246 1.00 0.00 ATOM 891 N GLU A 107 -2.991 14.345 -8.259 1.00 0.00 ATOM 892 CA GLU A 107 -3.631 14.819 -9.483 1.00 0.00 ATOM 893 CB GLU A 107 -5.111 15.203 -9.116 1.00 0.00 ATOM 894 CG GLU A 107 -6.011 14.018 -8.789 1.00 0.00 ATOM 895 CD GLU A 107 -7.393 14.442 -8.297 1.00 0.00 ATOM 896 OE1 GLU A 107 -7.538 15.569 -7.759 1.00 0.00 ATOM 897 OE2 GLU A 107 -8.335 13.637 -8.444 1.00 0.00 ATOM 898 O GLU A 107 -2.761 15.974 -11.401 1.00 0.00 ATOM 899 C GLU A 107 -2.901 15.968 -10.177 1.00 0.00 ATOM 900 N LYS A 108 -2.445 16.948 -9.401 1.00 0.00 ATOM 901 CA LYS A 108 -1.739 18.074 -10.002 1.00 0.00 ATOM 902 CB LYS A 108 -1.403 19.122 -8.938 1.00 0.00 ATOM 903 CG LYS A 108 -0.709 20.360 -9.485 1.00 0.00 ATOM 904 CD LYS A 108 -0.474 21.389 -8.391 1.00 0.00 ATOM 905 CE LYS A 108 0.245 22.614 -8.931 1.00 0.00 ATOM 906 NZ LYS A 108 0.494 23.625 -7.867 1.00 0.00 ATOM 907 O LYS A 108 -0.135 18.044 -11.793 1.00 0.00 ATOM 908 C LYS A 108 -0.446 17.618 -10.675 1.00 0.00 ATOM 909 N LYS A 109 0.305 16.746 -10.000 1.00 0.00 ATOM 910 CA LYS A 109 1.564 16.239 -10.542 1.00 0.00 ATOM 911 CB LYS A 109 2.242 15.340 -9.504 1.00 0.00 ATOM 912 CG LYS A 109 2.798 16.089 -8.304 1.00 0.00 ATOM 913 CD LYS A 109 3.458 15.139 -7.319 1.00 0.00 ATOM 914 CE LYS A 109 3.986 15.883 -6.102 1.00 0.00 ATOM 915 NZ LYS A 109 4.614 14.961 -5.117 1.00 0.00 ATOM 916 O LYS A 109 2.011 15.604 -12.791 1.00 0.00 ATOM 917 C LYS A 109 1.293 15.445 -11.812 1.00 0.00 ATOM 918 N LEU A 110 0.300 14.545 -11.804 1.00 0.00 ATOM 919 CA LEU A 110 -0.044 13.727 -12.978 1.00 0.00 ATOM 920 CB LEU A 110 -1.233 12.819 -12.656 1.00 0.00 ATOM 921 CG LEU A 110 -1.800 12.037 -13.847 1.00 0.00 ATOM 922 CD1 LEU A 110 -0.746 11.100 -14.468 1.00 0.00 ATOM 923 CD2 LEU A 110 -3.012 11.239 -13.357 1.00 0.00 ATOM 924 O LEU A 110 0.097 14.331 -15.289 1.00 0.00 ATOM 925 C LEU A 110 -0.377 14.591 -14.186 1.00 0.00 ATOM 926 N GLU A 111 -1.142 15.645 -13.963 1.00 0.00 ATOM 927 CA GLU A 111 -1.501 16.577 -15.035 1.00 0.00 ATOM 928 CB GLU A 111 -2.567 17.577 -14.586 1.00 0.00 ATOM 929 CG GLU A 111 -3.939 16.962 -14.363 1.00 0.00 ATOM 930 CD GLU A 111 -4.947 17.963 -13.831 1.00 0.00 ATOM 931 OE1 GLU A 111 -4.556 19.122 -13.579 1.00 0.00 ATOM 932 OE2 GLU A 111 -6.127 17.589 -13.668 1.00 0.00 ATOM 933 O GLU A 111 -0.146 17.608 -16.717 1.00 0.00 ATOM 934 C GLU A 111 -0.277 17.348 -15.521 1.00 0.00 ATOM 935 N HIS A 112 0.622 17.715 -14.609 1.00 0.00 ATOM 936 CA HIS A 112 1.836 18.402 -15.029 1.00 0.00 ATOM 937 CB HIS A 112 2.667 18.814 -13.812 1.00 0.00 ATOM 938 CG HIS A 112 3.906 19.580 -14.157 1.00 0.00 ATOM 939 CD2 HIS A 112 5.336 19.317 -14.109 1.00 0.00 ATOM 940 ND1 HIS A 112 3.872 20.864 -14.658 1.00 0.00 ATOM 941 CE1 HIS A 112 5.132 21.285 -14.868 1.00 0.00 ATOM 942 NE2 HIS A 112 6.015 20.362 -14.542 1.00 0.00 ATOM 943 O HIS A 112 3.183 17.908 -16.953 1.00 0.00 ATOM 944 C HIS A 112 2.659 17.465 -15.940 1.00 0.00 ATOM 945 N HIS A 113 2.769 16.189 -15.561 1.00 0.00 ATOM 946 CA HIS A 113 3.480 15.209 -16.391 1.00 0.00 ATOM 947 CB HIS A 113 3.444 13.826 -15.735 1.00 0.00 ATOM 948 CG HIS A 113 4.302 13.715 -14.513 1.00 0.00 ATOM 949 CD2 HIS A 113 4.065 13.467 -13.099 1.00 0.00 ATOM 950 ND1 HIS A 113 5.671 13.853 -14.551 1.00 0.00 ATOM 951 CE1 HIS A 113 6.159 13.703 -13.306 1.00 0.00 ATOM 952 NE2 HIS A 113 5.200 13.471 -12.429 1.00 0.00 ATOM 953 O HIS A 113 3.499 15.130 -18.792 1.00 0.00 ATOM 954 C HIS A 113 2.820 15.129 -17.765 1.00 0.00 ATOM 955 N HIS A 114 1.498 15.112 -17.773 1.00 0.00 ATOM 956 CA HIS A 114 0.770 15.076 -19.040 1.00 0.00 ATOM 957 CB HIS A 114 -0.739 15.053 -18.789 1.00 0.00 ATOM 958 CG HIS A 114 -1.559 15.013 -20.042 1.00 0.00 ATOM 959 CD2 HIS A 114 -2.407 15.954 -20.757 1.00 0.00 ATOM 960 ND1 HIS A 114 -1.647 13.890 -20.837 1.00 0.00 ATOM 961 CE1 HIS A 114 -2.450 14.158 -21.882 1.00 0.00 ATOM 962 NE2 HIS A 114 -2.910 15.393 -21.841 1.00 0.00 ATOM 963 O HIS A 114 1.264 16.201 -21.098 1.00 0.00 ATOM 964 C HIS A 114 1.098 16.303 -19.886 1.00 0.00 ATOM 965 N HIS A 115 1.219 17.473 -19.260 1.00 0.00 ATOM 966 CA HIS A 115 1.571 18.667 -20.023 1.00 0.00 ATOM 967 CB HIS A 115 1.629 19.890 -19.107 1.00 0.00 ATOM 968 CG HIS A 115 2.041 21.149 -19.806 1.00 0.00 ATOM 969 CD2 HIS A 115 3.244 21.966 -19.850 1.00 0.00 ATOM 970 ND1 HIS A 115 1.202 21.837 -20.655 1.00 0.00 ATOM 971 CE1 HIS A 115 1.847 22.918 -21.128 1.00 0.00 ATOM 972 NE2 HIS A 115 3.074 23.002 -20.649 1.00 0.00 ATOM 973 O HIS A 115 3.148 18.791 -21.864 1.00 0.00 ATOM 974 C HIS A 115 2.952 18.470 -20.685 1.00 0.00 ATOM 975 N HIS A 116 3.920 17.963 -19.927 1.00 0.00 ATOM 976 CA HIS A 116 5.263 17.756 -20.457 1.00 0.00 ATOM 977 CB HIS A 116 6.186 17.195 -19.372 1.00 0.00 ATOM 978 CG HIS A 116 7.589 16.958 -19.836 1.00 0.00 ATOM 979 CD2 HIS A 116 8.401 15.786 -20.137 1.00 0.00 ATOM 980 ND1 HIS A 116 8.472 17.985 -20.093 1.00 0.00 ATOM 981 CE1 HIS A 116 9.646 17.464 -20.491 1.00 0.00 ATOM 982 NE2 HIS A 116 9.611 16.145 -20.520 1.00 0.00 ATOM 983 O HIS A 116 5.972 16.959 -22.622 1.00 0.00 ATOM 984 C HIS A 116 5.261 16.770 -21.630 1.00 0.00 ATOM 985 N HIS A 117 4.412 15.753 -21.535 1.00 0.00 ATOM 986 CA HIS A 117 4.306 14.738 -22.582 1.00 0.00 ATOM 987 CB HIS A 117 3.588 13.495 -21.932 1.00 0.00 ATOM 988 CG HIS A 117 4.372 12.720 -20.904 1.00 0.00 ATOM 989 CD2 HIS A 117 4.065 12.359 -19.631 1.00 0.00 ATOM 990 ND1 HIS A 117 5.611 12.175 -21.162 1.00 0.00 ATOM 991 CE1 HIS A 117 6.025 11.498 -20.101 1.00 0.00 ATOM 992 NE2 HIS A 117 5.109 11.600 -19.157 1.00 0.00 ATOM 993 O HIS A 117 3.604 14.498 -24.850 1.00 0.00 ATOM 994 C HIS A 117 3.574 15.194 -23.832 1.00 0.00 ENDMDL EXPDTA 2hc5A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hc5A ATOM 1 C ASN 2 5.383 3.222 -3.105 1.00 0.00 ATOM 2 N ILE A 3 5.303 5.460 -2.478 1.00 0.00 ATOM 3 CA ILE A 3 6.092 5.264 -3.689 1.00 0.00 ATOM 4 CB ILE A 3 5.378 5.869 -4.925 1.00 0.00 ATOM 5 CG1 ILE A 3 6.074 5.437 -6.220 1.00 0.00 ATOM 6 CG2 ILE A 3 5.326 7.389 -4.827 1.00 0.00 ATOM 7 CD1 ILE A 3 5.355 5.877 -7.475 1.00 0.00 ATOM 8 O ILE A 3 8.395 5.595 -4.300 1.00 0.00 ATOM 9 C ILE A 3 7.480 5.883 -3.531 1.00 0.00 ATOM 10 N GLU A 4 7.645 6.694 -2.493 1.00 0.00 ATOM 11 CA GLU A 4 8.893 7.421 -2.270 1.00 0.00 ATOM 12 CB GLU A 4 8.699 8.462 -1.169 1.00 0.00 ATOM 13 CG GLU A 4 7.475 9.338 -1.368 1.00 0.00 ATOM 14 CD GLU A 4 7.185 10.210 -0.168 1.00 0.00 ATOM 15 OE1 GLU A 4 7.014 9.660 0.941 1.00 0.00 ATOM 16 OE2 GLU A 4 7.106 11.443 -0.326 1.00 0.00 ATOM 17 O GLU A 4 11.183 6.874 -1.778 1.00 0.00 ATOM 18 C GLU A 4 10.026 6.470 -1.880 1.00 0.00 ATOM 19 N ARG A 5 9.685 5.207 -1.651 1.00 0.00 ATOM 20 CA ARG A 5 10.669 4.204 -1.275 1.00 0.00 ATOM 21 CB ARG A 5 10.407 3.699 0.149 1.00 0.00 ATOM 22 CG ARG A 5 10.570 4.780 1.208 1.00 0.00 ATOM 23 CD ARG A 5 10.313 4.252 2.612 1.00 0.00 ATOM 24 NE ARG A 5 8.946 3.760 2.778 1.00 0.00 ATOM 25 CZ ARG A 5 8.021 4.367 3.525 1.00 0.00 ATOM 26 NH1 ARG A 5 8.296 5.517 4.131 1.00 0.00 ATOM 27 NH2 ARG A 5 6.814 3.831 3.659 1.00 0.00 ATOM 28 O ARG A 5 11.248 2.001 -2.041 1.00 0.00 ATOM 29 C ARG A 5 10.646 3.048 -2.269 1.00 0.00 ATOM 30 N LEU A 6 9.957 3.257 -3.382 1.00 0.00 ATOM 31 CA LEU A 6 9.862 2.249 -4.428 1.00 0.00 ATOM 32 CB LEU A 6 8.583 2.457 -5.241 1.00 0.00 ATOM 33 CG LEU A 6 8.374 1.476 -6.394 1.00 0.00 ATOM 34 CD1 LEU A 6 8.222 0.055 -5.869 1.00 0.00 ATOM 35 CD2 LEU A 6 7.161 1.879 -7.217 1.00 0.00 ATOM 36 O LEU A 6 11.424 3.390 -5.845 1.00 0.00 ATOM 37 C LEU A 6 11.084 2.320 -5.338 1.00 0.00 ATOM 38 N THR A 7 11.755 1.187 -5.529 1.00 0.00 ATOM 39 CA THR A 7 12.979 1.151 -6.324 1.00 0.00 ATOM 40 CB THR A 7 14.193 0.749 -5.462 1.00 0.00 ATOM 41 CG2 THR A 7 14.350 1.664 -4.260 1.00 0.00 ATOM 42 OG1 THR A 7 14.049 -0.604 -5.004 1.00 0.00 ATOM 43 O THR A 7 13.634 0.276 -8.466 1.00 0.00 ATOM 44 C THR A 7 12.889 0.162 -7.494 1.00 0.00 ATOM 45 N THR A 8 11.982 -0.811 -7.401 1.00 0.00 ATOM 46 CA THR A 8 11.980 -1.934 -8.335 1.00 0.00 ATOM 47 CB THR A 8 12.129 -3.275 -7.575 1.00 0.00 ATOM 48 CG2 THR A 8 10.872 -3.593 -6.778 1.00 0.00 ATOM 49 OG1 THR A 8 12.395 -4.350 -8.486 1.00 0.00 ATOM 50 O THR A 8 9.686 -1.392 -8.840 1.00 0.00 ATOM 51 C THR A 8 10.710 -1.982 -9.188 1.00 0.00 ATOM 52 N LEU A 9 10.800 -2.692 -10.309 1.00 0.00 ATOM 53 CA LEU A 9 9.659 -2.924 -11.183 1.00 0.00 ATOM 54 CB LEU A 9 9.892 -2.322 -12.569 1.00 0.00 ATOM 55 CG LEU A 9 10.200 -0.828 -12.606 1.00 0.00 ATOM 56 CD1 LEU A 9 11.699 -0.586 -12.510 1.00 0.00 ATOM 57 CD2 LEU A 9 9.631 -0.210 -13.868 1.00 0.00 ATOM 58 O LEU A 9 8.748 -4.854 -12.274 1.00 0.00 ATOM 59 C LEU A 9 9.411 -4.419 -11.333 1.00 0.00 ATOM 60 N GLN A 10 9.945 -5.201 -10.399 1.00 0.00 ATOM 61 CA GLN A 10 9.819 -6.660 -10.444 1.00 0.00 ATOM 62 CB GLN A 10 10.412 -7.298 -9.180 1.00 0.00 ATOM 63 CG GLN A 10 10.306 -8.816 -9.154 1.00 0.00 ATOM 64 CD GLN A 10 11.141 -9.490 -10.229 1.00 0.00 ATOM 65 OE1 GLN A 10 12.304 -9.830 -10.005 1.00 0.00 ATOM 66 NE2 GLN A 10 10.553 -9.696 -11.397 1.00 0.00 ATOM 67 O GLN A 10 8.103 -7.933 -11.535 1.00 0.00 ATOM 68 C GLN A 10 8.362 -7.120 -10.647 1.00 0.00 ATOM 69 N PRO A 11 7.384 -6.622 -9.848 1.00 0.00 ATOM 70 CA PRO A 11 5.968 -6.991 -10.022 1.00 0.00 ATOM 71 CB PRO A 11 5.246 -6.213 -8.916 1.00 0.00 ATOM 72 CG PRO A 11 6.304 -5.902 -7.915 1.00 0.00 ATOM 73 CD PRO A 11 7.559 -5.700 -8.708 1.00 0.00 ATOM 74 O PRO A 11 4.489 -7.221 -11.908 1.00 0.00 ATOM 75 C PRO A 11 5.423 -6.597 -11.397 1.00 0.00 ATOM 76 N VAL A 12 6.017 -5.573 -12.001 1.00 0.00 ATOM 77 CA VAL A 12 5.602 -5.118 -13.321 1.00 0.00 ATOM 78 CB VAL A 12 6.154 -3.716 -13.650 1.00 0.00 ATOM 79 CG1 VAL A 12 5.665 -3.241 -15.012 1.00 0.00 ATOM 80 CG2 VAL A 12 5.776 -2.724 -12.566 1.00 0.00 ATOM 81 O VAL A 12 5.316 -6.530 -15.229 1.00 0.00 ATOM 82 C VAL A 12 6.085 -6.099 -14.378 1.00 0.00 ATOM 83 N TRP A 13 7.364 -6.456 -14.300 1.00 0.00 ATOM 84 CA TRP A 13 7.944 -7.431 -15.214 1.00 0.00 ATOM 85 CB TRP A 13 9.449 -7.571 -14.980 1.00 0.00 ATOM 86 CG TRP A 13 10.219 -6.306 -15.208 1.00 0.00 ATOM 87 CD1 TRP A 13 11.254 -5.841 -14.453 1.00 0.00 ATOM 88 CD2 TRP A 13 10.012 -5.339 -16.248 1.00 0.00 ATOM 89 CE2 TRP A 13 10.964 -4.319 -16.060 1.00 0.00 ATOM 90 CE3 TRP A 13 9.114 -5.234 -17.316 1.00 0.00 ATOM 91 NE1 TRP A 13 11.712 -4.651 -14.961 1.00 0.00 ATOM 92 CZ2 TRP A 13 11.049 -3.216 -16.907 1.00 0.00 ATOM 93 CZ3 TRP A 13 9.200 -4.138 -18.152 1.00 0.00 ATOM 94 CH2 TRP A 13 10.158 -3.141 -17.942 1.00 0.00 ATOM 95 O TRP A 13 7.034 -9.499 -16.021 1.00 0.00 ATOM 96 C TRP A 13 7.261 -8.781 -15.046 1.00 0.00 ATOM 97 N ASP A 14 6.938 -9.108 -13.799 1.00 0.00 ATOM 98 CA ASP A 14 6.167 -10.305 -13.480 1.00 0.00 ATOM 99 CB ASP A 14 5.812 -10.306 -11.988 1.00 0.00 ATOM 100 CG ASP A 14 4.890 -11.441 -11.587 1.00 0.00 ATOM 101 OD1 ASP A 14 3.659 -11.294 -11.741 1.00 0.00 ATOM 102 OD2 ASP A 14 5.388 -12.474 -11.093 1.00 0.00 ATOM 103 O ASP A 14 4.646 -11.325 -15.038 1.00 0.00 ATOM 104 C ASP A 14 4.897 -10.356 -14.324 1.00 0.00 ATOM 105 N ARG A 15 4.117 -9.287 -14.261 1.00 0.00 ATOM 106 CA ARG A 15 2.875 -9.195 -15.017 1.00 0.00 ATOM 107 CB ARG A 15 2.066 -7.982 -14.552 1.00 0.00 ATOM 108 CG ARG A 15 0.867 -7.683 -15.435 1.00 0.00 ATOM 109 CD ARG A 15 0.101 -6.465 -14.956 1.00 0.00 ATOM 110 NE ARG A 15 -0.833 -5.985 -15.971 1.00 0.00 ATOM 111 CZ ARG A 15 -1.797 -5.100 -15.738 1.00 0.00 ATOM 112 NH1 ARG A 15 -1.979 -4.622 -14.516 1.00 0.00 ATOM 113 NH2 ARG A 15 -2.576 -4.676 -16.727 1.00 0.00 ATOM 114 O ARG A 15 2.567 -9.840 -17.308 1.00 0.00 ATOM 115 C ARG A 15 3.142 -9.095 -16.520 1.00 0.00 ATOM 116 N TYR A 16 4.031 -8.182 -16.896 1.00 0.00 ATOM 117 CA TYR A 16 4.295 -7.879 -18.300 1.00 0.00 ATOM 118 CB TYR A 16 5.369 -6.792 -18.409 1.00 0.00 ATOM 119 CG TYR A 16 5.594 -6.284 -19.817 1.00 0.00 ATOM 120 CD1 TYR A 16 6.758 -6.592 -20.509 1.00 0.00 ATOM 121 CD2 TYR A 16 4.642 -5.495 -20.451 1.00 0.00 ATOM 122 CE1 TYR A 16 6.967 -6.128 -21.795 1.00 0.00 ATOM 123 CE2 TYR A 16 4.843 -5.029 -21.736 1.00 0.00 ATOM 124 CZ TYR A 16 6.007 -5.348 -22.403 1.00 0.00 ATOM 125 OH TYR A 16 6.211 -4.889 -23.684 1.00 0.00 ATOM 126 O TYR A 16 4.210 -9.395 -20.159 1.00 0.00 ATOM 127 C TYR A 16 4.723 -9.122 -19.074 1.00 0.00 ATOM 128 N ASP A 17 5.651 -9.886 -18.516 1.00 0.00 ATOM 129 CA ASP A 17 6.129 -11.082 -19.196 1.00 0.00 ATOM 130 CB ASP A 17 7.491 -11.533 -18.663 1.00 0.00 ATOM 131 CG ASP A 17 8.635 -10.718 -19.243 1.00 0.00 ATOM 132 OD1 ASP A 17 9.326 -10.021 -18.471 1.00 0.00 ATOM 133 OD2 ASP A 17 8.839 -10.761 -20.481 1.00 0.00 ATOM 134 O ASP A 17 5.118 -13.119 -19.931 1.00 0.00 ATOM 135 C ASP A 17 5.107 -12.210 -19.113 1.00 0.00 ATOM 136 N THR A 18 4.211 -12.154 -18.143 1.00 0.00 ATOM 137 CA THR A 18 3.104 -13.101 -18.110 1.00 0.00 ATOM 138 CB THR A 18 2.362 -13.079 -16.754 1.00 0.00 ATOM 139 CG2 THR A 18 1.206 -14.070 -16.743 1.00 0.00 ATOM 140 OG1 THR A 18 3.266 -13.395 -15.688 1.00 0.00 ATOM 141 O THR A 18 1.614 -13.666 -19.916 1.00 0.00 ATOM 142 C THR A 18 2.123 -12.775 -19.238 1.00 0.00 ATOM 143 N GLN A 19 1.901 -11.486 -19.451 1.00 0.00 ATOM 144 CA GLN A 19 0.958 -11.010 -20.456 1.00 0.00 ATOM 145 CB GLN A 19 0.669 -9.533 -20.227 1.00 0.00 ATOM 146 CG GLN A 19 -0.769 -9.241 -19.831 1.00 0.00 ATOM 147 CD GLN A 19 -1.768 -9.661 -20.890 1.00 0.00 ATOM 148 OE1 GLN A 19 -2.273 -10.788 -20.878 1.00 0.00 ATOM 149 NE2 GLN A 19 -2.062 -8.759 -21.814 1.00 0.00 ATOM 150 O GLN A 19 0.878 -11.915 -22.670 1.00 0.00 ATOM 151 C GLN A 19 1.476 -11.204 -21.870 1.00 0.00 ATOM 152 N ILE A 20 2.589 -10.559 -22.161 1.00 0.00 ATOM 153 CA ILE A 20 3.188 -10.579 -23.489 1.00 0.00 ATOM 154 CB ILE A 20 4.514 -9.801 -23.459 1.00 0.00 ATOM 155 CG1 ILE A 20 4.250 -8.313 -23.224 1.00 0.00 ATOM 156 CG2 ILE A 20 5.321 -10.008 -24.737 1.00 0.00 ATOM 157 CD1 ILE A 20 3.347 -7.676 -24.262 1.00 0.00 ATOM 158 O ILE A 20 3.319 -12.285 -25.179 1.00 0.00 ATOM 159 C ILE A 20 3.434 -12.004 -23.987 1.00 0.00 ATOM 160 N HIS A 21 3.758 -12.900 -23.067 1.00 0.00 ATOM 161 CA HIS A 21 4.104 -14.267 -23.434 1.00 0.00 ATOM 162 CB HIS A 21 5.143 -14.838 -22.464 1.00 0.00 ATOM 163 CG HIS A 21 6.437 -14.074 -22.441 1.00 0.00 ATOM 164 CD2 HIS A 21 6.677 -12.744 -22.334 1.00 0.00 ATOM 165 ND1 HIS A 21 7.670 -14.678 -22.484 1.00 0.00 ATOM 166 CE1 HIS A 21 8.613 -13.757 -22.404 1.00 0.00 ATOM 167 NE2 HIS A 21 8.040 -12.568 -22.309 1.00 0.00 ATOM 168 O HIS A 21 2.783 -16.092 -24.262 1.00 0.00 ATOM 169 C HIS A 21 2.861 -15.153 -23.470 1.00 0.00 ATOM 170 N ASN A 22 1.890 -14.851 -22.621 1.00 0.00 ATOM 171 CA ASN A 22 0.625 -15.574 -22.628 1.00 0.00 ATOM 172 CB ASN A 22 0.338 -16.212 -21.263 1.00 0.00 ATOM 173 CG ASN A 22 -0.863 -17.144 -21.303 1.00 0.00 ATOM 174 ND2 ASN A 22 -1.583 -17.253 -20.195 1.00 0.00 ATOM 175 OD1 ASN A 22 -1.147 -17.763 -22.328 1.00 0.00 ATOM 176 O ASN A 22 -1.333 -14.239 -22.179 1.00 0.00 ATOM 177 C ASN A 22 -0.506 -14.625 -23.013 1.00 0.00 ATOM 178 N GLN A 23 -0.505 -14.225 -24.278 1.00 0.00 ATOM 179 CA GLN A 23 -1.484 -13.279 -24.788 1.00 0.00 ATOM 180 CB GLN A 23 -1.042 -12.738 -26.146 1.00 0.00 ATOM 181 CG GLN A 23 0.109 -11.751 -26.059 1.00 0.00 ATOM 182 CD GLN A 23 0.620 -11.330 -27.420 1.00 0.00 ATOM 183 OE1 GLN A 23 0.123 -10.371 -28.017 1.00 0.00 ATOM 184 NE2 GLN A 23 1.629 -12.033 -27.910 1.00 0.00 ATOM 185 O GLN A 23 -3.000 -15.088 -25.247 1.00 0.00 ATOM 186 C GLN A 23 -2.862 -13.916 -24.885 1.00 0.00 ATOM 187 N LYS A 24 -3.877 -13.129 -24.576 1.00 0.00 ATOM 188 CA LYS A 24 -5.232 -13.636 -24.447 1.00 0.00 ATOM 189 CB LYS A 24 -5.735 -13.360 -23.028 1.00 0.00 ATOM 190 CG LYS A 24 -4.801 -13.871 -21.940 1.00 0.00 ATOM 191 CD LYS A 24 -5.250 -13.418 -20.563 1.00 0.00 ATOM 192 CE LYS A 24 -4.256 -13.824 -19.486 1.00 0.00 ATOM 193 NZ LYS A 24 -2.903 -13.248 -19.721 1.00 0.00 ATOM 194 O LYS A 24 -5.746 -12.116 -26.244 1.00 0.00 ATOM 195 C LYS A 24 -6.162 -12.981 -25.466 1.00 0.00 ATOM 196 N ASP A 25 -7.417 -13.403 -25.449 1.00 0.00 ATOM 197 CA ASP A 25 -8.449 -12.820 -26.294 1.00 0.00 ATOM 198 CB ASP A 25 -8.850 -13.784 -27.421 1.00 0.00 ATOM 199 CG ASP A 25 -9.875 -13.189 -28.369 1.00 0.00 ATOM 200 OD1 ASP A 25 -9.477 -12.442 -29.288 1.00 0.00 ATOM 201 OD2 ASP A 25 -11.078 -13.481 -28.216 1.00 0.00 ATOM 202 O ASP A 25 -10.595 -13.257 -25.294 1.00 0.00 ATOM 203 C ASP A 25 -9.651 -12.474 -25.426 1.00 0.00 ATOM 204 N ASN A 26 -9.586 -11.312 -24.798 1.00 0.00 ATOM 205 CA ASN A 26 -10.578 -10.918 -23.810 1.00 0.00 ATOM 206 CB ASN A 26 -10.332 -11.688 -22.506 1.00 0.00 ATOM 207 CG ASN A 26 -11.261 -11.282 -21.381 1.00 0.00 ATOM 208 ND2 ASN A 26 -10.832 -10.325 -20.572 1.00 0.00 ATOM 209 OD1 ASN A 26 -12.350 -11.833 -21.233 1.00 0.00 ATOM 210 O ASN A 26 -9.407 -8.849 -23.548 1.00 0.00 ATOM 211 C ASN A 26 -10.498 -9.420 -23.557 1.00 0.00 ATOM 212 N ASP A 27 -11.643 -8.787 -23.361 1.00 0.00 ATOM 213 CA ASP A 27 -11.674 -7.362 -23.063 1.00 0.00 ATOM 214 CB ASP A 27 -12.665 -6.627 -23.971 1.00 0.00 ATOM 215 CG ASP A 27 -12.553 -5.113 -23.847 1.00 0.00 ATOM 216 OD1 ASP A 27 -12.818 -4.575 -22.755 1.00 0.00 ATOM 217 OD2 ASP A 27 -12.206 -4.451 -24.851 1.00 0.00 ATOM 218 O ASP A 27 -13.070 -7.634 -21.129 1.00 0.00 ATOM 219 C ASP A 27 -12.046 -7.143 -21.603 1.00 0.00 ATOM 220 N ASN A 28 -11.191 -6.429 -20.895 1.00 0.00 ATOM 221 CA ASN A 28 -11.430 -6.094 -19.497 1.00 0.00 ATOM 222 CB ASN A 28 -10.408 -6.812 -18.599 1.00 0.00 ATOM 223 CG ASN A 28 -8.966 -6.486 -18.958 1.00 0.00 ATOM 224 ND2 ASN A 28 -8.384 -5.515 -18.269 1.00 0.00 ATOM 225 OD1 ASN A 28 -8.375 -7.113 -19.837 1.00 0.00 ATOM 226 O ASN A 28 -10.939 -4.090 -18.258 1.00 0.00 ATOM 227 C ASN A 28 -11.344 -4.583 -19.316 1.00 0.00 ATOM 228 N GLU A 29 -11.762 -3.863 -20.361 1.00 0.00 ATOM 229 CA GLU A 29 -11.628 -2.410 -20.435 1.00 0.00 ATOM 230 CB GLU A 29 -12.364 -1.715 -19.290 1.00 0.00 ATOM 231 CG GLU A 29 -13.875 -1.862 -19.362 1.00 0.00 ATOM 232 CD GLU A 29 -14.589 -0.967 -18.379 1.00 0.00 ATOM 233 OE1 GLU A 29 -14.742 -1.369 -17.209 1.00 0.00 ATOM 234 OE2 GLU A 29 -14.996 0.149 -18.769 1.00 0.00 ATOM 235 O GLU A 29 -9.734 -1.054 -19.822 1.00 0.00 ATOM 236 C GLU A 29 -10.160 -2.017 -20.463 1.00 0.00 ATOM 237 N VAL A 30 -9.395 -2.782 -21.221 1.00 0.00 ATOM 238 CA VAL A 30 -7.992 -2.492 -21.442 1.00 0.00 ATOM 239 CB VAL A 30 -7.236 -3.760 -21.924 1.00 0.00 ATOM 240 CG1 VAL A 30 -7.876 -4.339 -23.178 1.00 0.00 ATOM 241 CG2 VAL A 30 -5.763 -3.474 -22.163 1.00 0.00 ATOM 242 O VAL A 30 -8.607 -1.324 -23.442 1.00 0.00 ATOM 243 C VAL A 30 -7.860 -1.361 -22.462 1.00 0.00 ATOM 244 N PRO A 31 -6.959 -0.394 -22.213 1.00 0.00 ATOM 245 CA PRO A 31 -6.733 0.731 -23.129 1.00 0.00 ATOM 246 CB PRO A 31 -5.563 1.487 -22.495 1.00 0.00 ATOM 247 CG PRO A 31 -5.595 1.110 -21.055 1.00 0.00 ATOM 248 CD PRO A 31 -6.107 -0.302 -21.010 1.00 0.00 ATOM 249 O PRO A 31 -5.246 -0.127 -24.816 1.00 0.00 ATOM 250 C PRO A 31 -6.374 0.281 -24.547 1.00 0.00 ATOM 251 N VAL A 32 -7.351 0.342 -25.441 1.00 0.00 ATOM 252 CA VAL A 32 -7.145 -0.008 -26.834 1.00 0.00 ATOM 253 CB VAL A 32 -8.164 -1.057 -27.327 1.00 0.00 ATOM 254 CG1 VAL A 32 -7.910 -1.407 -28.785 1.00 0.00 ATOM 255 CG2 VAL A 32 -8.116 -2.310 -26.469 1.00 0.00 ATOM 256 O VAL A 32 -8.323 1.842 -27.797 1.00 0.00 ATOM 257 C VAL A 32 -7.255 1.234 -27.692 1.00 0.00 ATOM 258 N HIS A 33 -6.146 1.617 -28.284 1.00 0.00 ATOM 259 CA HIS A 33 -6.095 2.815 -29.096 1.00 0.00 ATOM 260 CB HIS A 33 -5.672 4.004 -28.233 1.00 0.00 ATOM 261 CG HIS A 33 -6.461 5.241 -28.495 1.00 0.00 ATOM 262 CD2 HIS A 33 -7.788 5.467 -28.392 1.00 0.00 ATOM 263 ND1 HIS A 33 -5.897 6.434 -28.886 1.00 0.00 ATOM 264 CE1 HIS A 33 -6.847 7.342 -29.012 1.00 0.00 ATOM 265 NE2 HIS A 33 -8.006 6.783 -28.717 1.00 0.00 ATOM 266 O HIS A 33 -4.195 1.814 -30.137 1.00 0.00 ATOM 267 C HIS A 33 -5.111 2.629 -30.235 1.00 0.00 ATOM 268 N GLN A 34 -5.306 3.368 -31.314 1.00 0.00 ATOM 269 CA GLN A 34 -4.353 3.361 -32.407 1.00 0.00 ATOM 270 CB GLN A 34 -4.995 3.859 -33.703 1.00 0.00 ATOM 271 CG GLN A 34 -6.075 2.934 -34.232 1.00 0.00 ATOM 272 CD GLN A 34 -6.610 3.378 -35.576 1.00 0.00 ATOM 273 OE1 GLN A 34 -6.083 3.001 -36.622 1.00 0.00 ATOM 274 NE2 GLN A 34 -7.668 4.171 -35.557 1.00 0.00 ATOM 275 O GLN A 34 -3.281 5.443 -31.898 1.00 0.00 ATOM 276 C GLN A 34 -3.162 4.223 -32.029 1.00 0.00 ATOM 277 N VAL A 35 -2.026 3.578 -31.826 1.00 0.00 ATOM 278 CA VAL A 35 -0.843 4.260 -31.338 1.00 0.00 ATOM 279 CB VAL A 35 0.192 3.270 -30.762 1.00 0.00 ATOM 280 CG1 VAL A 35 1.353 4.013 -30.119 1.00 0.00 ATOM 281 CG2 VAL A 35 -0.465 2.339 -29.755 1.00 0.00 ATOM 282 O VAL A 35 0.555 4.599 -33.265 1.00 0.00 ATOM 283 C VAL A 35 -0.211 5.095 -32.441 1.00 0.00 ATOM 284 N SER A 36 -0.593 6.354 -32.478 1.00 0.00 ATOM 285 CA SER A 36 -0.002 7.306 -33.393 1.00 0.00 ATOM 286 CB SER A 36 -1.050 8.330 -33.831 1.00 0.00 ATOM 287 OG SER A 36 -0.525 9.216 -34.807 1.00 0.00 ATOM 288 O SER A 36 1.322 7.867 -31.487 1.00 0.00 ATOM 289 C SER A 36 1.172 7.986 -32.704 1.00 0.00 ATOM 290 N TYR A 37 1.991 8.706 -33.466 1.00 0.00 ATOM 291 CA TYR A 37 3.192 9.340 -32.925 1.00 0.00 ATOM 292 CB TYR A 37 3.925 10.112 -34.028 1.00 0.00 ATOM 293 CG TYR A 37 5.356 10.459 -33.685 1.00 0.00 ATOM 294 CD1 TYR A 37 5.715 11.746 -33.308 1.00 0.00 ATOM 295 CD2 TYR A 37 6.351 9.491 -33.739 1.00 0.00 ATOM 296 CE1 TYR A 37 7.025 12.058 -32.993 1.00 0.00 ATOM 297 CE2 TYR A 37 7.661 9.795 -33.427 1.00 0.00 ATOM 298 CZ TYR A 37 7.994 11.079 -33.056 1.00 0.00 ATOM 299 OH TYR A 37 9.299 11.383 -32.736 1.00 0.00 ATOM 300 O TYR A 37 3.568 10.365 -30.780 1.00 0.00 ATOM 301 C TYR A 37 2.836 10.271 -31.764 1.00 0.00 ATOM 302 N THR A 38 1.685 10.927 -31.876 1.00 0.00 ATOM 303 CA THR A 38 1.203 11.823 -30.834 1.00 0.00 ATOM 304 CB THR A 38 -0.048 12.583 -31.309 1.00 0.00 ATOM 305 CG2 THR A 38 -0.259 13.855 -30.500 1.00 0.00 ATOM 306 OG1 THR A 38 0.082 12.912 -32.698 1.00 0.00 ATOM 307 O THR A 38 1.027 11.545 -28.450 1.00 0.00 ATOM 308 C THR A 38 0.852 11.049 -29.560 1.00 0.00 ATOM 309 N ASN A 39 0.379 9.817 -29.731 1.00 0.00 ATOM 310 CA ASN A 39 -0.084 9.005 -28.608 1.00 0.00 ATOM 311 CB ASN A 39 -0.887 7.795 -29.102 1.00 0.00 ATOM 312 CG ASN A 39 -2.391 8.014 -29.020 1.00 0.00 ATOM 313 ND2 ASN A 39 -2.821 9.264 -29.112 1.00 0.00 ATOM 314 OD1 ASN A 39 -3.161 7.064 -28.872 1.00 0.00 ATOM 315 O ASN A 39 0.916 8.381 -26.529 1.00 0.00 ATOM 316 C ASN A 39 1.077 8.551 -27.738 1.00 0.00 ATOM 317 N LEU A 40 2.248 8.364 -28.345 1.00 0.00 ATOM 318 CA LEU A 40 3.439 7.993 -27.584 1.00 0.00 ATOM 319 CB LEU A 40 4.679 7.864 -28.487 1.00 0.00 ATOM 320 CG LEU A 40 4.823 6.549 -29.262 1.00 0.00 ATOM 321 CD1 LEU A 40 4.655 5.353 -28.338 1.00 0.00 ATOM 322 CD2 LEU A 40 3.837 6.482 -30.415 1.00 0.00 ATOM 323 O LEU A 40 3.787 8.687 -25.316 1.00 0.00 ATOM 324 C LEU A 40 3.715 9.022 -26.498 1.00 0.00 ATOM 325 N ALA A 41 3.831 10.279 -26.907 1.00 0.00 ATOM 326 CA ALA A 41 4.151 11.365 -25.990 1.00 0.00 ATOM 327 CB ALA A 41 4.260 12.679 -26.748 1.00 0.00 ATOM 328 O ALA A 41 3.464 11.771 -23.727 1.00 0.00 ATOM 329 C ALA A 41 3.115 11.483 -24.873 1.00 0.00 ATOM 330 N GLU A 42 1.851 11.239 -25.210 1.00 0.00 ATOM 331 CA GLU A 42 0.762 11.324 -24.240 1.00 0.00 ATOM 332 CB GLU A 42 -0.575 11.001 -24.906 1.00 0.00 ATOM 333 CG GLU A 42 -1.037 12.070 -25.879 1.00 0.00 ATOM 334 CD GLU A 42 -1.199 13.421 -25.216 1.00 0.00 ATOM 335 OE1 GLU A 42 -2.089 13.560 -24.351 1.00 0.00 ATOM 336 OE2 GLU A 42 -0.437 14.350 -25.557 1.00 0.00 ATOM 337 O GLU A 42 1.021 10.838 -21.906 1.00 0.00 ATOM 338 C GLU A 42 0.990 10.391 -23.055 1.00 0.00 ATOM 339 N MET A 43 1.166 9.107 -23.334 1.00 0.00 ATOM 340 CA MET A 43 1.351 8.124 -22.273 1.00 0.00 ATOM 341 CB MET A 43 1.113 6.699 -22.786 1.00 0.00 ATOM 342 CG MET A 43 -0.330 6.231 -22.646 1.00 0.00 ATOM 343 SD MET A 43 -1.466 7.040 -23.794 1.00 0.00 ATOM 344 CE MET A 43 -1.006 6.252 -25.337 1.00 0.00 ATOM 345 O MET A 43 2.893 8.031 -20.444 1.00 0.00 ATOM 346 C MET A 43 2.737 8.234 -21.645 1.00 0.00 ATOM 347 N VAL A 44 3.740 8.563 -22.452 1.00 0.00 ATOM 348 CA VAL A 44 5.103 8.706 -21.948 1.00 0.00 ATOM 349 CB VAL A 44 6.120 8.916 -23.101 1.00 0.00 ATOM 350 CG1 VAL A 44 7.485 9.320 -22.567 1.00 0.00 ATOM 351 CG2 VAL A 44 6.248 7.648 -23.932 1.00 0.00 ATOM 352 O VAL A 44 5.890 9.766 -19.935 1.00 0.00 ATOM 353 C VAL A 44 5.195 9.863 -20.950 1.00 0.00 ATOM 354 N GLY A 45 4.472 10.941 -21.234 1.00 0.00 ATOM 355 CA GLY A 45 4.497 12.111 -20.375 1.00 0.00 ATOM 356 O GLY A 45 4.766 12.115 -17.998 1.00 0.00 ATOM 357 C GLY A 45 4.051 11.813 -18.956 1.00 0.00 ATOM 358 N GLU A 46 2.877 11.204 -18.817 1.00 0.00 ATOM 359 CA GLU A 46 2.338 10.887 -17.500 1.00 0.00 ATOM 360 CB GLU A 46 0.854 10.518 -17.600 1.00 0.00 ATOM 361 CG GLU A 46 0.562 9.362 -18.542 1.00 0.00 ATOM 362 CD GLU A 46 -0.921 9.084 -18.672 1.00 0.00 ATOM 363 OE1 GLU A 46 -1.588 9.770 -19.472 1.00 0.00 ATOM 364 OE2 GLU A 46 -1.426 8.177 -17.977 1.00 0.00 ATOM 365 O GLU A 46 3.261 9.710 -15.623 1.00 0.00 ATOM 366 C GLU A 46 3.133 9.761 -16.844 1.00 0.00 ATOM 367 N MET A 47 3.687 8.882 -17.669 1.00 0.00 ATOM 368 CA MET A 47 4.463 7.749 -17.183 1.00 0.00 ATOM 369 CB MET A 47 4.878 6.863 -18.361 1.00 0.00 ATOM 370 CG MET A 47 5.339 5.466 -17.971 1.00 0.00 ATOM 371 SD MET A 47 3.987 4.269 -17.873 1.00 0.00 ATOM 372 CE MET A 47 3.094 4.826 -16.424 1.00 0.00 ATOM 373 O MET A 47 6.035 7.694 -15.367 1.00 0.00 ATOM 374 C MET A 47 5.703 8.225 -16.426 1.00 0.00 ATOM 375 N ASN A 48 6.370 9.240 -16.967 1.00 0.00 ATOM 376 CA ASN A 48 7.590 9.765 -16.356 1.00 0.00 ATOM 377 CB ASN A 48 8.299 10.752 -17.291 1.00 0.00 ATOM 378 CG ASN A 48 9.154 10.068 -18.343 1.00 0.00 ATOM 379 ND2 ASN A 48 8.581 9.807 -19.506 1.00 0.00 ATOM 380 OD1 ASN A 48 10.327 9.781 -18.115 1.00 0.00 ATOM 381 O ASN A 48 7.988 10.206 -14.034 1.00 0.00 ATOM 382 C ASN A 48 7.301 10.449 -15.025 1.00 0.00 ATOM 383 N LYS A 49 6.260 11.278 -14.994 1.00 0.00 ATOM 384 CA LYS A 49 5.957 12.082 -13.809 1.00 0.00 ATOM 385 CB LYS A 49 4.997 13.231 -14.168 1.00 0.00 ATOM 386 CG LYS A 49 3.640 12.791 -14.705 1.00 0.00 ATOM 387 CD LYS A 49 2.600 12.659 -13.598 1.00 0.00 ATOM 388 CE LYS A 49 2.318 14.001 -12.936 1.00 0.00 ATOM 389 NZ LYS A 49 1.343 13.881 -11.820 1.00 0.00 ATOM 390 O LYS A 49 5.147 11.721 -11.572 1.00 0.00 ATOM 391 C LYS A 49 5.398 11.225 -12.672 1.00 0.00 ATOM 392 N LEU A 50 5.208 9.938 -12.936 1.00 0.00 ATOM 393 CA LEU A 50 4.751 9.007 -11.912 1.00 0.00 ATOM 394 CB LEU A 50 3.841 7.935 -12.524 1.00 0.00 ATOM 395 CG LEU A 50 2.462 8.424 -12.968 1.00 0.00 ATOM 396 CD1 LEU A 50 1.681 7.295 -13.625 1.00 0.00 ATOM 397 CD2 LEU A 50 1.687 8.988 -11.784 1.00 0.00 ATOM 398 O LEU A 50 5.811 7.895 -10.073 1.00 0.00 ATOM 399 C LEU A 50 5.931 8.339 -11.212 1.00 0.00 ATOM 400 N LEU A 51 7.073 8.287 -11.890 1.00 0.00 ATOM 401 CA LEU A 51 8.236 7.566 -11.375 1.00 0.00 ATOM 402 CB LEU A 51 8.843 6.702 -12.482 1.00 0.00 ATOM 403 CG LEU A 51 8.017 5.473 -12.867 1.00 0.00 ATOM 404 CD1 LEU A 51 8.597 4.806 -14.104 1.00 0.00 ATOM 405 CD2 LEU A 51 7.975 4.488 -11.709 1.00 0.00 ATOM 406 O LEU A 51 10.134 8.104 -10.003 1.00 0.00 ATOM 407 C LEU A 51 9.292 8.510 -10.804 1.00 0.00 ATOM 408 N GLU A 52 9.236 9.770 -11.208 1.00 0.00 ATOM 409 CA GLU A 52 10.186 10.776 -10.733 1.00 0.00 ATOM 410 CB GLU A 52 9.888 12.127 -11.369 1.00 0.00 ATOM 411 CG GLU A 52 10.265 12.185 -12.839 1.00 0.00 ATOM 412 CD GLU A 52 11.764 12.091 -13.081 1.00 0.00 ATOM 413 OE1 GLU A 52 12.347 13.077 -13.579 1.00 0.00 ATOM 414 OE2 GLU A 52 12.366 11.034 -12.788 1.00 0.00 ATOM 415 O GLU A 52 11.322 11.023 -8.632 1.00 0.00 ATOM 416 C GLU A 52 10.232 10.902 -9.196 1.00 0.00 ATOM 417 N PRO A 53 9.081 10.892 -8.479 1.00 0.00 ATOM 418 CA PRO A 53 9.082 10.989 -7.008 1.00 0.00 ATOM 419 CB PRO A 53 7.628 11.327 -6.683 1.00 0.00 ATOM 420 CG PRO A 53 6.845 10.710 -7.786 1.00 0.00 ATOM 421 CD PRO A 53 7.702 10.828 -9.015 1.00 0.00 ATOM 422 O PRO A 53 9.308 9.554 -5.090 1.00 0.00 ATOM 423 C PRO A 53 9.496 9.691 -6.299 1.00 0.00 ATOM 424 N SER A 54 10.062 8.747 -7.039 1.00 0.00 ATOM 425 CA SER A 54 10.504 7.490 -6.451 1.00 0.00 ATOM 426 CB SER A 54 9.656 6.327 -6.982 1.00 0.00 ATOM 427 OG SER A 54 9.935 6.058 -8.346 1.00 0.00 ATOM 428 O SER A 54 12.663 8.131 -7.293 1.00 0.00 ATOM 429 C SER A 54 11.979 7.252 -6.761 1.00 0.00 ATOM 430 N GLN A 55 12.467 6.065 -6.423 1.00 0.00 ATOM 431 CA GLN A 55 13.834 5.684 -6.747 1.00 0.00 ATOM 432 CB GLN A 55 14.367 4.647 -5.758 1.00 0.00 ATOM 433 CG GLN A 55 15.016 5.238 -4.520 1.00 0.00 ATOM 434 CD GLN A 55 14.065 6.062 -3.677 1.00 0.00 ATOM 435 OE1 GLN A 55 13.933 7.269 -3.865 1.00 0.00 ATOM 436 NE2 GLN A 55 13.401 5.416 -2.734 1.00 0.00 ATOM 437 O GLN A 55 14.975 4.986 -8.733 1.00 0.00 ATOM 438 C GLN A 55 13.897 5.115 -8.153 1.00 0.00 ATOM 439 N VAL A 56 12.735 4.783 -8.698 1.00 0.00 ATOM 440 CA VAL A 56 12.657 4.223 -10.032 1.00 0.00 ATOM 441 CB VAL A 56 11.313 3.499 -10.273 1.00 0.00 ATOM 442 CG1 VAL A 56 11.325 2.768 -11.606 1.00 0.00 ATOM 443 CG2 VAL A 56 11.001 2.540 -9.137 1.00 0.00 ATOM 444 O VAL A 56 11.855 5.781 -11.682 1.00 0.00 ATOM 445 C VAL A 56 12.823 5.332 -11.069 1.00 0.00 ATOM 446 N HIS A 57 14.044 5.812 -11.230 1.00 0.00 ATOM 447 CA HIS A 57 14.300 6.867 -12.191 1.00 0.00 ATOM 448 CB HIS A 57 15.444 7.781 -11.748 1.00 0.00 ATOM 449 CG HIS A 57 15.033 8.775 -10.708 1.00 0.00 ATOM 450 CD2 HIS A 57 15.195 8.770 -9.365 1.00 0.00 ATOM 451 ND1 HIS A 57 14.349 9.937 -11.004 1.00 0.00 ATOM 452 CE1 HIS A 57 14.112 10.599 -9.890 1.00 0.00 ATOM 453 NE2 HIS A 57 14.613 9.914 -8.878 1.00 0.00 ATOM 454 O HIS A 57 15.722 6.121 -13.976 1.00 0.00 ATOM 455 C HIS A 57 14.573 6.284 -13.561 1.00 0.00 ATOM 456 N LEU A 58 13.500 5.923 -14.238 1.00 0.00 ATOM 457 CA LEU A 58 13.589 5.457 -15.605 1.00 0.00 ATOM 458 CB LEU A 58 12.500 4.427 -15.903 1.00 0.00 ATOM 459 CG LEU A 58 12.535 3.170 -15.036 1.00 0.00 ATOM 460 CD1 LEU A 58 11.421 2.223 -15.443 1.00 0.00 ATOM 461 CD2 LEU A 58 13.891 2.483 -15.141 1.00 0.00 ATOM 462 O LEU A 58 12.602 7.505 -16.354 1.00 0.00 ATOM 463 C LEU A 58 13.455 6.637 -16.550 1.00 0.00 ATOM 464 N LYS A 59 14.310 6.687 -17.547 1.00 0.00 ATOM 465 CA LYS A 59 14.245 7.736 -18.540 1.00 0.00 ATOM 466 CB LYS A 59 15.598 8.442 -18.649 1.00 0.00 ATOM 467 CG LYS A 59 16.009 9.107 -17.341 1.00 0.00 ATOM 468 CD LYS A 59 17.349 9.815 -17.441 1.00 0.00 ATOM 469 CE LYS A 59 18.492 8.848 -17.700 1.00 0.00 ATOM 470 NZ LYS A 59 19.814 9.482 -17.456 1.00 0.00 ATOM 471 O LYS A 59 14.555 6.417 -20.518 1.00 0.00 ATOM 472 C LYS A 59 13.806 7.142 -19.864 1.00 0.00 ATOM 473 N PHE A 60 12.562 7.415 -20.220 1.00 0.00 ATOM 474 CA PHE A 60 11.963 6.836 -21.409 1.00 0.00 ATOM 475 CB PHE A 60 10.436 6.842 -21.287 1.00 0.00 ATOM 476 CG PHE A 60 9.915 6.029 -20.131 1.00 0.00 ATOM 477 CD1 PHE A 60 9.627 6.632 -18.915 1.00 0.00 ATOM 478 CD2 PHE A 60 9.709 4.666 -20.263 1.00 0.00 ATOM 479 CE1 PHE A 60 9.143 5.890 -17.854 1.00 0.00 ATOM 480 CE2 PHE A 60 9.225 3.918 -19.204 1.00 0.00 ATOM 481 CZ PHE A 60 8.941 4.533 -18.000 1.00 0.00 ATOM 482 O PHE A 60 12.290 8.825 -22.711 1.00 0.00 ATOM 483 C PHE A 60 12.393 7.598 -22.652 1.00 0.00 ATOM 484 N GLU A 61 12.867 6.862 -23.642 1.00 0.00 ATOM 485 CA GLU A 61 13.326 7.455 -24.885 1.00 0.00 ATOM 486 CB GLU A 61 14.795 7.104 -25.116 1.00 0.00 ATOM 487 CG GLU A 61 15.765 8.104 -24.519 1.00 0.00 ATOM 488 CD GLU A 61 15.880 9.355 -25.359 1.00 0.00 ATOM 489 OE1 GLU A 61 16.670 9.349 -26.329 1.00 0.00 ATOM 490 OE2 GLU A 61 15.187 10.346 -25.066 1.00 0.00 ATOM 491 O GLU A 61 12.254 5.763 -26.197 1.00 0.00 ATOM 492 C GLU A 61 12.497 6.960 -26.057 1.00 0.00 ATOM 493 N LEU A 62 12.087 7.884 -26.906 1.00 0.00 ATOM 494 CA LEU A 62 11.348 7.538 -28.104 1.00 0.00 ATOM 495 CB LEU A 62 10.231 8.551 -28.366 1.00 0.00 ATOM 496 CG LEU A 62 9.312 8.222 -29.547 1.00 0.00 ATOM 497 CD1 LEU A 62 8.517 6.960 -29.269 1.00 0.00 ATOM 498 CD2 LEU A 62 8.374 9.387 -29.828 1.00 0.00 ATOM 499 O LEU A 62 12.916 8.523 -29.611 1.00 0.00 ATOM 500 C LEU A 62 12.303 7.510 -29.281 1.00 0.00 ATOM 501 N HIS A 63 12.455 6.354 -29.896 1.00 0.00 ATOM 502 CA HIS A 63 13.346 6.230 -31.032 1.00 0.00 ATOM 503 CB HIS A 63 14.650 5.536 -30.640 1.00 0.00 ATOM 504 CG HIS A 63 15.589 6.447 -29.913 1.00 0.00 ATOM 505 CD2 HIS A 63 15.837 6.595 -28.591 1.00 0.00 ATOM 506 ND1 HIS A 63 16.390 7.363 -30.555 1.00 0.00 ATOM 507 CE1 HIS A 63 17.093 8.033 -29.660 1.00 0.00 ATOM 508 NE2 HIS A 63 16.776 7.589 -28.458 1.00 0.00 ATOM 509 O HIS A 63 12.072 4.447 -32.010 1.00 0.00 ATOM 510 C HIS A 63 12.662 5.516 -32.178 1.00 0.00 ATOM 511 N ASP A 64 12.741 6.133 -33.336 1.00 0.00 ATOM 512 CA ASP A 64 12.059 5.652 -34.520 1.00 0.00 ATOM 513 CB ASP A 64 11.457 6.836 -35.283 1.00 0.00 ATOM 514 CG ASP A 64 12.507 7.801 -35.804 1.00 0.00 ATOM 515 OD1 ASP A 64 13.149 8.491 -34.979 1.00 0.00 ATOM 516 OD2 ASP A 64 12.685 7.889 -37.037 1.00 0.00 ATOM 517 O ASP A 64 14.194 5.211 -35.529 1.00 0.00 ATOM 518 C ASP A 64 13.015 4.867 -35.406 1.00 0.00 ATOM 519 N LYS A 65 12.506 3.797 -35.996 1.00 0.00 ATOM 520 CA LYS A 65 13.304 2.941 -36.855 1.00 0.00 ATOM 521 CB LYS A 65 13.931 1.799 -36.049 1.00 0.00 ATOM 522 CG LYS A 65 12.910 0.855 -35.427 1.00 0.00 ATOM 523 CD LYS A 65 13.558 -0.402 -34.868 1.00 0.00 ATOM 524 CE LYS A 65 14.090 -1.284 -35.986 1.00 0.00 ATOM 525 NZ LYS A 65 14.576 -2.594 -35.482 1.00 0.00 ATOM 526 O LYS A 65 11.431 1.723 -37.714 1.00 0.00 ATOM 527 C LYS A 65 12.453 2.357 -37.974 1.00 0.00 ATOM 528 N LEU A 66 12.877 2.594 -39.208 1.00 0.00 ATOM 529 CA LEU A 66 12.275 1.970 -40.385 1.00 0.00 ATOM 530 CB LEU A 66 12.464 0.444 -40.308 1.00 0.00 ATOM 531 CG LEU A 66 12.601 -0.289 -41.652 1.00 0.00 ATOM 532 CD1 LEU A 66 12.974 -1.746 -41.421 1.00 0.00 ATOM 533 CD2 LEU A 66 11.314 -0.196 -42.456 1.00 0.00 ATOM 534 O LEU A 66 10.444 3.280 -41.248 1.00 0.00 ATOM 535 C LEU A 66 10.788 2.342 -40.529 1.00 0.00 ATOM 536 N ASN A 67 9.918 1.619 -39.830 1.00 0.00 ATOM 537 CA ASN A 67 8.479 1.841 -39.912 1.00 0.00 ATOM 538 CB ASN A 67 7.803 0.638 -40.594 1.00 0.00 ATOM 539 CG ASN A 67 6.298 0.797 -40.764 1.00 0.00 ATOM 540 ND2 ASN A 67 5.523 0.246 -39.841 1.00 0.00 ATOM 541 OD1 ASN A 67 5.830 1.390 -41.738 1.00 0.00 ATOM 542 O ASN A 67 6.758 2.489 -38.364 1.00 0.00 ATOM 543 C ASN A 67 7.898 2.049 -38.519 1.00 0.00 ATOM 544 N GLU A 68 8.700 1.755 -37.501 1.00 0.00 ATOM 545 CA GLU A 68 8.219 1.791 -36.132 1.00 0.00 ATOM 546 CB GLU A 68 8.526 0.474 -35.410 1.00 0.00 ATOM 547 CG GLU A 68 8.026 -0.764 -36.133 1.00 0.00 ATOM 548 CD GLU A 68 6.558 -0.684 -36.492 1.00 0.00 ATOM 549 OE1 GLU A 68 6.208 -1.034 -37.637 1.00 0.00 ATOM 550 OE2 GLU A 68 5.750 -0.259 -35.640 1.00 0.00 ATOM 551 O GLU A 68 9.810 3.564 -35.823 1.00 0.00 ATOM 552 C GLU A 68 8.853 2.939 -35.363 1.00 0.00 ATOM 553 N TYR A 69 8.294 3.212 -34.199 1.00 0.00 ATOM 554 CA TYR A 69 8.853 4.170 -33.257 1.00 0.00 ATOM 555 CB TYR A 69 8.332 5.593 -33.516 1.00 0.00 ATOM 556 CG TYR A 69 6.976 5.656 -34.191 1.00 0.00 ATOM 557 CD1 TYR A 69 6.881 5.802 -35.570 1.00 0.00 ATOM 558 CD2 TYR A 69 5.798 5.571 -33.459 1.00 0.00 ATOM 559 CE1 TYR A 69 5.655 5.863 -36.199 1.00 0.00 ATOM 560 CE2 TYR A 69 4.565 5.633 -34.084 1.00 0.00 ATOM 561 CZ TYR A 69 4.501 5.778 -35.454 1.00 0.00 ATOM 562 OH TYR A 69 3.278 5.836 -36.079 1.00 0.00 ATOM 563 O TYR A 69 7.383 3.826 -31.397 1.00 0.00 ATOM 564 C TYR A 69 8.521 3.710 -31.848 1.00 0.00 ATOM 565 N TYR A 70 9.505 3.144 -31.170 1.00 0.00 ATOM 566 CA TYR A 70 9.261 2.497 -29.894 1.00 0.00 ATOM 567 CB TYR A 70 9.781 1.053 -29.916 1.00 0.00 ATOM 568 CG TYR A 70 11.287 0.928 -30.006 1.00 0.00 ATOM 569 CD1 TYR A 70 12.059 0.798 -28.860 1.00 0.00 ATOM 570 CD2 TYR A 70 11.936 0.931 -31.235 1.00 0.00 ATOM 571 CE1 TYR A 70 13.430 0.679 -28.933 1.00 0.00 ATOM 572 CE2 TYR A 70 13.311 0.813 -31.316 1.00 0.00 ATOM 573 CZ TYR A 70 14.053 0.686 -30.161 1.00 0.00 ATOM 574 OH TYR A 70 15.419 0.561 -30.229 1.00 0.00 ATOM 575 O TYR A 70 10.738 4.150 -28.964 1.00 0.00 ATOM 576 C TYR A 70 9.896 3.268 -28.750 1.00 0.00 ATOM 577 N VAL A 71 9.496 2.922 -27.538 1.00 0.00 ATOM 578 CA VAL A 71 10.017 3.565 -26.350 1.00 0.00 ATOM 579 CB VAL A 71 8.887 3.974 -25.379 1.00 0.00 ATOM 580 CG1 VAL A 71 9.448 4.731 -24.183 1.00 0.00 ATOM 581 CG2 VAL A 71 7.837 4.808 -26.100 1.00 0.00 ATOM 582 O VAL A 71 10.603 1.555 -25.168 1.00 0.00 ATOM 583 C VAL A 71 10.984 2.633 -25.635 1.00 0.00 ATOM 584 N LYS A 72 12.240 3.038 -25.578 1.00 0.00 ATOM 585 CA LYS A 72 13.247 2.273 -24.867 1.00 0.00 ATOM 586 CB LYS A 72 14.572 2.226 -25.642 1.00 0.00 ATOM 587 CG LYS A 72 15.093 3.586 -26.078 1.00 0.00 ATOM 588 CD LYS A 72 16.494 3.490 -26.667 1.00 0.00 ATOM 589 CE LYS A 72 16.561 2.510 -27.829 1.00 0.00 ATOM 590 NZ LYS A 72 17.926 2.427 -28.418 1.00 0.00 ATOM 591 O LYS A 72 13.562 4.075 -23.312 1.00 0.00 ATOM 592 C LYS A 72 13.450 2.858 -23.479 1.00 0.00 ATOM 593 N VAL A 73 13.468 1.987 -22.485 1.00 0.00 ATOM 594 CA VAL A 73 13.611 2.399 -21.100 1.00 0.00 ATOM 595 CB VAL A 73 12.853 1.444 -20.152 1.00 0.00 ATOM 596 CG1 VAL A 73 12.964 1.914 -18.711 1.00 0.00 ATOM 597 CG2 VAL A 73 11.394 1.323 -20.562 1.00 0.00 ATOM 598 O VAL A 73 15.745 1.389 -20.680 1.00 0.00 ATOM 599 C VAL A 73 15.078 2.427 -20.705 1.00 0.00 ATOM 600 N ILE A 74 15.578 3.614 -20.405 1.00 0.00 ATOM 601 CA ILE A 74 16.954 3.772 -19.973 1.00 0.00 ATOM 602 CB ILE A 74 17.620 4.989 -20.653 1.00 0.00 ATOM 603 CG1 ILE A 74 17.600 4.810 -22.172 1.00 0.00 ATOM 604 CG2 ILE A 74 19.047 5.173 -20.150 1.00 0.00 ATOM 605 CD1 ILE A 74 18.178 5.984 -22.933 1.00 0.00 ATOM 606 O ILE A 74 16.383 4.840 -17.902 1.00 0.00 ATOM 607 C ILE A 74 17.009 3.936 -18.460 1.00 0.00 ATOM 608 N GLU A 75 17.736 3.047 -17.802 1.00 0.00 ATOM 609 CA GLU A 75 17.891 3.109 -16.359 1.00 0.00 ATOM 610 CB GLU A 75 18.283 1.735 -15.808 1.00 0.00 ATOM 611 CG GLU A 75 18.334 1.674 -14.291 1.00 0.00 ATOM 612 CD GLU A 75 19.004 0.416 -13.775 1.00 0.00 ATOM 613 OE1 GLU A 75 18.312 -0.608 -13.593 1.00 0.00 ATOM 614 OE2 GLU A 75 20.233 0.454 -13.544 1.00 0.00 ATOM 615 O GLU A 75 20.105 4.026 -16.418 1.00 0.00 ATOM 616 C GLU A 75 18.950 4.148 -16.009 1.00 0.00 ATOM 617 N ASP A 76 18.554 5.169 -15.258 1.00 0.00 ATOM 618 CA ASP A 76 19.433 6.302 -14.972 1.00 0.00 ATOM 619 CB ASP A 76 18.691 7.358 -14.152 1.00 0.00 ATOM 620 CG ASP A 76 19.561 8.555 -13.828 1.00 0.00 ATOM 621 OD1 ASP A 76 19.861 9.344 -14.751 1.00 0.00 ATOM 622 OD2 ASP A 76 19.940 8.720 -12.651 1.00 0.00 ATOM 623 O ASP A 76 21.773 6.435 -14.467 1.00 0.00 ATOM 624 C ASP A 76 20.703 5.877 -14.239 1.00 0.00 ATOM 625 N SER A 77 20.590 4.870 -13.389 1.00 0.00 ATOM 626 CA SER A 77 21.712 4.430 -12.571 1.00 0.00 ATOM 627 CB SER A 77 21.201 3.488 -11.483 1.00 0.00 ATOM 628 OG SER A 77 20.094 2.740 -11.953 1.00 0.00 ATOM 629 O SER A 77 23.965 3.690 -12.965 1.00 0.00 ATOM 630 C SER A 77 22.810 3.754 -13.397 1.00 0.00 ATOM 631 N THR A 78 22.459 3.251 -14.576 1.00 0.00 ATOM 632 CA THR A 78 23.424 2.554 -15.419 1.00 0.00 ATOM 633 CB THR A 78 22.999 1.093 -15.645 1.00 0.00 ATOM 634 CG2 THR A 78 23.420 0.226 -14.471 1.00 0.00 ATOM 635 OG1 THR A 78 21.578 1.020 -15.827 1.00 0.00 ATOM 636 O THR A 78 24.628 2.998 -17.448 1.00 0.00 ATOM 637 C THR A 78 23.631 3.247 -16.767 1.00 0.00 ATOM 638 N ASN A 79 22.680 4.105 -17.145 1.00 0.00 ATOM 639 CA ASN A 79 22.761 4.892 -18.386 1.00 0.00 ATOM 640 CB ASN A 79 24.103 5.638 -18.495 1.00 0.00 ATOM 641 CG ASN A 79 24.128 6.959 -17.741 1.00 0.00 ATOM 642 ND2 ASN A 79 23.404 7.043 -16.636 1.00 0.00 ATOM 643 OD1 ASN A 79 24.802 7.903 -18.151 1.00 0.00 ATOM 644 O ASN A 79 22.863 4.449 -20.744 1.00 0.00 ATOM 645 C ASN A 79 22.554 4.026 -19.627 1.00 0.00 ATOM 646 N GLU A 80 22.007 2.830 -19.446 1.00 0.00 ATOM 647 CA GLU A 80 21.779 1.936 -20.572 1.00 0.00 ATOM 648 CB GLU A 80 22.641 0.677 -20.458 1.00 0.00 ATOM 649 CG GLU A 80 22.273 -0.239 -19.298 1.00 0.00 ATOM 650 CD GLU A 80 23.010 -1.561 -19.366 1.00 0.00 ATOM 651 OE1 GLU A 80 24.118 -1.666 -18.797 1.00 0.00 ATOM 652 OE2 GLU A 80 22.502 -2.497 -20.016 1.00 0.00 ATOM 653 O GLU A 80 19.534 1.692 -19.740 1.00 0.00 ATOM 654 C GLU A 80 20.310 1.550 -20.690 1.00 0.00 ATOM 655 N VAL A 81 19.941 1.067 -21.867 1.00 0.00 ATOM 656 CA VAL A 81 18.587 0.605 -22.122 1.00 0.00 ATOM 657 CB VAL A 81 18.290 0.559 -23.633 1.00 0.00 ATOM 658 CG1 VAL A 81 16.837 0.189 -23.878 1.00 0.00 ATOM 659 CG2 VAL A 81 18.625 1.891 -24.286 1.00 0.00 ATOM 660 O VAL A 81 19.056 -1.737 -21.937 1.00 0.00 ATOM 661 C VAL A 81 18.386 -0.786 -21.535 1.00 0.00 ATOM 662 N ILE A 82 17.473 -0.901 -20.585 1.00 0.00 ATOM 663 CA ILE A 82 17.226 -2.172 -19.916 1.00 0.00 ATOM 664 CB ILE A 82 17.049 -1.982 -18.392 1.00 0.00 ATOM 665 CG1 ILE A 82 15.971 -0.926 -18.105 1.00 0.00 ATOM 666 CG2 ILE A 82 18.375 -1.594 -17.752 1.00 0.00 ATOM 667 CD1 ILE A 82 15.648 -0.763 -16.635 1.00 0.00 ATOM 668 O ILE A 82 15.777 -4.057 -20.242 1.00 0.00 ATOM 669 C ILE A 82 15.992 -2.870 -20.477 1.00 0.00 ATOM 670 N ARG A 83 15.186 -2.133 -21.230 1.00 0.00 ATOM 671 CA ARG A 83 13.936 -2.670 -21.751 1.00 0.00 ATOM 672 CB ARG A 83 12.865 -2.611 -20.661 1.00 0.00 ATOM 673 CG ARG A 83 11.709 -3.579 -20.856 1.00 0.00 ATOM 674 CD ARG A 83 12.153 -5.017 -20.646 1.00 0.00 ATOM 675 NE ARG A 83 11.021 -5.923 -20.430 1.00 0.00 ATOM 676 CZ ARG A 83 10.893 -7.121 -21.002 1.00 0.00 ATOM 677 NH1 ARG A 83 11.764 -7.525 -21.911 1.00 0.00 ATOM 678 NH2 ARG A 83 9.878 -7.911 -20.669 1.00 0.00 ATOM 679 O ARG A 83 13.498 -0.638 -22.934 1.00 0.00 ATOM 680 C ARG A 83 13.485 -1.864 -22.963 1.00 0.00 ATOM 681 N GLU A 84 13.105 -2.546 -24.031 1.00 0.00 ATOM 682 CA GLU A 84 12.606 -1.868 -25.219 1.00 0.00 ATOM 683 CB GLU A 84 13.507 -2.145 -26.424 1.00 0.00 ATOM 684 CG GLU A 84 14.944 -1.694 -26.222 1.00 0.00 ATOM 685 CD GLU A 84 15.806 -1.924 -27.446 1.00 0.00 ATOM 686 OE1 GLU A 84 16.177 -3.088 -27.707 1.00 0.00 ATOM 687 OE2 GLU A 84 16.128 -0.940 -28.145 1.00 0.00 ATOM 688 O GLU A 84 10.931 -3.496 -25.747 1.00 0.00 ATOM 689 C GLU A 84 11.180 -2.312 -25.511 1.00 0.00 ATOM 690 N ILE A 85 10.247 -1.370 -25.478 1.00 0.00 ATOM 691 CA ILE A 85 8.845 -1.688 -25.689 1.00 0.00 ATOM 692 CB ILE A 85 7.942 -1.209 -24.520 1.00 0.00 ATOM 693 CG1 ILE A 85 8.368 -1.839 -23.185 1.00 0.00 ATOM 694 CG2 ILE A 85 6.483 -1.539 -24.807 1.00 0.00 ATOM 695 CD1 ILE A 85 9.521 -1.127 -22.509 1.00 0.00 ATOM 696 O ILE A 85 8.315 0.164 -27.127 1.00 0.00 ATOM 697 C ILE A 85 8.343 -1.061 -26.988 1.00 0.00 ATOM 698 N PRO A 86 7.961 -1.895 -27.965 1.00 0.00 ATOM 699 CA PRO A 86 7.364 -1.422 -29.213 1.00 0.00 ATOM 700 CB PRO A 86 7.215 -2.699 -30.052 1.00 0.00 ATOM 701 CG PRO A 86 7.207 -3.810 -29.059 1.00 0.00 ATOM 702 CD PRO A 86 8.091 -3.363 -27.931 1.00 0.00 ATOM 703 O PRO A 86 5.290 -1.139 -28.030 1.00 0.00 ATOM 704 C PRO A 86 6.001 -0.770 -28.969 1.00 0.00 ATOM 705 N PRO A 87 5.608 0.194 -29.821 1.00 0.00 ATOM 706 CA PRO A 87 4.367 0.966 -29.645 1.00 0.00 ATOM 707 CB PRO A 87 4.309 1.859 -30.894 1.00 0.00 ATOM 708 CG PRO A 87 5.258 1.242 -31.864 1.00 0.00 ATOM 709 CD PRO A 87 6.331 0.601 -31.035 1.00 0.00 ATOM 710 O PRO A 87 2.167 0.386 -28.866 1.00 0.00 ATOM 711 C PRO A 87 3.130 0.074 -29.564 1.00 0.00 ATOM 712 N LYS A 88 3.184 -1.056 -30.251 1.00 0.00 ATOM 713 CA LYS A 88 2.055 -1.974 -30.311 1.00 0.00 ATOM 714 CB LYS A 88 2.123 -2.799 -31.601 1.00 0.00 ATOM 715 CG LYS A 88 3.450 -3.509 -31.810 1.00 0.00 ATOM 716 CD LYS A 88 3.504 -4.207 -33.161 1.00 0.00 ATOM 717 CE LYS A 88 2.392 -5.234 -33.308 1.00 0.00 ATOM 718 NZ LYS A 88 2.469 -5.962 -34.603 1.00 0.00 ATOM 719 O LYS A 88 1.140 -3.771 -28.998 1.00 0.00 ATOM 720 C LYS A 88 1.990 -2.885 -29.080 1.00 0.00 ATOM 721 N ARG A 89 2.892 -2.669 -28.127 1.00 0.00 ATOM 722 CA ARG A 89 2.820 -3.359 -26.840 1.00 0.00 ATOM 723 CB ARG A 89 3.970 -4.356 -26.662 1.00 0.00 ATOM 724 CG ARG A 89 4.091 -5.382 -27.775 1.00 0.00 ATOM 725 CD ARG A 89 5.006 -6.526 -27.364 1.00 0.00 ATOM 726 NE ARG A 89 5.711 -7.098 -28.507 1.00 0.00 ATOM 727 CZ ARG A 89 6.719 -7.965 -28.407 1.00 0.00 ATOM 728 NH1 ARG A 89 7.103 -8.404 -27.215 1.00 0.00 ATOM 729 NH2 ARG A 89 7.339 -8.386 -29.499 1.00 0.00 ATOM 730 O ARG A 89 2.752 -2.706 -24.530 1.00 0.00 ATOM 731 C ARG A 89 2.855 -2.345 -25.703 1.00 0.00 ATOM 732 N TRP A 90 2.989 -1.075 -26.064 1.00 0.00 ATOM 733 CA TRP A 90 3.124 -0.007 -25.083 1.00 0.00 ATOM 734 CB TRP A 90 3.473 1.311 -25.787 1.00 0.00 ATOM 735 CG TRP A 90 3.695 2.456 -24.845 1.00 0.00 ATOM 736 CD1 TRP A 90 2.875 3.529 -24.655 1.00 0.00 ATOM 737 CD2 TRP A 90 4.808 2.637 -23.959 1.00 0.00 ATOM 738 CE2 TRP A 90 4.595 3.845 -23.268 1.00 0.00 ATOM 739 CE3 TRP A 90 5.964 1.900 -23.686 1.00 0.00 ATOM 740 NE1 TRP A 90 3.409 4.369 -23.711 1.00 0.00 ATOM 741 CZ2 TRP A 90 5.492 4.328 -22.320 1.00 0.00 ATOM 742 CZ3 TRP A 90 6.854 2.381 -22.743 1.00 0.00 ATOM 743 CH2 TRP A 90 6.613 3.587 -22.073 1.00 0.00 ATOM 744 O TRP A 90 1.883 0.498 -23.090 1.00 0.00 ATOM 745 C TRP A 90 1.842 0.143 -24.265 1.00 0.00 ATOM 746 N LEU A 91 0.708 -0.158 -24.892 1.00 0.00 ATOM 747 CA LEU A 91 -0.589 -0.058 -24.230 1.00 0.00 ATOM 748 CB LEU A 91 -1.720 -0.338 -25.221 1.00 0.00 ATOM 749 CG LEU A 91 -1.816 0.643 -26.390 1.00 0.00 ATOM 750 CD1 LEU A 91 -2.931 0.230 -27.335 1.00 0.00 ATOM 751 CD2 LEU A 91 -2.042 2.061 -25.883 1.00 0.00 ATOM 752 O LEU A 91 -1.219 -0.678 -21.997 1.00 0.00 ATOM 753 C LEU A 91 -0.679 -1.022 -23.050 1.00 0.00 ATOM 754 N ASP A 92 -0.134 -2.224 -23.225 1.00 0.00 ATOM 755 CA ASP A 92 -0.161 -3.231 -22.170 1.00 0.00 ATOM 756 CB ASP A 92 0.204 -4.616 -22.715 1.00 0.00 ATOM 757 CG ASP A 92 0.085 -5.697 -21.654 1.00 0.00 ATOM 758 OD1 ASP A 92 -1.045 -6.190 -21.431 1.00 0.00 ATOM 759 OD2 ASP A 92 1.109 -6.050 -21.037 1.00 0.00 ATOM 760 O ASP A 92 0.433 -2.913 -19.874 1.00 0.00 ATOM 761 C ASP A 92 0.791 -2.849 -21.047 1.00 0.00 ATOM 762 N PHE A 93 1.998 -2.425 -21.418 1.00 0.00 ATOM 763 CA PHE A 93 2.985 -1.973 -20.442 1.00 0.00 ATOM 764 CB PHE A 93 4.289 -1.575 -21.143 1.00 0.00 ATOM 765 CG PHE A 93 5.320 -0.995 -20.211 1.00 0.00 ATOM 766 CD1 PHE A 93 6.087 -1.818 -19.403 1.00 0.00 ATOM 767 CD2 PHE A 93 5.518 0.376 -20.143 1.00 0.00 ATOM 768 CE1 PHE A 93 7.030 -1.285 -18.543 1.00 0.00 ATOM 769 CE2 PHE A 93 6.460 0.914 -19.286 1.00 0.00 ATOM 770 CZ PHE A 93 7.215 0.084 -18.486 1.00 0.00 ATOM 771 O PHE A 93 2.623 -0.719 -18.423 1.00 0.00 ATOM 772 C PHE A 93 2.442 -0.793 -19.642 1.00 0.00 ATOM 773 N TYR A 94 1.785 0.123 -20.345 1.00 0.00 ATOM 774 CA TYR A 94 1.145 1.271 -19.722 1.00 0.00 ATOM 775 CB TYR A 94 0.387 2.078 -20.783 1.00 0.00 ATOM 776 CG TYR A 94 -0.489 3.184 -20.232 1.00 0.00 ATOM 777 CD1 TYR A 94 -1.850 3.205 -20.501 1.00 0.00 ATOM 778 CD2 TYR A 94 0.043 4.207 -19.455 1.00 0.00 ATOM 779 CE1 TYR A 94 -2.661 4.208 -20.009 1.00 0.00 ATOM 780 CE2 TYR A 94 -0.764 5.214 -18.959 1.00 0.00 ATOM 781 CZ TYR A 94 -2.114 5.211 -19.242 1.00 0.00 ATOM 782 OH TYR A 94 -2.924 6.213 -18.753 1.00 0.00 ATOM 783 O TYR A 94 0.320 1.261 -17.474 1.00 0.00 ATOM 784 C TYR A 94 0.204 0.817 -18.613 1.00 0.00 ATOM 785 N ALA A 95 -0.703 -0.094 -18.943 1.00 0.00 ATOM 786 CA ALA A 95 -1.657 -0.606 -17.970 1.00 0.00 ATOM 787 CB ALA A 95 -2.690 -1.485 -18.657 1.00 0.00 ATOM 788 O ALA A 95 -1.215 -1.172 -15.680 1.00 0.00 ATOM 789 C ALA A 95 -0.946 -1.379 -16.865 1.00 0.00 ATOM 790 N ALA A 96 -0.022 -2.250 -17.267 1.00 0.00 ATOM 791 CA ALA A 96 0.716 -3.099 -16.337 1.00 0.00 ATOM 792 CB ALA A 96 1.797 -3.878 -17.074 1.00 0.00 ATOM 793 O ALA A 96 1.181 -2.633 -14.030 1.00 0.00 ATOM 794 C ALA A 96 1.333 -2.295 -15.206 1.00 0.00 ATOM 795 N MET A 97 2.025 -1.225 -15.559 1.00 0.00 ATOM 796 CA MET A 97 2.704 -0.421 -14.561 1.00 0.00 ATOM 797 CB MET A 97 3.907 0.314 -15.155 1.00 0.00 ATOM 798 CG MET A 97 4.837 0.870 -14.087 1.00 0.00 ATOM 799 SD MET A 97 6.485 1.252 -14.707 1.00 0.00 ATOM 800 CE MET A 97 6.123 2.518 -15.912 1.00 0.00 ATOM 801 O MET A 97 1.957 0.921 -12.736 1.00 0.00 ATOM 802 C MET A 97 1.743 0.550 -13.881 1.00 0.00 ATOM 803 N THR A 98 0.691 0.966 -14.578 1.00 0.00 ATOM 804 CA THR A 98 -0.305 1.859 -13.985 1.00 0.00 ATOM 805 CB THR A 98 -1.326 2.363 -15.032 1.00 0.00 ATOM 806 CG2 THR A 98 -2.433 3.177 -14.381 1.00 0.00 ATOM 807 OG1 THR A 98 -0.662 3.167 -16.014 1.00 0.00 ATOM 808 O THR A 98 -1.213 1.802 -11.778 1.00 0.00 ATOM 809 C THR A 98 -1.037 1.189 -12.829 1.00 0.00 ATOM 810 N GLU A 99 -1.454 -0.061 -13.003 1.00 0.00 ATOM 811 CA GLU A 99 -2.051 -0.798 -11.897 1.00 0.00 ATOM 812 CB GLU A 99 -2.428 -2.219 -12.312 1.00 0.00 ATOM 813 CG GLU A 99 -3.838 -2.360 -12.866 1.00 0.00 ATOM 814 CD GLU A 99 -4.006 -1.810 -14.268 1.00 0.00 ATOM 815 OE1 GLU A 99 -3.828 -2.588 -15.232 1.00 0.00 ATOM 816 OE2 GLU A 99 -4.348 -0.615 -14.414 1.00 0.00 ATOM 817 O GLU A 99 -1.458 -0.641 -9.577 1.00 0.00 ATOM 818 C GLU A 99 -1.078 -0.849 -10.724 1.00 0.00 ATOM 819 N PHE A 100 0.178 -1.117 -11.036 1.00 0.00 ATOM 820 CA PHE A 100 1.235 -1.173 -10.034 1.00 0.00 ATOM 821 CB PHE A 100 2.530 -1.664 -10.686 1.00 0.00 ATOM 822 CG PHE A 100 3.713 -1.707 -9.763 1.00 0.00 ATOM 823 CD1 PHE A 100 3.800 -2.666 -8.768 1.00 0.00 ATOM 824 CD2 PHE A 100 4.747 -0.798 -9.905 1.00 0.00 ATOM 825 CE1 PHE A 100 4.897 -2.713 -7.931 1.00 0.00 ATOM 826 CE2 PHE A 100 5.844 -0.839 -9.072 1.00 0.00 ATOM 827 CZ PHE A 100 5.920 -1.800 -8.083 1.00 0.00 ATOM 828 O PHE A 100 1.337 0.312 -8.146 1.00 0.00 ATOM 829 C PHE A 100 1.455 0.191 -9.363 1.00 0.00 ATOM 830 N LEU A 101 1.745 1.217 -10.159 1.00 0.00 ATOM 831 CA LEU A 101 2.073 2.538 -9.626 1.00 0.00 ATOM 832 CB LEU A 101 2.627 3.457 -10.719 1.00 0.00 ATOM 833 CG LEU A 101 3.988 3.056 -11.283 1.00 0.00 ATOM 834 CD1 LEU A 101 4.423 4.038 -12.356 1.00 0.00 ATOM 835 CD2 LEU A 101 5.027 2.985 -10.176 1.00 0.00 ATOM 836 O LEU A 101 0.994 3.859 -7.951 1.00 0.00 ATOM 837 C LEU A 101 0.863 3.188 -8.971 1.00 0.00 ATOM 838 N GLY A 102 -0.314 2.972 -9.545 1.00 0.00 ATOM 839 CA GLY A 102 -1.523 3.569 -9.006 1.00 0.00 ATOM 840 O GLY A 102 -2.778 3.491 -6.972 1.00 0.00 ATOM 841 C GLY A 102 -1.925 2.956 -7.681 1.00 0.00 ATOM 842 N LEU A 103 -1.317 1.823 -7.352 1.00 0.00 ATOM 843 CA LEU A 103 -1.498 1.228 -6.030 1.00 0.00 ATOM 844 CB LEU A 103 -1.095 -0.249 -6.023 1.00 0.00 ATOM 845 CG LEU A 103 -2.039 -1.185 -6.779 1.00 0.00 ATOM 846 CD1 LEU A 103 -1.541 -2.617 -6.699 1.00 0.00 ATOM 847 CD2 LEU A 103 -3.457 -1.083 -6.234 1.00 0.00 ATOM 848 O LEU A 103 -1.012 1.991 -3.801 1.00 0.00 ATOM 849 C LEU A 103 -0.689 1.996 -4.990 1.00 0.00 ATOM 850 N PHE A 104 0.361 2.662 -5.450 1.00 0.00 ATOM 851 CA PHE A 104 1.202 3.461 -4.574 1.00 0.00 ATOM 852 CB PHE A 104 2.655 3.447 -5.052 1.00 0.00 ATOM 853 CG PHE A 104 3.334 2.117 -4.887 1.00 0.00 ATOM 854 CD1 PHE A 104 4.069 1.842 -3.746 1.00 0.00 ATOM 855 CD2 PHE A 104 3.243 1.148 -5.869 1.00 0.00 ATOM 856 CE1 PHE A 104 4.698 0.623 -3.586 1.00 0.00 ATOM 857 CE2 PHE A 104 3.868 -0.073 -5.717 1.00 0.00 ATOM 858 CZ PHE A 104 4.598 -0.336 -4.573 1.00 0.00 ATOM 859 O PHE A 104 0.512 5.434 -3.406 1.00 0.00 ATOM 860 C PHE A 104 0.694 4.894 -4.497 1.00 0.00 ATOM 861 N VAL A 105 0.452 5.504 -5.654 1.00 0.00 ATOM 862 CA VAL A 105 -0.010 6.887 -5.697 1.00 0.00 ATOM 863 CB VAL A 105 0.104 7.518 -7.102 1.00 0.00 ATOM 864 CG1 VAL A 105 1.542 7.907 -7.407 1.00 0.00 ATOM 865 CG2 VAL A 105 -0.436 6.582 -8.165 1.00 0.00 ATOM 866 O VAL A 105 -2.212 6.067 -5.235 1.00 0.00 ATOM 867 C VAL A 105 -1.435 7.025 -5.221 1.00 0.00 ATOM 868 N ASP A 106 -1.758 8.230 -4.787 1.00 0.00 ATOM 869 CA ASP A 106 -3.093 8.556 -4.365 1.00 0.00 ATOM 870 CB ASP A 106 -3.135 9.909 -3.657 1.00 0.00 ATOM 871 CG ASP A 106 -4.510 10.220 -3.112 1.00 0.00 ATOM 872 OD1 ASP A 106 -5.239 10.996 -3.754 1.00 0.00 ATOM 873 OD2 ASP A 106 -4.865 9.678 -2.040 1.00 0.00 ATOM 874 O ASP A 106 -3.928 9.435 -6.433 1.00 0.00 ATOM 875 C ASP A 106 -4.002 8.556 -5.573 1.00 0.00 ATOM 876 N GLU A 107 -4.768 7.492 -5.652 1.00 0.00 ATOM 877 CA GLU A 107 -5.790 7.267 -6.692 1.00 0.00 ATOM 878 CB GLU A 107 -6.405 5.887 -6.456 1.00 0.00 ATOM 879 CG GLU A 107 -7.322 5.404 -7.563 1.00 0.00 ATOM 880 CD GLU A 107 -8.009 4.103 -7.200 1.00 0.00 ATOM 881 OE1 GLU A 107 -7.370 3.033 -7.300 1.00 0.00 ATOM 882 OE2 GLU A 107 -9.181 4.147 -6.774 1.00 0.00 ATOM 883 O GLU A 107 -8.088 8.067 -6.683 1.00 0.00 ATOM 884 C GLU A 107 -6.890 8.354 -6.691 1.00 0.00 ATOM 885 N LYS A 108 -6.450 9.592 -6.703 1.00 0.00 ATOM 886 CA LYS A 108 -7.304 10.770 -6.836 1.00 0.00 ATOM 887 CB LYS A 108 -7.767 11.312 -5.470 1.00 0.00 ATOM 888 CG LYS A 108 -8.383 10.282 -4.538 1.00 0.00 ATOM 889 CD LYS A 108 -8.805 10.917 -3.222 1.00 0.00 ATOM 890 CE LYS A 108 -9.091 9.873 -2.152 1.00 0.00 ATOM 891 NZ LYS A 108 -10.237 8.994 -2.505 1.00 0.00 ATOM 892 O LYS A 108 -6.940 12.516 -8.455 1.00 0.00 ATOM 893 C LYS A 108 -6.482 11.844 -7.533 1.00 0.00 ATOM 894 N LYS A 109 -5.237 11.963 -7.083 1.00 0.00 ATOM 895 CA LYS A 109 -4.272 12.905 -7.636 1.00 0.00 ATOM 896 CB LYS A 109 -3.097 13.046 -6.670 1.00 0.00 ATOM 897 CG LYS A 109 -3.438 13.773 -5.380 1.00 0.00 ATOM 898 CD LYS A 109 -2.331 13.609 -4.353 1.00 0.00 ATOM 899 CE LYS A 109 -0.983 14.043 -4.906 1.00 0.00 ATOM 900 NZ LYS A 109 0.131 13.662 -4.000 1.00 0.00 ATOM 901 O LYS A 109 -3.019 13.184 -9.660 1.00 0.00 ATOM 902 C LYS A 109 -3.742 12.447 -8.989 1.00 0.00 ATOM 903 N LEU A 110 -4.079 11.226 -9.384 1.00 0.00 ATOM 904 CA LEU A 110 -3.573 10.681 -10.632 1.00 0.00 ATOM 905 CB LEU A 110 -3.883 9.168 -10.742 1.00 0.00 ATOM 906 CG LEU A 110 -5.307 8.692 -10.394 1.00 0.00 ATOM 907 CD1 LEU A 110 -6.321 9.068 -11.466 1.00 0.00 ATOM 908 CD2 LEU A 110 -5.303 7.187 -10.212 1.00 0.00 ATOM 909 O LEU A 110 -3.326 11.748 -12.764 1.00 0.00 ATOM 910 C LEU A 110 -4.084 11.476 -11.834 1.00 0.00 ATOM 911 N GLU A 111 -5.353 11.878 -11.752 1.00 0.00 ATOM 912 CA GLU A 111 -6.067 12.641 -12.791 1.00 0.00 ATOM 913 CB GLU A 111 -6.038 14.136 -12.465 1.00 0.00 ATOM 914 CG GLU A 111 -7.420 14.728 -12.223 1.00 0.00 ATOM 915 CD GLU A 111 -8.294 14.741 -13.466 1.00 0.00 ATOM 916 OE1 GLU A 111 -8.746 15.835 -13.865 1.00 0.00 ATOM 917 OE2 GLU A 111 -8.535 13.665 -14.056 1.00 0.00 ATOM 918 O GLU A 111 -5.389 13.346 -14.988 1.00 0.00 ATOM 919 C GLU A 111 -5.549 12.402 -14.212 1.00 0.00 ATOM 920 N HIS A 112 -5.305 11.149 -14.564 1.00 0.00 ATOM 921 CA HIS A 112 -4.906 10.838 -15.923 1.00 0.00 ATOM 922 CB HIS A 112 -3.609 9.996 -15.978 1.00 0.00 ATOM 923 CG HIS A 112 -3.695 8.606 -15.432 1.00 0.00 ATOM 924 CD2 HIS A 112 -4.460 8.084 -14.456 1.00 0.00 ATOM 925 ND1 HIS A 112 -2.920 7.573 -15.902 1.00 0.00 ATOM 926 CE1 HIS A 112 -3.205 6.472 -15.240 1.00 0.00 ATOM 927 NE2 HIS A 112 -4.141 6.751 -14.350 1.00 0.00 ATOM 928 O HIS A 112 -6.173 8.963 -16.768 1.00 0.00 ATOM 929 C HIS A 112 -6.071 10.183 -16.660 1.00 0.00 ATOM 930 N HIS A 113 -6.973 11.023 -17.140 1.00 0.00 ATOM 931 CA HIS A 113 -8.233 10.554 -17.691 1.00 0.00 ATOM 932 CB HIS A 113 -9.377 11.534 -17.366 1.00 0.00 ATOM 933 CG HIS A 113 -9.087 12.980 -17.670 1.00 0.00 ATOM 934 CD2 HIS A 113 -9.168 13.679 -18.827 1.00 0.00 ATOM 935 ND1 HIS A 113 -8.682 13.884 -16.711 1.00 0.00 ATOM 936 CE1 HIS A 113 -8.525 15.069 -17.268 1.00 0.00 ATOM 937 NE2 HIS A 113 -8.813 14.973 -18.551 1.00 0.00 ATOM 938 O HIS A 113 -8.169 11.208 -20.006 1.00 0.00 ATOM 939 C HIS A 113 -8.134 10.293 -19.189 1.00 0.00 ATOM 940 N HIS A 114 -7.972 9.030 -19.537 1.00 0.00 ATOM 941 CA HIS A 114 -8.046 8.615 -20.928 1.00 0.00 ATOM 942 CB HIS A 114 -7.021 7.522 -21.246 1.00 0.00 ATOM 943 CG HIS A 114 -5.647 8.065 -21.497 1.00 0.00 ATOM 944 CD2 HIS A 114 -5.210 8.947 -22.425 1.00 0.00 ATOM 945 ND1 HIS A 114 -4.537 7.709 -20.760 1.00 0.00 ATOM 946 CE1 HIS A 114 -3.482 8.354 -21.225 1.00 0.00 ATOM 947 NE2 HIS A 114 -3.862 9.113 -22.236 1.00 0.00 ATOM 948 O HIS A 114 -9.820 6.996 -20.974 1.00 0.00 ATOM 949 C HIS A 114 -9.457 8.146 -21.233 1.00 0.00 ATOM 950 N HIS A 115 -10.258 9.055 -21.764 1.00 0.00 ATOM 951 CA HIS A 115 -11.678 8.810 -21.934 1.00 0.00 ATOM 952 CB HIS A 115 -12.444 10.135 -21.996 1.00 0.00 ATOM 953 CG HIS A 115 -13.934 9.972 -22.042 1.00 0.00 ATOM 954 CD2 HIS A 115 -14.762 9.177 -21.322 1.00 0.00 ATOM 955 ND1 HIS A 115 -14.741 10.679 -22.901 1.00 0.00 ATOM 956 CE1 HIS A 115 -15.998 10.330 -22.713 1.00 0.00 ATOM 957 NE2 HIS A 115 -16.038 9.421 -21.760 1.00 0.00 ATOM 958 O HIS A 115 -12.132 8.485 -24.274 1.00 0.00 ATOM 959 C HIS A 115 -11.954 7.965 -23.175 1.00 0.00 ATOM 960 N HIS A 116 -11.940 6.658 -22.985 1.00 0.00 ATOM 961 CA HIS A 116 -12.380 5.721 -24.006 1.00 0.00 ATOM 962 CB HIS A 116 -11.260 5.394 -25.005 1.00 0.00 ATOM 963 CG HIS A 116 -11.710 4.547 -26.161 1.00 0.00 ATOM 964 CD2 HIS A 116 -11.749 3.199 -26.317 1.00 0.00 ATOM 965 ND1 HIS A 116 -12.190 5.075 -27.337 1.00 0.00 ATOM 966 CE1 HIS A 116 -12.505 4.097 -28.163 1.00 0.00 ATOM 967 NE2 HIS A 116 -12.249 2.949 -27.570 1.00 0.00 ATOM 968 O HIS A 116 -12.155 3.477 -23.178 1.00 0.00 ATOM 969 C HIS A 116 -12.884 4.457 -23.332 1.00 0.00 ATOM 970 N HIS 117 -14.117 4.519 -22.872 1.00 0.00 ATOM 971 CA HIS 117 -14.759 3.394 -22.217 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1178618443.pdb -s /var/tmp/to_scwrl_1178618443.seq -o /var/tmp/from_scwrl_1178618443.pdb > /var/tmp/scwrl_1178618443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178618443.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 75 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -28.728 # GDT_score(maxd=8.000,maxw=2.900)= -28.027 # GDT_score(maxd=8.000,maxw=3.200)= -26.832 # GDT_score(maxd=8.000,maxw=3.500)= -25.673 # GDT_score(maxd=10.000,maxw=3.800)= -28.474 # GDT_score(maxd=10.000,maxw=4.000)= -27.614 # GDT_score(maxd=10.000,maxw=4.200)= -26.753 # GDT_score(maxd=12.000,maxw=4.300)= -29.855 # GDT_score(maxd=12.000,maxw=4.500)= -28.945 # GDT_score(maxd=12.000,maxw=4.700)= -28.062 # GDT_score(maxd=14.000,maxw=5.200)= -29.067 # GDT_score(maxd=14.000,maxw=5.500)= -27.865 # command:# request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_237299814.pdb -s /var/tmp/to_scwrl_237299814.seq -o /var/tmp/from_scwrl_237299814.pdb > /var/tmp/scwrl_237299814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237299814.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 105 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -35.746 # GDT_score(maxd=8.000,maxw=2.900)= -32.572 # GDT_score(maxd=8.000,maxw=3.200)= -30.652 # GDT_score(maxd=8.000,maxw=3.500)= -29.002 # GDT_score(maxd=10.000,maxw=3.800)= -33.204 # GDT_score(maxd=10.000,maxw=4.000)= -32.114 # GDT_score(maxd=10.000,maxw=4.200)= -31.118 # GDT_score(maxd=12.000,maxw=4.300)= -35.180 # GDT_score(maxd=12.000,maxw=4.500)= -34.108 # GDT_score(maxd=12.000,maxw=4.700)= -33.083 # GDT_score(maxd=14.000,maxw=5.200)= -34.178 # GDT_score(maxd=14.000,maxw=5.500)= -32.713 # command:# request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1951252217.pdb -s /var/tmp/to_scwrl_1951252217.seq -o /var/tmp/from_scwrl_1951252217.pdb > /var/tmp/scwrl_1951252217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1951252217.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -32.675 # GDT_score(maxd=8.000,maxw=2.900)= -31.092 # GDT_score(maxd=8.000,maxw=3.200)= -29.487 # GDT_score(maxd=8.000,maxw=3.500)= -27.970 # GDT_score(maxd=10.000,maxw=3.800)= -31.684 # GDT_score(maxd=10.000,maxw=4.000)= -30.622 # GDT_score(maxd=10.000,maxw=4.200)= -29.601 # GDT_score(maxd=12.000,maxw=4.300)= -33.236 # GDT_score(maxd=12.000,maxw=4.500)= -32.156 # GDT_score(maxd=12.000,maxw=4.700)= -31.124 # GDT_score(maxd=14.000,maxw=5.200)= -31.958 # GDT_score(maxd=14.000,maxw=5.500)= -30.607 # command:# request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_235429443.pdb -s /var/tmp/to_scwrl_235429443.seq -o /var/tmp/from_scwrl_235429443.pdb > /var/tmp/scwrl_235429443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235429443.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -26.096 # GDT_score(maxd=8.000,maxw=2.900)= -24.495 # GDT_score(maxd=8.000,maxw=3.200)= -23.330 # GDT_score(maxd=8.000,maxw=3.500)= -22.237 # GDT_score(maxd=10.000,maxw=3.800)= -24.569 # GDT_score(maxd=10.000,maxw=4.000)= -23.772 # GDT_score(maxd=10.000,maxw=4.200)= -23.016 # GDT_score(maxd=12.000,maxw=4.300)= -25.869 # GDT_score(maxd=12.000,maxw=4.500)= -25.070 # GDT_score(maxd=12.000,maxw=4.700)= -24.309 # GDT_score(maxd=14.000,maxw=5.200)= -25.548 # GDT_score(maxd=14.000,maxw=5.500)= -24.492 # command:# request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1439828998.pdb -s /var/tmp/to_scwrl_1439828998.seq -o /var/tmp/from_scwrl_1439828998.pdb > /var/tmp/scwrl_1439828998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1439828998.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 T0350.try1-opt2.pdb looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -25.877 # GDT_score(maxd=8.000,maxw=2.900)= -24.463 # GDT_score(maxd=8.000,maxw=3.200)= -23.301 # GDT_score(maxd=8.000,maxw=3.500)= -22.210 # GDT_score(maxd=10.000,maxw=3.800)= -24.545 # GDT_score(maxd=10.000,maxw=4.000)= -23.749 # GDT_score(maxd=10.000,maxw=4.200)= -22.994 # GDT_score(maxd=12.000,maxw=4.300)= -25.848 # GDT_score(maxd=12.000,maxw=4.500)= -25.050 # GDT_score(maxd=12.000,maxw=4.700)= -24.290 # GDT_score(maxd=14.000,maxw=5.200)= -25.530 # GDT_score(maxd=14.000,maxw=5.500)= -24.476 # command:# Prefix for output files set to # command:EXPDTA T0350.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0350.try1-opt2.pdb ATOM 1 N MET A 1 20.005 -11.104 -9.268 1.00 0.00 ATOM 2 CA MET A 1 19.833 -9.790 -9.920 1.00 0.00 ATOM 3 CB MET A 1 19.495 -9.968 -11.402 1.00 0.00 ATOM 4 CG MET A 1 19.446 -8.666 -12.187 1.00 0.00 ATOM 5 SD MET A 1 19.083 -8.922 -13.935 1.00 0.00 ATOM 6 CE MET A 1 20.658 -9.545 -14.518 1.00 0.00 ATOM 7 O MET A 1 17.617 -9.367 -9.050 1.00 0.00 ATOM 8 C MET A 1 18.717 -8.927 -9.322 1.00 0.00 ATOM 9 N ASN A 2 19.046 -7.663 -9.125 1.00 0.00 ATOM 10 CA ASN A 2 18.073 -6.698 -8.597 1.00 0.00 ATOM 11 CB ASN A 2 18.755 -5.370 -8.310 1.00 0.00 ATOM 12 CG ASN A 2 19.452 -5.402 -6.958 1.00 0.00 ATOM 13 ND2 ASN A 2 20.387 -4.494 -6.769 1.00 0.00 ATOM 14 OD1 ASN A 2 19.146 -6.233 -6.085 1.00 0.00 ATOM 15 O ASN A 2 15.741 -6.490 -9.233 1.00 0.00 ATOM 16 C ASN A 2 16.918 -6.542 -9.575 1.00 0.00 ATOM 17 N ILE A 3 17.342 -6.436 -10.896 1.00 0.00 ATOM 18 CA ILE A 3 16.346 -6.342 -11.965 1.00 0.00 ATOM 19 CB ILE A 3 17.103 -6.095 -13.275 1.00 0.00 ATOM 20 CG1 ILE A 3 17.536 -4.640 -13.419 1.00 0.00 ATOM 21 CG2 ILE A 3 16.292 -6.500 -14.483 1.00 0.00 ATOM 22 CD1 ILE A 3 18.510 -4.389 -14.545 1.00 0.00 ATOM 23 O ILE A 3 14.261 -7.522 -12.141 1.00 0.00 ATOM 24 C ILE A 3 15.486 -7.589 -12.002 1.00 0.00 ATOM 25 N GLU A 4 16.090 -8.769 -11.887 1.00 0.00 ATOM 26 CA GLU A 4 15.321 -10.007 -11.910 1.00 0.00 ATOM 27 CB GLU A 4 16.280 -11.180 -11.729 1.00 0.00 ATOM 28 CG GLU A 4 15.621 -12.532 -11.934 1.00 0.00 ATOM 29 CD GLU A 4 16.569 -13.678 -12.145 1.00 0.00 ATOM 30 OE1 GLU A 4 17.771 -13.563 -11.845 1.00 0.00 ATOM 31 OE2 GLU A 4 16.104 -14.739 -12.635 1.00 0.00 ATOM 32 O GLU A 4 13.134 -10.394 -10.978 1.00 0.00 ATOM 33 C GLU A 4 14.292 -10.029 -10.781 1.00 0.00 ATOM 34 N ARG A 5 14.701 -9.603 -9.592 1.00 0.00 ATOM 35 CA ARG A 5 13.825 -9.612 -8.426 1.00 0.00 ATOM 36 CB ARG A 5 14.595 -9.299 -7.121 1.00 0.00 ATOM 37 CG ARG A 5 15.478 -10.440 -6.667 1.00 0.00 ATOM 38 CD ARG A 5 16.067 -10.333 -5.257 1.00 0.00 ATOM 39 NE ARG A 5 17.108 -9.309 -5.100 1.00 0.00 ATOM 40 CZ ARG A 5 18.410 -9.481 -5.356 1.00 0.00 ATOM 41 NH1 ARG A 5 18.876 -10.639 -5.824 1.00 0.00 ATOM 42 NH2 ARG A 5 19.269 -8.488 -5.134 1.00 0.00 ATOM 43 O ARG A 5 11.483 -9.073 -8.332 1.00 0.00 ATOM 44 C ARG A 5 12.619 -8.702 -8.655 1.00 0.00 ATOM 45 N LEU A 6 12.859 -7.449 -9.208 1.00 0.00 ATOM 46 CA LEU A 6 11.773 -6.515 -9.482 1.00 0.00 ATOM 47 CB LEU A 6 12.465 -5.102 -9.798 1.00 0.00 ATOM 48 CG LEU A 6 11.546 -3.923 -10.163 1.00 0.00 ATOM 49 CD1 LEU A 6 10.587 -3.633 -9.022 1.00 0.00 ATOM 50 CD2 LEU A 6 12.386 -2.682 -10.465 1.00 0.00 ATOM 51 O LEU A 6 9.598 -6.765 -10.446 1.00 0.00 ATOM 52 C LEU A 6 10.799 -7.083 -10.507 1.00 0.00 ATOM 53 N THR A 7 11.337 -7.822 -11.473 1.00 0.00 ATOM 54 CA THR A 7 10.492 -8.366 -12.534 1.00 0.00 ATOM 55 CB THR A 7 11.394 -9.030 -13.592 1.00 0.00 ATOM 56 CG2 THR A 7 10.582 -9.599 -14.735 1.00 0.00 ATOM 57 OG1 THR A 7 12.279 -8.008 -14.093 1.00 0.00 ATOM 58 O THR A 7 8.308 -9.327 -12.348 1.00 0.00 ATOM 59 C THR A 7 9.465 -9.313 -11.926 1.00 0.00 ATOM 60 N THR A 8 9.959 -10.128 -10.910 1.00 0.00 ATOM 61 CA THR A 8 9.094 -11.078 -10.225 1.00 0.00 ATOM 62 CB THR A 8 9.927 -12.219 -9.616 1.00 0.00 ATOM 63 CG2 THR A 8 10.559 -13.053 -10.737 1.00 0.00 ATOM 64 OG1 THR A 8 10.971 -11.697 -8.785 1.00 0.00 ATOM 65 O THR A 8 7.053 -10.841 -9.056 1.00 0.00 ATOM 66 C THR A 8 8.216 -10.415 -9.169 1.00 0.00 ATOM 67 N LEU A 9 8.664 -9.350 -8.520 1.00 0.00 ATOM 68 CA LEU A 9 7.848 -8.645 -7.532 1.00 0.00 ATOM 69 CB LEU A 9 8.617 -7.534 -6.788 1.00 0.00 ATOM 70 CG LEU A 9 9.806 -8.036 -5.982 1.00 0.00 ATOM 71 CD1 LEU A 9 10.406 -6.861 -5.186 1.00 0.00 ATOM 72 CD2 LEU A 9 9.471 -9.199 -5.091 1.00 0.00 ATOM 73 O LEU A 9 5.598 -7.795 -7.406 1.00 0.00 ATOM 74 C LEU A 9 6.595 -8.006 -8.097 1.00 0.00 ATOM 75 N GLN A 10 6.656 -7.665 -9.390 1.00 0.00 ATOM 76 CA GLN A 10 5.521 -7.069 -10.071 1.00 0.00 ATOM 77 CB GLN A 10 5.287 -5.861 -10.358 1.00 0.00 ATOM 78 CG GLN A 10 4.532 -5.296 -9.154 1.00 0.00 ATOM 79 CD GLN A 10 5.449 -4.639 -8.132 1.00 0.00 ATOM 80 OE1 GLN A 10 6.580 -5.081 -7.920 1.00 0.00 ATOM 81 NE2 GLN A 10 4.959 -3.589 -7.483 1.00 0.00 ATOM 82 O GLN A 10 5.916 -8.292 -12.096 1.00 0.00 ATOM 83 C GLN A 10 5.089 -7.863 -11.292 1.00 0.00 ATOM 84 N PRO A 11 3.778 -8.047 -11.409 1.00 0.00 ATOM 85 CA PRO A 11 3.215 -8.795 -12.535 1.00 0.00 ATOM 86 CB PRO A 11 1.720 -8.854 -12.263 1.00 0.00 ATOM 87 CG PRO A 11 1.383 -7.836 -11.206 1.00 0.00 ATOM 88 CD PRO A 11 2.674 -7.703 -10.432 1.00 0.00 ATOM 89 O PRO A 11 3.726 -8.721 -14.875 1.00 0.00 ATOM 90 C PRO A 11 3.425 -8.079 -13.869 1.00 0.00 ATOM 91 N VAL A 12 3.268 -6.764 -13.867 1.00 0.00 ATOM 92 CA VAL A 12 3.462 -5.999 -15.094 1.00 0.00 ATOM 93 CB VAL A 12 2.988 -4.558 -14.955 1.00 0.00 ATOM 94 CG1 VAL A 12 3.831 -3.738 -13.993 1.00 0.00 ATOM 95 CG2 VAL A 12 2.904 -3.859 -16.300 1.00 0.00 ATOM 96 O VAL A 12 5.159 -6.171 -16.786 1.00 0.00 ATOM 97 C VAL A 12 4.907 -6.109 -15.584 1.00 0.00 ATOM 98 N TRP A 13 5.857 -6.146 -14.655 1.00 0.00 ATOM 99 CA TRP A 13 7.260 -6.270 -15.031 1.00 0.00 ATOM 100 CB TRP A 13 8.224 -6.056 -13.900 1.00 0.00 ATOM 101 CG TRP A 13 8.381 -4.626 -13.535 1.00 0.00 ATOM 102 CD1 TRP A 13 7.997 -4.035 -12.362 1.00 0.00 ATOM 103 CD2 TRP A 13 8.945 -3.579 -14.349 1.00 0.00 ATOM 104 CE2 TRP A 13 8.862 -2.378 -13.600 1.00 0.00 ATOM 105 CE3 TRP A 13 9.499 -3.538 -15.634 1.00 0.00 ATOM 106 NE1 TRP A 13 8.279 -2.687 -12.404 1.00 0.00 ATOM 107 CZ2 TRP A 13 9.316 -1.140 -14.097 1.00 0.00 ATOM 108 CZ3 TRP A 13 9.949 -2.298 -16.137 1.00 0.00 ATOM 109 CH2 TRP A 13 9.851 -1.118 -15.361 1.00 0.00 ATOM 110 O TRP A 13 8.733 -7.733 -16.221 1.00 0.00 ATOM 111 C TRP A 13 7.686 -7.632 -15.572 1.00 0.00 ATOM 112 N ASP A 14 6.756 -8.683 -15.173 1.00 0.00 ATOM 113 CA ASP A 14 7.120 -10.051 -15.490 1.00 0.00 ATOM 114 CB ASP A 14 6.226 -10.926 -14.659 1.00 0.00 ATOM 115 CG ASP A 14 6.287 -12.355 -15.063 1.00 0.00 ATOM 116 OD1 ASP A 14 6.360 -12.608 -16.312 1.00 0.00 ATOM 117 OD2 ASP A 14 6.290 -13.228 -14.170 1.00 0.00 ATOM 118 O ASP A 14 5.470 -9.928 -17.207 1.00 0.00 ATOM 119 C ASP A 14 6.620 -10.280 -16.919 1.00 0.00 ATOM 120 N ARG A 15 7.436 -10.874 -17.790 1.00 0.00 ATOM 121 CA ARG A 15 7.036 -10.964 -19.199 1.00 0.00 ATOM 122 CB ARG A 15 8.021 -11.659 -20.108 1.00 0.00 ATOM 123 CG ARG A 15 9.329 -10.947 -20.339 1.00 0.00 ATOM 124 CD ARG A 15 10.072 -11.455 -21.553 1.00 0.00 ATOM 125 NE ARG A 15 10.306 -12.894 -21.393 1.00 0.00 ATOM 126 CZ ARG A 15 11.365 -13.428 -20.792 1.00 0.00 ATOM 127 NH1 ARG A 15 12.336 -12.643 -20.308 1.00 0.00 ATOM 128 NH2 ARG A 15 11.482 -14.730 -20.677 1.00 0.00 ATOM 129 O ARG A 15 4.852 -11.131 -20.080 1.00 0.00 ATOM 130 C ARG A 15 5.718 -11.646 -19.399 1.00 0.00 ATOM 131 N TYR A 16 5.514 -12.807 -18.785 1.00 0.00 ATOM 132 CA TYR A 16 4.277 -13.539 -19.059 1.00 0.00 ATOM 133 CB TYR A 16 4.321 -15.003 -18.585 1.00 0.00 ATOM 134 CG TYR A 16 5.326 -15.821 -19.371 1.00 0.00 ATOM 135 CD1 TYR A 16 5.200 -15.944 -20.760 1.00 0.00 ATOM 136 CD2 TYR A 16 6.383 -16.469 -18.756 1.00 0.00 ATOM 137 CE1 TYR A 16 6.115 -16.676 -21.480 1.00 0.00 ATOM 138 CE2 TYR A 16 7.305 -17.194 -19.474 1.00 0.00 ATOM 139 CZ TYR A 16 7.162 -17.299 -20.845 1.00 0.00 ATOM 140 OH TYR A 16 8.077 -18.016 -21.575 1.00 0.00 ATOM 141 O TYR A 16 1.957 -12.883 -19.147 1.00 0.00 ATOM 142 C TYR A 16 2.990 -12.879 -18.492 1.00 0.00 ATOM 143 N ASP A 17 3.031 -12.341 -17.290 1.00 0.00 ATOM 144 CA ASP A 17 1.892 -11.543 -16.783 1.00 0.00 ATOM 145 CB ASP A 17 2.103 -11.092 -15.372 1.00 0.00 ATOM 146 CG ASP A 17 2.102 -12.267 -14.414 1.00 0.00 ATOM 147 OD1 ASP A 17 3.193 -12.596 -13.897 1.00 0.00 ATOM 148 OD2 ASP A 17 1.045 -12.866 -14.189 1.00 0.00 ATOM 149 O ASP A 17 0.427 -9.973 -17.949 1.00 0.00 ATOM 150 C ASP A 17 1.567 -10.279 -17.660 1.00 0.00 ATOM 151 N THR A 18 2.596 -9.616 -18.112 1.00 0.00 ATOM 152 CA THR A 18 2.360 -8.499 -19.081 1.00 0.00 ATOM 153 CB THR A 18 3.697 -7.804 -19.409 1.00 0.00 ATOM 154 CG2 THR A 18 3.455 -6.593 -20.298 1.00 0.00 ATOM 155 OG1 THR A 18 4.330 -7.384 -18.194 1.00 0.00 ATOM 156 O THR A 18 0.830 -8.398 -20.923 1.00 0.00 ATOM 157 C THR A 18 1.685 -9.053 -20.332 1.00 0.00 ATOM 158 N GLN A 19 2.058 -10.305 -20.726 1.00 0.00 ATOM 159 CA GLN A 19 1.473 -10.907 -21.917 1.00 0.00 ATOM 160 CB GLN A 19 2.369 -12.070 -22.330 1.00 0.00 ATOM 161 CG GLN A 19 2.075 -12.784 -23.606 1.00 0.00 ATOM 162 CD GLN A 19 3.309 -13.624 -24.040 1.00 0.00 ATOM 163 OE1 GLN A 19 3.774 -14.492 -23.279 1.00 0.00 ATOM 164 NE2 GLN A 19 3.867 -13.320 -25.223 1.00 0.00 ATOM 165 O GLN A 19 -0.817 -10.966 -22.619 1.00 0.00 ATOM 166 C GLN A 19 0.005 -11.265 -21.751 1.00 0.00 ATOM 167 N ILE A 20 -0.366 -11.905 -20.638 1.00 0.00 ATOM 168 CA ILE A 20 -1.752 -12.254 -20.376 1.00 0.00 ATOM 169 CB ILE A 20 -1.876 -13.082 -19.084 1.00 0.00 ATOM 170 CG1 ILE A 20 -1.242 -14.462 -19.272 1.00 0.00 ATOM 171 CG2 ILE A 20 -3.338 -13.270 -18.711 1.00 0.00 ATOM 172 CD1 ILE A 20 -1.082 -15.241 -17.984 1.00 0.00 ATOM 173 O ILE A 20 -3.646 -10.849 -20.828 1.00 0.00 ATOM 174 C ILE A 20 -2.576 -10.981 -20.233 1.00 0.00 ATOM 175 N HIS A 21 -2.076 -10.031 -19.446 1.00 0.00 ATOM 176 CA HIS A 21 -2.738 -8.789 -19.217 1.00 0.00 ATOM 177 CB HIS A 21 -1.949 -7.971 -18.119 1.00 0.00 ATOM 178 CG HIS A 21 -2.358 -6.559 -17.987 1.00 0.00 ATOM 179 CD2 HIS A 21 -1.866 -5.362 -18.419 1.00 0.00 ATOM 180 ND1 HIS A 21 -3.490 -6.174 -17.300 1.00 0.00 ATOM 181 CE1 HIS A 21 -3.663 -4.882 -17.332 1.00 0.00 ATOM 182 NE2 HIS A 21 -2.678 -4.337 -18.004 1.00 0.00 ATOM 183 O HIS A 21 -4.015 -7.328 -20.672 1.00 0.00 ATOM 184 C HIS A 21 -3.003 -7.951 -20.449 1.00 0.00 ATOM 185 N ASN A 22 -1.967 -7.889 -21.326 1.00 0.00 ATOM 186 CA ASN A 22 -2.100 -7.154 -22.580 1.00 0.00 ATOM 187 CB ASN A 22 -0.789 -7.201 -23.368 1.00 0.00 ATOM 188 CG ASN A 22 0.299 -6.354 -22.738 1.00 0.00 ATOM 189 ND2 ASN A 22 1.549 -6.653 -23.073 1.00 0.00 ATOM 190 OD1 ASN A 22 0.018 -5.442 -21.960 1.00 0.00 ATOM 191 O ASN A 22 -4.018 -7.058 -23.995 1.00 0.00 ATOM 192 C ASN A 22 -3.212 -7.767 -23.405 1.00 0.00 ATOM 193 N GLN A 23 -3.290 -9.122 -23.466 1.00 0.00 ATOM 194 CA GLN A 23 -4.340 -9.783 -24.222 1.00 0.00 ATOM 195 CB GLN A 23 -4.134 -11.297 -24.143 1.00 0.00 ATOM 196 CG GLN A 23 -2.925 -11.800 -24.913 1.00 0.00 ATOM 197 CD GLN A 23 -2.676 -13.281 -24.706 1.00 0.00 ATOM 198 OE1 GLN A 23 -3.363 -13.931 -23.917 1.00 0.00 ATOM 199 NE2 GLN A 23 -1.690 -13.820 -25.413 1.00 0.00 ATOM 200 O GLN A 23 -6.667 -9.099 -24.378 1.00 0.00 ATOM 201 C GLN A 23 -5.695 -9.454 -23.666 1.00 0.00 ATOM 202 N LYS A 24 -5.870 -9.569 -22.332 1.00 0.00 ATOM 203 CA LYS A 24 -7.112 -9.196 -21.653 1.00 0.00 ATOM 204 CB LYS A 24 -6.948 -9.313 -20.136 1.00 0.00 ATOM 205 CG LYS A 24 -8.205 -8.979 -19.350 1.00 0.00 ATOM 206 CD LYS A 24 -7.992 -9.178 -17.858 1.00 0.00 ATOM 207 CE LYS A 24 -9.233 -8.796 -17.067 1.00 0.00 ATOM 208 NZ LYS A 24 -9.045 -9.005 -15.605 1.00 0.00 ATOM 209 O LYS A 24 -8.687 -7.529 -22.308 1.00 0.00 ATOM 210 C LYS A 24 -7.487 -7.776 -21.984 1.00 0.00 ATOM 211 N ASP A 25 -6.579 -6.825 -21.874 1.00 0.00 ATOM 212 CA ASP A 25 -6.921 -5.421 -22.089 1.00 0.00 ATOM 213 CB ASP A 25 -5.688 -4.534 -21.905 1.00 0.00 ATOM 214 CG ASP A 25 -5.265 -4.415 -20.455 1.00 0.00 ATOM 215 OD1 ASP A 25 -6.054 -4.814 -19.572 1.00 0.00 ATOM 216 OD2 ASP A 25 -4.147 -3.922 -20.200 1.00 0.00 ATOM 217 O ASP A 25 -8.593 -4.718 -23.629 1.00 0.00 ATOM 218 C ASP A 25 -7.475 -5.262 -23.558 1.00 0.00 ATOM 219 N ASN A 26 -6.690 -5.722 -24.450 1.00 0.00 ATOM 220 CA ASN A 26 -7.114 -5.593 -25.921 1.00 0.00 ATOM 221 CB ASN A 26 -5.966 -6.183 -26.748 1.00 0.00 ATOM 222 CG ASN A 26 -6.168 -5.861 -28.205 1.00 0.00 ATOM 223 ND2 ASN A 26 -6.186 -4.598 -28.511 1.00 0.00 ATOM 224 OD1 ASN A 26 -6.291 -6.777 -29.070 1.00 0.00 ATOM 225 O ASN A 26 -9.314 -5.695 -26.895 1.00 0.00 ATOM 226 C ASN A 26 -8.458 -6.265 -26.189 1.00 0.00 ATOM 227 N ASP A 27 -8.687 -7.377 -25.583 1.00 0.00 ATOM 228 CA ASP A 27 -9.956 -8.118 -25.769 1.00 0.00 ATOM 229 CB ASP A 27 -9.944 -9.434 -24.988 1.00 0.00 ATOM 230 CG ASP A 27 -9.045 -10.478 -25.620 1.00 0.00 ATOM 231 OD1 ASP A 27 -8.597 -10.261 -26.767 1.00 0.00 ATOM 232 OD2 ASP A 27 -8.787 -11.514 -24.971 1.00 0.00 ATOM 233 O ASP A 27 -12.277 -7.475 -25.789 1.00 0.00 ATOM 234 C ASP A 27 -11.134 -7.319 -25.277 1.00 0.00 ATOM 235 N ASN A 28 -10.949 -6.529 -24.241 1.00 0.00 ATOM 236 CA ASN A 28 -11.918 -5.717 -23.590 1.00 0.00 ATOM 237 CB ASN A 28 -11.625 -5.629 -22.091 1.00 0.00 ATOM 238 CG ASN A 28 -11.872 -6.940 -21.371 1.00 0.00 ATOM 239 ND2 ASN A 28 -11.162 -7.151 -20.269 1.00 0.00 ATOM 240 OD1 ASN A 28 -12.692 -7.750 -21.802 1.00 0.00 ATOM 241 O ASN A 28 -12.628 -3.459 -23.534 1.00 0.00 ATOM 242 C ASN A 28 -11.946 -4.304 -24.126 1.00 0.00 ATOM 243 N GLU A 29 -11.256 -4.066 -25.215 1.00 0.00 ATOM 244 CA GLU A 29 -11.198 -2.771 -25.873 1.00 0.00 ATOM 245 CB GLU A 29 -12.606 -2.202 -26.060 1.00 0.00 ATOM 246 CG GLU A 29 -13.563 -3.137 -26.779 1.00 0.00 ATOM 247 CD GLU A 29 -13.132 -3.430 -28.203 1.00 0.00 ATOM 248 OE1 GLU A 29 -12.187 -2.773 -28.685 1.00 0.00 ATOM 249 OE2 GLU A 29 -13.741 -4.319 -28.836 1.00 0.00 ATOM 250 O GLU A 29 -10.972 -0.451 -25.147 1.00 0.00 ATOM 251 C GLU A 29 -10.574 -1.639 -25.056 1.00 0.00 ATOM 252 N VAL A 30 -9.512 -2.011 -24.323 1.00 0.00 ATOM 253 CA VAL A 30 -8.622 -1.062 -23.640 1.00 0.00 ATOM 254 CB VAL A 30 -8.636 -1.322 -22.122 1.00 0.00 ATOM 255 CG1 VAL A 30 -7.714 -0.346 -21.406 1.00 0.00 ATOM 256 CG2 VAL A 30 -10.042 -1.153 -21.565 1.00 0.00 ATOM 257 O VAL A 30 -6.557 -2.210 -24.024 1.00 0.00 ATOM 258 C VAL A 30 -7.196 -1.168 -24.163 1.00 0.00 ATOM 259 N PRO A 31 -6.687 -0.121 -24.760 1.00 0.00 ATOM 260 CA PRO A 31 -5.316 -0.160 -25.277 1.00 0.00 ATOM 261 CB PRO A 31 -5.126 1.243 -25.844 1.00 0.00 ATOM 262 CG PRO A 31 -6.509 1.598 -26.301 1.00 0.00 ATOM 263 CD PRO A 31 -7.359 1.132 -25.147 1.00 0.00 ATOM 264 O PRO A 31 -4.368 0.075 -23.081 1.00 0.00 ATOM 265 C PRO A 31 -4.317 -0.497 -24.171 1.00 0.00 ATOM 266 N VAL A 32 -3.430 -1.412 -24.469 1.00 0.00 ATOM 267 CA VAL A 32 -2.439 -1.824 -23.490 1.00 0.00 ATOM 268 CB VAL A 32 -1.621 -3.071 -23.949 1.00 0.00 ATOM 269 CG1 VAL A 32 -0.368 -3.227 -23.123 1.00 0.00 ATOM 270 CG2 VAL A 32 -2.469 -4.322 -23.806 1.00 0.00 ATOM 271 O VAL A 32 -1.139 -0.583 -21.917 1.00 0.00 ATOM 272 C VAL A 32 -1.493 -0.694 -23.086 1.00 0.00 ATOM 273 N HIS A 33 -1.084 0.143 -24.000 1.00 0.00 ATOM 274 CA HIS A 33 -0.165 1.235 -23.674 1.00 0.00 ATOM 275 CB HIS A 33 0.322 1.967 -24.931 1.00 0.00 ATOM 276 CG HIS A 33 -0.771 2.618 -25.718 1.00 0.00 ATOM 277 CD2 HIS A 33 -1.530 2.157 -26.738 1.00 0.00 ATOM 278 ND1 HIS A 33 -1.176 3.917 -25.500 1.00 0.00 ATOM 279 CE1 HIS A 33 -2.135 4.226 -26.347 1.00 0.00 ATOM 280 NE2 HIS A 33 -2.373 3.174 -27.115 1.00 0.00 ATOM 281 O HIS A 33 -0.155 3.122 -22.204 1.00 0.00 ATOM 282 C HIS A 33 -0.835 2.304 -22.819 1.00 0.00 ATOM 283 N GLN A 34 -2.138 2.275 -22.766 1.00 0.00 ATOM 284 CA GLN A 34 -2.868 3.231 -21.945 1.00 0.00 ATOM 285 CB GLN A 34 -4.378 3.030 -22.078 1.00 0.00 ATOM 286 CG GLN A 34 -5.208 3.963 -21.211 1.00 0.00 ATOM 287 CD GLN A 34 -6.698 3.748 -21.386 1.00 0.00 ATOM 288 OE1 GLN A 34 -7.125 2.827 -22.082 1.00 0.00 ATOM 289 NE2 GLN A 34 -7.496 4.600 -20.751 1.00 0.00 ATOM 290 O GLN A 34 -2.397 3.942 -19.704 1.00 0.00 ATOM 291 C GLN A 34 -2.503 2.996 -20.484 1.00 0.00 ATOM 292 N VAL A 35 -2.311 1.732 -20.113 1.00 0.00 ATOM 293 CA VAL A 35 -1.953 1.381 -18.744 1.00 0.00 ATOM 294 CB VAL A 35 -1.951 -0.146 -18.534 1.00 0.00 ATOM 295 CG1 VAL A 35 -1.395 -0.494 -17.163 1.00 0.00 ATOM 296 CG2 VAL A 35 -3.366 -0.697 -18.634 1.00 0.00 ATOM 297 O VAL A 35 -0.336 2.468 -17.342 1.00 0.00 ATOM 298 C VAL A 35 -0.558 1.902 -18.410 1.00 0.00 ATOM 299 N SER A 36 0.395 1.651 -19.390 1.00 0.00 ATOM 300 CA SER A 36 1.774 2.094 -19.205 1.00 0.00 ATOM 301 CB SER A 36 2.637 1.668 -20.394 1.00 0.00 ATOM 302 OG SER A 36 2.765 0.257 -20.452 1.00 0.00 ATOM 303 O SER A 36 2.498 4.149 -18.183 1.00 0.00 ATOM 304 C SER A 36 1.841 3.616 -19.085 1.00 0.00 ATOM 305 N TYR A 37 1.151 4.312 -19.984 1.00 0.00 ATOM 306 CA TYR A 37 1.140 5.770 -19.959 1.00 0.00 ATOM 307 CB TYR A 37 -0.283 6.131 -20.740 1.00 0.00 ATOM 308 CG TYR A 37 -0.508 7.542 -21.221 1.00 0.00 ATOM 309 CD1 TYR A 37 -0.177 7.910 -22.530 1.00 0.00 ATOM 310 CD2 TYR A 37 -1.057 8.514 -20.375 1.00 0.00 ATOM 311 CE1 TYR A 37 -0.385 9.214 -22.987 1.00 0.00 ATOM 312 CE2 TYR A 37 -1.263 9.804 -20.831 1.00 0.00 ATOM 313 CZ TYR A 37 -0.930 10.144 -22.119 1.00 0.00 ATOM 314 OH TYR A 37 -1.140 11.436 -22.540 1.00 0.00 ATOM 315 O TYR A 37 1.196 7.173 -18.020 1.00 0.00 ATOM 316 C TYR A 37 0.607 6.286 -18.625 1.00 0.00 ATOM 317 N THR A 38 -0.507 5.729 -18.162 1.00 0.00 ATOM 318 CA THR A 38 -1.073 6.166 -16.893 1.00 0.00 ATOM 319 CB THR A 38 -2.358 5.389 -16.550 1.00 0.00 ATOM 320 CG2 THR A 38 -2.907 5.834 -15.204 1.00 0.00 ATOM 321 OG1 THR A 38 -3.348 5.629 -17.557 1.00 0.00 ATOM 322 O THR A 38 -0.038 6.805 -14.804 1.00 0.00 ATOM 323 C THR A 38 -0.142 5.968 -15.705 1.00 0.00 ATOM 324 N ASN A 39 0.605 4.883 -15.687 1.00 0.00 ATOM 325 CA ASN A 39 1.653 4.697 -14.681 1.00 0.00 ATOM 326 CB ASN A 39 2.303 3.319 -14.815 1.00 0.00 ATOM 327 CG ASN A 39 1.354 2.189 -14.467 1.00 0.00 ATOM 328 ND2 ASN A 39 1.659 0.991 -14.949 1.00 0.00 ATOM 329 OD1 ASN A 39 0.359 2.395 -13.771 1.00 0.00 ATOM 330 O ASN A 39 3.148 6.265 -13.707 1.00 0.00 ATOM 331 C ASN A 39 2.725 5.771 -14.726 1.00 0.00 ATOM 332 N LEU A 40 3.137 6.175 -15.918 1.00 0.00 ATOM 333 CA LEU A 40 4.151 7.214 -16.051 1.00 0.00 ATOM 334 CB LEU A 40 4.629 7.328 -17.499 1.00 0.00 ATOM 335 CG LEU A 40 5.416 6.138 -18.049 1.00 0.00 ATOM 336 CD1 LEU A 40 5.671 6.303 -19.540 1.00 0.00 ATOM 337 CD2 LEU A 40 6.760 6.011 -17.349 1.00 0.00 ATOM 338 O LEU A 40 4.249 9.323 -14.904 1.00 0.00 ATOM 339 C LEU A 40 3.571 8.537 -15.574 1.00 0.00 ATOM 340 N ALA A 41 2.315 8.788 -15.925 1.00 0.00 ATOM 341 CA ALA A 41 1.671 10.034 -15.522 1.00 0.00 ATOM 342 CB ALA A 41 0.257 10.114 -16.079 1.00 0.00 ATOM 343 O ALA A 41 1.728 11.197 -13.423 1.00 0.00 ATOM 344 C ALA A 41 1.625 10.122 -13.999 1.00 0.00 ATOM 345 N GLU A 42 1.437 8.992 -13.314 1.00 0.00 ATOM 346 CA GLU A 42 1.351 9.004 -11.860 1.00 0.00 ATOM 347 CB GLU A 42 1.086 7.594 -11.329 1.00 0.00 ATOM 348 CG GLU A 42 -0.315 7.075 -11.619 1.00 0.00 ATOM 349 CD GLU A 42 -0.511 5.643 -11.162 1.00 0.00 ATOM 350 OE1 GLU A 42 0.468 5.031 -10.686 1.00 0.00 ATOM 351 OE2 GLU A 42 -1.644 5.132 -11.284 1.00 0.00 ATOM 352 O GLU A 42 2.593 10.106 -10.129 1.00 0.00 ATOM 353 C GLU A 42 2.631 9.502 -11.199 1.00 0.00 ATOM 354 N MET A 43 3.768 9.231 -11.828 1.00 0.00 ATOM 355 CA MET A 43 5.054 9.637 -11.280 1.00 0.00 ATOM 356 CB MET A 43 6.158 8.682 -11.740 1.00 0.00 ATOM 357 CG MET A 43 5.984 7.253 -11.257 1.00 0.00 ATOM 358 SD MET A 43 5.932 7.129 -9.458 1.00 0.00 ATOM 359 CE MET A 43 7.611 7.585 -9.038 1.00 0.00 ATOM 360 O MET A 43 6.289 11.679 -11.082 1.00 0.00 ATOM 361 C MET A 43 5.390 11.091 -11.680 1.00 0.00 ATOM 362 N VAL A 44 4.711 11.712 -12.731 1.00 0.00 ATOM 363 CA VAL A 44 5.124 13.030 -13.272 1.00 0.00 ATOM 364 CB VAL A 44 4.129 13.537 -14.332 1.00 0.00 ATOM 365 CG1 VAL A 44 4.447 14.975 -14.716 1.00 0.00 ATOM 366 CG2 VAL A 44 4.200 12.678 -15.584 1.00 0.00 ATOM 367 O VAL A 44 6.284 14.716 -12.012 1.00 0.00 ATOM 368 C VAL A 44 5.215 14.144 -12.222 1.00 0.00 ATOM 369 N GLY A 45 4.099 14.453 -11.565 1.00 0.00 ATOM 370 CA GLY A 45 4.081 15.507 -10.549 1.00 0.00 ATOM 371 O GLY A 45 5.732 16.115 -8.912 1.00 0.00 ATOM 372 C GLY A 45 5.026 15.220 -9.379 1.00 0.00 ATOM 373 N GLU A 46 5.044 13.974 -8.880 1.00 0.00 ATOM 374 CA GLU A 46 5.943 13.659 -7.762 1.00 0.00 ATOM 375 CB GLU A 46 5.779 12.199 -7.337 1.00 0.00 ATOM 376 CG GLU A 46 4.466 11.901 -6.634 1.00 0.00 ATOM 377 CD GLU A 46 4.284 10.426 -6.337 1.00 0.00 ATOM 378 OE1 GLU A 46 5.153 9.626 -6.748 1.00 0.00 ATOM 379 OE2 GLU A 46 3.275 10.067 -5.694 1.00 0.00 ATOM 380 O GLU A 46 8.216 14.342 -7.342 1.00 0.00 ATOM 381 C GLU A 46 7.408 13.872 -8.147 1.00 0.00 ATOM 382 N MET A 47 7.751 13.483 -9.370 1.00 0.00 ATOM 383 CA MET A 47 9.114 13.626 -9.862 1.00 0.00 ATOM 384 CB MET A 47 9.268 12.940 -11.222 1.00 0.00 ATOM 385 CG MET A 47 9.186 11.424 -11.164 1.00 0.00 ATOM 386 SD MET A 47 10.477 10.696 -10.137 1.00 0.00 ATOM 387 CE MET A 47 11.931 11.046 -11.121 1.00 0.00 ATOM 388 O MET A 47 10.582 15.518 -9.685 1.00 0.00 ATOM 389 C MET A 47 9.475 15.098 -10.024 1.00 0.00 ATOM 390 N ASN A 48 8.537 15.882 -10.547 1.00 0.00 ATOM 391 CA ASN A 48 8.779 17.302 -10.748 1.00 0.00 ATOM 392 CB ASN A 48 7.586 17.954 -11.450 1.00 0.00 ATOM 393 CG ASN A 48 7.495 17.578 -12.914 1.00 0.00 ATOM 394 ND2 ASN A 48 6.312 17.746 -13.496 1.00 0.00 ATOM 395 OD1 ASN A 48 8.478 17.142 -13.516 1.00 0.00 ATOM 396 O ASN A 48 9.883 18.844 -9.270 1.00 0.00 ATOM 397 C ASN A 48 9.000 17.996 -9.401 1.00 0.00 ATOM 398 N LYS A 49 8.220 17.630 -8.410 1.00 0.00 ATOM 399 CA LYS A 49 8.351 18.228 -7.086 1.00 0.00 ATOM 400 CB LYS A 49 7.196 17.793 -6.181 1.00 0.00 ATOM 401 CG LYS A 49 5.848 18.374 -6.574 1.00 0.00 ATOM 402 CD LYS A 49 4.750 17.906 -5.632 1.00 0.00 ATOM 403 CE LYS A 49 3.396 18.459 -6.043 1.00 0.00 ATOM 404 NZ LYS A 49 2.306 17.990 -5.143 1.00 0.00 ATOM 405 O LYS A 49 10.354 18.656 -5.850 1.00 0.00 ATOM 406 C LYS A 49 9.661 17.823 -6.423 1.00 0.00 ATOM 407 N LEU A 50 10.002 16.542 -6.511 1.00 0.00 ATOM 408 CA LEU A 50 11.225 16.038 -5.896 1.00 0.00 ATOM 409 CB LEU A 50 11.346 14.526 -6.104 1.00 0.00 ATOM 410 CG LEU A 50 10.345 13.655 -5.342 1.00 0.00 ATOM 411 CD1 LEU A 50 10.458 12.203 -5.778 1.00 0.00 ATOM 412 CD2 LEU A 50 10.601 13.724 -3.845 1.00 0.00 ATOM 413 O LEU A 50 13.421 17.068 -5.682 1.00 0.00 ATOM 414 C LEU A 50 12.472 16.738 -6.432 1.00 0.00 ATOM 415 N LEU A 51 12.446 17.042 -7.836 1.00 0.00 ATOM 416 CA LEU A 51 13.614 17.680 -8.476 1.00 0.00 ATOM 417 CB LEU A 51 13.975 16.910 -9.749 1.00 0.00 ATOM 418 CG LEU A 51 14.339 15.434 -9.567 1.00 0.00 ATOM 419 CD1 LEU A 51 14.559 14.766 -10.916 1.00 0.00 ATOM 420 CD2 LEU A 51 15.615 15.291 -8.752 1.00 0.00 ATOM 421 O LEU A 51 14.336 19.719 -9.519 1.00 0.00 ATOM 422 C LEU A 51 13.452 19.143 -8.879 1.00 0.00 ATOM 423 N GLU A 52 12.331 19.744 -8.492 1.00 0.00 ATOM 424 CA GLU A 52 12.081 21.141 -8.812 1.00 0.00 ATOM 425 CB GLU A 52 13.181 22.037 -8.239 1.00 0.00 ATOM 426 CG GLU A 52 13.275 22.008 -6.722 1.00 0.00 ATOM 427 CD GLU A 52 14.354 22.929 -6.187 1.00 0.00 ATOM 428 OE1 GLU A 52 15.069 23.545 -7.006 1.00 0.00 ATOM 429 OE2 GLU A 52 14.484 23.037 -4.950 1.00 0.00 ATOM 430 O GLU A 52 12.432 22.480 -10.766 1.00 0.00 ATOM 431 C GLU A 52 11.999 21.425 -10.300 1.00 0.00 ATOM 432 N PRO A 53 11.428 20.486 -11.047 1.00 0.00 ATOM 433 CA PRO A 53 11.299 20.632 -12.492 1.00 0.00 ATOM 434 CB PRO A 53 12.056 19.469 -13.007 1.00 0.00 ATOM 435 CG PRO A 53 11.737 18.353 -11.953 1.00 0.00 ATOM 436 CD PRO A 53 11.247 19.072 -10.664 1.00 0.00 ATOM 437 O PRO A 53 9.180 21.686 -11.921 1.00 0.00 ATOM 438 C PRO A 53 10.084 21.548 -12.756 1.00 0.00 ATOM 439 N SER A 54 10.121 22.212 -13.909 1.00 0.00 ATOM 440 CA SER A 54 9.094 23.184 -14.235 1.00 0.00 ATOM 441 CB SER A 54 9.616 24.551 -14.676 1.00 0.00 ATOM 442 OG SER A 54 10.284 25.210 -13.615 1.00 0.00 ATOM 443 O SER A 54 7.072 22.816 -15.471 1.00 0.00 ATOM 444 C SER A 54 8.288 22.640 -15.414 1.00 0.00 ATOM 445 N GLN A 55 8.957 21.985 -16.355 1.00 0.00 ATOM 446 CA GLN A 55 8.271 21.469 -17.534 1.00 0.00 ATOM 447 CB GLN A 55 8.511 22.231 -18.693 1.00 0.00 ATOM 448 CG GLN A 55 7.425 23.280 -18.726 1.00 0.00 ATOM 449 CD GLN A 55 7.481 24.111 -19.991 1.00 0.00 ATOM 450 OE1 GLN A 55 8.480 24.780 -20.270 1.00 0.00 ATOM 451 NE2 GLN A 55 6.408 24.070 -20.770 1.00 0.00 ATOM 452 O GLN A 55 9.903 19.864 -18.265 1.00 0.00 ATOM 453 C GLN A 55 8.750 20.065 -17.886 1.00 0.00 ATOM 454 N VAL A 56 7.848 19.097 -17.759 1.00 0.00 ATOM 455 CA VAL A 56 8.166 17.704 -18.053 1.00 0.00 ATOM 456 CB VAL A 56 8.548 16.911 -16.790 1.00 0.00 ATOM 457 CG1 VAL A 56 8.829 15.457 -17.136 1.00 0.00 ATOM 458 CG2 VAL A 56 9.793 17.501 -16.147 1.00 0.00 ATOM 459 O VAL A 56 5.810 17.342 -18.309 1.00 0.00 ATOM 460 C VAL A 56 6.947 17.053 -18.685 1.00 0.00 ATOM 461 N HIS A 57 7.185 16.168 -19.644 1.00 0.00 ATOM 462 CA HIS A 57 6.080 15.484 -20.288 1.00 0.00 ATOM 463 CB HIS A 57 5.762 16.132 -21.636 1.00 0.00 ATOM 464 CG HIS A 57 5.374 17.574 -21.539 1.00 0.00 ATOM 465 CD2 HIS A 57 6.048 18.848 -21.743 1.00 0.00 ATOM 466 ND1 HIS A 57 4.108 17.981 -21.177 1.00 0.00 ATOM 467 CE1 HIS A 57 4.064 19.325 -21.176 1.00 0.00 ATOM 468 NE2 HIS A 57 5.224 19.852 -21.515 1.00 0.00 ATOM 469 O HIS A 57 7.552 13.608 -20.268 1.00 0.00 ATOM 470 C HIS A 57 6.423 14.028 -20.525 1.00 0.00 ATOM 471 N LEU A 58 5.442 13.277 -20.999 1.00 0.00 ATOM 472 CA LEU A 58 5.677 11.862 -21.280 1.00 0.00 ATOM 473 CB LEU A 58 4.356 11.092 -21.301 1.00 0.00 ATOM 474 CG LEU A 58 3.567 11.062 -19.990 1.00 0.00 ATOM 475 CD1 LEU A 58 2.237 10.350 -20.179 1.00 0.00 ATOM 476 CD2 LEU A 58 4.348 10.331 -18.910 1.00 0.00 ATOM 477 O LEU A 58 6.004 12.378 -23.602 1.00 0.00 ATOM 478 C LEU A 58 6.355 11.705 -22.634 1.00 0.00 ATOM 479 N LYS A 59 7.324 10.786 -22.676 1.00 0.00 ATOM 480 CA LYS A 59 8.077 10.524 -23.890 1.00 0.00 ATOM 481 CB LYS A 59 9.245 10.737 -24.288 1.00 0.00 ATOM 482 CG LYS A 59 9.521 10.028 -25.618 1.00 0.00 ATOM 483 CD LYS A 59 10.891 10.342 -26.230 1.00 0.00 ATOM 484 CE LYS A 59 10.961 10.041 -27.736 1.00 0.00 ATOM 485 NZ LYS A 59 12.302 10.196 -28.371 1.00 0.00 ATOM 486 O LYS A 59 7.724 8.160 -23.795 1.00 0.00 ATOM 487 C LYS A 59 7.631 9.191 -24.462 1.00 0.00 ATOM 488 N PHE A 60 7.208 9.207 -25.719 1.00 0.00 ATOM 489 CA PHE A 60 6.752 8.001 -26.397 1.00 0.00 ATOM 490 CB PHE A 60 5.297 8.170 -26.864 1.00 0.00 ATOM 491 CG PHE A 60 4.337 8.463 -25.751 1.00 0.00 ATOM 492 CD1 PHE A 60 4.135 9.766 -25.303 1.00 0.00 ATOM 493 CD2 PHE A 60 3.648 7.424 -25.135 1.00 0.00 ATOM 494 CE1 PHE A 60 3.256 10.026 -24.252 1.00 0.00 ATOM 495 CE2 PHE A 60 2.771 7.674 -24.087 1.00 0.00 ATOM 496 CZ PHE A 60 2.573 8.970 -23.645 1.00 0.00 ATOM 497 O PHE A 60 8.228 8.522 -28.209 1.00 0.00 ATOM 498 C PHE A 60 7.736 7.643 -27.503 1.00 0.00 ATOM 499 N GLU A 61 8.034 6.355 -27.648 1.00 0.00 ATOM 500 CA GLU A 61 8.953 5.931 -28.691 1.00 0.00 ATOM 501 CB GLU A 61 10.353 5.691 -28.117 1.00 0.00 ATOM 502 CG GLU A 61 10.964 6.923 -27.460 1.00 0.00 ATOM 503 CD GLU A 61 12.469 6.983 -27.624 1.00 0.00 ATOM 504 OE1 GLU A 61 12.936 7.036 -28.783 1.00 0.00 ATOM 505 OE2 GLU A 61 13.186 6.978 -26.600 1.00 0.00 ATOM 506 O GLU A 61 7.917 3.775 -28.835 1.00 0.00 ATOM 507 C GLU A 61 8.453 4.706 -29.437 1.00 0.00 ATOM 508 N LEU A 62 8.605 4.751 -30.736 1.00 0.00 ATOM 509 CA LEU A 62 8.159 3.649 -31.571 1.00 0.00 ATOM 510 CB LEU A 62 6.814 3.991 -32.217 1.00 0.00 ATOM 511 CG LEU A 62 6.026 2.901 -32.947 1.00 0.00 ATOM 512 CD1 LEU A 62 5.787 1.705 -32.033 1.00 0.00 ATOM 513 CD2 LEU A 62 4.700 3.490 -33.408 1.00 0.00 ATOM 514 O LEU A 62 9.518 4.392 -33.357 1.00 0.00 ATOM 515 C LEU A 62 9.197 3.482 -32.633 1.00 0.00 ATOM 516 N HIS A 63 9.699 2.280 -32.742 1.00 0.00 ATOM 517 CA HIS A 63 10.599 1.921 -33.807 1.00 0.00 ATOM 518 CB HIS A 63 11.789 1.096 -33.348 1.00 0.00 ATOM 519 CG HIS A 63 12.818 0.831 -34.399 1.00 0.00 ATOM 520 CD2 HIS A 63 14.015 1.418 -34.643 1.00 0.00 ATOM 521 ND1 HIS A 63 12.654 -0.124 -35.378 1.00 0.00 ATOM 522 CE1 HIS A 63 13.704 -0.115 -36.179 1.00 0.00 ATOM 523 NE2 HIS A 63 14.545 0.811 -35.755 1.00 0.00 ATOM 524 O HIS A 63 9.379 0.080 -34.693 1.00 0.00 ATOM 525 C HIS A 63 9.756 1.249 -34.828 1.00 0.00 ATOM 526 N ASP A 64 9.447 2.008 -35.857 1.00 0.00 ATOM 527 CA ASP A 64 8.520 1.523 -36.858 1.00 0.00 ATOM 528 CB ASP A 64 8.076 2.659 -37.775 1.00 0.00 ATOM 529 CG ASP A 64 9.216 3.388 -38.465 1.00 0.00 ATOM 530 OD1 ASP A 64 10.262 3.615 -37.822 1.00 0.00 ATOM 531 OD2 ASP A 64 9.045 3.728 -39.655 1.00 0.00 ATOM 532 O ASP A 64 8.416 -0.460 -38.241 1.00 0.00 ATOM 533 C ASP A 64 9.133 0.390 -37.693 1.00 0.00 ATOM 534 N LYS A 65 10.440 0.360 -37.796 1.00 0.00 ATOM 535 CA LYS A 65 11.140 -0.716 -38.513 1.00 0.00 ATOM 536 CB LYS A 65 12.634 -0.352 -38.610 1.00 0.00 ATOM 537 CG LYS A 65 13.510 -1.467 -39.159 1.00 0.00 ATOM 538 CD LYS A 65 14.944 -0.992 -39.343 1.00 0.00 ATOM 539 CE LYS A 65 15.818 -2.098 -39.912 1.00 0.00 ATOM 540 NZ LYS A 65 17.195 -1.614 -40.209 1.00 0.00 ATOM 541 O LYS A 65 10.698 -3.064 -38.580 1.00 0.00 ATOM 542 C LYS A 65 10.945 -2.089 -37.876 1.00 0.00 ATOM 543 N LEU A 66 11.050 -2.163 -36.551 1.00 0.00 ATOM 544 CA LEU A 66 10.893 -3.418 -35.823 1.00 0.00 ATOM 545 CB LEU A 66 11.960 -3.655 -34.788 1.00 0.00 ATOM 546 CG LEU A 66 13.363 -3.924 -35.356 1.00 0.00 ATOM 547 CD1 LEU A 66 14.388 -3.982 -34.217 1.00 0.00 ATOM 548 CD2 LEU A 66 13.344 -5.244 -36.140 1.00 0.00 ATOM 549 O LEU A 66 9.220 -4.547 -34.528 1.00 0.00 ATOM 550 C LEU A 66 9.542 -3.524 -35.136 1.00 0.00 ATOM 551 N ASN A 67 8.775 -2.459 -35.220 1.00 0.00 ATOM 552 CA ASN A 67 7.465 -2.446 -34.600 1.00 0.00 ATOM 553 CB ASN A 67 6.381 -3.325 -35.383 1.00 0.00 ATOM 554 CG ASN A 67 6.419 -3.235 -36.906 1.00 0.00 ATOM 555 ND2 ASN A 67 6.904 -4.288 -37.550 1.00 0.00 ATOM 556 OD1 ASN A 67 6.022 -2.225 -37.493 1.00 0.00 ATOM 557 O ASN A 67 6.847 -3.466 -32.515 1.00 0.00 ATOM 558 C ASN A 67 7.632 -2.750 -33.133 1.00 0.00 ATOM 559 N GLU A 68 8.533 -1.940 -32.551 1.00 0.00 ATOM 560 CA GLU A 68 8.768 -2.032 -31.107 1.00 0.00 ATOM 561 CB GLU A 68 10.166 -2.628 -30.884 1.00 0.00 ATOM 562 CG GLU A 68 10.259 -4.113 -31.328 1.00 0.00 ATOM 563 CD GLU A 68 11.633 -4.680 -31.154 1.00 0.00 ATOM 564 OE1 GLU A 68 11.818 -5.550 -30.283 1.00 0.00 ATOM 565 OE2 GLU A 68 12.545 -4.227 -31.875 1.00 0.00 ATOM 566 O GLU A 68 8.603 0.358 -31.063 1.00 0.00 ATOM 567 C GLU A 68 8.512 -0.699 -30.431 1.00 0.00 ATOM 568 N TYR A 69 8.031 -0.634 -28.879 1.00 0.00 ATOM 569 CA TYR A 69 7.709 0.571 -28.132 1.00 0.00 ATOM 570 CB TYR A 69 6.560 0.533 -27.166 1.00 0.00 ATOM 571 CG TYR A 69 5.222 0.690 -27.851 1.00 0.00 ATOM 572 CD1 TYR A 69 4.527 -0.420 -28.317 1.00 0.00 ATOM 573 CD2 TYR A 69 4.672 1.954 -28.071 1.00 0.00 ATOM 574 CE1 TYR A 69 3.325 -0.289 -28.987 1.00 0.00 ATOM 575 CE2 TYR A 69 3.464 2.099 -28.745 1.00 0.00 ATOM 576 CZ TYR A 69 2.799 0.973 -29.200 1.00 0.00 ATOM 577 OH TYR A 69 1.615 1.090 -29.882 1.00 0.00 ATOM 578 O TYR A 69 9.067 -0.020 -26.266 1.00 0.00 ATOM 579 C TYR A 69 8.681 0.891 -26.989 1.00 0.00 ATOM 580 N TYR A 70 9.106 2.135 -26.927 1.00 0.00 ATOM 581 CA TYR A 70 10.034 2.592 -25.863 1.00 0.00 ATOM 582 CB TYR A 70 11.228 3.297 -26.457 1.00 0.00 ATOM 583 CG TYR A 70 12.089 2.370 -27.277 1.00 0.00 ATOM 584 CD1 TYR A 70 12.998 1.510 -26.666 1.00 0.00 ATOM 585 CD2 TYR A 70 11.976 2.330 -28.669 1.00 0.00 ATOM 586 CE1 TYR A 70 13.803 0.653 -27.403 1.00 0.00 ATOM 587 CE2 TYR A 70 12.760 1.466 -29.409 1.00 0.00 ATOM 588 CZ TYR A 70 13.675 0.638 -28.781 1.00 0.00 ATOM 589 OH TYR A 70 14.492 -0.175 -29.527 1.00 0.00 ATOM 590 O TYR A 70 8.601 4.538 -25.859 1.00 0.00 ATOM 591 C TYR A 70 9.187 3.666 -25.198 1.00 0.00 ATOM 592 N VAL A 71 9.116 3.639 -23.873 1.00 0.00 ATOM 593 CA VAL A 71 8.229 4.599 -23.197 1.00 0.00 ATOM 594 CB VAL A 71 6.771 4.024 -22.946 1.00 0.00 ATOM 595 CG1 VAL A 71 5.815 5.105 -22.414 1.00 0.00 ATOM 596 CG2 VAL A 71 6.162 3.418 -24.181 1.00 0.00 ATOM 597 O VAL A 71 8.939 4.537 -20.908 1.00 0.00 ATOM 598 C VAL A 71 8.833 5.206 -21.939 1.00 0.00 ATOM 599 N LYS A 72 9.062 6.699 -21.726 1.00 0.00 ATOM 600 CA LYS A 72 9.672 7.379 -20.585 1.00 0.00 ATOM 601 CB LYS A 72 11.174 7.439 -20.873 1.00 0.00 ATOM 602 CG LYS A 72 11.994 8.076 -19.762 1.00 0.00 ATOM 603 CD LYS A 72 12.051 7.178 -18.536 1.00 0.00 ATOM 604 CE LYS A 72 12.954 7.765 -17.465 1.00 0.00 ATOM 605 NZ LYS A 72 13.007 6.905 -16.250 1.00 0.00 ATOM 606 O LYS A 72 8.010 9.096 -20.579 1.00 0.00 ATOM 607 C LYS A 72 9.186 8.795 -20.389 1.00 0.00 ATOM 608 N VAL A 73 10.133 9.658 -20.127 1.00 0.00 ATOM 609 CA VAL A 73 9.823 11.053 -19.863 1.00 0.00 ATOM 610 CB VAL A 73 9.915 11.377 -18.360 1.00 0.00 ATOM 611 CG1 VAL A 73 8.890 10.571 -17.578 1.00 0.00 ATOM 612 CG2 VAL A 73 11.299 11.040 -17.827 1.00 0.00 ATOM 613 O VAL A 73 11.929 11.629 -20.814 1.00 0.00 ATOM 614 C VAL A 73 10.779 11.978 -20.585 1.00 0.00 ATOM 615 N ILE A 74 10.335 13.143 -20.850 1.00 0.00 ATOM 616 CA ILE A 74 11.190 14.145 -21.463 1.00 0.00 ATOM 617 CB ILE A 74 10.711 14.503 -22.882 1.00 0.00 ATOM 618 CG1 ILE A 74 10.729 13.263 -23.779 1.00 0.00 ATOM 619 CG2 ILE A 74 11.617 15.558 -23.500 1.00 0.00 ATOM 620 CD1 ILE A 74 10.087 13.480 -25.132 1.00 0.00 ATOM 621 O ILE A 74 9.997 15.844 -20.274 1.00 0.00 ATOM 622 C ILE A 74 11.086 15.346 -20.551 1.00 0.00 ATOM 623 N GLU A 75 12.242 15.769 -20.059 1.00 0.00 ATOM 624 CA GLU A 75 12.346 16.891 -19.148 1.00 0.00 ATOM 625 CB GLU A 75 13.315 16.558 -18.012 1.00 0.00 ATOM 626 CG GLU A 75 12.842 15.437 -17.103 1.00 0.00 ATOM 627 CD GLU A 75 13.791 15.186 -15.946 1.00 0.00 ATOM 628 OE1 GLU A 75 14.847 15.848 -15.891 1.00 0.00 ATOM 629 OE2 GLU A 75 13.477 14.325 -15.096 1.00 0.00 ATOM 630 O GLU A 75 13.813 18.031 -20.652 1.00 0.00 ATOM 631 C GLU A 75 12.863 18.118 -19.873 1.00 0.00 ATOM 632 N ASP A 76 12.216 19.250 -19.636 1.00 0.00 ATOM 633 CA ASP A 76 12.650 20.501 -20.229 1.00 0.00 ATOM 634 CB ASP A 76 11.441 21.303 -20.716 1.00 0.00 ATOM 635 CG ASP A 76 11.836 22.606 -21.383 1.00 0.00 ATOM 636 OD1 ASP A 76 13.040 22.936 -21.377 1.00 0.00 ATOM 637 OD2 ASP A 76 10.941 23.296 -21.913 1.00 0.00 ATOM 638 O ASP A 76 12.764 21.840 -18.252 1.00 0.00 ATOM 639 C ASP A 76 13.386 21.218 -19.112 1.00 0.00 ATOM 640 N SER A 77 14.708 21.133 -19.132 1.00 0.00 ATOM 641 CA SER A 77 15.523 21.772 -18.110 1.00 0.00 ATOM 642 CB SER A 77 16.643 20.835 -17.652 1.00 0.00 ATOM 643 OG SER A 77 17.471 21.464 -16.688 1.00 0.00 ATOM 644 O SER A 77 17.090 22.969 -19.482 1.00 0.00 ATOM 645 C SER A 77 16.108 23.029 -18.739 1.00 0.00 ATOM 646 N THR A 78 15.470 24.160 -18.464 1.00 0.00 ATOM 647 CA THR A 78 15.900 25.447 -18.993 1.00 0.00 ATOM 648 CB THR A 78 17.215 25.903 -18.333 1.00 0.00 ATOM 649 CG2 THR A 78 17.052 25.986 -16.823 1.00 0.00 ATOM 650 OG1 THR A 78 18.255 24.965 -18.636 1.00 0.00 ATOM 651 O THR A 78 17.240 25.659 -20.980 1.00 0.00 ATOM 652 C THR A 78 16.140 25.387 -20.500 1.00 0.00 ATOM 653 N ASN A 79 15.092 25.015 -21.409 1.00 0.00 ATOM 654 CA ASN A 79 15.156 24.884 -22.861 1.00 0.00 ATOM 655 CB ASN A 79 15.850 26.100 -23.477 1.00 0.00 ATOM 656 CG ASN A 79 15.052 27.377 -23.301 1.00 0.00 ATOM 657 ND2 ASN A 79 15.742 28.511 -23.319 1.00 0.00 ATOM 658 OD1 ASN A 79 13.830 27.341 -23.152 1.00 0.00 ATOM 659 O ASN A 79 15.813 23.305 -24.533 1.00 0.00 ATOM 660 C ASN A 79 15.907 23.653 -23.356 1.00 0.00 ATOM 661 N GLU A 80 16.689 23.021 -22.488 1.00 0.00 ATOM 662 CA GLU A 80 17.401 21.814 -22.896 1.00 0.00 ATOM 663 CB GLU A 80 18.657 21.624 -22.041 1.00 0.00 ATOM 664 CG GLU A 80 19.487 20.408 -22.419 1.00 0.00 ATOM 665 CD GLU A 80 20.703 20.236 -21.532 1.00 0.00 ATOM 666 OE1 GLU A 80 20.894 21.064 -20.616 1.00 0.00 ATOM 667 OE2 GLU A 80 21.466 19.270 -21.750 1.00 0.00 ATOM 668 O GLU A 80 15.921 20.413 -21.635 1.00 0.00 ATOM 669 C GLU A 80 16.476 20.615 -22.714 1.00 0.00 ATOM 670 N VAL A 81 16.315 19.826 -23.770 1.00 0.00 ATOM 671 CA VAL A 81 15.445 18.656 -23.716 1.00 0.00 ATOM 672 CB VAL A 81 14.743 18.416 -25.066 1.00 0.00 ATOM 673 CG1 VAL A 81 13.869 17.172 -24.998 1.00 0.00 ATOM 674 CG2 VAL A 81 13.863 19.602 -25.428 1.00 0.00 ATOM 675 O VAL A 81 17.184 17.049 -24.094 1.00 0.00 ATOM 676 C VAL A 81 16.253 17.413 -23.374 1.00 0.00 ATOM 677 N ILE A 82 15.905 16.768 -22.266 1.00 0.00 ATOM 678 CA ILE A 82 16.595 15.558 -21.842 1.00 0.00 ATOM 679 CB ILE A 82 17.300 15.755 -20.488 1.00 0.00 ATOM 680 CG1 ILE A 82 18.350 16.863 -20.590 1.00 0.00 ATOM 681 CG2 ILE A 82 17.994 14.471 -20.056 1.00 0.00 ATOM 682 CD1 ILE A 82 18.930 17.279 -19.255 1.00 0.00 ATOM 683 O ILE A 82 14.588 14.600 -20.955 1.00 0.00 ATOM 684 C ILE A 82 15.557 14.457 -21.701 1.00 0.00 ATOM 685 N ARG A 83 15.796 13.336 -22.367 1.00 0.00 ATOM 686 CA ARG A 83 14.854 12.225 -22.332 1.00 0.00 ATOM 687 CB ARG A 83 14.502 11.762 -23.771 1.00 0.00 ATOM 688 CG ARG A 83 13.899 12.878 -24.616 1.00 0.00 ATOM 689 CD ARG A 83 13.276 12.376 -25.919 1.00 0.00 ATOM 690 NE ARG A 83 12.642 13.463 -26.645 1.00 0.00 ATOM 691 CZ ARG A 83 13.248 14.335 -27.448 1.00 0.00 ATOM 692 NH1 ARG A 83 14.535 14.247 -27.670 1.00 0.00 ATOM 693 NH2 ARG A 83 12.509 15.300 -28.009 1.00 0.00 ATOM 694 O ARG A 83 16.605 10.684 -21.763 1.00 0.00 ATOM 695 C ARG A 83 15.421 10.994 -21.640 1.00 0.00 ATOM 696 N GLU A 84 14.576 10.316 -20.876 1.00 0.00 ATOM 697 CA GLU A 84 14.992 9.096 -20.202 1.00 0.00 ATOM 698 CB GLU A 84 15.062 9.305 -18.688 1.00 0.00 ATOM 699 CG GLU A 84 16.108 10.316 -18.248 1.00 0.00 ATOM 700 CD GLU A 84 16.148 10.496 -16.743 1.00 0.00 ATOM 701 OE1 GLU A 84 15.348 9.838 -16.045 1.00 0.00 ATOM 702 OE2 GLU A 84 16.979 11.295 -16.262 1.00 0.00 ATOM 703 O GLU A 84 12.749 8.361 -20.587 1.00 0.00 ATOM 704 C GLU A 84 13.939 8.058 -20.557 1.00 0.00 ATOM 705 N ILE A 85 14.362 6.845 -20.879 1.00 0.00 ATOM 706 CA ILE A 85 13.377 5.845 -21.254 1.00 0.00 ATOM 707 CB ILE A 85 13.048 5.920 -22.775 1.00 0.00 ATOM 708 CG1 ILE A 85 11.801 5.087 -23.085 1.00 0.00 ATOM 709 CG2 ILE A 85 14.248 5.408 -23.575 1.00 0.00 ATOM 710 CD1 ILE A 85 11.336 5.192 -24.523 1.00 0.00 ATOM 711 O ILE A 85 14.891 4.004 -21.200 1.00 0.00 ATOM 712 C ILE A 85 13.743 4.389 -20.983 1.00 0.00 ATOM 713 N PRO A 86 12.732 3.580 -20.734 1.00 0.00 ATOM 714 CA PRO A 86 12.924 2.127 -20.666 1.00 0.00 ATOM 715 CB PRO A 86 11.977 1.727 -19.517 1.00 0.00 ATOM 716 CG PRO A 86 10.838 2.665 -19.709 1.00 0.00 ATOM 717 CD PRO A 86 11.564 3.978 -19.949 1.00 0.00 ATOM 718 O PRO A 86 11.750 1.849 -22.740 1.00 0.00 ATOM 719 C PRO A 86 12.552 1.374 -21.929 1.00 0.00 ATOM 720 N PRO A 87 13.091 0.157 -22.089 1.00 0.00 ATOM 721 CA PRO A 87 12.826 -0.678 -23.260 1.00 0.00 ATOM 722 CB PRO A 87 14.110 -1.487 -23.443 1.00 0.00 ATOM 723 CG PRO A 87 14.664 -1.627 -22.064 1.00 0.00 ATOM 724 CD PRO A 87 14.252 -0.387 -21.322 1.00 0.00 ATOM 725 O PRO A 87 11.372 -2.130 -22.018 1.00 0.00 ATOM 726 C PRO A 87 11.583 -1.541 -23.080 1.00 0.00 ATOM 727 N LYS A 88 10.782 -1.655 -24.142 1.00 0.00 ATOM 728 CA LYS A 88 9.562 -2.444 -24.086 1.00 0.00 ATOM 729 CB LYS A 88 8.302 -1.637 -23.729 1.00 0.00 ATOM 730 CG LYS A 88 8.221 -0.897 -22.392 1.00 0.00 ATOM 731 CD LYS A 88 6.901 -0.143 -22.291 1.00 0.00 ATOM 732 CE LYS A 88 6.571 0.557 -21.000 1.00 0.00 ATOM 733 NZ LYS A 88 7.556 1.645 -20.735 1.00 0.00 ATOM 734 O LYS A 88 9.953 -2.850 -26.408 1.00 0.00 ATOM 735 C LYS A 88 9.438 -3.252 -25.367 1.00 0.00 ATOM 736 N ARG A 89 8.752 -4.370 -25.271 1.00 0.00 ATOM 737 CA ARG A 89 8.569 -5.230 -26.433 1.00 0.00 ATOM 738 CB ARG A 89 8.937 -6.670 -26.069 1.00 0.00 ATOM 739 CG ARG A 89 8.750 -7.664 -27.204 1.00 0.00 ATOM 740 CD ARG A 89 9.180 -9.063 -26.790 1.00 0.00 ATOM 741 NE ARG A 89 8.951 -10.041 -27.850 1.00 0.00 ATOM 742 CZ ARG A 89 9.313 -11.318 -27.777 1.00 0.00 ATOM 743 NH1 ARG A 89 9.064 -12.136 -28.792 1.00 0.00 ATOM 744 NH2 ARG A 89 9.921 -11.774 -26.691 1.00 0.00 ATOM 745 O ARG A 89 6.266 -4.954 -25.853 1.00 0.00 ATOM 746 C ARG A 89 7.095 -5.062 -26.758 1.00 0.00 ATOM 747 N TRP A 90 6.783 -4.936 -28.042 1.00 0.00 ATOM 748 CA TRP A 90 5.404 -4.785 -28.469 1.00 0.00 ATOM 749 CB TRP A 90 5.272 -3.665 -29.503 1.00 0.00 ATOM 750 CG TRP A 90 3.958 -3.648 -30.220 1.00 0.00 ATOM 751 CD1 TRP A 90 2.832 -4.326 -29.903 1.00 0.00 ATOM 752 CD2 TRP A 90 3.645 -2.897 -31.407 1.00 0.00 ATOM 753 CE2 TRP A 90 2.323 -3.188 -31.761 1.00 0.00 ATOM 754 CE3 TRP A 90 4.362 -2.000 -32.210 1.00 0.00 ATOM 755 NE1 TRP A 90 1.842 -4.067 -30.813 1.00 0.00 ATOM 756 CZ2 TRP A 90 1.696 -2.607 -32.873 1.00 0.00 ATOM 757 CZ3 TRP A 90 3.744 -1.435 -33.324 1.00 0.00 ATOM 758 CH2 TRP A 90 2.435 -1.730 -33.644 1.00 0.00 ATOM 759 O TRP A 90 5.727 -6.436 -30.164 1.00 0.00 ATOM 760 C TRP A 90 5.038 -6.056 -29.222 1.00 0.00 ATOM 761 N LEU A 91 3.892 -6.666 -28.604 1.00 0.00 ATOM 762 CA LEU A 91 3.472 -7.935 -29.189 1.00 0.00 ATOM 763 CB LEU A 91 2.786 -8.807 -28.137 1.00 0.00 ATOM 764 CG LEU A 91 3.616 -9.161 -26.901 1.00 0.00 ATOM 765 CD1 LEU A 91 2.805 -10.008 -25.933 1.00 0.00 ATOM 766 CD2 LEU A 91 4.858 -9.945 -27.294 1.00 0.00 ATOM 767 O LEU A 91 2.157 -6.547 -30.637 1.00 0.00 ATOM 768 C LEU A 91 2.498 -7.692 -30.336 1.00 0.00 ATOM 769 N ASP A 92 2.052 -8.766 -31.008 1.00 0.00 ATOM 770 CA ASP A 92 1.134 -8.642 -32.135 1.00 0.00 ATOM 771 CB ASP A 92 0.857 -10.013 -32.755 1.00 0.00 ATOM 772 CG ASP A 92 0.256 -10.990 -31.763 1.00 0.00 ATOM 773 OD1 ASP A 92 0.907 -11.270 -30.735 1.00 0.00 ATOM 774 OD2 ASP A 92 -0.867 -11.476 -32.014 1.00 0.00 ATOM 775 O ASP A 92 -1.006 -7.673 -32.611 1.00 0.00 ATOM 776 C ASP A 92 -0.220 -8.059 -31.745 1.00 0.00 ATOM 777 N PHE A 93 -0.489 -7.993 -30.446 1.00 0.00 ATOM 778 CA PHE A 93 -1.754 -7.457 -29.955 1.00 0.00 ATOM 779 CB PHE A 93 -2.179 -8.168 -28.668 1.00 0.00 ATOM 780 CG PHE A 93 -2.538 -9.613 -28.865 1.00 0.00 ATOM 781 CD1 PHE A 93 -1.637 -10.615 -28.549 1.00 0.00 ATOM 782 CD2 PHE A 93 -3.777 -9.971 -29.367 1.00 0.00 ATOM 783 CE1 PHE A 93 -1.967 -11.945 -28.729 1.00 0.00 ATOM 784 CE2 PHE A 93 -4.107 -11.301 -29.548 1.00 0.00 ATOM 785 CZ PHE A 93 -3.209 -12.286 -29.231 1.00 0.00 ATOM 786 O PHE A 93 -2.604 -5.360 -29.146 1.00 0.00 ATOM 787 C PHE A 93 -1.655 -5.963 -29.647 1.00 0.00 ATOM 788 N TYR A 94 -0.558 -5.150 -29.946 1.00 0.00 ATOM 789 CA TYR A 94 -0.325 -3.752 -29.630 1.00 0.00 ATOM 790 CB TYR A 94 -1.554 -2.911 -29.982 1.00 0.00 ATOM 791 CG TYR A 94 -1.951 -2.986 -31.439 1.00 0.00 ATOM 792 CD1 TYR A 94 -3.056 -3.727 -31.837 1.00 0.00 ATOM 793 CD2 TYR A 94 -1.220 -2.314 -32.411 1.00 0.00 ATOM 794 CE1 TYR A 94 -3.427 -3.802 -33.167 1.00 0.00 ATOM 795 CE2 TYR A 94 -1.575 -2.379 -33.745 1.00 0.00 ATOM 796 CZ TYR A 94 -2.690 -3.129 -34.118 1.00 0.00 ATOM 797 OH TYR A 94 -3.056 -3.201 -35.442 1.00 0.00 ATOM 798 O TYR A 94 0.104 -2.343 -27.748 1.00 0.00 ATOM 799 C TYR A 94 -0.027 -3.493 -28.166 1.00 0.00 ATOM 800 N ALA A 95 0.145 -4.724 -27.473 1.00 0.00 ATOM 801 CA ALA A 95 0.408 -4.573 -26.047 1.00 0.00 ATOM 802 CB ALA A 95 -0.035 -5.817 -25.310 1.00 0.00 ATOM 803 O ALA A 95 2.734 -4.779 -26.616 1.00 0.00 ATOM 804 C ALA A 95 1.899 -4.399 -25.792 1.00 0.00 ATOM 805 N ALA A 96 2.232 -3.861 -24.625 1.00 0.00 ATOM 806 CA ALA A 96 3.620 -3.632 -24.266 1.00 0.00 ATOM 807 CB ALA A 96 3.871 -2.150 -24.035 1.00 0.00 ATOM 808 O ALA A 96 3.241 -4.490 -22.059 1.00 0.00 ATOM 809 C ALA A 96 4.026 -4.364 -23.001 1.00 0.00 ATOM 810 N MET A 97 5.273 -4.828 -22.990 1.00 0.00 ATOM 811 CA MET A 97 5.840 -5.524 -21.847 1.00 0.00 ATOM 812 CB MET A 97 5.908 -7.028 -22.114 1.00 0.00 ATOM 813 CG MET A 97 6.892 -7.422 -23.204 1.00 0.00 ATOM 814 SD MET A 97 7.014 -9.208 -23.421 1.00 0.00 ATOM 815 CE MET A 97 5.415 -9.572 -24.143 1.00 0.00 ATOM 816 O MET A 97 8.041 -4.892 -22.554 1.00 0.00 ATOM 817 C MET A 97 7.253 -5.004 -21.611 1.00 0.00 ATOM 818 N THR A 98 7.571 -4.668 -20.363 1.00 0.00 ATOM 819 CA THR A 98 8.898 -4.162 -20.035 1.00 0.00 ATOM 820 CB THR A 98 9.197 -3.300 -19.069 1.00 0.00 ATOM 821 CG2 THR A 98 10.612 -3.507 -18.541 1.00 0.00 ATOM 822 OG1 THR A 98 9.128 -2.041 -19.743 1.00 0.00 ATOM 823 O THR A 98 9.806 -6.373 -19.788 1.00 0.00 ATOM 824 C THR A 98 9.913 -5.265 -20.316 1.00 0.00 ATOM 825 N GLU A 99 10.895 -4.927 -21.305 1.00 0.00 ATOM 826 CA GLU A 99 11.911 -5.896 -21.694 1.00 0.00 ATOM 827 CB GLU A 99 12.543 -5.503 -23.030 1.00 0.00 ATOM 828 CG GLU A 99 11.580 -5.538 -24.206 1.00 0.00 ATOM 829 CD GLU A 99 12.226 -5.092 -25.503 1.00 0.00 ATOM 830 OE1 GLU A 99 13.434 -4.775 -25.485 1.00 0.00 ATOM 831 OE2 GLU A 99 11.526 -5.060 -26.537 1.00 0.00 ATOM 832 O GLU A 99 13.541 -7.150 -20.472 1.00 0.00 ATOM 833 C GLU A 99 13.042 -6.047 -20.689 1.00 0.00 ATOM 834 N PHE A 100 13.447 -4.946 -20.071 1.00 0.00 ATOM 835 CA PHE A 100 14.555 -4.988 -19.130 1.00 0.00 ATOM 836 CB PHE A 100 15.880 -4.912 -19.889 1.00 0.00 ATOM 837 CG PHE A 100 17.092 -4.964 -19.002 1.00 0.00 ATOM 838 CD1 PHE A 100 17.564 -6.172 -18.520 1.00 0.00 ATOM 839 CD2 PHE A 100 17.760 -3.803 -18.650 1.00 0.00 ATOM 840 CE1 PHE A 100 18.678 -6.220 -17.704 1.00 0.00 ATOM 841 CE2 PHE A 100 18.874 -3.851 -17.834 1.00 0.00 ATOM 842 CZ PHE A 100 19.333 -5.051 -17.361 1.00 0.00 ATOM 843 O PHE A 100 14.064 -2.725 -18.524 1.00 0.00 ATOM 844 C PHE A 100 14.496 -3.816 -18.157 1.00 0.00 ATOM 845 N LEU A 101 14.626 -4.108 -16.926 1.00 0.00 ATOM 846 CA LEU A 101 14.653 -3.033 -15.938 1.00 0.00 ATOM 847 CB LEU A 101 14.680 -3.605 -14.555 1.00 0.00 ATOM 848 CG LEU A 101 13.351 -4.263 -14.173 1.00 0.00 ATOM 849 CD1 LEU A 101 13.509 -5.043 -12.877 1.00 0.00 ATOM 850 CD2 LEU A 101 12.239 -3.218 -14.046 1.00 0.00 ATOM 851 O LEU A 101 16.877 -2.261 -15.446 1.00 0.00 ATOM 852 C LEU A 101 15.894 -2.183 -16.182 1.00 0.00 ATOM 853 N GLY A 102 15.868 -1.434 -17.365 1.00 0.00 ATOM 854 CA GLY A 102 16.981 -0.555 -17.694 1.00 0.00 ATOM 855 O GLY A 102 15.669 0.623 -19.315 1.00 0.00 ATOM 856 C GLY A 102 16.507 0.695 -18.416 1.00 0.00 ATOM 857 N LEU A 103 17.075 1.837 -17.974 1.00 0.00 ATOM 858 CA LEU A 103 16.708 3.087 -18.619 1.00 0.00 ATOM 859 CB LEU A 103 16.546 4.156 -17.553 1.00 0.00 ATOM 860 CG LEU A 103 15.782 5.413 -17.965 1.00 0.00 ATOM 861 CD1 LEU A 103 14.349 5.036 -18.310 1.00 0.00 ATOM 862 CD2 LEU A 103 15.798 6.421 -16.828 1.00 0.00 ATOM 863 O LEU A 103 19.037 3.542 -18.931 1.00 0.00 ATOM 864 C LEU A 103 17.893 3.667 -19.368 1.00 0.00 ATOM 865 N PHE A 104 17.606 4.299 -20.502 1.00 0.00 ATOM 866 CA PHE A 104 18.617 4.939 -21.328 1.00 0.00 ATOM 867 CB PHE A 104 18.554 4.397 -22.756 1.00 0.00 ATOM 868 CG PHE A 104 18.876 2.934 -22.864 1.00 0.00 ATOM 869 CD1 PHE A 104 17.872 1.983 -22.809 1.00 0.00 ATOM 870 CD2 PHE A 104 20.184 2.508 -23.021 1.00 0.00 ATOM 871 CE1 PHE A 104 18.169 0.636 -22.907 1.00 0.00 ATOM 872 CE2 PHE A 104 20.480 1.162 -23.119 1.00 0.00 ATOM 873 CZ PHE A 104 19.479 0.228 -23.063 1.00 0.00 ATOM 874 O PHE A 104 17.144 6.825 -21.386 1.00 0.00 ATOM 875 C PHE A 104 18.308 6.433 -21.316 1.00 0.00 ATOM 876 N VAL A 105 19.338 7.263 -21.202 1.00 0.00 ATOM 877 CA VAL A 105 19.139 8.707 -21.190 1.00 0.00 ATOM 878 CB VAL A 105 19.839 9.355 -19.982 1.00 0.00 ATOM 879 CG1 VAL A 105 19.647 10.865 -20.001 1.00 0.00 ATOM 880 CG2 VAL A 105 19.267 8.815 -18.681 1.00 0.00 ATOM 881 O VAL A 105 20.837 8.995 -22.861 1.00 0.00 ATOM 882 C VAL A 105 19.703 9.283 -22.484 1.00 0.00 ATOM 883 N ASP A 106 18.876 10.062 -23.175 1.00 0.00 ATOM 884 CA ASP A 106 19.281 10.682 -24.433 1.00 0.00 ATOM 885 CB ASP A 106 18.264 10.416 -25.544 1.00 0.00 ATOM 886 CG ASP A 106 18.671 11.034 -26.867 1.00 0.00 ATOM 887 OD1 ASP A 106 19.712 11.723 -26.907 1.00 0.00 ATOM 888 OD2 ASP A 106 17.948 10.832 -27.865 1.00 0.00 ATOM 889 O ASP A 106 18.433 12.879 -23.948 1.00 0.00 ATOM 890 C ASP A 106 19.399 12.179 -24.223 1.00 0.00 ATOM 891 N GLU A 107 20.558 12.682 -24.331 1.00 0.00 ATOM 892 CA GLU A 107 20.914 14.054 -23.964 1.00 0.00 ATOM 893 CB GLU A 107 21.424 14.084 -22.525 1.00 0.00 ATOM 894 CG GLU A 107 21.760 15.480 -22.027 1.00 0.00 ATOM 895 CD GLU A 107 22.300 15.485 -20.610 1.00 0.00 ATOM 896 OE1 GLU A 107 22.278 16.558 -19.976 1.00 0.00 ATOM 897 OE2 GLU A 107 22.757 14.424 -20.138 1.00 0.00 ATOM 898 O GLU A 107 22.897 13.867 -25.294 1.00 0.00 ATOM 899 C GLU A 107 21.917 14.549 -24.999 1.00 0.00 ATOM 900 N LYS A 108 21.694 15.761 -25.497 1.00 0.00 ATOM 901 CA LYS A 108 22.565 16.356 -26.502 1.00 0.00 ATOM 902 CB LYS A 108 23.962 16.604 -25.929 1.00 0.00 ATOM 903 CG LYS A 108 23.983 17.526 -24.722 1.00 0.00 ATOM 904 CD LYS A 108 25.406 17.809 -24.267 1.00 0.00 ATOM 905 CE LYS A 108 25.425 18.643 -22.997 1.00 0.00 ATOM 906 NZ LYS A 108 26.811 18.884 -22.511 1.00 0.00 ATOM 907 O LYS A 108 23.925 14.727 -27.622 1.00 0.00 ATOM 908 C LYS A 108 22.808 15.238 -27.518 1.00 0.00 ATOM 909 N LYS A 109 21.635 14.811 -28.133 1.00 0.00 ATOM 910 CA LYS A 109 21.747 13.773 -29.149 1.00 0.00 ATOM 911 CB LYS A 109 21.642 14.753 -30.433 1.00 0.00 ATOM 912 CG LYS A 109 20.304 15.388 -30.636 1.00 0.00 ATOM 913 CD LYS A 109 20.383 16.383 -31.739 1.00 0.00 ATOM 914 CE LYS A 109 19.021 16.923 -32.088 1.00 0.00 ATOM 915 NZ LYS A 109 19.118 17.843 -33.261 1.00 0.00 ATOM 916 O LYS A 109 22.631 11.700 -29.940 1.00 0.00 ATOM 917 C LYS A 109 22.476 12.453 -28.979 1.00 0.00 ATOM 918 N LEU A 110 22.928 12.158 -27.764 1.00 0.00 ATOM 919 CA LEU A 110 23.643 10.914 -27.510 1.00 0.00 ATOM 920 CB LEU A 110 25.108 11.199 -27.174 1.00 0.00 ATOM 921 CG LEU A 110 25.932 11.883 -28.266 1.00 0.00 ATOM 922 CD1 LEU A 110 27.309 12.264 -27.742 1.00 0.00 ATOM 923 CD2 LEU A 110 26.117 10.958 -29.460 1.00 0.00 ATOM 924 O LEU A 110 22.434 10.796 -25.448 1.00 0.00 ATOM 925 C LEU A 110 23.010 10.177 -26.339 1.00 0.00 ATOM 926 N GLU A 111 23.240 8.787 -26.344 1.00 0.00 ATOM 927 CA GLU A 111 22.648 7.972 -25.292 1.00 0.00 ATOM 928 CB GLU A 111 21.825 6.820 -25.872 1.00 0.00 ATOM 929 CG GLU A 111 20.610 7.265 -26.671 1.00 0.00 ATOM 930 CD GLU A 111 19.774 6.098 -27.159 1.00 0.00 ATOM 931 OE1 GLU A 111 20.172 4.939 -26.917 1.00 0.00 ATOM 932 OE2 GLU A 111 18.721 6.344 -27.784 1.00 0.00 ATOM 933 O GLU A 111 24.682 6.810 -24.723 1.00 0.00 ATOM 934 C GLU A 111 23.597 7.266 -24.340 1.00 0.00 ATOM 935 N HIS A 112 23.165 7.195 -23.087 1.00 0.00 ATOM 936 CA HIS A 112 23.911 6.544 -22.022 1.00 0.00 ATOM 937 CB HIS A 112 24.454 7.615 -21.074 1.00 0.00 ATOM 938 CG HIS A 112 25.352 8.612 -21.739 1.00 0.00 ATOM 939 CD2 HIS A 112 25.185 9.939 -22.313 1.00 0.00 ATOM 940 ND1 HIS A 112 26.696 8.384 -21.942 1.00 0.00 ATOM 941 CE1 HIS A 112 27.233 9.452 -22.556 1.00 0.00 ATOM 942 NE2 HIS A 112 26.333 10.389 -22.783 1.00 0.00 ATOM 943 O HIS A 112 21.841 6.024 -20.949 1.00 0.00 ATOM 944 C HIS A 112 22.955 5.624 -21.279 1.00 0.00 ATOM 945 N HIS A 113 23.379 4.393 -21.020 1.00 0.00 ATOM 946 CA HIS A 113 22.515 3.460 -20.312 1.00 0.00 ATOM 947 CB HIS A 113 22.580 2.104 -20.996 1.00 0.00 ATOM 948 CG HIS A 113 23.976 1.594 -21.198 1.00 0.00 ATOM 949 CD2 HIS A 113 24.848 1.023 -20.334 1.00 0.00 ATOM 950 ND1 HIS A 113 24.644 1.705 -22.399 1.00 0.00 ATOM 951 CE1 HIS A 113 25.868 1.225 -22.266 1.00 0.00 ATOM 952 NE2 HIS A 113 26.017 0.804 -21.023 1.00 0.00 ATOM 953 O HIS A 113 24.146 3.554 -18.553 1.00 0.00 ATOM 954 C HIS A 113 23.135 3.012 -18.998 1.00 0.00 ATOM 955 N HIS A 114 22.325 2.096 -18.110 1.00 0.00 ATOM 956 CA HIS A 114 22.815 1.635 -16.824 1.00 0.00 ATOM 957 CB HIS A 114 24.223 2.049 -16.550 1.00 0.00 ATOM 958 CG HIS A 114 24.450 3.447 -16.094 1.00 0.00 ATOM 959 CD2 HIS A 114 24.812 3.932 -14.869 1.00 0.00 ATOM 960 ND1 HIS A 114 24.330 4.551 -16.894 1.00 0.00 ATOM 961 CE1 HIS A 114 24.586 5.633 -16.199 1.00 0.00 ATOM 962 NE2 HIS A 114 24.898 5.305 -14.951 1.00 0.00 ATOM 963 O HIS A 114 22.078 1.585 -14.549 1.00 0.00 ATOM 964 C HIS A 114 21.912 2.049 -15.678 1.00 0.00 ATOM 965 N HIS A 115 20.945 2.899 -15.980 1.00 0.00 ATOM 966 CA HIS A 115 20.012 3.365 -14.958 1.00 0.00 ATOM 967 CB HIS A 115 19.197 4.550 -15.479 1.00 0.00 ATOM 968 CG HIS A 115 18.405 5.251 -14.419 1.00 0.00 ATOM 969 CD2 HIS A 115 18.537 6.495 -13.675 1.00 0.00 ATOM 970 ND1 HIS A 115 17.235 4.737 -13.903 1.00 0.00 ATOM 971 CE1 HIS A 115 16.755 5.585 -12.975 1.00 0.00 ATOM 972 NE2 HIS A 115 17.532 6.641 -12.833 1.00 0.00 ATOM 973 O HIS A 115 18.502 1.590 -15.503 1.00 0.00 ATOM 974 C HIS A 115 19.088 2.206 -14.614 1.00 0.00 ATOM 975 N HIS A 116 18.942 1.905 -13.335 1.00 0.00 ATOM 976 CA HIS A 116 18.118 0.766 -12.902 1.00 0.00 ATOM 977 CB HIS A 116 18.059 0.697 -11.375 1.00 0.00 ATOM 978 CG HIS A 116 17.190 -0.405 -10.853 1.00 0.00 ATOM 979 CD2 HIS A 116 15.876 -0.485 -10.233 1.00 0.00 ATOM 980 ND1 HIS A 116 17.568 -1.730 -10.888 1.00 0.00 ATOM 981 CE1 HIS A 116 16.586 -2.477 -10.351 1.00 0.00 ATOM 982 NE2 HIS A 116 15.568 -1.737 -9.957 1.00 0.00 ATOM 983 O HIS A 116 16.285 -0.047 -14.092 1.00 0.00 ATOM 984 C HIS A 116 16.693 0.898 -13.442 1.00 0.00 ATOM 985 N HIS A 117 16.072 2.062 -13.245 1.00 0.00 ATOM 986 CA HIS A 117 14.747 2.305 -13.782 1.00 0.00 ATOM 987 CB HIS A 117 14.124 3.540 -13.130 1.00 0.00 ATOM 988 CG HIS A 117 13.943 3.415 -11.648 1.00 0.00 ATOM 989 CD2 HIS A 117 14.517 4.057 -10.475 1.00 0.00 ATOM 990 ND1 HIS A 117 13.059 2.524 -11.079 1.00 0.00 ATOM 991 CE1 HIS A 117 13.118 2.642 -9.741 1.00 0.00 ATOM 992 NE2 HIS A 117 13.992 3.560 -9.371 1.00 0.00 ATOM 993 O HIS A 117 14.122 2.772 -16.046 1.00 0.00 ATOM 994 C HIS A 117 15.060 2.500 -15.280 1.00 0.00 ENDMDL EXPDTA 2hc5A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hc5A ATOM 1 C ASN 2 5.383 3.222 -3.105 1.00 0.00 ATOM 2 N ILE A 3 5.303 5.460 -2.478 1.00 0.00 ATOM 3 CA ILE A 3 6.092 5.264 -3.689 1.00 0.00 ATOM 4 CB ILE A 3 5.378 5.869 -4.925 1.00 0.00 ATOM 5 CG1 ILE A 3 6.074 5.437 -6.220 1.00 0.00 ATOM 6 CG2 ILE A 3 5.326 7.389 -4.827 1.00 0.00 ATOM 7 CD1 ILE A 3 5.355 5.877 -7.475 1.00 0.00 ATOM 8 O ILE A 3 8.395 5.595 -4.300 1.00 0.00 ATOM 9 C ILE A 3 7.480 5.883 -3.531 1.00 0.00 ATOM 10 N GLU A 4 7.645 6.694 -2.493 1.00 0.00 ATOM 11 CA GLU A 4 8.893 7.421 -2.270 1.00 0.00 ATOM 12 CB GLU A 4 8.699 8.462 -1.169 1.00 0.00 ATOM 13 CG GLU A 4 7.475 9.338 -1.368 1.00 0.00 ATOM 14 CD GLU A 4 7.185 10.210 -0.168 1.00 0.00 ATOM 15 OE1 GLU A 4 7.014 9.660 0.941 1.00 0.00 ATOM 16 OE2 GLU A 4 7.106 11.443 -0.326 1.00 0.00 ATOM 17 O GLU A 4 11.183 6.874 -1.778 1.00 0.00 ATOM 18 C GLU A 4 10.026 6.470 -1.880 1.00 0.00 ATOM 19 N ARG A 5 9.685 5.207 -1.651 1.00 0.00 ATOM 20 CA ARG A 5 10.669 4.204 -1.275 1.00 0.00 ATOM 21 CB ARG A 5 10.407 3.699 0.149 1.00 0.00 ATOM 22 CG ARG A 5 10.570 4.780 1.208 1.00 0.00 ATOM 23 CD ARG A 5 10.313 4.252 2.612 1.00 0.00 ATOM 24 NE ARG A 5 8.946 3.760 2.778 1.00 0.00 ATOM 25 CZ ARG A 5 8.021 4.367 3.525 1.00 0.00 ATOM 26 NH1 ARG A 5 8.296 5.517 4.131 1.00 0.00 ATOM 27 NH2 ARG A 5 6.814 3.831 3.659 1.00 0.00 ATOM 28 O ARG A 5 11.248 2.001 -2.041 1.00 0.00 ATOM 29 C ARG A 5 10.646 3.048 -2.269 1.00 0.00 ATOM 30 N LEU A 6 9.957 3.257 -3.382 1.00 0.00 ATOM 31 CA LEU A 6 9.862 2.249 -4.428 1.00 0.00 ATOM 32 CB LEU A 6 8.583 2.457 -5.241 1.00 0.00 ATOM 33 CG LEU A 6 8.374 1.476 -6.394 1.00 0.00 ATOM 34 CD1 LEU A 6 8.222 0.055 -5.869 1.00 0.00 ATOM 35 CD2 LEU A 6 7.161 1.879 -7.217 1.00 0.00 ATOM 36 O LEU A 6 11.424 3.390 -5.845 1.00 0.00 ATOM 37 C LEU A 6 11.084 2.320 -5.338 1.00 0.00 ATOM 38 N THR A 7 11.755 1.187 -5.529 1.00 0.00 ATOM 39 CA THR A 7 12.979 1.151 -6.324 1.00 0.00 ATOM 40 CB THR A 7 14.193 0.749 -5.462 1.00 0.00 ATOM 41 CG2 THR A 7 14.350 1.664 -4.260 1.00 0.00 ATOM 42 OG1 THR A 7 14.049 -0.604 -5.004 1.00 0.00 ATOM 43 O THR A 7 13.634 0.276 -8.466 1.00 0.00 ATOM 44 C THR A 7 12.889 0.162 -7.494 1.00 0.00 ATOM 45 N THR A 8 11.982 -0.811 -7.401 1.00 0.00 ATOM 46 CA THR A 8 11.980 -1.934 -8.335 1.00 0.00 ATOM 47 CB THR A 8 12.129 -3.275 -7.575 1.00 0.00 ATOM 48 CG2 THR A 8 10.872 -3.593 -6.778 1.00 0.00 ATOM 49 OG1 THR A 8 12.395 -4.350 -8.486 1.00 0.00 ATOM 50 O THR A 8 9.686 -1.392 -8.840 1.00 0.00 ATOM 51 C THR A 8 10.710 -1.982 -9.188 1.00 0.00 ATOM 52 N LEU A 9 10.800 -2.692 -10.309 1.00 0.00 ATOM 53 CA LEU A 9 9.659 -2.924 -11.183 1.00 0.00 ATOM 54 CB LEU A 9 9.892 -2.322 -12.569 1.00 0.00 ATOM 55 CG LEU A 9 10.200 -0.828 -12.606 1.00 0.00 ATOM 56 CD1 LEU A 9 11.699 -0.586 -12.510 1.00 0.00 ATOM 57 CD2 LEU A 9 9.631 -0.210 -13.868 1.00 0.00 ATOM 58 O LEU A 9 8.748 -4.854 -12.274 1.00 0.00 ATOM 59 C LEU A 9 9.411 -4.419 -11.333 1.00 0.00 ATOM 60 N GLN A 10 9.945 -5.201 -10.399 1.00 0.00 ATOM 61 CA GLN A 10 9.819 -6.660 -10.444 1.00 0.00 ATOM 62 CB GLN A 10 10.412 -7.298 -9.180 1.00 0.00 ATOM 63 CG GLN A 10 10.306 -8.816 -9.154 1.00 0.00 ATOM 64 CD GLN A 10 11.141 -9.490 -10.229 1.00 0.00 ATOM 65 OE1 GLN A 10 12.304 -9.830 -10.005 1.00 0.00 ATOM 66 NE2 GLN A 10 10.553 -9.696 -11.397 1.00 0.00 ATOM 67 O GLN A 10 8.103 -7.933 -11.535 1.00 0.00 ATOM 68 C GLN A 10 8.362 -7.120 -10.647 1.00 0.00 ATOM 69 N PRO A 11 7.384 -6.622 -9.848 1.00 0.00 ATOM 70 CA PRO A 11 5.968 -6.991 -10.022 1.00 0.00 ATOM 71 CB PRO A 11 5.246 -6.213 -8.916 1.00 0.00 ATOM 72 CG PRO A 11 6.304 -5.902 -7.915 1.00 0.00 ATOM 73 CD PRO A 11 7.559 -5.700 -8.708 1.00 0.00 ATOM 74 O PRO A 11 4.489 -7.221 -11.908 1.00 0.00 ATOM 75 C PRO A 11 5.423 -6.597 -11.397 1.00 0.00 ATOM 76 N VAL A 12 6.017 -5.573 -12.001 1.00 0.00 ATOM 77 CA VAL A 12 5.602 -5.118 -13.321 1.00 0.00 ATOM 78 CB VAL A 12 6.154 -3.716 -13.650 1.00 0.00 ATOM 79 CG1 VAL A 12 5.665 -3.241 -15.012 1.00 0.00 ATOM 80 CG2 VAL A 12 5.776 -2.724 -12.566 1.00 0.00 ATOM 81 O VAL A 12 5.316 -6.530 -15.229 1.00 0.00 ATOM 82 C VAL A 12 6.085 -6.099 -14.378 1.00 0.00 ATOM 83 N TRP A 13 7.364 -6.456 -14.300 1.00 0.00 ATOM 84 CA TRP A 13 7.944 -7.431 -15.214 1.00 0.00 ATOM 85 CB TRP A 13 9.449 -7.571 -14.980 1.00 0.00 ATOM 86 CG TRP A 13 10.219 -6.306 -15.208 1.00 0.00 ATOM 87 CD1 TRP A 13 11.254 -5.841 -14.453 1.00 0.00 ATOM 88 CD2 TRP A 13 10.012 -5.339 -16.248 1.00 0.00 ATOM 89 CE2 TRP A 13 10.964 -4.319 -16.060 1.00 0.00 ATOM 90 CE3 TRP A 13 9.114 -5.234 -17.316 1.00 0.00 ATOM 91 NE1 TRP A 13 11.712 -4.651 -14.961 1.00 0.00 ATOM 92 CZ2 TRP A 13 11.049 -3.216 -16.907 1.00 0.00 ATOM 93 CZ3 TRP A 13 9.200 -4.138 -18.152 1.00 0.00 ATOM 94 CH2 TRP A 13 10.158 -3.141 -17.942 1.00 0.00 ATOM 95 O TRP A 13 7.034 -9.499 -16.021 1.00 0.00 ATOM 96 C TRP A 13 7.261 -8.781 -15.046 1.00 0.00 ATOM 97 N ASP A 14 6.938 -9.108 -13.799 1.00 0.00 ATOM 98 CA ASP A 14 6.167 -10.305 -13.480 1.00 0.00 ATOM 99 CB ASP A 14 5.812 -10.306 -11.988 1.00 0.00 ATOM 100 CG ASP A 14 4.890 -11.441 -11.587 1.00 0.00 ATOM 101 OD1 ASP A 14 3.659 -11.294 -11.741 1.00 0.00 ATOM 102 OD2 ASP A 14 5.388 -12.474 -11.093 1.00 0.00 ATOM 103 O ASP A 14 4.646 -11.325 -15.038 1.00 0.00 ATOM 104 C ASP A 14 4.897 -10.356 -14.324 1.00 0.00 ATOM 105 N ARG A 15 4.117 -9.287 -14.261 1.00 0.00 ATOM 106 CA ARG A 15 2.875 -9.195 -15.017 1.00 0.00 ATOM 107 CB ARG A 15 2.066 -7.982 -14.552 1.00 0.00 ATOM 108 CG ARG A 15 0.867 -7.683 -15.435 1.00 0.00 ATOM 109 CD ARG A 15 0.101 -6.465 -14.956 1.00 0.00 ATOM 110 NE ARG A 15 -0.833 -5.985 -15.971 1.00 0.00 ATOM 111 CZ ARG A 15 -1.797 -5.100 -15.738 1.00 0.00 ATOM 112 NH1 ARG A 15 -1.979 -4.622 -14.516 1.00 0.00 ATOM 113 NH2 ARG A 15 -2.576 -4.676 -16.727 1.00 0.00 ATOM 114 O ARG A 15 2.567 -9.840 -17.308 1.00 0.00 ATOM 115 C ARG A 15 3.142 -9.095 -16.520 1.00 0.00 ATOM 116 N TYR A 16 4.031 -8.182 -16.896 1.00 0.00 ATOM 117 CA TYR A 16 4.295 -7.879 -18.300 1.00 0.00 ATOM 118 CB TYR A 16 5.369 -6.792 -18.409 1.00 0.00 ATOM 119 CG TYR A 16 5.594 -6.284 -19.817 1.00 0.00 ATOM 120 CD1 TYR A 16 6.758 -6.592 -20.509 1.00 0.00 ATOM 121 CD2 TYR A 16 4.642 -5.495 -20.451 1.00 0.00 ATOM 122 CE1 TYR A 16 6.967 -6.128 -21.795 1.00 0.00 ATOM 123 CE2 TYR A 16 4.843 -5.029 -21.736 1.00 0.00 ATOM 124 CZ TYR A 16 6.007 -5.348 -22.403 1.00 0.00 ATOM 125 OH TYR A 16 6.211 -4.889 -23.684 1.00 0.00 ATOM 126 O TYR A 16 4.210 -9.395 -20.159 1.00 0.00 ATOM 127 C TYR A 16 4.723 -9.122 -19.074 1.00 0.00 ATOM 128 N ASP A 17 5.651 -9.886 -18.516 1.00 0.00 ATOM 129 CA ASP A 17 6.129 -11.082 -19.196 1.00 0.00 ATOM 130 CB ASP A 17 7.491 -11.533 -18.663 1.00 0.00 ATOM 131 CG ASP A 17 8.635 -10.718 -19.243 1.00 0.00 ATOM 132 OD1 ASP A 17 9.326 -10.021 -18.471 1.00 0.00 ATOM 133 OD2 ASP A 17 8.839 -10.761 -20.481 1.00 0.00 ATOM 134 O ASP A 17 5.118 -13.119 -19.931 1.00 0.00 ATOM 135 C ASP A 17 5.107 -12.210 -19.113 1.00 0.00 ATOM 136 N THR A 18 4.211 -12.154 -18.143 1.00 0.00 ATOM 137 CA THR A 18 3.104 -13.101 -18.110 1.00 0.00 ATOM 138 CB THR A 18 2.362 -13.079 -16.754 1.00 0.00 ATOM 139 CG2 THR A 18 1.206 -14.070 -16.743 1.00 0.00 ATOM 140 OG1 THR A 18 3.266 -13.395 -15.688 1.00 0.00 ATOM 141 O THR A 18 1.614 -13.666 -19.916 1.00 0.00 ATOM 142 C THR A 18 2.123 -12.775 -19.238 1.00 0.00 ATOM 143 N GLN A 19 1.901 -11.486 -19.451 1.00 0.00 ATOM 144 CA GLN A 19 0.958 -11.010 -20.456 1.00 0.00 ATOM 145 CB GLN A 19 0.669 -9.533 -20.227 1.00 0.00 ATOM 146 CG GLN A 19 -0.769 -9.241 -19.831 1.00 0.00 ATOM 147 CD GLN A 19 -1.768 -9.661 -20.890 1.00 0.00 ATOM 148 OE1 GLN A 19 -2.273 -10.788 -20.878 1.00 0.00 ATOM 149 NE2 GLN A 19 -2.062 -8.759 -21.814 1.00 0.00 ATOM 150 O GLN A 19 0.878 -11.915 -22.670 1.00 0.00 ATOM 151 C GLN A 19 1.476 -11.204 -21.870 1.00 0.00 ATOM 152 N ILE A 20 2.589 -10.559 -22.161 1.00 0.00 ATOM 153 CA ILE A 20 3.188 -10.579 -23.489 1.00 0.00 ATOM 154 CB ILE A 20 4.514 -9.801 -23.459 1.00 0.00 ATOM 155 CG1 ILE A 20 4.250 -8.313 -23.224 1.00 0.00 ATOM 156 CG2 ILE A 20 5.321 -10.008 -24.737 1.00 0.00 ATOM 157 CD1 ILE A 20 3.347 -7.676 -24.262 1.00 0.00 ATOM 158 O ILE A 20 3.319 -12.285 -25.179 1.00 0.00 ATOM 159 C ILE A 20 3.434 -12.004 -23.987 1.00 0.00 ATOM 160 N HIS A 21 3.758 -12.900 -23.067 1.00 0.00 ATOM 161 CA HIS A 21 4.104 -14.267 -23.434 1.00 0.00 ATOM 162 CB HIS A 21 5.143 -14.838 -22.464 1.00 0.00 ATOM 163 CG HIS A 21 6.437 -14.074 -22.441 1.00 0.00 ATOM 164 CD2 HIS A 21 6.677 -12.744 -22.334 1.00 0.00 ATOM 165 ND1 HIS A 21 7.670 -14.678 -22.484 1.00 0.00 ATOM 166 CE1 HIS A 21 8.613 -13.757 -22.404 1.00 0.00 ATOM 167 NE2 HIS A 21 8.040 -12.568 -22.309 1.00 0.00 ATOM 168 O HIS A 21 2.783 -16.092 -24.262 1.00 0.00 ATOM 169 C HIS A 21 2.861 -15.153 -23.470 1.00 0.00 ATOM 170 N ASN A 22 1.890 -14.851 -22.621 1.00 0.00 ATOM 171 CA ASN A 22 0.625 -15.574 -22.628 1.00 0.00 ATOM 172 CB ASN A 22 0.338 -16.212 -21.263 1.00 0.00 ATOM 173 CG ASN A 22 -0.863 -17.144 -21.303 1.00 0.00 ATOM 174 ND2 ASN A 22 -1.583 -17.253 -20.195 1.00 0.00 ATOM 175 OD1 ASN A 22 -1.147 -17.763 -22.328 1.00 0.00 ATOM 176 O ASN A 22 -1.333 -14.239 -22.179 1.00 0.00 ATOM 177 C ASN A 22 -0.506 -14.625 -23.013 1.00 0.00 ATOM 178 N GLN A 23 -0.505 -14.225 -24.278 1.00 0.00 ATOM 179 CA GLN A 23 -1.484 -13.279 -24.788 1.00 0.00 ATOM 180 CB GLN A 23 -1.042 -12.738 -26.146 1.00 0.00 ATOM 181 CG GLN A 23 0.109 -11.751 -26.059 1.00 0.00 ATOM 182 CD GLN A 23 0.620 -11.330 -27.420 1.00 0.00 ATOM 183 OE1 GLN A 23 0.123 -10.371 -28.017 1.00 0.00 ATOM 184 NE2 GLN A 23 1.629 -12.033 -27.910 1.00 0.00 ATOM 185 O GLN A 23 -3.000 -15.088 -25.247 1.00 0.00 ATOM 186 C GLN A 23 -2.862 -13.916 -24.885 1.00 0.00 ATOM 187 N LYS A 24 -3.877 -13.129 -24.576 1.00 0.00 ATOM 188 CA LYS A 24 -5.232 -13.636 -24.447 1.00 0.00 ATOM 189 CB LYS A 24 -5.735 -13.360 -23.028 1.00 0.00 ATOM 190 CG LYS A 24 -4.801 -13.871 -21.940 1.00 0.00 ATOM 191 CD LYS A 24 -5.250 -13.418 -20.563 1.00 0.00 ATOM 192 CE LYS A 24 -4.256 -13.824 -19.486 1.00 0.00 ATOM 193 NZ LYS A 24 -2.903 -13.248 -19.721 1.00 0.00 ATOM 194 O LYS A 24 -5.746 -12.116 -26.244 1.00 0.00 ATOM 195 C LYS A 24 -6.162 -12.981 -25.466 1.00 0.00 ATOM 196 N ASP A 25 -7.417 -13.403 -25.449 1.00 0.00 ATOM 197 CA ASP A 25 -8.449 -12.820 -26.294 1.00 0.00 ATOM 198 CB ASP A 25 -8.850 -13.784 -27.421 1.00 0.00 ATOM 199 CG ASP A 25 -9.875 -13.189 -28.369 1.00 0.00 ATOM 200 OD1 ASP A 25 -9.477 -12.442 -29.288 1.00 0.00 ATOM 201 OD2 ASP A 25 -11.078 -13.481 -28.216 1.00 0.00 ATOM 202 O ASP A 25 -10.595 -13.257 -25.294 1.00 0.00 ATOM 203 C ASP A 25 -9.651 -12.474 -25.426 1.00 0.00 ATOM 204 N ASN A 26 -9.586 -11.312 -24.798 1.00 0.00 ATOM 205 CA ASN A 26 -10.578 -10.918 -23.810 1.00 0.00 ATOM 206 CB ASN A 26 -10.332 -11.688 -22.506 1.00 0.00 ATOM 207 CG ASN A 26 -11.261 -11.282 -21.381 1.00 0.00 ATOM 208 ND2 ASN A 26 -10.832 -10.325 -20.572 1.00 0.00 ATOM 209 OD1 ASN A 26 -12.350 -11.833 -21.233 1.00 0.00 ATOM 210 O ASN A 26 -9.407 -8.849 -23.548 1.00 0.00 ATOM 211 C ASN A 26 -10.498 -9.420 -23.557 1.00 0.00 ATOM 212 N ASP A 27 -11.643 -8.787 -23.361 1.00 0.00 ATOM 213 CA ASP A 27 -11.674 -7.362 -23.063 1.00 0.00 ATOM 214 CB ASP A 27 -12.665 -6.627 -23.971 1.00 0.00 ATOM 215 CG ASP A 27 -12.553 -5.113 -23.847 1.00 0.00 ATOM 216 OD1 ASP A 27 -12.818 -4.575 -22.755 1.00 0.00 ATOM 217 OD2 ASP A 27 -12.206 -4.451 -24.851 1.00 0.00 ATOM 218 O ASP A 27 -13.070 -7.634 -21.129 1.00 0.00 ATOM 219 C ASP A 27 -12.046 -7.143 -21.603 1.00 0.00 ATOM 220 N ASN A 28 -11.191 -6.429 -20.895 1.00 0.00 ATOM 221 CA ASN A 28 -11.430 -6.094 -19.497 1.00 0.00 ATOM 222 CB ASN A 28 -10.408 -6.812 -18.599 1.00 0.00 ATOM 223 CG ASN A 28 -8.966 -6.486 -18.958 1.00 0.00 ATOM 224 ND2 ASN A 28 -8.384 -5.515 -18.269 1.00 0.00 ATOM 225 OD1 ASN A 28 -8.375 -7.113 -19.837 1.00 0.00 ATOM 226 O ASN A 28 -10.939 -4.090 -18.258 1.00 0.00 ATOM 227 C ASN A 28 -11.344 -4.583 -19.316 1.00 0.00 ATOM 228 N GLU A 29 -11.762 -3.863 -20.361 1.00 0.00 ATOM 229 CA GLU A 29 -11.628 -2.410 -20.435 1.00 0.00 ATOM 230 CB GLU A 29 -12.364 -1.715 -19.290 1.00 0.00 ATOM 231 CG GLU A 29 -13.875 -1.862 -19.362 1.00 0.00 ATOM 232 CD GLU A 29 -14.589 -0.967 -18.379 1.00 0.00 ATOM 233 OE1 GLU A 29 -14.742 -1.369 -17.209 1.00 0.00 ATOM 234 OE2 GLU A 29 -14.996 0.149 -18.769 1.00 0.00 ATOM 235 O GLU A 29 -9.734 -1.054 -19.822 1.00 0.00 ATOM 236 C GLU A 29 -10.160 -2.017 -20.463 1.00 0.00 ATOM 237 N VAL A 30 -9.395 -2.782 -21.221 1.00 0.00 ATOM 238 CA VAL A 30 -7.992 -2.492 -21.442 1.00 0.00 ATOM 239 CB VAL A 30 -7.236 -3.760 -21.924 1.00 0.00 ATOM 240 CG1 VAL A 30 -7.876 -4.339 -23.178 1.00 0.00 ATOM 241 CG2 VAL A 30 -5.763 -3.474 -22.163 1.00 0.00 ATOM 242 O VAL A 30 -8.607 -1.324 -23.442 1.00 0.00 ATOM 243 C VAL A 30 -7.860 -1.361 -22.462 1.00 0.00 ATOM 244 N PRO A 31 -6.959 -0.394 -22.213 1.00 0.00 ATOM 245 CA PRO A 31 -6.733 0.731 -23.129 1.00 0.00 ATOM 246 CB PRO A 31 -5.563 1.487 -22.495 1.00 0.00 ATOM 247 CG PRO A 31 -5.595 1.110 -21.055 1.00 0.00 ATOM 248 CD PRO A 31 -6.107 -0.302 -21.010 1.00 0.00 ATOM 249 O PRO A 31 -5.246 -0.127 -24.816 1.00 0.00 ATOM 250 C PRO A 31 -6.374 0.281 -24.547 1.00 0.00 ATOM 251 N VAL A 32 -7.351 0.342 -25.441 1.00 0.00 ATOM 252 CA VAL A 32 -7.145 -0.008 -26.834 1.00 0.00 ATOM 253 CB VAL A 32 -8.164 -1.057 -27.327 1.00 0.00 ATOM 254 CG1 VAL A 32 -7.910 -1.407 -28.785 1.00 0.00 ATOM 255 CG2 VAL A 32 -8.116 -2.310 -26.469 1.00 0.00 ATOM 256 O VAL A 32 -8.323 1.842 -27.797 1.00 0.00 ATOM 257 C VAL A 32 -7.255 1.234 -27.692 1.00 0.00 ATOM 258 N HIS A 33 -6.146 1.617 -28.284 1.00 0.00 ATOM 259 CA HIS A 33 -6.095 2.815 -29.096 1.00 0.00 ATOM 260 CB HIS A 33 -5.672 4.004 -28.233 1.00 0.00 ATOM 261 CG HIS A 33 -6.461 5.241 -28.495 1.00 0.00 ATOM 262 CD2 HIS A 33 -7.788 5.467 -28.392 1.00 0.00 ATOM 263 ND1 HIS A 33 -5.897 6.434 -28.886 1.00 0.00 ATOM 264 CE1 HIS A 33 -6.847 7.342 -29.012 1.00 0.00 ATOM 265 NE2 HIS A 33 -8.006 6.783 -28.717 1.00 0.00 ATOM 266 O HIS A 33 -4.195 1.814 -30.137 1.00 0.00 ATOM 267 C HIS A 33 -5.111 2.629 -30.235 1.00 0.00 ATOM 268 N GLN A 34 -5.306 3.368 -31.314 1.00 0.00 ATOM 269 CA GLN A 34 -4.353 3.361 -32.407 1.00 0.00 ATOM 270 CB GLN A 34 -4.995 3.859 -33.703 1.00 0.00 ATOM 271 CG GLN A 34 -6.075 2.934 -34.232 1.00 0.00 ATOM 272 CD GLN A 34 -6.610 3.378 -35.576 1.00 0.00 ATOM 273 OE1 GLN A 34 -6.083 3.001 -36.622 1.00 0.00 ATOM 274 NE2 GLN A 34 -7.668 4.171 -35.557 1.00 0.00 ATOM 275 O GLN A 34 -3.281 5.443 -31.898 1.00 0.00 ATOM 276 C GLN A 34 -3.162 4.223 -32.029 1.00 0.00 ATOM 277 N VAL A 35 -2.026 3.578 -31.826 1.00 0.00 ATOM 278 CA VAL A 35 -0.843 4.260 -31.338 1.00 0.00 ATOM 279 CB VAL A 35 0.192 3.270 -30.762 1.00 0.00 ATOM 280 CG1 VAL A 35 1.353 4.013 -30.119 1.00 0.00 ATOM 281 CG2 VAL A 35 -0.465 2.339 -29.755 1.00 0.00 ATOM 282 O VAL A 35 0.555 4.599 -33.265 1.00 0.00 ATOM 283 C VAL A 35 -0.211 5.095 -32.441 1.00 0.00 ATOM 284 N SER A 36 -0.593 6.354 -32.478 1.00 0.00 ATOM 285 CA SER A 36 -0.002 7.306 -33.393 1.00 0.00 ATOM 286 CB SER A 36 -1.050 8.330 -33.831 1.00 0.00 ATOM 287 OG SER A 36 -0.525 9.216 -34.807 1.00 0.00 ATOM 288 O SER A 36 1.322 7.867 -31.487 1.00 0.00 ATOM 289 C SER A 36 1.172 7.986 -32.704 1.00 0.00 ATOM 290 N TYR A 37 1.991 8.706 -33.466 1.00 0.00 ATOM 291 CA TYR A 37 3.192 9.340 -32.925 1.00 0.00 ATOM 292 CB TYR A 37 3.925 10.112 -34.028 1.00 0.00 ATOM 293 CG TYR A 37 5.356 10.459 -33.685 1.00 0.00 ATOM 294 CD1 TYR A 37 5.715 11.746 -33.308 1.00 0.00 ATOM 295 CD2 TYR A 37 6.351 9.491 -33.739 1.00 0.00 ATOM 296 CE1 TYR A 37 7.025 12.058 -32.993 1.00 0.00 ATOM 297 CE2 TYR A 37 7.661 9.795 -33.427 1.00 0.00 ATOM 298 CZ TYR A 37 7.994 11.079 -33.056 1.00 0.00 ATOM 299 OH TYR A 37 9.299 11.383 -32.736 1.00 0.00 ATOM 300 O TYR A 37 3.568 10.365 -30.780 1.00 0.00 ATOM 301 C TYR A 37 2.836 10.271 -31.764 1.00 0.00 ATOM 302 N THR A 38 1.685 10.927 -31.876 1.00 0.00 ATOM 303 CA THR A 38 1.203 11.823 -30.834 1.00 0.00 ATOM 304 CB THR A 38 -0.048 12.583 -31.309 1.00 0.00 ATOM 305 CG2 THR A 38 -0.259 13.855 -30.500 1.00 0.00 ATOM 306 OG1 THR A 38 0.082 12.912 -32.698 1.00 0.00 ATOM 307 O THR A 38 1.027 11.545 -28.450 1.00 0.00 ATOM 308 C THR A 38 0.852 11.049 -29.560 1.00 0.00 ATOM 309 N ASN A 39 0.379 9.817 -29.731 1.00 0.00 ATOM 310 CA ASN A 39 -0.084 9.005 -28.608 1.00 0.00 ATOM 311 CB ASN A 39 -0.887 7.795 -29.102 1.00 0.00 ATOM 312 CG ASN A 39 -2.391 8.014 -29.020 1.00 0.00 ATOM 313 ND2 ASN A 39 -2.821 9.264 -29.112 1.00 0.00 ATOM 314 OD1 ASN A 39 -3.161 7.064 -28.872 1.00 0.00 ATOM 315 O ASN A 39 0.916 8.381 -26.529 1.00 0.00 ATOM 316 C ASN A 39 1.077 8.551 -27.738 1.00 0.00 ATOM 317 N LEU A 40 2.248 8.364 -28.345 1.00 0.00 ATOM 318 CA LEU A 40 3.439 7.993 -27.584 1.00 0.00 ATOM 319 CB LEU A 40 4.679 7.864 -28.487 1.00 0.00 ATOM 320 CG LEU A 40 4.823 6.549 -29.262 1.00 0.00 ATOM 321 CD1 LEU A 40 4.655 5.353 -28.338 1.00 0.00 ATOM 322 CD2 LEU A 40 3.837 6.482 -30.415 1.00 0.00 ATOM 323 O LEU A 40 3.787 8.687 -25.316 1.00 0.00 ATOM 324 C LEU A 40 3.715 9.022 -26.498 1.00 0.00 ATOM 325 N ALA A 41 3.831 10.279 -26.907 1.00 0.00 ATOM 326 CA ALA A 41 4.151 11.365 -25.990 1.00 0.00 ATOM 327 CB ALA A 41 4.260 12.679 -26.748 1.00 0.00 ATOM 328 O ALA A 41 3.464 11.771 -23.727 1.00 0.00 ATOM 329 C ALA A 41 3.115 11.483 -24.873 1.00 0.00 ATOM 330 N GLU A 42 1.851 11.239 -25.210 1.00 0.00 ATOM 331 CA GLU A 42 0.762 11.324 -24.240 1.00 0.00 ATOM 332 CB GLU A 42 -0.575 11.001 -24.906 1.00 0.00 ATOM 333 CG GLU A 42 -1.037 12.070 -25.879 1.00 0.00 ATOM 334 CD GLU A 42 -1.199 13.421 -25.216 1.00 0.00 ATOM 335 OE1 GLU A 42 -2.089 13.560 -24.351 1.00 0.00 ATOM 336 OE2 GLU A 42 -0.437 14.350 -25.557 1.00 0.00 ATOM 337 O GLU A 42 1.021 10.838 -21.906 1.00 0.00 ATOM 338 C GLU A 42 0.990 10.391 -23.055 1.00 0.00 ATOM 339 N MET A 43 1.166 9.107 -23.334 1.00 0.00 ATOM 340 CA MET A 43 1.351 8.124 -22.273 1.00 0.00 ATOM 341 CB MET A 43 1.113 6.699 -22.786 1.00 0.00 ATOM 342 CG MET A 43 -0.330 6.231 -22.646 1.00 0.00 ATOM 343 SD MET A 43 -1.466 7.040 -23.794 1.00 0.00 ATOM 344 CE MET A 43 -1.006 6.252 -25.337 1.00 0.00 ATOM 345 O MET A 43 2.893 8.031 -20.444 1.00 0.00 ATOM 346 C MET A 43 2.737 8.234 -21.645 1.00 0.00 ATOM 347 N VAL A 44 3.740 8.563 -22.452 1.00 0.00 ATOM 348 CA VAL A 44 5.103 8.706 -21.948 1.00 0.00 ATOM 349 CB VAL A 44 6.120 8.916 -23.101 1.00 0.00 ATOM 350 CG1 VAL A 44 7.485 9.320 -22.567 1.00 0.00 ATOM 351 CG2 VAL A 44 6.248 7.648 -23.932 1.00 0.00 ATOM 352 O VAL A 44 5.890 9.766 -19.935 1.00 0.00 ATOM 353 C VAL A 44 5.195 9.863 -20.950 1.00 0.00 ATOM 354 N GLY A 45 4.472 10.941 -21.234 1.00 0.00 ATOM 355 CA GLY A 45 4.497 12.111 -20.375 1.00 0.00 ATOM 356 O GLY A 45 4.766 12.115 -17.998 1.00 0.00 ATOM 357 C GLY A 45 4.051 11.813 -18.956 1.00 0.00 ATOM 358 N GLU A 46 2.877 11.204 -18.817 1.00 0.00 ATOM 359 CA GLU A 46 2.338 10.887 -17.500 1.00 0.00 ATOM 360 CB GLU A 46 0.854 10.518 -17.600 1.00 0.00 ATOM 361 CG GLU A 46 0.562 9.362 -18.542 1.00 0.00 ATOM 362 CD GLU A 46 -0.921 9.084 -18.672 1.00 0.00 ATOM 363 OE1 GLU A 46 -1.588 9.770 -19.472 1.00 0.00 ATOM 364 OE2 GLU A 46 -1.426 8.177 -17.977 1.00 0.00 ATOM 365 O GLU A 46 3.261 9.710 -15.623 1.00 0.00 ATOM 366 C GLU A 46 3.133 9.761 -16.844 1.00 0.00 ATOM 367 N MET A 47 3.687 8.882 -17.669 1.00 0.00 ATOM 368 CA MET A 47 4.463 7.749 -17.183 1.00 0.00 ATOM 369 CB MET A 47 4.878 6.863 -18.361 1.00 0.00 ATOM 370 CG MET A 47 5.339 5.466 -17.971 1.00 0.00 ATOM 371 SD MET A 47 3.987 4.269 -17.873 1.00 0.00 ATOM 372 CE MET A 47 3.094 4.826 -16.424 1.00 0.00 ATOM 373 O MET A 47 6.035 7.694 -15.367 1.00 0.00 ATOM 374 C MET A 47 5.703 8.225 -16.426 1.00 0.00 ATOM 375 N ASN A 48 6.370 9.240 -16.967 1.00 0.00 ATOM 376 CA ASN A 48 7.590 9.765 -16.356 1.00 0.00 ATOM 377 CB ASN A 48 8.299 10.752 -17.291 1.00 0.00 ATOM 378 CG ASN A 48 9.154 10.068 -18.343 1.00 0.00 ATOM 379 ND2 ASN A 48 8.581 9.807 -19.506 1.00 0.00 ATOM 380 OD1 ASN A 48 10.327 9.781 -18.115 1.00 0.00 ATOM 381 O ASN A 48 7.988 10.206 -14.034 1.00 0.00 ATOM 382 C ASN A 48 7.301 10.449 -15.025 1.00 0.00 ATOM 383 N LYS A 49 6.260 11.278 -14.994 1.00 0.00 ATOM 384 CA LYS A 49 5.957 12.082 -13.809 1.00 0.00 ATOM 385 CB LYS A 49 4.997 13.231 -14.168 1.00 0.00 ATOM 386 CG LYS A 49 3.640 12.791 -14.705 1.00 0.00 ATOM 387 CD LYS A 49 2.600 12.659 -13.598 1.00 0.00 ATOM 388 CE LYS A 49 2.318 14.001 -12.936 1.00 0.00 ATOM 389 NZ LYS A 49 1.343 13.881 -11.820 1.00 0.00 ATOM 390 O LYS A 49 5.147 11.721 -11.572 1.00 0.00 ATOM 391 C LYS A 49 5.398 11.225 -12.672 1.00 0.00 ATOM 392 N LEU A 50 5.208 9.938 -12.936 1.00 0.00 ATOM 393 CA LEU A 50 4.751 9.007 -11.912 1.00 0.00 ATOM 394 CB LEU A 50 3.841 7.935 -12.524 1.00 0.00 ATOM 395 CG LEU A 50 2.462 8.424 -12.968 1.00 0.00 ATOM 396 CD1 LEU A 50 1.681 7.295 -13.625 1.00 0.00 ATOM 397 CD2 LEU A 50 1.687 8.988 -11.784 1.00 0.00 ATOM 398 O LEU A 50 5.811 7.895 -10.073 1.00 0.00 ATOM 399 C LEU A 50 5.931 8.339 -11.212 1.00 0.00 ATOM 400 N LEU A 51 7.073 8.287 -11.890 1.00 0.00 ATOM 401 CA LEU A 51 8.236 7.566 -11.375 1.00 0.00 ATOM 402 CB LEU A 51 8.843 6.702 -12.482 1.00 0.00 ATOM 403 CG LEU A 51 8.017 5.473 -12.867 1.00 0.00 ATOM 404 CD1 LEU A 51 8.597 4.806 -14.104 1.00 0.00 ATOM 405 CD2 LEU A 51 7.975 4.488 -11.709 1.00 0.00 ATOM 406 O LEU A 51 10.134 8.104 -10.003 1.00 0.00 ATOM 407 C LEU A 51 9.292 8.510 -10.804 1.00 0.00 ATOM 408 N GLU A 52 9.236 9.770 -11.208 1.00 0.00 ATOM 409 CA GLU A 52 10.186 10.776 -10.733 1.00 0.00 ATOM 410 CB GLU A 52 9.888 12.127 -11.369 1.00 0.00 ATOM 411 CG GLU A 52 10.265 12.185 -12.839 1.00 0.00 ATOM 412 CD GLU A 52 11.764 12.091 -13.081 1.00 0.00 ATOM 413 OE1 GLU A 52 12.347 13.077 -13.579 1.00 0.00 ATOM 414 OE2 GLU A 52 12.366 11.034 -12.788 1.00 0.00 ATOM 415 O GLU A 52 11.322 11.023 -8.632 1.00 0.00 ATOM 416 C GLU A 52 10.232 10.902 -9.196 1.00 0.00 ATOM 417 N PRO A 53 9.081 10.892 -8.479 1.00 0.00 ATOM 418 CA PRO A 53 9.082 10.989 -7.008 1.00 0.00 ATOM 419 CB PRO A 53 7.628 11.327 -6.683 1.00 0.00 ATOM 420 CG PRO A 53 6.845 10.710 -7.786 1.00 0.00 ATOM 421 CD PRO A 53 7.702 10.828 -9.015 1.00 0.00 ATOM 422 O PRO A 53 9.308 9.554 -5.090 1.00 0.00 ATOM 423 C PRO A 53 9.496 9.691 -6.299 1.00 0.00 ATOM 424 N SER A 54 10.062 8.747 -7.039 1.00 0.00 ATOM 425 CA SER A 54 10.504 7.490 -6.451 1.00 0.00 ATOM 426 CB SER A 54 9.656 6.327 -6.982 1.00 0.00 ATOM 427 OG SER A 54 9.935 6.058 -8.346 1.00 0.00 ATOM 428 O SER A 54 12.663 8.131 -7.293 1.00 0.00 ATOM 429 C SER A 54 11.979 7.252 -6.761 1.00 0.00 ATOM 430 N GLN A 55 12.467 6.065 -6.423 1.00 0.00 ATOM 431 CA GLN A 55 13.834 5.684 -6.747 1.00 0.00 ATOM 432 CB GLN A 55 14.367 4.647 -5.758 1.00 0.00 ATOM 433 CG GLN A 55 15.016 5.238 -4.520 1.00 0.00 ATOM 434 CD GLN A 55 14.065 6.062 -3.677 1.00 0.00 ATOM 435 OE1 GLN A 55 13.933 7.269 -3.865 1.00 0.00 ATOM 436 NE2 GLN A 55 13.401 5.416 -2.734 1.00 0.00 ATOM 437 O GLN A 55 14.975 4.986 -8.733 1.00 0.00 ATOM 438 C GLN A 55 13.897 5.115 -8.153 1.00 0.00 ATOM 439 N VAL A 56 12.735 4.783 -8.698 1.00 0.00 ATOM 440 CA VAL A 56 12.657 4.223 -10.032 1.00 0.00 ATOM 441 CB VAL A 56 11.313 3.499 -10.273 1.00 0.00 ATOM 442 CG1 VAL A 56 11.325 2.768 -11.606 1.00 0.00 ATOM 443 CG2 VAL A 56 11.001 2.540 -9.137 1.00 0.00 ATOM 444 O VAL A 56 11.855 5.781 -11.682 1.00 0.00 ATOM 445 C VAL A 56 12.823 5.332 -11.069 1.00 0.00 ATOM 446 N HIS A 57 14.044 5.812 -11.230 1.00 0.00 ATOM 447 CA HIS A 57 14.300 6.867 -12.191 1.00 0.00 ATOM 448 CB HIS A 57 15.444 7.781 -11.748 1.00 0.00 ATOM 449 CG HIS A 57 15.033 8.775 -10.708 1.00 0.00 ATOM 450 CD2 HIS A 57 15.195 8.770 -9.365 1.00 0.00 ATOM 451 ND1 HIS A 57 14.349 9.937 -11.004 1.00 0.00 ATOM 452 CE1 HIS A 57 14.112 10.599 -9.890 1.00 0.00 ATOM 453 NE2 HIS A 57 14.613 9.914 -8.878 1.00 0.00 ATOM 454 O HIS A 57 15.722 6.121 -13.976 1.00 0.00 ATOM 455 C HIS A 57 14.573 6.284 -13.561 1.00 0.00 ATOM 456 N LEU A 58 13.500 5.923 -14.238 1.00 0.00 ATOM 457 CA LEU A 58 13.589 5.457 -15.605 1.00 0.00 ATOM 458 CB LEU A 58 12.500 4.427 -15.903 1.00 0.00 ATOM 459 CG LEU A 58 12.535 3.170 -15.036 1.00 0.00 ATOM 460 CD1 LEU A 58 11.421 2.223 -15.443 1.00 0.00 ATOM 461 CD2 LEU A 58 13.891 2.483 -15.141 1.00 0.00 ATOM 462 O LEU A 58 12.602 7.505 -16.354 1.00 0.00 ATOM 463 C LEU A 58 13.455 6.637 -16.550 1.00 0.00 ATOM 464 N LYS A 59 14.310 6.687 -17.547 1.00 0.00 ATOM 465 CA LYS A 59 14.245 7.736 -18.540 1.00 0.00 ATOM 466 CB LYS A 59 15.598 8.442 -18.649 1.00 0.00 ATOM 467 CG LYS A 59 16.009 9.107 -17.341 1.00 0.00 ATOM 468 CD LYS A 59 17.349 9.815 -17.441 1.00 0.00 ATOM 469 CE LYS A 59 18.492 8.848 -17.700 1.00 0.00 ATOM 470 NZ LYS A 59 19.814 9.482 -17.456 1.00 0.00 ATOM 471 O LYS A 59 14.555 6.417 -20.518 1.00 0.00 ATOM 472 C LYS A 59 13.806 7.142 -19.864 1.00 0.00 ATOM 473 N PHE A 60 12.562 7.415 -20.220 1.00 0.00 ATOM 474 CA PHE A 60 11.963 6.836 -21.409 1.00 0.00 ATOM 475 CB PHE A 60 10.436 6.842 -21.287 1.00 0.00 ATOM 476 CG PHE A 60 9.915 6.029 -20.131 1.00 0.00 ATOM 477 CD1 PHE A 60 9.627 6.632 -18.915 1.00 0.00 ATOM 478 CD2 PHE A 60 9.709 4.666 -20.263 1.00 0.00 ATOM 479 CE1 PHE A 60 9.143 5.890 -17.854 1.00 0.00 ATOM 480 CE2 PHE A 60 9.225 3.918 -19.204 1.00 0.00 ATOM 481 CZ PHE A 60 8.941 4.533 -18.000 1.00 0.00 ATOM 482 O PHE A 60 12.290 8.825 -22.711 1.00 0.00 ATOM 483 C PHE A 60 12.393 7.598 -22.652 1.00 0.00 ATOM 484 N GLU A 61 12.867 6.862 -23.642 1.00 0.00 ATOM 485 CA GLU A 61 13.326 7.455 -24.885 1.00 0.00 ATOM 486 CB GLU A 61 14.795 7.104 -25.116 1.00 0.00 ATOM 487 CG GLU A 61 15.765 8.104 -24.519 1.00 0.00 ATOM 488 CD GLU A 61 15.880 9.355 -25.359 1.00 0.00 ATOM 489 OE1 GLU A 61 16.670 9.349 -26.329 1.00 0.00 ATOM 490 OE2 GLU A 61 15.187 10.346 -25.066 1.00 0.00 ATOM 491 O GLU A 61 12.254 5.763 -26.197 1.00 0.00 ATOM 492 C GLU A 61 12.497 6.960 -26.057 1.00 0.00 ATOM 493 N LEU A 62 12.087 7.884 -26.906 1.00 0.00 ATOM 494 CA LEU A 62 11.348 7.538 -28.104 1.00 0.00 ATOM 495 CB LEU A 62 10.231 8.551 -28.366 1.00 0.00 ATOM 496 CG LEU A 62 9.312 8.222 -29.547 1.00 0.00 ATOM 497 CD1 LEU A 62 8.517 6.960 -29.269 1.00 0.00 ATOM 498 CD2 LEU A 62 8.374 9.387 -29.828 1.00 0.00 ATOM 499 O LEU A 62 12.916 8.523 -29.611 1.00 0.00 ATOM 500 C LEU A 62 12.303 7.510 -29.281 1.00 0.00 ATOM 501 N HIS A 63 12.455 6.354 -29.896 1.00 0.00 ATOM 502 CA HIS A 63 13.346 6.230 -31.032 1.00 0.00 ATOM 503 CB HIS A 63 14.650 5.536 -30.640 1.00 0.00 ATOM 504 CG HIS A 63 15.589 6.447 -29.913 1.00 0.00 ATOM 505 CD2 HIS A 63 15.837 6.595 -28.591 1.00 0.00 ATOM 506 ND1 HIS A 63 16.390 7.363 -30.555 1.00 0.00 ATOM 507 CE1 HIS A 63 17.093 8.033 -29.660 1.00 0.00 ATOM 508 NE2 HIS A 63 16.776 7.589 -28.458 1.00 0.00 ATOM 509 O HIS A 63 12.072 4.447 -32.010 1.00 0.00 ATOM 510 C HIS A 63 12.662 5.516 -32.178 1.00 0.00 ATOM 511 N ASP A 64 12.741 6.133 -33.336 1.00 0.00 ATOM 512 CA ASP A 64 12.059 5.652 -34.520 1.00 0.00 ATOM 513 CB ASP A 64 11.457 6.836 -35.283 1.00 0.00 ATOM 514 CG ASP A 64 12.507 7.801 -35.804 1.00 0.00 ATOM 515 OD1 ASP A 64 13.149 8.491 -34.979 1.00 0.00 ATOM 516 OD2 ASP A 64 12.685 7.889 -37.037 1.00 0.00 ATOM 517 O ASP A 64 14.194 5.211 -35.529 1.00 0.00 ATOM 518 C ASP A 64 13.015 4.867 -35.406 1.00 0.00 ATOM 519 N LYS A 65 12.506 3.797 -35.996 1.00 0.00 ATOM 520 CA LYS A 65 13.304 2.941 -36.855 1.00 0.00 ATOM 521 CB LYS A 65 13.931 1.799 -36.049 1.00 0.00 ATOM 522 CG LYS A 65 12.910 0.855 -35.427 1.00 0.00 ATOM 523 CD LYS A 65 13.558 -0.402 -34.868 1.00 0.00 ATOM 524 CE LYS A 65 14.090 -1.284 -35.986 1.00 0.00 ATOM 525 NZ LYS A 65 14.576 -2.594 -35.482 1.00 0.00 ATOM 526 O LYS A 65 11.431 1.723 -37.714 1.00 0.00 ATOM 527 C LYS A 65 12.453 2.357 -37.974 1.00 0.00 ATOM 528 N LEU A 66 12.877 2.594 -39.208 1.00 0.00 ATOM 529 CA LEU A 66 12.275 1.970 -40.385 1.00 0.00 ATOM 530 CB LEU A 66 12.464 0.444 -40.308 1.00 0.00 ATOM 531 CG LEU A 66 12.601 -0.289 -41.652 1.00 0.00 ATOM 532 CD1 LEU A 66 12.974 -1.746 -41.421 1.00 0.00 ATOM 533 CD2 LEU A 66 11.314 -0.196 -42.456 1.00 0.00 ATOM 534 O LEU A 66 10.444 3.280 -41.248 1.00 0.00 ATOM 535 C LEU A 66 10.788 2.342 -40.529 1.00 0.00 ATOM 536 N ASN A 67 9.918 1.619 -39.830 1.00 0.00 ATOM 537 CA ASN A 67 8.479 1.841 -39.912 1.00 0.00 ATOM 538 CB ASN A 67 7.803 0.638 -40.594 1.00 0.00 ATOM 539 CG ASN A 67 6.298 0.797 -40.764 1.00 0.00 ATOM 540 ND2 ASN A 67 5.523 0.246 -39.841 1.00 0.00 ATOM 541 OD1 ASN A 67 5.830 1.390 -41.738 1.00 0.00 ATOM 542 O ASN A 67 6.758 2.489 -38.364 1.00 0.00 ATOM 543 C ASN A 67 7.898 2.049 -38.519 1.00 0.00 ATOM 544 N GLU A 68 8.700 1.755 -37.501 1.00 0.00 ATOM 545 CA GLU A 68 8.219 1.791 -36.132 1.00 0.00 ATOM 546 CB GLU A 68 8.526 0.474 -35.410 1.00 0.00 ATOM 547 CG GLU A 68 8.026 -0.764 -36.133 1.00 0.00 ATOM 548 CD GLU A 68 6.558 -0.684 -36.492 1.00 0.00 ATOM 549 OE1 GLU A 68 6.208 -1.034 -37.637 1.00 0.00 ATOM 550 OE2 GLU A 68 5.750 -0.259 -35.640 1.00 0.00 ATOM 551 O GLU A 68 9.810 3.564 -35.823 1.00 0.00 ATOM 552 C GLU A 68 8.853 2.939 -35.363 1.00 0.00 ATOM 553 N TYR A 69 8.294 3.212 -34.199 1.00 0.00 ATOM 554 CA TYR A 69 8.853 4.170 -33.257 1.00 0.00 ATOM 555 CB TYR A 69 8.332 5.593 -33.516 1.00 0.00 ATOM 556 CG TYR A 69 6.976 5.656 -34.191 1.00 0.00 ATOM 557 CD1 TYR A 69 6.881 5.802 -35.570 1.00 0.00 ATOM 558 CD2 TYR A 69 5.798 5.571 -33.459 1.00 0.00 ATOM 559 CE1 TYR A 69 5.655 5.863 -36.199 1.00 0.00 ATOM 560 CE2 TYR A 69 4.565 5.633 -34.084 1.00 0.00 ATOM 561 CZ TYR A 69 4.501 5.778 -35.454 1.00 0.00 ATOM 562 OH TYR A 69 3.278 5.836 -36.079 1.00 0.00 ATOM 563 O TYR A 69 7.383 3.826 -31.397 1.00 0.00 ATOM 564 C TYR A 69 8.521 3.710 -31.848 1.00 0.00 ATOM 565 N TYR A 70 9.505 3.144 -31.170 1.00 0.00 ATOM 566 CA TYR A 70 9.261 2.497 -29.894 1.00 0.00 ATOM 567 CB TYR A 70 9.781 1.053 -29.916 1.00 0.00 ATOM 568 CG TYR A 70 11.287 0.928 -30.006 1.00 0.00 ATOM 569 CD1 TYR A 70 12.059 0.798 -28.860 1.00 0.00 ATOM 570 CD2 TYR A 70 11.936 0.931 -31.235 1.00 0.00 ATOM 571 CE1 TYR A 70 13.430 0.679 -28.933 1.00 0.00 ATOM 572 CE2 TYR A 70 13.311 0.813 -31.316 1.00 0.00 ATOM 573 CZ TYR A 70 14.053 0.686 -30.161 1.00 0.00 ATOM 574 OH TYR A 70 15.419 0.561 -30.229 1.00 0.00 ATOM 575 O TYR A 70 10.738 4.150 -28.964 1.00 0.00 ATOM 576 C TYR A 70 9.896 3.268 -28.750 1.00 0.00 ATOM 577 N VAL A 71 9.496 2.922 -27.538 1.00 0.00 ATOM 578 CA VAL A 71 10.017 3.565 -26.350 1.00 0.00 ATOM 579 CB VAL A 71 8.887 3.974 -25.379 1.00 0.00 ATOM 580 CG1 VAL A 71 9.448 4.731 -24.183 1.00 0.00 ATOM 581 CG2 VAL A 71 7.837 4.808 -26.100 1.00 0.00 ATOM 582 O VAL A 71 10.603 1.555 -25.168 1.00 0.00 ATOM 583 C VAL A 71 10.984 2.633 -25.635 1.00 0.00 ATOM 584 N LYS A 72 12.240 3.038 -25.578 1.00 0.00 ATOM 585 CA LYS A 72 13.247 2.273 -24.867 1.00 0.00 ATOM 586 CB LYS A 72 14.572 2.226 -25.642 1.00 0.00 ATOM 587 CG LYS A 72 15.093 3.586 -26.078 1.00 0.00 ATOM 588 CD LYS A 72 16.494 3.490 -26.667 1.00 0.00 ATOM 589 CE LYS A 72 16.561 2.510 -27.829 1.00 0.00 ATOM 590 NZ LYS A 72 17.926 2.427 -28.418 1.00 0.00 ATOM 591 O LYS A 72 13.562 4.075 -23.312 1.00 0.00 ATOM 592 C LYS A 72 13.450 2.858 -23.479 1.00 0.00 ATOM 593 N VAL A 73 13.468 1.987 -22.485 1.00 0.00 ATOM 594 CA VAL A 73 13.611 2.399 -21.100 1.00 0.00 ATOM 595 CB VAL A 73 12.853 1.444 -20.152 1.00 0.00 ATOM 596 CG1 VAL A 73 12.964 1.914 -18.711 1.00 0.00 ATOM 597 CG2 VAL A 73 11.394 1.323 -20.562 1.00 0.00 ATOM 598 O VAL A 73 15.745 1.389 -20.680 1.00 0.00 ATOM 599 C VAL A 73 15.078 2.427 -20.705 1.00 0.00 ATOM 600 N ILE A 74 15.578 3.614 -20.405 1.00 0.00 ATOM 601 CA ILE A 74 16.954 3.772 -19.973 1.00 0.00 ATOM 602 CB ILE A 74 17.620 4.989 -20.653 1.00 0.00 ATOM 603 CG1 ILE A 74 17.600 4.810 -22.172 1.00 0.00 ATOM 604 CG2 ILE A 74 19.047 5.173 -20.150 1.00 0.00 ATOM 605 CD1 ILE A 74 18.178 5.984 -22.933 1.00 0.00 ATOM 606 O ILE A 74 16.383 4.840 -17.902 1.00 0.00 ATOM 607 C ILE A 74 17.009 3.936 -18.460 1.00 0.00 ATOM 608 N GLU A 75 17.736 3.047 -17.802 1.00 0.00 ATOM 609 CA GLU A 75 17.891 3.109 -16.359 1.00 0.00 ATOM 610 CB GLU A 75 18.283 1.735 -15.808 1.00 0.00 ATOM 611 CG GLU A 75 18.334 1.674 -14.291 1.00 0.00 ATOM 612 CD GLU A 75 19.004 0.416 -13.775 1.00 0.00 ATOM 613 OE1 GLU A 75 18.312 -0.608 -13.593 1.00 0.00 ATOM 614 OE2 GLU A 75 20.233 0.454 -13.544 1.00 0.00 ATOM 615 O GLU A 75 20.105 4.026 -16.418 1.00 0.00 ATOM 616 C GLU A 75 18.950 4.148 -16.009 1.00 0.00 ATOM 617 N ASP A 76 18.554 5.169 -15.258 1.00 0.00 ATOM 618 CA ASP A 76 19.433 6.302 -14.972 1.00 0.00 ATOM 619 CB ASP A 76 18.691 7.358 -14.152 1.00 0.00 ATOM 620 CG ASP A 76 19.561 8.555 -13.828 1.00 0.00 ATOM 621 OD1 ASP A 76 19.861 9.344 -14.751 1.00 0.00 ATOM 622 OD2 ASP A 76 19.940 8.720 -12.651 1.00 0.00 ATOM 623 O ASP A 76 21.773 6.435 -14.467 1.00 0.00 ATOM 624 C ASP A 76 20.703 5.877 -14.239 1.00 0.00 ATOM 625 N SER A 77 20.590 4.870 -13.389 1.00 0.00 ATOM 626 CA SER A 77 21.712 4.430 -12.571 1.00 0.00 ATOM 627 CB SER A 77 21.201 3.488 -11.483 1.00 0.00 ATOM 628 OG SER A 77 20.094 2.740 -11.953 1.00 0.00 ATOM 629 O SER A 77 23.965 3.690 -12.965 1.00 0.00 ATOM 630 C SER A 77 22.810 3.754 -13.397 1.00 0.00 ATOM 631 N THR A 78 22.459 3.251 -14.576 1.00 0.00 ATOM 632 CA THR A 78 23.424 2.554 -15.419 1.00 0.00 ATOM 633 CB THR A 78 22.999 1.093 -15.645 1.00 0.00 ATOM 634 CG2 THR A 78 23.420 0.226 -14.471 1.00 0.00 ATOM 635 OG1 THR A 78 21.578 1.020 -15.827 1.00 0.00 ATOM 636 O THR A 78 24.628 2.998 -17.448 1.00 0.00 ATOM 637 C THR A 78 23.631 3.247 -16.767 1.00 0.00 ATOM 638 N ASN A 79 22.680 4.105 -17.145 1.00 0.00 ATOM 639 CA ASN A 79 22.761 4.892 -18.386 1.00 0.00 ATOM 640 CB ASN A 79 24.103 5.638 -18.495 1.00 0.00 ATOM 641 CG ASN A 79 24.128 6.959 -17.741 1.00 0.00 ATOM 642 ND2 ASN A 79 23.404 7.043 -16.636 1.00 0.00 ATOM 643 OD1 ASN A 79 24.802 7.903 -18.151 1.00 0.00 ATOM 644 O ASN A 79 22.863 4.449 -20.744 1.00 0.00 ATOM 645 C ASN A 79 22.554 4.026 -19.627 1.00 0.00 ATOM 646 N GLU A 80 22.007 2.830 -19.446 1.00 0.00 ATOM 647 CA GLU A 80 21.779 1.936 -20.572 1.00 0.00 ATOM 648 CB GLU A 80 22.641 0.677 -20.458 1.00 0.00 ATOM 649 CG GLU A 80 22.273 -0.239 -19.298 1.00 0.00 ATOM 650 CD GLU A 80 23.010 -1.561 -19.366 1.00 0.00 ATOM 651 OE1 GLU A 80 24.118 -1.666 -18.797 1.00 0.00 ATOM 652 OE2 GLU A 80 22.502 -2.497 -20.016 1.00 0.00 ATOM 653 O GLU A 80 19.534 1.692 -19.740 1.00 0.00 ATOM 654 C GLU A 80 20.310 1.550 -20.690 1.00 0.00 ATOM 655 N VAL A 81 19.941 1.067 -21.867 1.00 0.00 ATOM 656 CA VAL A 81 18.587 0.605 -22.122 1.00 0.00 ATOM 657 CB VAL A 81 18.290 0.559 -23.633 1.00 0.00 ATOM 658 CG1 VAL A 81 16.837 0.189 -23.878 1.00 0.00 ATOM 659 CG2 VAL A 81 18.625 1.891 -24.286 1.00 0.00 ATOM 660 O VAL A 81 19.056 -1.737 -21.937 1.00 0.00 ATOM 661 C VAL A 81 18.386 -0.786 -21.535 1.00 0.00 ATOM 662 N ILE A 82 17.473 -0.901 -20.585 1.00 0.00 ATOM 663 CA ILE A 82 17.226 -2.172 -19.916 1.00 0.00 ATOM 664 CB ILE A 82 17.049 -1.982 -18.392 1.00 0.00 ATOM 665 CG1 ILE A 82 15.971 -0.926 -18.105 1.00 0.00 ATOM 666 CG2 ILE A 82 18.375 -1.594 -17.752 1.00 0.00 ATOM 667 CD1 ILE A 82 15.648 -0.763 -16.635 1.00 0.00 ATOM 668 O ILE A 82 15.777 -4.057 -20.242 1.00 0.00 ATOM 669 C ILE A 82 15.992 -2.870 -20.477 1.00 0.00 ATOM 670 N ARG A 83 15.186 -2.133 -21.230 1.00 0.00 ATOM 671 CA ARG A 83 13.936 -2.670 -21.751 1.00 0.00 ATOM 672 CB ARG A 83 12.865 -2.611 -20.661 1.00 0.00 ATOM 673 CG ARG A 83 11.709 -3.579 -20.856 1.00 0.00 ATOM 674 CD ARG A 83 12.153 -5.017 -20.646 1.00 0.00 ATOM 675 NE ARG A 83 11.021 -5.923 -20.430 1.00 0.00 ATOM 676 CZ ARG A 83 10.893 -7.121 -21.002 1.00 0.00 ATOM 677 NH1 ARG A 83 11.764 -7.525 -21.911 1.00 0.00 ATOM 678 NH2 ARG A 83 9.878 -7.911 -20.669 1.00 0.00 ATOM 679 O ARG A 83 13.498 -0.638 -22.934 1.00 0.00 ATOM 680 C ARG A 83 13.485 -1.864 -22.963 1.00 0.00 ATOM 681 N GLU A 84 13.105 -2.546 -24.031 1.00 0.00 ATOM 682 CA GLU A 84 12.606 -1.868 -25.219 1.00 0.00 ATOM 683 CB GLU A 84 13.507 -2.145 -26.424 1.00 0.00 ATOM 684 CG GLU A 84 14.944 -1.694 -26.222 1.00 0.00 ATOM 685 CD GLU A 84 15.806 -1.924 -27.446 1.00 0.00 ATOM 686 OE1 GLU A 84 16.177 -3.088 -27.707 1.00 0.00 ATOM 687 OE2 GLU A 84 16.128 -0.940 -28.145 1.00 0.00 ATOM 688 O GLU A 84 10.931 -3.496 -25.747 1.00 0.00 ATOM 689 C GLU A 84 11.180 -2.312 -25.511 1.00 0.00 ATOM 690 N ILE A 85 10.247 -1.370 -25.478 1.00 0.00 ATOM 691 CA ILE A 85 8.845 -1.688 -25.689 1.00 0.00 ATOM 692 CB ILE A 85 7.942 -1.209 -24.520 1.00 0.00 ATOM 693 CG1 ILE A 85 8.368 -1.839 -23.185 1.00 0.00 ATOM 694 CG2 ILE A 85 6.483 -1.539 -24.807 1.00 0.00 ATOM 695 CD1 ILE A 85 9.521 -1.127 -22.509 1.00 0.00 ATOM 696 O ILE A 85 8.315 0.164 -27.127 1.00 0.00 ATOM 697 C ILE A 85 8.343 -1.061 -26.988 1.00 0.00 ATOM 698 N PRO A 86 7.961 -1.895 -27.965 1.00 0.00 ATOM 699 CA PRO A 86 7.364 -1.422 -29.213 1.00 0.00 ATOM 700 CB PRO A 86 7.215 -2.699 -30.052 1.00 0.00 ATOM 701 CG PRO A 86 7.207 -3.810 -29.059 1.00 0.00 ATOM 702 CD PRO A 86 8.091 -3.363 -27.931 1.00 0.00 ATOM 703 O PRO A 86 5.290 -1.139 -28.030 1.00 0.00 ATOM 704 C PRO A 86 6.001 -0.770 -28.969 1.00 0.00 ATOM 705 N PRO A 87 5.608 0.194 -29.821 1.00 0.00 ATOM 706 CA PRO A 87 4.367 0.966 -29.645 1.00 0.00 ATOM 707 CB PRO A 87 4.309 1.859 -30.894 1.00 0.00 ATOM 708 CG PRO A 87 5.258 1.242 -31.864 1.00 0.00 ATOM 709 CD PRO A 87 6.331 0.601 -31.035 1.00 0.00 ATOM 710 O PRO A 87 2.167 0.386 -28.866 1.00 0.00 ATOM 711 C PRO A 87 3.130 0.074 -29.564 1.00 0.00 ATOM 712 N LYS A 88 3.184 -1.056 -30.251 1.00 0.00 ATOM 713 CA LYS A 88 2.055 -1.974 -30.311 1.00 0.00 ATOM 714 CB LYS A 88 2.123 -2.799 -31.601 1.00 0.00 ATOM 715 CG LYS A 88 3.450 -3.509 -31.810 1.00 0.00 ATOM 716 CD LYS A 88 3.504 -4.207 -33.161 1.00 0.00 ATOM 717 CE LYS A 88 2.392 -5.234 -33.308 1.00 0.00 ATOM 718 NZ LYS A 88 2.469 -5.962 -34.603 1.00 0.00 ATOM 719 O LYS A 88 1.140 -3.771 -28.998 1.00 0.00 ATOM 720 C LYS A 88 1.990 -2.885 -29.080 1.00 0.00 ATOM 721 N ARG A 89 2.892 -2.669 -28.127 1.00 0.00 ATOM 722 CA ARG A 89 2.820 -3.359 -26.840 1.00 0.00 ATOM 723 CB ARG A 89 3.970 -4.356 -26.662 1.00 0.00 ATOM 724 CG ARG A 89 4.091 -5.382 -27.775 1.00 0.00 ATOM 725 CD ARG A 89 5.006 -6.526 -27.364 1.00 0.00 ATOM 726 NE ARG A 89 5.711 -7.098 -28.507 1.00 0.00 ATOM 727 CZ ARG A 89 6.719 -7.965 -28.407 1.00 0.00 ATOM 728 NH1 ARG A 89 7.103 -8.404 -27.215 1.00 0.00 ATOM 729 NH2 ARG A 89 7.339 -8.386 -29.499 1.00 0.00 ATOM 730 O ARG A 89 2.752 -2.706 -24.530 1.00 0.00 ATOM 731 C ARG A 89 2.855 -2.345 -25.703 1.00 0.00 ATOM 732 N TRP A 90 2.989 -1.075 -26.064 1.00 0.00 ATOM 733 CA TRP A 90 3.124 -0.007 -25.083 1.00 0.00 ATOM 734 CB TRP A 90 3.473 1.311 -25.787 1.00 0.00 ATOM 735 CG TRP A 90 3.695 2.456 -24.845 1.00 0.00 ATOM 736 CD1 TRP A 90 2.875 3.529 -24.655 1.00 0.00 ATOM 737 CD2 TRP A 90 4.808 2.637 -23.959 1.00 0.00 ATOM 738 CE2 TRP A 90 4.595 3.845 -23.268 1.00 0.00 ATOM 739 CE3 TRP A 90 5.964 1.900 -23.686 1.00 0.00 ATOM 740 NE1 TRP A 90 3.409 4.369 -23.711 1.00 0.00 ATOM 741 CZ2 TRP A 90 5.492 4.328 -22.320 1.00 0.00 ATOM 742 CZ3 TRP A 90 6.854 2.381 -22.743 1.00 0.00 ATOM 743 CH2 TRP A 90 6.613 3.587 -22.073 1.00 0.00 ATOM 744 O TRP A 90 1.883 0.498 -23.090 1.00 0.00 ATOM 745 C TRP A 90 1.842 0.143 -24.265 1.00 0.00 ATOM 746 N LEU A 91 0.708 -0.158 -24.892 1.00 0.00 ATOM 747 CA LEU A 91 -0.589 -0.058 -24.230 1.00 0.00 ATOM 748 CB LEU A 91 -1.720 -0.338 -25.221 1.00 0.00 ATOM 749 CG LEU A 91 -1.816 0.643 -26.390 1.00 0.00 ATOM 750 CD1 LEU A 91 -2.931 0.230 -27.335 1.00 0.00 ATOM 751 CD2 LEU A 91 -2.042 2.061 -25.883 1.00 0.00 ATOM 752 O LEU A 91 -1.219 -0.678 -21.997 1.00 0.00 ATOM 753 C LEU A 91 -0.679 -1.022 -23.050 1.00 0.00 ATOM 754 N ASP A 92 -0.134 -2.224 -23.225 1.00 0.00 ATOM 755 CA ASP A 92 -0.161 -3.231 -22.170 1.00 0.00 ATOM 756 CB ASP A 92 0.204 -4.616 -22.715 1.00 0.00 ATOM 757 CG ASP A 92 0.085 -5.697 -21.654 1.00 0.00 ATOM 758 OD1 ASP A 92 -1.045 -6.190 -21.431 1.00 0.00 ATOM 759 OD2 ASP A 92 1.109 -6.050 -21.037 1.00 0.00 ATOM 760 O ASP A 92 0.433 -2.913 -19.874 1.00 0.00 ATOM 761 C ASP A 92 0.791 -2.849 -21.047 1.00 0.00 ATOM 762 N PHE A 93 1.998 -2.425 -21.418 1.00 0.00 ATOM 763 CA PHE A 93 2.985 -1.973 -20.442 1.00 0.00 ATOM 764 CB PHE A 93 4.289 -1.575 -21.143 1.00 0.00 ATOM 765 CG PHE A 93 5.320 -0.995 -20.211 1.00 0.00 ATOM 766 CD1 PHE A 93 6.087 -1.818 -19.403 1.00 0.00 ATOM 767 CD2 PHE A 93 5.518 0.376 -20.143 1.00 0.00 ATOM 768 CE1 PHE A 93 7.030 -1.285 -18.543 1.00 0.00 ATOM 769 CE2 PHE A 93 6.460 0.914 -19.286 1.00 0.00 ATOM 770 CZ PHE A 93 7.215 0.084 -18.486 1.00 0.00 ATOM 771 O PHE A 93 2.623 -0.719 -18.423 1.00 0.00 ATOM 772 C PHE A 93 2.442 -0.793 -19.642 1.00 0.00 ATOM 773 N TYR A 94 1.785 0.123 -20.345 1.00 0.00 ATOM 774 CA TYR A 94 1.145 1.271 -19.722 1.00 0.00 ATOM 775 CB TYR A 94 0.387 2.078 -20.783 1.00 0.00 ATOM 776 CG TYR A 94 -0.489 3.184 -20.232 1.00 0.00 ATOM 777 CD1 TYR A 94 -1.850 3.205 -20.501 1.00 0.00 ATOM 778 CD2 TYR A 94 0.043 4.207 -19.455 1.00 0.00 ATOM 779 CE1 TYR A 94 -2.661 4.208 -20.009 1.00 0.00 ATOM 780 CE2 TYR A 94 -0.764 5.214 -18.959 1.00 0.00 ATOM 781 CZ TYR A 94 -2.114 5.211 -19.242 1.00 0.00 ATOM 782 OH TYR A 94 -2.924 6.213 -18.753 1.00 0.00 ATOM 783 O TYR A 94 0.320 1.261 -17.474 1.00 0.00 ATOM 784 C TYR A 94 0.204 0.817 -18.613 1.00 0.00 ATOM 785 N ALA A 95 -0.703 -0.094 -18.943 1.00 0.00 ATOM 786 CA ALA A 95 -1.657 -0.606 -17.970 1.00 0.00 ATOM 787 CB ALA A 95 -2.690 -1.485 -18.657 1.00 0.00 ATOM 788 O ALA A 95 -1.215 -1.172 -15.680 1.00 0.00 ATOM 789 C ALA A 95 -0.946 -1.379 -16.865 1.00 0.00 ATOM 790 N ALA A 96 -0.022 -2.250 -17.267 1.00 0.00 ATOM 791 CA ALA A 96 0.716 -3.099 -16.337 1.00 0.00 ATOM 792 CB ALA A 96 1.797 -3.878 -17.074 1.00 0.00 ATOM 793 O ALA A 96 1.181 -2.633 -14.030 1.00 0.00 ATOM 794 C ALA A 96 1.333 -2.295 -15.206 1.00 0.00 ATOM 795 N MET A 97 2.025 -1.225 -15.559 1.00 0.00 ATOM 796 CA MET A 97 2.704 -0.421 -14.561 1.00 0.00 ATOM 797 CB MET A 97 3.907 0.314 -15.155 1.00 0.00 ATOM 798 CG MET A 97 4.837 0.870 -14.087 1.00 0.00 ATOM 799 SD MET A 97 6.485 1.252 -14.707 1.00 0.00 ATOM 800 CE MET A 97 6.123 2.518 -15.912 1.00 0.00 ATOM 801 O MET A 97 1.957 0.921 -12.736 1.00 0.00 ATOM 802 C MET A 97 1.743 0.550 -13.881 1.00 0.00 ATOM 803 N THR A 98 0.691 0.966 -14.578 1.00 0.00 ATOM 804 CA THR A 98 -0.305 1.859 -13.985 1.00 0.00 ATOM 805 CB THR A 98 -1.326 2.363 -15.032 1.00 0.00 ATOM 806 CG2 THR A 98 -2.433 3.177 -14.381 1.00 0.00 ATOM 807 OG1 THR A 98 -0.662 3.167 -16.014 1.00 0.00 ATOM 808 O THR A 98 -1.213 1.802 -11.778 1.00 0.00 ATOM 809 C THR A 98 -1.037 1.189 -12.829 1.00 0.00 ATOM 810 N GLU A 99 -1.454 -0.061 -13.003 1.00 0.00 ATOM 811 CA GLU A 99 -2.051 -0.798 -11.897 1.00 0.00 ATOM 812 CB GLU A 99 -2.428 -2.219 -12.312 1.00 0.00 ATOM 813 CG GLU A 99 -3.838 -2.360 -12.866 1.00 0.00 ATOM 814 CD GLU A 99 -4.006 -1.810 -14.268 1.00 0.00 ATOM 815 OE1 GLU A 99 -3.828 -2.588 -15.232 1.00 0.00 ATOM 816 OE2 GLU A 99 -4.348 -0.615 -14.414 1.00 0.00 ATOM 817 O GLU A 99 -1.458 -0.641 -9.577 1.00 0.00 ATOM 818 C GLU A 99 -1.078 -0.849 -10.724 1.00 0.00 ATOM 819 N PHE A 100 0.178 -1.117 -11.036 1.00 0.00 ATOM 820 CA PHE A 100 1.235 -1.173 -10.034 1.00 0.00 ATOM 821 CB PHE A 100 2.530 -1.664 -10.686 1.00 0.00 ATOM 822 CG PHE A 100 3.713 -1.707 -9.763 1.00 0.00 ATOM 823 CD1 PHE A 100 3.800 -2.666 -8.768 1.00 0.00 ATOM 824 CD2 PHE A 100 4.747 -0.798 -9.905 1.00 0.00 ATOM 825 CE1 PHE A 100 4.897 -2.713 -7.931 1.00 0.00 ATOM 826 CE2 PHE A 100 5.844 -0.839 -9.072 1.00 0.00 ATOM 827 CZ PHE A 100 5.920 -1.800 -8.083 1.00 0.00 ATOM 828 O PHE A 100 1.337 0.312 -8.146 1.00 0.00 ATOM 829 C PHE A 100 1.455 0.191 -9.363 1.00 0.00 ATOM 830 N LEU A 101 1.745 1.217 -10.159 1.00 0.00 ATOM 831 CA LEU A 101 2.073 2.538 -9.626 1.00 0.00 ATOM 832 CB LEU A 101 2.627 3.457 -10.719 1.00 0.00 ATOM 833 CG LEU A 101 3.988 3.056 -11.283 1.00 0.00 ATOM 834 CD1 LEU A 101 4.423 4.038 -12.356 1.00 0.00 ATOM 835 CD2 LEU A 101 5.027 2.985 -10.176 1.00 0.00 ATOM 836 O LEU A 101 0.994 3.859 -7.951 1.00 0.00 ATOM 837 C LEU A 101 0.863 3.188 -8.971 1.00 0.00 ATOM 838 N GLY A 102 -0.314 2.972 -9.545 1.00 0.00 ATOM 839 CA GLY A 102 -1.523 3.569 -9.006 1.00 0.00 ATOM 840 O GLY A 102 -2.778 3.491 -6.972 1.00 0.00 ATOM 841 C GLY A 102 -1.925 2.956 -7.681 1.00 0.00 ATOM 842 N LEU A 103 -1.317 1.823 -7.352 1.00 0.00 ATOM 843 CA LEU A 103 -1.498 1.228 -6.030 1.00 0.00 ATOM 844 CB LEU A 103 -1.095 -0.249 -6.023 1.00 0.00 ATOM 845 CG LEU A 103 -2.039 -1.185 -6.779 1.00 0.00 ATOM 846 CD1 LEU A 103 -1.541 -2.617 -6.699 1.00 0.00 ATOM 847 CD2 LEU A 103 -3.457 -1.083 -6.234 1.00 0.00 ATOM 848 O LEU A 103 -1.012 1.991 -3.801 1.00 0.00 ATOM 849 C LEU A 103 -0.689 1.996 -4.990 1.00 0.00 ATOM 850 N PHE A 104 0.361 2.662 -5.450 1.00 0.00 ATOM 851 CA PHE A 104 1.202 3.461 -4.574 1.00 0.00 ATOM 852 CB PHE A 104 2.655 3.447 -5.052 1.00 0.00 ATOM 853 CG PHE A 104 3.334 2.117 -4.887 1.00 0.00 ATOM 854 CD1 PHE A 104 4.069 1.842 -3.746 1.00 0.00 ATOM 855 CD2 PHE A 104 3.243 1.148 -5.869 1.00 0.00 ATOM 856 CE1 PHE A 104 4.698 0.623 -3.586 1.00 0.00 ATOM 857 CE2 PHE A 104 3.868 -0.073 -5.717 1.00 0.00 ATOM 858 CZ PHE A 104 4.598 -0.336 -4.573 1.00 0.00 ATOM 859 O PHE A 104 0.512 5.434 -3.406 1.00 0.00 ATOM 860 C PHE A 104 0.694 4.894 -4.497 1.00 0.00 ATOM 861 N VAL A 105 0.452 5.504 -5.654 1.00 0.00 ATOM 862 CA VAL A 105 -0.010 6.887 -5.697 1.00 0.00 ATOM 863 CB VAL A 105 0.104 7.518 -7.102 1.00 0.00 ATOM 864 CG1 VAL A 105 1.542 7.907 -7.407 1.00 0.00 ATOM 865 CG2 VAL A 105 -0.436 6.582 -8.165 1.00 0.00 ATOM 866 O VAL A 105 -2.212 6.067 -5.235 1.00 0.00 ATOM 867 C VAL A 105 -1.435 7.025 -5.221 1.00 0.00 ATOM 868 N ASP A 106 -1.758 8.230 -4.787 1.00 0.00 ATOM 869 CA ASP A 106 -3.093 8.556 -4.365 1.00 0.00 ATOM 870 CB ASP A 106 -3.135 9.909 -3.657 1.00 0.00 ATOM 871 CG ASP A 106 -4.510 10.220 -3.112 1.00 0.00 ATOM 872 OD1 ASP A 106 -5.239 10.996 -3.754 1.00 0.00 ATOM 873 OD2 ASP A 106 -4.865 9.678 -2.040 1.00 0.00 ATOM 874 O ASP A 106 -3.928 9.435 -6.433 1.00 0.00 ATOM 875 C ASP A 106 -4.002 8.556 -5.573 1.00 0.00 ATOM 876 N GLU A 107 -4.768 7.492 -5.652 1.00 0.00 ATOM 877 CA GLU A 107 -5.790 7.267 -6.692 1.00 0.00 ATOM 878 CB GLU A 107 -6.405 5.887 -6.456 1.00 0.00 ATOM 879 CG GLU A 107 -7.322 5.404 -7.563 1.00 0.00 ATOM 880 CD GLU A 107 -8.009 4.103 -7.200 1.00 0.00 ATOM 881 OE1 GLU A 107 -7.370 3.033 -7.300 1.00 0.00 ATOM 882 OE2 GLU A 107 -9.181 4.147 -6.774 1.00 0.00 ATOM 883 O GLU A 107 -8.088 8.067 -6.683 1.00 0.00 ATOM 884 C GLU A 107 -6.890 8.354 -6.691 1.00 0.00 ATOM 885 N LYS A 108 -6.450 9.592 -6.703 1.00 0.00 ATOM 886 CA LYS A 108 -7.304 10.770 -6.836 1.00 0.00 ATOM 887 CB LYS A 108 -7.767 11.312 -5.470 1.00 0.00 ATOM 888 CG LYS A 108 -8.383 10.282 -4.538 1.00 0.00 ATOM 889 CD LYS A 108 -8.805 10.917 -3.222 1.00 0.00 ATOM 890 CE LYS A 108 -9.091 9.873 -2.152 1.00 0.00 ATOM 891 NZ LYS A 108 -10.237 8.994 -2.505 1.00 0.00 ATOM 892 O LYS A 108 -6.940 12.516 -8.455 1.00 0.00 ATOM 893 C LYS A 108 -6.482 11.844 -7.533 1.00 0.00 ATOM 894 N LYS A 109 -5.237 11.963 -7.083 1.00 0.00 ATOM 895 CA LYS A 109 -4.272 12.905 -7.636 1.00 0.00 ATOM 896 CB LYS A 109 -3.097 13.046 -6.670 1.00 0.00 ATOM 897 CG LYS A 109 -3.438 13.773 -5.380 1.00 0.00 ATOM 898 CD LYS A 109 -2.331 13.609 -4.353 1.00 0.00 ATOM 899 CE LYS A 109 -0.983 14.043 -4.906 1.00 0.00 ATOM 900 NZ LYS A 109 0.131 13.662 -4.000 1.00 0.00 ATOM 901 O LYS A 109 -3.019 13.184 -9.660 1.00 0.00 ATOM 902 C LYS A 109 -3.742 12.447 -8.989 1.00 0.00 ATOM 903 N LEU A 110 -4.079 11.226 -9.384 1.00 0.00 ATOM 904 CA LEU A 110 -3.573 10.681 -10.632 1.00 0.00 ATOM 905 CB LEU A 110 -3.883 9.168 -10.742 1.00 0.00 ATOM 906 CG LEU A 110 -5.307 8.692 -10.394 1.00 0.00 ATOM 907 CD1 LEU A 110 -6.321 9.068 -11.466 1.00 0.00 ATOM 908 CD2 LEU A 110 -5.303 7.187 -10.212 1.00 0.00 ATOM 909 O LEU A 110 -3.326 11.748 -12.764 1.00 0.00 ATOM 910 C LEU A 110 -4.084 11.476 -11.834 1.00 0.00 ATOM 911 N GLU A 111 -5.353 11.878 -11.752 1.00 0.00 ATOM 912 CA GLU A 111 -6.067 12.641 -12.791 1.00 0.00 ATOM 913 CB GLU A 111 -6.038 14.136 -12.465 1.00 0.00 ATOM 914 CG GLU A 111 -7.420 14.728 -12.223 1.00 0.00 ATOM 915 CD GLU A 111 -8.294 14.741 -13.466 1.00 0.00 ATOM 916 OE1 GLU A 111 -8.746 15.835 -13.865 1.00 0.00 ATOM 917 OE2 GLU A 111 -8.535 13.665 -14.056 1.00 0.00 ATOM 918 O GLU A 111 -5.389 13.346 -14.988 1.00 0.00 ATOM 919 C GLU A 111 -5.549 12.402 -14.212 1.00 0.00 ATOM 920 N HIS A 112 -5.305 11.149 -14.564 1.00 0.00 ATOM 921 CA HIS A 112 -4.906 10.838 -15.923 1.00 0.00 ATOM 922 CB HIS A 112 -3.609 9.996 -15.978 1.00 0.00 ATOM 923 CG HIS A 112 -3.695 8.606 -15.432 1.00 0.00 ATOM 924 CD2 HIS A 112 -4.460 8.084 -14.456 1.00 0.00 ATOM 925 ND1 HIS A 112 -2.920 7.573 -15.902 1.00 0.00 ATOM 926 CE1 HIS A 112 -3.205 6.472 -15.240 1.00 0.00 ATOM 927 NE2 HIS A 112 -4.141 6.751 -14.350 1.00 0.00 ATOM 928 O HIS A 112 -6.173 8.963 -16.768 1.00 0.00 ATOM 929 C HIS A 112 -6.071 10.183 -16.660 1.00 0.00 ATOM 930 N HIS A 113 -6.973 11.023 -17.140 1.00 0.00 ATOM 931 CA HIS A 113 -8.233 10.554 -17.691 1.00 0.00 ATOM 932 CB HIS A 113 -9.377 11.534 -17.366 1.00 0.00 ATOM 933 CG HIS A 113 -9.087 12.980 -17.670 1.00 0.00 ATOM 934 CD2 HIS A 113 -9.168 13.679 -18.827 1.00 0.00 ATOM 935 ND1 HIS A 113 -8.682 13.884 -16.711 1.00 0.00 ATOM 936 CE1 HIS A 113 -8.525 15.069 -17.268 1.00 0.00 ATOM 937 NE2 HIS A 113 -8.813 14.973 -18.551 1.00 0.00 ATOM 938 O HIS A 113 -8.169 11.208 -20.006 1.00 0.00 ATOM 939 C HIS A 113 -8.134 10.293 -19.189 1.00 0.00 ATOM 940 N HIS A 114 -7.972 9.030 -19.537 1.00 0.00 ATOM 941 CA HIS A 114 -8.046 8.615 -20.928 1.00 0.00 ATOM 942 CB HIS A 114 -7.021 7.522 -21.246 1.00 0.00 ATOM 943 CG HIS A 114 -5.647 8.065 -21.497 1.00 0.00 ATOM 944 CD2 HIS A 114 -5.210 8.947 -22.425 1.00 0.00 ATOM 945 ND1 HIS A 114 -4.537 7.709 -20.760 1.00 0.00 ATOM 946 CE1 HIS A 114 -3.482 8.354 -21.225 1.00 0.00 ATOM 947 NE2 HIS A 114 -3.862 9.113 -22.236 1.00 0.00 ATOM 948 O HIS A 114 -9.820 6.996 -20.974 1.00 0.00 ATOM 949 C HIS A 114 -9.457 8.146 -21.233 1.00 0.00 ATOM 950 N HIS A 115 -10.258 9.055 -21.764 1.00 0.00 ATOM 951 CA HIS A 115 -11.678 8.810 -21.934 1.00 0.00 ATOM 952 CB HIS A 115 -12.444 10.135 -21.996 1.00 0.00 ATOM 953 CG HIS A 115 -13.934 9.972 -22.042 1.00 0.00 ATOM 954 CD2 HIS A 115 -14.762 9.177 -21.322 1.00 0.00 ATOM 955 ND1 HIS A 115 -14.741 10.679 -22.901 1.00 0.00 ATOM 956 CE1 HIS A 115 -15.998 10.330 -22.713 1.00 0.00 ATOM 957 NE2 HIS A 115 -16.038 9.421 -21.760 1.00 0.00 ATOM 958 O HIS A 115 -12.132 8.485 -24.274 1.00 0.00 ATOM 959 C HIS A 115 -11.954 7.965 -23.175 1.00 0.00 ATOM 960 N HIS A 116 -11.940 6.658 -22.985 1.00 0.00 ATOM 961 CA HIS A 116 -12.380 5.721 -24.006 1.00 0.00 ATOM 962 CB HIS A 116 -11.260 5.394 -25.005 1.00 0.00 ATOM 963 CG HIS A 116 -11.710 4.547 -26.161 1.00 0.00 ATOM 964 CD2 HIS A 116 -11.749 3.199 -26.317 1.00 0.00 ATOM 965 ND1 HIS A 116 -12.190 5.075 -27.337 1.00 0.00 ATOM 966 CE1 HIS A 116 -12.505 4.097 -28.163 1.00 0.00 ATOM 967 NE2 HIS A 116 -12.249 2.949 -27.570 1.00 0.00 ATOM 968 O HIS A 116 -12.155 3.477 -23.178 1.00 0.00 ATOM 969 C HIS A 116 -12.884 4.457 -23.332 1.00 0.00 ATOM 970 N HIS 117 -14.117 4.519 -22.872 1.00 0.00 ATOM 971 CA HIS 117 -14.759 3.394 -22.217 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 T0350.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.623 # GDT_score = -18.860 # GDT_score(maxd=8.000,maxw=2.900)= -19.244 # GDT_score(maxd=8.000,maxw=3.200)= -18.567 # GDT_score(maxd=8.000,maxw=3.500)= -17.926 # GDT_score(maxd=10.000,maxw=3.800)= -18.616 # GDT_score(maxd=10.000,maxw=4.000)= -18.212 # GDT_score(maxd=10.000,maxw=4.200)= -17.814 # GDT_score(maxd=12.000,maxw=4.300)= -18.827 # GDT_score(maxd=12.000,maxw=4.500)= -18.421 # GDT_score(maxd=12.000,maxw=4.700)= -18.048 # GDT_score(maxd=14.000,maxw=5.200)= -18.301 # GDT_score(maxd=14.000,maxw=5.500)= -17.711 # command:# ReadConformPDB reading from PDB file T0350.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.544 # GDT_score = -29.605 # GDT_score(maxd=8.000,maxw=2.900)= -31.341 # GDT_score(maxd=8.000,maxw=3.200)= -29.949 # GDT_score(maxd=8.000,maxw=3.500)= -28.516 # GDT_score(maxd=10.000,maxw=3.800)= -29.390 # GDT_score(maxd=10.000,maxw=4.000)= -28.529 # GDT_score(maxd=10.000,maxw=4.200)= -27.694 # GDT_score(maxd=12.000,maxw=4.300)= -28.944 # GDT_score(maxd=12.000,maxw=4.500)= -28.139 # GDT_score(maxd=12.000,maxw=4.700)= -27.356 # GDT_score(maxd=14.000,maxw=5.200)= -26.786 # GDT_score(maxd=14.000,maxw=5.500)= -25.704 # command:# ReadConformPDB reading from PDB file T0350.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0350.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0350.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0350 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 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.edit13.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.edit4.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0350.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1017876609.pdb -s /var/tmp/to_scwrl_1017876609.seq -o /var/tmp/from_scwrl_1017876609.pdb > /var/tmp/scwrl_1017876609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017876609.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1317562508.pdb -s /var/tmp/to_scwrl_1317562508.seq -o /var/tmp/from_scwrl_1317562508.pdb > /var/tmp/scwrl_1317562508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1317562508.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1992196810.pdb -s /var/tmp/to_scwrl_1992196810.seq -o /var/tmp/from_scwrl_1992196810.pdb > /var/tmp/scwrl_1992196810.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992196810.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1927484325.pdb -s /var/tmp/to_scwrl_1927484325.seq -o /var/tmp/from_scwrl_1927484325.pdb > /var/tmp/scwrl_1927484325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1927484325.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1694556705.pdb -s /var/tmp/to_scwrl_1694556705.seq -o /var/tmp/from_scwrl_1694556705.pdb > /var/tmp/scwrl_1694556705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1694556705.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_933961796.pdb -s /var/tmp/to_scwrl_933961796.seq -o /var/tmp/from_scwrl_933961796.pdb > /var/tmp/scwrl_933961796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933961796.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_794673856.pdb -s /var/tmp/to_scwrl_794673856.seq -o /var/tmp/from_scwrl_794673856.pdb > /var/tmp/scwrl_794673856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_794673856.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_955933122.pdb -s /var/tmp/to_scwrl_955933122.seq -o /var/tmp/from_scwrl_955933122.pdb > /var/tmp/scwrl_955933122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_955933122.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_136324609.pdb -s /var/tmp/to_scwrl_136324609.seq -o /var/tmp/from_scwrl_136324609.pdb > /var/tmp/scwrl_136324609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_136324609.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_744293561.pdb -s /var/tmp/to_scwrl_744293561.seq -o /var/tmp/from_scwrl_744293561.pdb > /var/tmp/scwrl_744293561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_744293561.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_923058074.pdb -s /var/tmp/to_scwrl_923058074.seq -o /var/tmp/from_scwrl_923058074.pdb > /var/tmp/scwrl_923058074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_923058074.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1349594612.pdb -s /var/tmp/to_scwrl_1349594612.seq -o /var/tmp/from_scwrl_1349594612.pdb > /var/tmp/scwrl_1349594612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349594612.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_429877178.pdb -s /var/tmp/to_scwrl_429877178.seq -o /var/tmp/from_scwrl_429877178.pdb > /var/tmp/scwrl_429877178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_429877178.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1086721316.pdb -s /var/tmp/to_scwrl_1086721316.seq -o /var/tmp/from_scwrl_1086721316.pdb > /var/tmp/scwrl_1086721316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1086721316.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 T0350 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_616462223.pdb -s /var/tmp/to_scwrl_616462223.seq -o /var/tmp/from_scwrl_616462223.pdb > /var/tmp/scwrl_616462223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616462223.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 115 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_633169601.pdb -s /var/tmp/to_scwrl_633169601.seq -o /var/tmp/from_scwrl_633169601.pdb > /var/tmp/scwrl_633169601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_633169601.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2061167258.pdb -s /var/tmp/to_scwrl_2061167258.seq -o /var/tmp/from_scwrl_2061167258.pdb > /var/tmp/scwrl_2061167258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2061167258.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 99 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2022282213.pdb -s /var/tmp/to_scwrl_2022282213.seq -o /var/tmp/from_scwrl_2022282213.pdb > /var/tmp/scwrl_2022282213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2022282213.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1592757946.pdb -s /var/tmp/to_scwrl_1592757946.seq -o /var/tmp/from_scwrl_1592757946.pdb > /var/tmp/scwrl_1592757946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592757946.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_445837089.pdb -s /var/tmp/to_scwrl_445837089.seq -o /var/tmp/from_scwrl_445837089.pdb > /var/tmp/scwrl_445837089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_445837089.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 115 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1825576601.pdb -s /var/tmp/to_scwrl_1825576601.seq -o /var/tmp/from_scwrl_1825576601.pdb > /var/tmp/scwrl_1825576601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1825576601.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 99 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_318653603.pdb -s /var/tmp/to_scwrl_318653603.seq -o /var/tmp/from_scwrl_318653603.pdb > /var/tmp/scwrl_318653603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_318653603.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 85 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_634724767.pdb -s /var/tmp/to_scwrl_634724767.seq -o /var/tmp/from_scwrl_634724767.pdb > /var/tmp/scwrl_634724767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634724767.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 111 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1258224848.pdb -s /var/tmp/to_scwrl_1258224848.seq -o /var/tmp/from_scwrl_1258224848.pdb > /var/tmp/scwrl_1258224848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258224848.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 112 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1990675106.pdb -s /var/tmp/to_scwrl_1990675106.seq -o /var/tmp/from_scwrl_1990675106.pdb > /var/tmp/scwrl_1990675106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990675106.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 52 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1269387599.pdb -s /var/tmp/to_scwrl_1269387599.seq -o /var/tmp/from_scwrl_1269387599.pdb > /var/tmp/scwrl_1269387599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1269387599.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 86 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_289359645.pdb -s /var/tmp/to_scwrl_289359645.seq -o /var/tmp/from_scwrl_289359645.pdb > /var/tmp/scwrl_289359645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289359645.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 87 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_80491273.pdb -s /var/tmp/to_scwrl_80491273.seq -o /var/tmp/from_scwrl_80491273.pdb > /var/tmp/scwrl_80491273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_80491273.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1073156170.pdb -s /var/tmp/to_scwrl_1073156170.seq -o /var/tmp/from_scwrl_1073156170.pdb > /var/tmp/scwrl_1073156170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1073156170.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_524789089.pdb -s /var/tmp/to_scwrl_524789089.seq -o /var/tmp/from_scwrl_524789089.pdb > /var/tmp/scwrl_524789089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_524789089.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1520320272.pdb -s /var/tmp/to_scwrl_1520320272.seq -o /var/tmp/from_scwrl_1520320272.pdb > /var/tmp/scwrl_1520320272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1520320272.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 114 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2091032778.pdb -s /var/tmp/to_scwrl_2091032778.seq -o /var/tmp/from_scwrl_2091032778.pdb > /var/tmp/scwrl_2091032778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2091032778.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1842351597.pdb -s /var/tmp/to_scwrl_1842351597.seq -o /var/tmp/from_scwrl_1842351597.pdb > /var/tmp/scwrl_1842351597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1842351597.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1365033435.pdb -s /var/tmp/to_scwrl_1365033435.seq -o /var/tmp/from_scwrl_1365033435.pdb > /var/tmp/scwrl_1365033435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1365033435.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1871033456.pdb -s /var/tmp/to_scwrl_1871033456.seq -o /var/tmp/from_scwrl_1871033456.pdb > /var/tmp/scwrl_1871033456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1871033456.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1389424655.pdb -s /var/tmp/to_scwrl_1389424655.seq -o /var/tmp/from_scwrl_1389424655.pdb > /var/tmp/scwrl_1389424655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1389424655.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_151511584.pdb -s /var/tmp/to_scwrl_151511584.seq -o /var/tmp/from_scwrl_151511584.pdb > /var/tmp/scwrl_151511584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151511584.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 T0350 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_518223665.pdb -s /var/tmp/to_scwrl_518223665.seq -o /var/tmp/from_scwrl_518223665.pdb > /var/tmp/scwrl_518223665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518223665.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 T0350 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_197874130.pdb -s /var/tmp/to_scwrl_197874130.seq -o /var/tmp/from_scwrl_197874130.pdb > /var/tmp/scwrl_197874130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_197874130.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 T0350 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_287836194.pdb -s /var/tmp/to_scwrl_287836194.seq -o /var/tmp/from_scwrl_287836194.pdb > /var/tmp/scwrl_287836194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_287836194.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1262517226.pdb -s /var/tmp/to_scwrl_1262517226.seq -o /var/tmp/from_scwrl_1262517226.pdb > /var/tmp/scwrl_1262517226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1262517226.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 T0350 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1120932204.pdb -s /var/tmp/to_scwrl_1120932204.seq -o /var/tmp/from_scwrl_1120932204.pdb > /var/tmp/scwrl_1120932204.log Error: can't open any of /var/tmp/from_scwrl_1120932204.pdb or /var/tmp/from_scwrl_1120932204_b.pdb or /var/tmp/from_scwrl_1120932204_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 T0350 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1637430806.pdb -s /var/tmp/to_scwrl_1637430806.seq -o /var/tmp/from_scwrl_1637430806.pdb > /var/tmp/scwrl_1637430806.log Error: can't open any of /var/tmp/from_scwrl_1637430806.pdb or /var/tmp/from_scwrl_1637430806_b.pdb or /var/tmp/from_scwrl_1637430806_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 T0350 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1692394404.pdb -s /var/tmp/to_scwrl_1692394404.seq -o /var/tmp/from_scwrl_1692394404.pdb > /var/tmp/scwrl_1692394404.log Error: can't open any of /var/tmp/from_scwrl_1692394404.pdb or /var/tmp/from_scwrl_1692394404_b.pdb or /var/tmp/from_scwrl_1692394404_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 T0350 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_60169874.pdb -s /var/tmp/to_scwrl_60169874.seq -o /var/tmp/from_scwrl_60169874.pdb > /var/tmp/scwrl_60169874.log Error: can't open any of /var/tmp/from_scwrl_60169874.pdb or /var/tmp/from_scwrl_60169874_b.pdb or /var/tmp/from_scwrl_60169874_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 T0350 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_106409382.pdb -s /var/tmp/to_scwrl_106409382.seq -o /var/tmp/from_scwrl_106409382.pdb > /var/tmp/scwrl_106409382.log Error: can't open any of /var/tmp/from_scwrl_106409382.pdb or /var/tmp/from_scwrl_106409382_b.pdb or /var/tmp/from_scwrl_106409382_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 113 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_178080358.pdb -s /var/tmp/to_scwrl_178080358.seq -o /var/tmp/from_scwrl_178080358.pdb > /var/tmp/scwrl_178080358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_178080358.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2121337132.pdb -s /var/tmp/to_scwrl_2121337132.seq -o /var/tmp/from_scwrl_2121337132.pdb > /var/tmp/scwrl_2121337132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2121337132.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2128691596.pdb -s /var/tmp/to_scwrl_2128691596.seq -o /var/tmp/from_scwrl_2128691596.pdb > /var/tmp/scwrl_2128691596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128691596.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 T0350 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1770838304.pdb -s /var/tmp/to_scwrl_1770838304.seq -o /var/tmp/from_scwrl_1770838304.pdb > /var/tmp/scwrl_1770838304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1770838304.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 T0350 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_419690574.pdb -s /var/tmp/to_scwrl_419690574.seq -o /var/tmp/from_scwrl_419690574.pdb > /var/tmp/scwrl_419690574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419690574.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1806784550.pdb -s /var/tmp/to_scwrl_1806784550.seq -o /var/tmp/from_scwrl_1806784550.pdb > /var/tmp/scwrl_1806784550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1806784550.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2089491908.pdb -s /var/tmp/to_scwrl_2089491908.seq -o /var/tmp/from_scwrl_2089491908.pdb > /var/tmp/scwrl_2089491908.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2089491908.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 T0350 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1054415341.pdb -s /var/tmp/to_scwrl_1054415341.seq -o /var/tmp/from_scwrl_1054415341.pdb > /var/tmp/scwrl_1054415341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1054415341.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 113 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_917525752.pdb -s /var/tmp/to_scwrl_917525752.seq -o /var/tmp/from_scwrl_917525752.pdb > /var/tmp/scwrl_917525752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917525752.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1932683367.pdb -s /var/tmp/to_scwrl_1932683367.seq -o /var/tmp/from_scwrl_1932683367.pdb > /var/tmp/scwrl_1932683367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932683367.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 108 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_176319293.pdb -s /var/tmp/to_scwrl_176319293.seq -o /var/tmp/from_scwrl_176319293.pdb > /var/tmp/scwrl_176319293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176319293.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 61 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1206885397.pdb -s /var/tmp/to_scwrl_1206885397.seq -o /var/tmp/from_scwrl_1206885397.pdb > /var/tmp/scwrl_1206885397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1206885397.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 84 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2013174640.pdb -s /var/tmp/to_scwrl_2013174640.seq -o /var/tmp/from_scwrl_2013174640.pdb > /var/tmp/scwrl_2013174640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013174640.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 110 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1249475462.pdb -s /var/tmp/to_scwrl_1249475462.seq -o /var/tmp/from_scwrl_1249475462.pdb > /var/tmp/scwrl_1249475462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249475462.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 103 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1731674486.pdb -s /var/tmp/to_scwrl_1731674486.seq -o /var/tmp/from_scwrl_1731674486.pdb > /var/tmp/scwrl_1731674486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1731674486.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 T0350 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1386011265.pdb -s /var/tmp/to_scwrl_1386011265.seq -o /var/tmp/from_scwrl_1386011265.pdb > /var/tmp/scwrl_1386011265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386011265.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 T0350 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1193024593.pdb -s /var/tmp/to_scwrl_1193024593.seq -o /var/tmp/from_scwrl_1193024593.pdb > /var/tmp/scwrl_1193024593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1193024593.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1426542436.pdb -s /var/tmp/to_scwrl_1426542436.seq -o /var/tmp/from_scwrl_1426542436.pdb > /var/tmp/scwrl_1426542436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1426542436.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 T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_603561055.pdb -s /var/tmp/to_scwrl_603561055.seq -o /var/tmp/from_scwrl_603561055.pdb > /var/tmp/scwrl_603561055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_603561055.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 T0350 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_916574404.pdb -s /var/tmp/to_scwrl_916574404.seq -o /var/tmp/from_scwrl_916574404.pdb > /var/tmp/scwrl_916574404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916574404.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 T0350 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_668483445.pdb -s /var/tmp/to_scwrl_668483445.seq -o /var/tmp/from_scwrl_668483445.pdb > /var/tmp/scwrl_668483445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_668483445.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 T0350 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_755072639.pdb -s /var/tmp/to_scwrl_755072639.seq -o /var/tmp/from_scwrl_755072639.pdb > /var/tmp/scwrl_755072639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755072639.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1434798068.pdb -s /var/tmp/to_scwrl_1434798068.seq -o /var/tmp/from_scwrl_1434798068.pdb > /var/tmp/scwrl_1434798068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434798068.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 T0350 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_866357575.pdb -s /var/tmp/to_scwrl_866357575.seq -o /var/tmp/from_scwrl_866357575.pdb > /var/tmp/scwrl_866357575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866357575.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 T0350 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1042908833.pdb -s /var/tmp/to_scwrl_1042908833.seq -o /var/tmp/from_scwrl_1042908833.pdb > /var/tmp/scwrl_1042908833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1042908833.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 110 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_549831648.pdb -s /var/tmp/to_scwrl_549831648.seq -o /var/tmp/from_scwrl_549831648.pdb > /var/tmp/scwrl_549831648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_549831648.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 97 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1987289779.pdb -s /var/tmp/to_scwrl_1987289779.seq -o /var/tmp/from_scwrl_1987289779.pdb > /var/tmp/scwrl_1987289779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1987289779.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 97 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_532855993.pdb -s /var/tmp/to_scwrl_532855993.seq -o /var/tmp/from_scwrl_532855993.pdb > /var/tmp/scwrl_532855993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_532855993.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 66 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_94742406.pdb -s /var/tmp/to_scwrl_94742406.seq -o /var/tmp/from_scwrl_94742406.pdb > /var/tmp/scwrl_94742406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94742406.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 115 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2047459653.pdb -s /var/tmp/to_scwrl_2047459653.seq -o /var/tmp/from_scwrl_2047459653.pdb > /var/tmp/scwrl_2047459653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2047459653.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_639265375.pdb -s /var/tmp/to_scwrl_639265375.seq -o /var/tmp/from_scwrl_639265375.pdb > /var/tmp/scwrl_639265375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639265375.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_272822764.pdb -s /var/tmp/to_scwrl_272822764.seq -o /var/tmp/from_scwrl_272822764.pdb > /var/tmp/scwrl_272822764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_272822764.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2021313138.pdb -s /var/tmp/to_scwrl_2021313138.seq -o /var/tmp/from_scwrl_2021313138.pdb > /var/tmp/scwrl_2021313138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2021313138.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 T0350 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_620473324.pdb -s /var/tmp/to_scwrl_620473324.seq -o /var/tmp/from_scwrl_620473324.pdb > /var/tmp/scwrl_620473324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_620473324.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2043661069.pdb -s /var/tmp/to_scwrl_2043661069.seq -o /var/tmp/from_scwrl_2043661069.pdb > /var/tmp/scwrl_2043661069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2043661069.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 T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_293520065.pdb -s /var/tmp/to_scwrl_293520065.seq -o /var/tmp/from_scwrl_293520065.pdb > /var/tmp/scwrl_293520065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_293520065.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 T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_279774227.pdb -s /var/tmp/to_scwrl_279774227.seq -o /var/tmp/from_scwrl_279774227.pdb > /var/tmp/scwrl_279774227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_279774227.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 T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1985669330.pdb -s /var/tmp/to_scwrl_1985669330.seq -o /var/tmp/from_scwrl_1985669330.pdb > /var/tmp/scwrl_1985669330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1985669330.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1347935406.pdb -s /var/tmp/to_scwrl_1347935406.seq -o /var/tmp/from_scwrl_1347935406.pdb > /var/tmp/scwrl_1347935406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347935406.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1197299979.pdb -s /var/tmp/to_scwrl_1197299979.seq -o /var/tmp/from_scwrl_1197299979.pdb > /var/tmp/scwrl_1197299979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1197299979.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1770869050.pdb -s /var/tmp/to_scwrl_1770869050.seq -o /var/tmp/from_scwrl_1770869050.pdb > /var/tmp/scwrl_1770869050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1770869050.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 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1524254699.pdb -s /var/tmp/to_scwrl_1524254699.seq -o /var/tmp/from_scwrl_1524254699.pdb > /var/tmp/scwrl_1524254699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524254699.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 113 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_256701730.pdb -s /var/tmp/to_scwrl_256701730.seq -o /var/tmp/from_scwrl_256701730.pdb > /var/tmp/scwrl_256701730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_256701730.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1636560043.pdb -s /var/tmp/to_scwrl_1636560043.seq -o /var/tmp/from_scwrl_1636560043.pdb > /var/tmp/scwrl_1636560043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636560043.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 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_626246516.pdb -s /var/tmp/to_scwrl_626246516.seq -o /var/tmp/from_scwrl_626246516.pdb > /var/tmp/scwrl_626246516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_626246516.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1988376216.pdb -s /var/tmp/to_scwrl_1988376216.seq -o /var/tmp/from_scwrl_1988376216.pdb > /var/tmp/scwrl_1988376216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988376216.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_875087663.pdb -s /var/tmp/to_scwrl_875087663.seq -o /var/tmp/from_scwrl_875087663.pdb > /var/tmp/scwrl_875087663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875087663.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1819271109.pdb -s /var/tmp/to_scwrl_1819271109.seq -o /var/tmp/from_scwrl_1819271109.pdb > /var/tmp/scwrl_1819271109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1819271109.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1267435005.pdb -s /var/tmp/to_scwrl_1267435005.seq -o /var/tmp/from_scwrl_1267435005.pdb > /var/tmp/scwrl_1267435005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1267435005.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1478648717.pdb -s /var/tmp/to_scwrl_1478648717.seq -o /var/tmp/from_scwrl_1478648717.pdb > /var/tmp/scwrl_1478648717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478648717.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_588361866.pdb -s /var/tmp/to_scwrl_588361866.seq -o /var/tmp/from_scwrl_588361866.pdb > /var/tmp/scwrl_588361866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_588361866.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 9 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1935918450.pdb -s /var/tmp/to_scwrl_1935918450.seq -o /var/tmp/from_scwrl_1935918450.pdb > /var/tmp/scwrl_1935918450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1935918450.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 64 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_86237709.pdb -s /var/tmp/to_scwrl_86237709.seq -o /var/tmp/from_scwrl_86237709.pdb > /var/tmp/scwrl_86237709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86237709.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 64 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2023159935.pdb -s /var/tmp/to_scwrl_2023159935.seq -o /var/tmp/from_scwrl_2023159935.pdb > /var/tmp/scwrl_2023159935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2023159935.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 52 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_654792378.pdb -s /var/tmp/to_scwrl_654792378.seq -o /var/tmp/from_scwrl_654792378.pdb > /var/tmp/scwrl_654792378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654792378.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 T0350 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1129146542.pdb -s /var/tmp/to_scwrl_1129146542.seq -o /var/tmp/from_scwrl_1129146542.pdb > /var/tmp/scwrl_1129146542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1129146542.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 T0350 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_425507936.pdb -s /var/tmp/to_scwrl_425507936.seq -o /var/tmp/from_scwrl_425507936.pdb > /var/tmp/scwrl_425507936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425507936.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 T0350 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_494598511.pdb -s /var/tmp/to_scwrl_494598511.seq -o /var/tmp/from_scwrl_494598511.pdb > /var/tmp/scwrl_494598511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494598511.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 T0350 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1662002535.pdb -s /var/tmp/to_scwrl_1662002535.seq -o /var/tmp/from_scwrl_1662002535.pdb > /var/tmp/scwrl_1662002535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1662002535.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 T0350 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_520250342.pdb -s /var/tmp/to_scwrl_520250342.seq -o /var/tmp/from_scwrl_520250342.pdb > /var/tmp/scwrl_520250342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520250342.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 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_394574517.pdb -s /var/tmp/to_scwrl_394574517.seq -o /var/tmp/from_scwrl_394574517.pdb > /var/tmp/scwrl_394574517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394574517.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 T0350 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_153784263.pdb -s /var/tmp/to_scwrl_153784263.seq -o /var/tmp/from_scwrl_153784263.pdb > /var/tmp/scwrl_153784263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153784263.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 T0350 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_793073107.pdb -s /var/tmp/to_scwrl_793073107.seq -o /var/tmp/from_scwrl_793073107.pdb > /var/tmp/scwrl_793073107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793073107.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 T0350 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_268404009.pdb -s /var/tmp/to_scwrl_268404009.seq -o /var/tmp/from_scwrl_268404009.pdb > /var/tmp/scwrl_268404009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_268404009.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 T0350 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_774257588.pdb -s /var/tmp/to_scwrl_774257588.seq -o /var/tmp/from_scwrl_774257588.pdb > /var/tmp/scwrl_774257588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_774257588.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_689250529.pdb -s /var/tmp/to_scwrl_689250529.seq -o /var/tmp/from_scwrl_689250529.pdb > /var/tmp/scwrl_689250529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_689250529.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_561924074.pdb -s /var/tmp/to_scwrl_561924074.seq -o /var/tmp/from_scwrl_561924074.pdb > /var/tmp/scwrl_561924074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_561924074.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 106 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1054031815.pdb -s /var/tmp/to_scwrl_1054031815.seq -o /var/tmp/from_scwrl_1054031815.pdb > /var/tmp/scwrl_1054031815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1054031815.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 # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_527436212.pdb -s /var/tmp/to_scwrl_527436212.seq -o /var/tmp/from_scwrl_527436212.pdb > /var/tmp/scwrl_527436212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_527436212.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 108 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1909859480.pdb -s /var/tmp/to_scwrl_1909859480.seq -o /var/tmp/from_scwrl_1909859480.pdb > /var/tmp/scwrl_1909859480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1909859480.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 112 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_103848147.pdb -s /var/tmp/to_scwrl_103848147.seq -o /var/tmp/from_scwrl_103848147.pdb > /var/tmp/scwrl_103848147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103848147.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 60 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_150821615.pdb -s /var/tmp/to_scwrl_150821615.seq -o /var/tmp/from_scwrl_150821615.pdb > /var/tmp/scwrl_150821615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150821615.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 112 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1286630533.pdb -s /var/tmp/to_scwrl_1286630533.seq -o /var/tmp/from_scwrl_1286630533.pdb > /var/tmp/scwrl_1286630533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1286630533.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 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_360549877.pdb -s /var/tmp/to_scwrl_360549877.seq -o /var/tmp/from_scwrl_360549877.pdb > /var/tmp/scwrl_360549877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_360549877.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 109 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1787381658.pdb -s /var/tmp/to_scwrl_1787381658.seq -o /var/tmp/from_scwrl_1787381658.pdb > /var/tmp/scwrl_1787381658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1787381658.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 116 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1912877049.pdb -s /var/tmp/to_scwrl_1912877049.seq -o /var/tmp/from_scwrl_1912877049.pdb > /var/tmp/scwrl_1912877049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912877049.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 116 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_201442446.pdb -s /var/tmp/to_scwrl_201442446.seq -o /var/tmp/from_scwrl_201442446.pdb > /var/tmp/scwrl_201442446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201442446.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 116 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_514985674.pdb -s /var/tmp/to_scwrl_514985674.seq -o /var/tmp/from_scwrl_514985674.pdb > /var/tmp/scwrl_514985674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514985674.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 116 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1584664511.pdb -s /var/tmp/to_scwrl_1584664511.seq -o /var/tmp/from_scwrl_1584664511.pdb > /var/tmp/scwrl_1584664511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1584664511.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 116 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1468877451.pdb -s /var/tmp/to_scwrl_1468877451.seq -o /var/tmp/from_scwrl_1468877451.pdb > /var/tmp/scwrl_1468877451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1468877451.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 116 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1993634391.pdb -s /var/tmp/to_scwrl_1993634391.seq -o /var/tmp/from_scwrl_1993634391.pdb > /var/tmp/scwrl_1993634391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1993634391.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 T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_25542731.pdb -s /var/tmp/to_scwrl_25542731.seq -o /var/tmp/from_scwrl_25542731.pdb > /var/tmp/scwrl_25542731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25542731.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1257312254.pdb -s /var/tmp/to_scwrl_1257312254.seq -o /var/tmp/from_scwrl_1257312254.pdb > /var/tmp/scwrl_1257312254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1257312254.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2079872101.pdb -s /var/tmp/to_scwrl_2079872101.seq -o /var/tmp/from_scwrl_2079872101.pdb > /var/tmp/scwrl_2079872101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2079872101.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2048702666.pdb -s /var/tmp/to_scwrl_2048702666.seq -o /var/tmp/from_scwrl_2048702666.pdb > /var/tmp/scwrl_2048702666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048702666.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1912104633.pdb -s /var/tmp/to_scwrl_1912104633.seq -o /var/tmp/from_scwrl_1912104633.pdb > /var/tmp/scwrl_1912104633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912104633.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1061534997.pdb -s /var/tmp/to_scwrl_1061534997.seq -o /var/tmp/from_scwrl_1061534997.pdb > /var/tmp/scwrl_1061534997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061534997.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_326726955.pdb -s /var/tmp/to_scwrl_326726955.seq -o /var/tmp/from_scwrl_326726955.pdb > /var/tmp/scwrl_326726955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326726955.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 106 ; scwrl -i /var/tmp/to_scwrl_259219497.pdb -s /var/tmp/to_scwrl_259219497.seq -o /var/tmp/from_scwrl_259219497.pdb > /var/tmp/scwrl_259219497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_259219497.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 106 ; scwrl -i /var/tmp/to_scwrl_576053885.pdb -s /var/tmp/to_scwrl_576053885.seq -o /var/tmp/from_scwrl_576053885.pdb > /var/tmp/scwrl_576053885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576053885.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 106 ; scwrl -i /var/tmp/to_scwrl_846977298.pdb -s /var/tmp/to_scwrl_846977298.seq -o /var/tmp/from_scwrl_846977298.pdb > /var/tmp/scwrl_846977298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846977298.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 106 ; scwrl -i /var/tmp/to_scwrl_653794014.pdb -s /var/tmp/to_scwrl_653794014.seq -o /var/tmp/from_scwrl_653794014.pdb > /var/tmp/scwrl_653794014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653794014.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_729838148.pdb -s /var/tmp/to_scwrl_729838148.seq -o /var/tmp/from_scwrl_729838148.pdb > /var/tmp/scwrl_729838148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_729838148.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1640050404.pdb -s /var/tmp/to_scwrl_1640050404.seq -o /var/tmp/from_scwrl_1640050404.pdb > /var/tmp/scwrl_1640050404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640050404.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_922198023.pdb -s /var/tmp/to_scwrl_922198023.seq -o /var/tmp/from_scwrl_922198023.pdb > /var/tmp/scwrl_922198023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_922198023.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1504095735.pdb -s /var/tmp/to_scwrl_1504095735.seq -o /var/tmp/from_scwrl_1504095735.pdb > /var/tmp/scwrl_1504095735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504095735.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_181817286.pdb -s /var/tmp/to_scwrl_181817286.seq -o /var/tmp/from_scwrl_181817286.pdb > /var/tmp/scwrl_181817286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_181817286.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1484122097.pdb -s /var/tmp/to_scwrl_1484122097.seq -o /var/tmp/from_scwrl_1484122097.pdb > /var/tmp/scwrl_1484122097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1484122097.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 T0350 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_410643904.pdb -s /var/tmp/to_scwrl_410643904.seq -o /var/tmp/from_scwrl_410643904.pdb > /var/tmp/scwrl_410643904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410643904.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 T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_709253498.pdb -s /var/tmp/to_scwrl_709253498.seq -o /var/tmp/from_scwrl_709253498.pdb > /var/tmp/scwrl_709253498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709253498.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 T0350 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1246497930.pdb -s /var/tmp/to_scwrl_1246497930.seq -o /var/tmp/from_scwrl_1246497930.pdb > /var/tmp/scwrl_1246497930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246497930.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 T0350 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_514492051.pdb -s /var/tmp/to_scwrl_514492051.seq -o /var/tmp/from_scwrl_514492051.pdb > /var/tmp/scwrl_514492051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514492051.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 T0350 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_860075113.pdb -s /var/tmp/to_scwrl_860075113.seq -o /var/tmp/from_scwrl_860075113.pdb > /var/tmp/scwrl_860075113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_860075113.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_385644817.pdb -s /var/tmp/to_scwrl_385644817.seq -o /var/tmp/from_scwrl_385644817.pdb > /var/tmp/scwrl_385644817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385644817.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_875041929.pdb -s /var/tmp/to_scwrl_875041929.seq -o /var/tmp/from_scwrl_875041929.pdb > /var/tmp/scwrl_875041929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875041929.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_499973124.pdb -s /var/tmp/to_scwrl_499973124.seq -o /var/tmp/from_scwrl_499973124.pdb > /var/tmp/scwrl_499973124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499973124.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_151038219.pdb -s /var/tmp/to_scwrl_151038219.seq -o /var/tmp/from_scwrl_151038219.pdb > /var/tmp/scwrl_151038219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151038219.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1076484374.pdb -s /var/tmp/to_scwrl_1076484374.seq -o /var/tmp/from_scwrl_1076484374.pdb > /var/tmp/scwrl_1076484374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1076484374.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 112 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1014958799.pdb -s /var/tmp/to_scwrl_1014958799.seq -o /var/tmp/from_scwrl_1014958799.pdb > /var/tmp/scwrl_1014958799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014958799.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1735702731.pdb -s /var/tmp/to_scwrl_1735702731.seq -o /var/tmp/from_scwrl_1735702731.pdb > /var/tmp/scwrl_1735702731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1735702731.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 # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_397878180.pdb -s /var/tmp/to_scwrl_397878180.seq -o /var/tmp/from_scwrl_397878180.pdb > /var/tmp/scwrl_397878180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_397878180.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_861109543.pdb -s /var/tmp/to_scwrl_861109543.seq -o /var/tmp/from_scwrl_861109543.pdb > /var/tmp/scwrl_861109543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_861109543.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 114 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1761245462.pdb -s /var/tmp/to_scwrl_1761245462.seq -o /var/tmp/from_scwrl_1761245462.pdb > /var/tmp/scwrl_1761245462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761245462.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 86 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1655190434.pdb -s /var/tmp/to_scwrl_1655190434.seq -o /var/tmp/from_scwrl_1655190434.pdb > /var/tmp/scwrl_1655190434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1655190434.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 24 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_793497997.pdb -s /var/tmp/to_scwrl_793497997.seq -o /var/tmp/from_scwrl_793497997.pdb > /var/tmp/scwrl_793497997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793497997.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1662464481.pdb -s /var/tmp/to_scwrl_1662464481.seq -o /var/tmp/from_scwrl_1662464481.pdb > /var/tmp/scwrl_1662464481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1662464481.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 72 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1419811420.pdb -s /var/tmp/to_scwrl_1419811420.seq -o /var/tmp/from_scwrl_1419811420.pdb > /var/tmp/scwrl_1419811420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419811420.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 60 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1855032993.pdb -s /var/tmp/to_scwrl_1855032993.seq -o /var/tmp/from_scwrl_1855032993.pdb > /var/tmp/scwrl_1855032993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1855032993.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 107 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1989191436.pdb -s /var/tmp/to_scwrl_1989191436.seq -o /var/tmp/from_scwrl_1989191436.pdb > /var/tmp/scwrl_1989191436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1989191436.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 115 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1679030917.pdb -s /var/tmp/to_scwrl_1679030917.seq -o /var/tmp/from_scwrl_1679030917.pdb > /var/tmp/scwrl_1679030917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1679030917.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 108 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_283603231.pdb -s /var/tmp/to_scwrl_283603231.seq -o /var/tmp/from_scwrl_283603231.pdb > /var/tmp/scwrl_283603231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283603231.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_688685087.pdb -s /var/tmp/to_scwrl_688685087.seq -o /var/tmp/from_scwrl_688685087.pdb > /var/tmp/scwrl_688685087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_688685087.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 111 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_185341285.pdb -s /var/tmp/to_scwrl_185341285.seq -o /var/tmp/from_scwrl_185341285.pdb > /var/tmp/scwrl_185341285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_185341285.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 87 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1013441380.pdb -s /var/tmp/to_scwrl_1013441380.seq -o /var/tmp/from_scwrl_1013441380.pdb > /var/tmp/scwrl_1013441380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013441380.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 98 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_181251844.pdb -s /var/tmp/to_scwrl_181251844.seq -o /var/tmp/from_scwrl_181251844.pdb > /var/tmp/scwrl_181251844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_181251844.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 109 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1107539307.pdb -s /var/tmp/to_scwrl_1107539307.seq -o /var/tmp/from_scwrl_1107539307.pdb > /var/tmp/scwrl_1107539307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107539307.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 84 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_370053468.pdb -s /var/tmp/to_scwrl_370053468.seq -o /var/tmp/from_scwrl_370053468.pdb > /var/tmp/scwrl_370053468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_370053468.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_363069130.pdb -s /var/tmp/to_scwrl_363069130.seq -o /var/tmp/from_scwrl_363069130.pdb > /var/tmp/scwrl_363069130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363069130.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 103 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_444177758.pdb -s /var/tmp/to_scwrl_444177758.seq -o /var/tmp/from_scwrl_444177758.pdb > /var/tmp/scwrl_444177758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_444177758.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_780697372.pdb -s /var/tmp/to_scwrl_780697372.seq -o /var/tmp/from_scwrl_780697372.pdb > /var/tmp/scwrl_780697372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_780697372.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 108 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1072322628.pdb -s /var/tmp/to_scwrl_1072322628.seq -o /var/tmp/from_scwrl_1072322628.pdb > /var/tmp/scwrl_1072322628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072322628.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 109 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1690675689.pdb -s /var/tmp/to_scwrl_1690675689.seq -o /var/tmp/from_scwrl_1690675689.pdb > /var/tmp/scwrl_1690675689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690675689.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 102 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1295189423.pdb -s /var/tmp/to_scwrl_1295189423.seq -o /var/tmp/from_scwrl_1295189423.pdb > /var/tmp/scwrl_1295189423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1295189423.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1932397740.pdb -s /var/tmp/to_scwrl_1932397740.seq -o /var/tmp/from_scwrl_1932397740.pdb > /var/tmp/scwrl_1932397740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932397740.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2076320506.pdb -s /var/tmp/to_scwrl_2076320506.seq -o /var/tmp/from_scwrl_2076320506.pdb > /var/tmp/scwrl_2076320506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076320506.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_22747705.pdb -s /var/tmp/to_scwrl_22747705.seq -o /var/tmp/from_scwrl_22747705.pdb > /var/tmp/scwrl_22747705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_22747705.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_284887218.pdb -s /var/tmp/to_scwrl_284887218.seq -o /var/tmp/from_scwrl_284887218.pdb > /var/tmp/scwrl_284887218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284887218.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_79875079.pdb -s /var/tmp/to_scwrl_79875079.seq -o /var/tmp/from_scwrl_79875079.pdb > /var/tmp/scwrl_79875079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_79875079.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 T0350 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1099232079.pdb -s /var/tmp/to_scwrl_1099232079.seq -o /var/tmp/from_scwrl_1099232079.pdb > /var/tmp/scwrl_1099232079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1099232079.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 T0350 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1299846016.pdb -s /var/tmp/to_scwrl_1299846016.seq -o /var/tmp/from_scwrl_1299846016.pdb > /var/tmp/scwrl_1299846016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1299846016.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 T0350 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1815577810.pdb -s /var/tmp/to_scwrl_1815577810.seq -o /var/tmp/from_scwrl_1815577810.pdb > /var/tmp/scwrl_1815577810.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1815577810.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 T0350 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1497110259.pdb -s /var/tmp/to_scwrl_1497110259.seq -o /var/tmp/from_scwrl_1497110259.pdb > /var/tmp/scwrl_1497110259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1497110259.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 T0350 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_13471912.pdb -s /var/tmp/to_scwrl_13471912.seq -o /var/tmp/from_scwrl_13471912.pdb > /var/tmp/scwrl_13471912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13471912.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1429339625.pdb -s /var/tmp/to_scwrl_1429339625.seq -o /var/tmp/from_scwrl_1429339625.pdb > /var/tmp/scwrl_1429339625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429339625.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 T0350 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1004817048.pdb -s /var/tmp/to_scwrl_1004817048.seq -o /var/tmp/from_scwrl_1004817048.pdb > /var/tmp/scwrl_1004817048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1004817048.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 T0350 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_806969910.pdb -s /var/tmp/to_scwrl_806969910.seq -o /var/tmp/from_scwrl_806969910.pdb > /var/tmp/scwrl_806969910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806969910.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 T0350 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_944320460.pdb -s /var/tmp/to_scwrl_944320460.seq -o /var/tmp/from_scwrl_944320460.pdb > /var/tmp/scwrl_944320460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_944320460.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 T0350 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_277144821.pdb -s /var/tmp/to_scwrl_277144821.seq -o /var/tmp/from_scwrl_277144821.pdb > /var/tmp/scwrl_277144821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277144821.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 106 ; scwrl -i /var/tmp/to_scwrl_514519256.pdb -s /var/tmp/to_scwrl_514519256.seq -o /var/tmp/from_scwrl_514519256.pdb > /var/tmp/scwrl_514519256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514519256.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 70 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_786028249.pdb -s /var/tmp/to_scwrl_786028249.seq -o /var/tmp/from_scwrl_786028249.pdb > /var/tmp/scwrl_786028249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786028249.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 92 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1956175739.pdb -s /var/tmp/to_scwrl_1956175739.seq -o /var/tmp/from_scwrl_1956175739.pdb > /var/tmp/scwrl_1956175739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956175739.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 96 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_798122488.pdb -s /var/tmp/to_scwrl_798122488.seq -o /var/tmp/from_scwrl_798122488.pdb > /var/tmp/scwrl_798122488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_798122488.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 86 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1474713336.pdb -s /var/tmp/to_scwrl_1474713336.seq -o /var/tmp/from_scwrl_1474713336.pdb > /var/tmp/scwrl_1474713336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1474713336.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 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2141517024.pdb -s /var/tmp/to_scwrl_2141517024.seq -o /var/tmp/from_scwrl_2141517024.pdb > /var/tmp/scwrl_2141517024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2141517024.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1811563867.pdb -s /var/tmp/to_scwrl_1811563867.seq -o /var/tmp/from_scwrl_1811563867.pdb > /var/tmp/scwrl_1811563867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1811563867.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 87 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1655965180.pdb -s /var/tmp/to_scwrl_1655965180.seq -o /var/tmp/from_scwrl_1655965180.pdb > /var/tmp/scwrl_1655965180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1655965180.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 29 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1101572684.pdb -s /var/tmp/to_scwrl_1101572684.seq -o /var/tmp/from_scwrl_1101572684.pdb > /var/tmp/scwrl_1101572684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101572684.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 74 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_34133688.pdb -s /var/tmp/to_scwrl_34133688.seq -o /var/tmp/from_scwrl_34133688.pdb > /var/tmp/scwrl_34133688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34133688.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2019034311.pdb -s /var/tmp/to_scwrl_2019034311.seq -o /var/tmp/from_scwrl_2019034311.pdb > /var/tmp/scwrl_2019034311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2019034311.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 # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1545750443.pdb -s /var/tmp/to_scwrl_1545750443.seq -o /var/tmp/from_scwrl_1545750443.pdb > /var/tmp/scwrl_1545750443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1545750443.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 83 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_814831061.pdb -s /var/tmp/to_scwrl_814831061.seq -o /var/tmp/from_scwrl_814831061.pdb > /var/tmp/scwrl_814831061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814831061.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 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_943873292.pdb -s /var/tmp/to_scwrl_943873292.seq -o /var/tmp/from_scwrl_943873292.pdb > /var/tmp/scwrl_943873292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_943873292.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 85 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1088942485.pdb -s /var/tmp/to_scwrl_1088942485.seq -o /var/tmp/from_scwrl_1088942485.pdb > /var/tmp/scwrl_1088942485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1088942485.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 T0350 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2110020484.pdb -s /var/tmp/to_scwrl_2110020484.seq -o /var/tmp/from_scwrl_2110020484.pdb > /var/tmp/scwrl_2110020484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110020484.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 T0350 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_728787386.pdb -s /var/tmp/to_scwrl_728787386.seq -o /var/tmp/from_scwrl_728787386.pdb > /var/tmp/scwrl_728787386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728787386.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 T0350 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1017779345.pdb -s /var/tmp/to_scwrl_1017779345.seq -o /var/tmp/from_scwrl_1017779345.pdb > /var/tmp/scwrl_1017779345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017779345.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 T0350 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2132768189.pdb -s /var/tmp/to_scwrl_2132768189.seq -o /var/tmp/from_scwrl_2132768189.pdb > /var/tmp/scwrl_2132768189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2132768189.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 T0350 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1013674604.pdb -s /var/tmp/to_scwrl_1013674604.seq -o /var/tmp/from_scwrl_1013674604.pdb > /var/tmp/scwrl_1013674604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013674604.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 T0350 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1097654423.pdb -s /var/tmp/to_scwrl_1097654423.seq -o /var/tmp/from_scwrl_1097654423.pdb > /var/tmp/scwrl_1097654423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097654423.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 T0350 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1084516621.pdb -s /var/tmp/to_scwrl_1084516621.seq -o /var/tmp/from_scwrl_1084516621.pdb > /var/tmp/scwrl_1084516621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1084516621.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 T0350 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_166036973.pdb -s /var/tmp/to_scwrl_166036973.seq -o /var/tmp/from_scwrl_166036973.pdb > /var/tmp/scwrl_166036973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166036973.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 T0350 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_765748587.pdb -s /var/tmp/to_scwrl_765748587.seq -o /var/tmp/from_scwrl_765748587.pdb > /var/tmp/scwrl_765748587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_765748587.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 T0350 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_434143235.pdb -s /var/tmp/to_scwrl_434143235.seq -o /var/tmp/from_scwrl_434143235.pdb > /var/tmp/scwrl_434143235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434143235.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_179508885.pdb -s /var/tmp/to_scwrl_179508885.seq -o /var/tmp/from_scwrl_179508885.pdb > /var/tmp/scwrl_179508885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_179508885.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 97 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_47604565.pdb -s /var/tmp/to_scwrl_47604565.seq -o /var/tmp/from_scwrl_47604565.pdb > /var/tmp/scwrl_47604565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47604565.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1438960282.pdb -s /var/tmp/to_scwrl_1438960282.seq -o /var/tmp/from_scwrl_1438960282.pdb > /var/tmp/scwrl_1438960282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1438960282.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 112 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_986478795.pdb -s /var/tmp/to_scwrl_986478795.seq -o /var/tmp/from_scwrl_986478795.pdb > /var/tmp/scwrl_986478795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_986478795.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 92 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_991925025.pdb -s /var/tmp/to_scwrl_991925025.seq -o /var/tmp/from_scwrl_991925025.pdb > /var/tmp/scwrl_991925025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_991925025.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 T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1716105103.pdb -s /var/tmp/to_scwrl_1716105103.seq -o /var/tmp/from_scwrl_1716105103.pdb > /var/tmp/scwrl_1716105103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716105103.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 T0350 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1500998051.pdb -s /var/tmp/to_scwrl_1500998051.seq -o /var/tmp/from_scwrl_1500998051.pdb > /var/tmp/scwrl_1500998051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500998051.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 T0350 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1777953274.pdb -s /var/tmp/to_scwrl_1777953274.seq -o /var/tmp/from_scwrl_1777953274.pdb > /var/tmp/scwrl_1777953274.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777953274.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 T0350 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1524797195.pdb -s /var/tmp/to_scwrl_1524797195.seq -o /var/tmp/from_scwrl_1524797195.pdb > /var/tmp/scwrl_1524797195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524797195.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 T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_151636892.pdb -s /var/tmp/to_scwrl_151636892.seq -o /var/tmp/from_scwrl_151636892.pdb > /var/tmp/scwrl_151636892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151636892.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1105182963.pdb -s /var/tmp/to_scwrl_1105182963.seq -o /var/tmp/from_scwrl_1105182963.pdb > /var/tmp/scwrl_1105182963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1105182963.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1518830572.pdb -s /var/tmp/to_scwrl_1518830572.seq -o /var/tmp/from_scwrl_1518830572.pdb > /var/tmp/scwrl_1518830572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1518830572.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 101 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1963200759.pdb -s /var/tmp/to_scwrl_1963200759.seq -o /var/tmp/from_scwrl_1963200759.pdb > /var/tmp/scwrl_1963200759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1963200759.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 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_613664497.pdb -s /var/tmp/to_scwrl_613664497.seq -o /var/tmp/from_scwrl_613664497.pdb > /var/tmp/scwrl_613664497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613664497.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 114 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_472919611.pdb -s /var/tmp/to_scwrl_472919611.seq -o /var/tmp/from_scwrl_472919611.pdb > /var/tmp/scwrl_472919611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_472919611.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 89 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1997334447.pdb -s /var/tmp/to_scwrl_1997334447.seq -o /var/tmp/from_scwrl_1997334447.pdb > /var/tmp/scwrl_1997334447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997334447.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 81 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_485215161.pdb -s /var/tmp/to_scwrl_485215161.seq -o /var/tmp/from_scwrl_485215161.pdb > /var/tmp/scwrl_485215161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_485215161.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 114 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2018670054.pdb -s /var/tmp/to_scwrl_2018670054.seq -o /var/tmp/from_scwrl_2018670054.pdb > /var/tmp/scwrl_2018670054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2018670054.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 114 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_664681861.pdb -s /var/tmp/to_scwrl_664681861.seq -o /var/tmp/from_scwrl_664681861.pdb > /var/tmp/scwrl_664681861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_664681861.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1429088453.pdb -s /var/tmp/to_scwrl_1429088453.seq -o /var/tmp/from_scwrl_1429088453.pdb > /var/tmp/scwrl_1429088453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429088453.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 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_960128893.pdb -s /var/tmp/to_scwrl_960128893.seq -o /var/tmp/from_scwrl_960128893.pdb > /var/tmp/scwrl_960128893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_960128893.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 114 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_627218698.pdb -s /var/tmp/to_scwrl_627218698.seq -o /var/tmp/from_scwrl_627218698.pdb > /var/tmp/scwrl_627218698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_627218698.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 T0350 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_10392192.pdb -s /var/tmp/to_scwrl_10392192.seq -o /var/tmp/from_scwrl_10392192.pdb > /var/tmp/scwrl_10392192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10392192.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 T0350 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1977908237.pdb -s /var/tmp/to_scwrl_1977908237.seq -o /var/tmp/from_scwrl_1977908237.pdb > /var/tmp/scwrl_1977908237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1977908237.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 T0350 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_612503240.pdb -s /var/tmp/to_scwrl_612503240.seq -o /var/tmp/from_scwrl_612503240.pdb > /var/tmp/scwrl_612503240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612503240.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1024066796.pdb -s /var/tmp/to_scwrl_1024066796.seq -o /var/tmp/from_scwrl_1024066796.pdb > /var/tmp/scwrl_1024066796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1024066796.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_928079015.pdb -s /var/tmp/to_scwrl_928079015.seq -o /var/tmp/from_scwrl_928079015.pdb > /var/tmp/scwrl_928079015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928079015.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1697019862.pdb -s /var/tmp/to_scwrl_1697019862.seq -o /var/tmp/from_scwrl_1697019862.pdb > /var/tmp/scwrl_1697019862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697019862.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1190103768.pdb -s /var/tmp/to_scwrl_1190103768.seq -o /var/tmp/from_scwrl_1190103768.pdb > /var/tmp/scwrl_1190103768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1190103768.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1693827601.pdb -s /var/tmp/to_scwrl_1693827601.seq -o /var/tmp/from_scwrl_1693827601.pdb > /var/tmp/scwrl_1693827601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1693827601.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_2131163097.pdb -s /var/tmp/to_scwrl_2131163097.seq -o /var/tmp/from_scwrl_2131163097.pdb > /var/tmp/scwrl_2131163097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131163097.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1369612653.pdb -s /var/tmp/to_scwrl_1369612653.seq -o /var/tmp/from_scwrl_1369612653.pdb > /var/tmp/scwrl_1369612653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1369612653.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 T0350 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1741432167.pdb -s /var/tmp/to_scwrl_1741432167.seq -o /var/tmp/from_scwrl_1741432167.pdb > /var/tmp/scwrl_1741432167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741432167.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 T0350 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1422639732.pdb -s /var/tmp/to_scwrl_1422639732.seq -o /var/tmp/from_scwrl_1422639732.pdb > /var/tmp/scwrl_1422639732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1422639732.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 T0350 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_208607802.pdb -s /var/tmp/to_scwrl_208607802.seq -o /var/tmp/from_scwrl_208607802.pdb > /var/tmp/scwrl_208607802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_208607802.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 T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_585873545.pdb -s /var/tmp/to_scwrl_585873545.seq -o /var/tmp/from_scwrl_585873545.pdb > /var/tmp/scwrl_585873545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585873545.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_991261189.pdb -s /var/tmp/to_scwrl_991261189.seq -o /var/tmp/from_scwrl_991261189.pdb > /var/tmp/scwrl_991261189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_991261189.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 T0350 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1709605853.pdb -s /var/tmp/to_scwrl_1709605853.seq -o /var/tmp/from_scwrl_1709605853.pdb > /var/tmp/scwrl_1709605853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1709605853.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 T0350 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_216343172.pdb -s /var/tmp/to_scwrl_216343172.seq -o /var/tmp/from_scwrl_216343172.pdb > /var/tmp/scwrl_216343172.log Error: can't open any of /var/tmp/from_scwrl_216343172.pdb or /var/tmp/from_scwrl_216343172_b.pdb or /var/tmp/from_scwrl_216343172_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_368574738.pdb -s /var/tmp/to_scwrl_368574738.seq -o /var/tmp/from_scwrl_368574738.pdb > /var/tmp/scwrl_368574738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_368574738.pdb # conformation set from SCWRL output # naming current conformation panther3_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0350 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 106 ; scwrl -i /var/tmp/to_scwrl_1861242745.pdb -s /var/tmp/to_scwrl_1861242745.seq -o /var/tmp/from_scwrl_1861242745.pdb > /var/tmp/scwrl_1861242745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1861242745.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 30.782 sec, elapsed time= 612.824 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 792.512 real_cost = 318.707 shub_TS1 costs 767.918 real_cost = 321.248 panther3_TS1-scwrl costs 1070.487 real_cost = 482.550 panther3_TS1 costs 1065.614 real_cost = 473.472 panther2_TS1-scwrl costs 970.097 real_cost = 388.806 nFOLD_TS5-scwrl costs 647.471 real_cost = 366.021 nFOLD_TS5 costs 36497.657 real_cost = 425.393 nFOLD_TS4-scwrl costs 942.842 real_cost = 390.007 nFOLD_TS4 costs 17699.930 real_cost = 390.007 nFOLD_TS3-scwrl costs 469.873 real_cost = 289.393 nFOLD_TS3 costs 15938.429 real_cost = 364.358 nFOLD_TS2-scwrl costs 518.596 real_cost = 305.203 nFOLD_TS2 costs 19909.318 real_cost = 364.040 nFOLD_TS1-scwrl costs 585.478 real_cost = 351.404 nFOLD_TS1 costs 14161.734 real_cost = 399.245 mGen-3D_TS1-scwrl costs 592.992 real_cost = 293.074 mGen-3D_TS1 costs 12974.428 real_cost = 351.120 keasar-server_TS5-scwrl costs 585.433 real_cost = 284.857 keasar-server_TS5 costs 578.926 real_cost = 285.340 keasar-server_TS4-scwrl costs 861.189 real_cost = 426.348 keasar-server_TS4 costs 854.002 real_cost = 424.300 keasar-server_TS3-scwrl costs 604.360 real_cost = 256.534 keasar-server_TS3 costs 600.799 real_cost = 275.811 keasar-server_TS2-scwrl costs 576.293 real_cost = 291.449 keasar-server_TS2 costs 571.070 real_cost = 293.511 keasar-server_TS1-scwrl costs 577.925 real_cost = 271.911 keasar-server_TS1 costs 570.430 real_cost = 281.448 karypis.srv_TS5-scwrl costs 801.951 real_cost = 260.088 karypis.srv_TS5 costs 793.308 real_cost = 255.821 karypis.srv_TS4-scwrl costs 622.752 real_cost = 253.722 karypis.srv_TS4 costs 614.107 real_cost = 251.424 karypis.srv_TS3-scwrl costs 638.476 real_cost = 259.303 karypis.srv_TS3 costs 632.160 real_cost = 257.228 karypis.srv_TS2-scwrl costs 672.066 real_cost = 236.134 karypis.srv_TS2 costs 657.399 real_cost = 234.190 karypis.srv_TS1-scwrl costs 541.243 real_cost = 240.464 karypis.srv_TS1 costs 536.944 real_cost = 236.967 karypis.srv.4_TS5-scwrl costs 521.607 real_cost = 331.135 karypis.srv.4_TS5 costs 518.067 real_cost = 331.124 karypis.srv.4_TS4-scwrl costs 521.544 real_cost = 326.117 karypis.srv.4_TS4 costs 523.405 real_cost = 326.023 karypis.srv.4_TS3-scwrl costs 533.261 real_cost = 298.063 karypis.srv.4_TS3 costs 533.664 real_cost = 298.325 karypis.srv.4_TS2-scwrl costs 518.984 real_cost = 302.767 karypis.srv.4_TS2 costs 518.984 real_cost = 302.767 karypis.srv.4_TS1-scwrl costs 518.867 real_cost = 302.794 karypis.srv.4_TS1 costs 518.867 real_cost = 302.794 karypis.srv.2_TS5-scwrl costs 540.145 real_cost = 348.667 karypis.srv.2_TS5 costs 540.145 real_cost = 348.667 karypis.srv.2_TS4-scwrl costs 452.890 real_cost = 282.918 karypis.srv.2_TS4 costs 452.890 real_cost = 282.918 karypis.srv.2_TS3-scwrl costs 452.815 real_cost = 303.807 karypis.srv.2_TS3 costs 452.815 real_cost = 303.807 karypis.srv.2_TS2-scwrl costs 464.390 real_cost = 286.616 karypis.srv.2_TS2 costs 464.390 real_cost = 286.616 karypis.srv.2_TS1-scwrl costs 460.402 real_cost = 240.071 karypis.srv.2_TS1 costs 461.922 real_cost = 244.297 forecast-s_AL5-scwrl costs 838.089 real_cost = 335.309 forecast-s_AL5 costs 61555.957 real_cost = 369.221 forecast-s_AL4-scwrl costs 630.369 real_cost = 371.196 forecast-s_AL4 costs 207393.556 real_cost = 471.506 forecast-s_AL3-scwrl costs 1120.236 real_cost = 342.807 forecast-s_AL3 costs 15031.551 real_cost = 342.807 forecast-s_AL2-scwrl costs 840.289 real_cost = 357.011 forecast-s_AL2 costs 14867.728 real_cost = 393.291 forecast-s_AL1-scwrl costs 869.793 real_cost = 348.782 forecast-s_AL1 costs 61795.448 real_cost = 400.253 beautshotbase_TS1-scwrl costs 590.698 real_cost = 290.681 beautshotbase_TS1 costs 566.066 real_cost = 293.376 beautshot_TS1-scwrl costs 562.911 real_cost = 246.373 beautshot_TS1 costs 547.839 real_cost = 253.851 Zhang-Server_TS5-scwrl costs 539.625 real_cost = 212.796 Zhang-Server_TS5 costs 556.445 real_cost = 217.483 Zhang-Server_TS4-scwrl costs 492.838 real_cost = 170.327 Zhang-Server_TS4 costs 510.873 real_cost = 179.022 Zhang-Server_TS3-scwrl costs 486.872 real_cost = 175.690 Zhang-Server_TS3 costs 482.710 real_cost = 179.747 Zhang-Server_TS2-scwrl costs 503.693 real_cost = 230.247 Zhang-Server_TS2 costs 483.871 real_cost = 234.699 Zhang-Server_TS1-scwrl costs 493.373 real_cost = 130.126 Zhang-Server_TS1 costs 486.172 real_cost = 138.940 UNI-EID_sfst_AL4-scwrl costs 884.614 real_cost = 394.510 UNI-EID_sfst_AL4 costs 14325.192 real_cost = 432.715 UNI-EID_sfst_AL3-scwrl costs 908.826 real_cost = 378.662 UNI-EID_sfst_AL3 costs 16392.246 real_cost = 419.722 UNI-EID_sfst_AL2-scwrl costs 791.091 real_cost = 353.806 UNI-EID_sfst_AL2 costs 27816.346 real_cost = 405.318 UNI-EID_sfst_AL1-scwrl costs 815.539 real_cost = 311.754 UNI-EID_sfst_AL1 costs 15446.662 real_cost = 366.923 UNI-EID_expm_TS1-scwrl costs 730.556 real_cost = 319.694 UNI-EID_expm_TS1 costs 11486.075 real_cost = 377.556 UNI-EID_bnmx_TS5-scwrl costs 784.074 real_cost = 347.043 UNI-EID_bnmx_TS5 costs 19617.837 real_cost = 412.428 UNI-EID_bnmx_TS4-scwrl costs 828.149 real_cost = 376.254 UNI-EID_bnmx_TS4 costs 15784.326 real_cost = 425.122 UNI-EID_bnmx_TS3-scwrl costs 780.805 real_cost = 352.610 UNI-EID_bnmx_TS3 costs 17241.484 real_cost = 415.320 UNI-EID_bnmx_TS2-scwrl costs 1080.579 real_cost = 463.670 UNI-EID_bnmx_TS2 costs 1528.739 real_cost = 479.652 UNI-EID_bnmx_TS1-scwrl costs 653.869 real_cost = 307.580 UNI-EID_bnmx_TS1 costs 29291.447 real_cost = 381.791 SPARKS2_TS5-scwrl costs 399.833 real_cost = 280.977 SPARKS2_TS5 costs 410.199 real_cost = 277.966 SPARKS2_TS4-scwrl costs 400.437 real_cost = 205.976 SPARKS2_TS4 costs 408.291 real_cost = 207.359 SPARKS2_TS3-scwrl costs 397.224 real_cost = 223.435 SPARKS2_TS3 costs 410.216 real_cost = 223.631 SPARKS2_TS2-scwrl costs 436.545 real_cost = 285.685 SPARKS2_TS2 costs 439.707 real_cost = 289.214 SPARKS2_TS1-scwrl costs 413.630 real_cost = 260.824 SPARKS2_TS1 costs 421.502 real_cost = 261.141 SP4_TS5-scwrl costs 423.058 real_cost = 175.500 SP4_TS5 costs 425.088 real_cost = 184.264 SP4_TS4-scwrl costs 434.526 real_cost = 244.012 SP4_TS4 costs 444.070 real_cost = 245.225 SP4_TS3-scwrl costs 456.150 real_cost = 223.325 SP4_TS3 costs 467.676 real_cost = 236.816 SP4_TS2-scwrl costs 429.034 real_cost = 243.110 SP4_TS2 costs 432.721 real_cost = 243.717 SP4_TS1-scwrl costs 455.069 real_cost = 235.015 SP4_TS1 costs 467.689 real_cost = 233.044 SP3_TS5-scwrl costs 410.143 real_cost = 231.248 SP3_TS5 costs 423.897 real_cost = 227.363 SP3_TS4-scwrl costs 437.788 real_cost = 217.576 SP3_TS4 costs 433.776 real_cost = 228.860 SP3_TS3-scwrl costs 400.437 real_cost = 205.976 SP3_TS3 costs 408.291 real_cost = 207.359 SP3_TS2-scwrl costs 418.074 real_cost = 230.200 SP3_TS2 costs 421.463 real_cost = 234.171 SP3_TS1-scwrl costs 436.545 real_cost = 285.685 SP3_TS1 costs 439.707 real_cost = 289.214 SAM_T06_server_TS5-scwrl costs 911.445 real_cost = 343.656 SAM_T06_server_TS5 costs 865.360 real_cost = 328.160 SAM_T06_server_TS4-scwrl costs 917.327 real_cost = 324.657 SAM_T06_server_TS4 costs 848.206 real_cost = 319.715 SAM_T06_server_TS3-scwrl costs 908.948 real_cost = 306.762 SAM_T06_server_TS3 costs 867.314 real_cost = 297.357 SAM_T06_server_TS2-scwrl costs 991.890 real_cost = 288.857 SAM_T06_server_TS2 costs 945.772 real_cost = 275.747 SAM_T06_server_TS1-scwrl costs 334.983 real_cost = 172.907 SAM_T06_server_TS1 costs 328.516 real_cost = 172.073 SAM-T02_AL5-scwrl costs 901.443 real_cost = 388.913 SAM-T02_AL5 costs 3646.664 real_cost = 422.311 SAM-T02_AL4-scwrl costs 909.897 real_cost = 391.186 SAM-T02_AL4 costs 1987.075 real_cost = 429.495 SAM-T02_AL3-scwrl costs 950.636 real_cost = 328.206 SAM-T02_AL3 costs 3822.048 real_cost = 365.840 SAM-T02_AL2-scwrl costs 1125.599 real_cost = 281.508 SAM-T02_AL2 costs 1663.830 real_cost = 284.795 SAM-T02_AL1-scwrl costs 958.523 real_cost = 330.338 SAM-T02_AL1 costs 3437.246 real_cost = 350.156 ROKKY_TS5-scwrl costs 396.874 real_cost = 148.556 ROKKY_TS5 costs 6417.869 real_cost = 255.696 ROKKY_TS4-scwrl costs 387.624 real_cost = 222.443 ROKKY_TS4 costs 8122.956 real_cost = 325.640 ROKKY_TS3-scwrl costs 365.366 real_cost = 199.448 ROKKY_TS3 costs 10357.002 real_cost = 302.976 ROKKY_TS2-scwrl costs 384.101 real_cost = 157.793 ROKKY_TS2 costs 6282.062 real_cost = 255.875 ROKKY_TS1-scwrl costs 372.120 real_cost = 135.840 ROKKY_TS1 costs 7850.068 real_cost = 236.387 ROBETTA_TS5-scwrl costs 405.708 real_cost = 191.740 ROBETTA_TS5 costs 404.144 real_cost = 187.470 ROBETTA_TS4-scwrl costs 381.784 real_cost = 170.058 ROBETTA_TS4 costs 379.155 real_cost = 170.754 ROBETTA_TS3-scwrl costs 435.720 real_cost = 197.500 ROBETTA_TS3 costs 431.443 real_cost = 202.476 ROBETTA_TS2-scwrl costs 347.366 real_cost = 46.950 ROBETTA_TS2 costs 341.916 real_cost = 50.572 ROBETTA_TS1-scwrl costs 414.321 real_cost = 179.651 ROBETTA_TS1 costs 411.813 real_cost = 179.874 RAPTOR_TS5-scwrl costs 481.229 real_cost = 232.379 RAPTOR_TS5 costs 486.611 real_cost = 232.414 RAPTOR_TS4-scwrl costs 428.016 real_cost = 230.965 RAPTOR_TS4 costs 441.157 real_cost = 229.238 RAPTOR_TS3-scwrl costs 477.947 real_cost = 302.498 RAPTOR_TS3 costs 470.981 real_cost = 301.659 RAPTOR_TS2-scwrl costs 413.747 real_cost = 232.681 RAPTOR_TS2 costs 427.087 real_cost = 244.460 RAPTOR_TS1-scwrl costs 417.378 real_cost = 225.933 RAPTOR_TS1 costs 422.774 real_cost = 235.094 RAPTORESS_TS5-scwrl costs 464.880 real_cost = 242.786 RAPTORESS_TS5 costs 476.793 real_cost = 251.992 RAPTORESS_TS4-scwrl costs 458.931 real_cost = 244.028 RAPTORESS_TS4 costs 474.275 real_cost = 253.527 RAPTORESS_TS3-scwrl costs 435.949 real_cost = 297.787 RAPTORESS_TS3 costs 438.589 real_cost = 304.095 RAPTORESS_TS2-scwrl costs 395.904 real_cost = 233.027 RAPTORESS_TS2 costs 404.275 real_cost = 241.014 RAPTORESS_TS1-scwrl costs 415.037 real_cost = 222.502 RAPTORESS_TS1 costs 417.819 real_cost = 228.525 RAPTOR-ACE_TS5-scwrl costs 573.820 real_cost = 318.788 RAPTOR-ACE_TS5 costs 586.955 real_cost = 332.189 RAPTOR-ACE_TS4-scwrl costs 454.206 real_cost = 217.118 RAPTOR-ACE_TS4 costs 448.803 real_cost = 220.065 RAPTOR-ACE_TS3-scwrl costs 456.866 real_cost = 225.098 RAPTOR-ACE_TS3 costs 473.855 real_cost = 234.227 RAPTOR-ACE_TS2-scwrl costs 403.954 real_cost = 276.767 RAPTOR-ACE_TS2 costs 416.682 real_cost = 284.752 RAPTOR-ACE_TS1-scwrl costs 420.474 real_cost = 245.069 RAPTOR-ACE_TS1 costs 432.092 real_cost = 249.805 Pmodeller6_TS5-scwrl costs 418.475 real_cost = 223.075 Pmodeller6_TS5 costs 410.013 real_cost = 225.932 Pmodeller6_TS4-scwrl costs 348.817 real_cost = 139.889 Pmodeller6_TS4 costs 346.731 real_cost = 143.578 Pmodeller6_TS3-scwrl costs 346.137 real_cost = 121.704 Pmodeller6_TS3 costs 340.033 real_cost = 122.208 Pmodeller6_TS2-scwrl costs 347.366 real_cost = 46.950 Pmodeller6_TS2 costs 341.916 real_cost = 50.572 Pmodeller6_TS1-scwrl costs 357.121 real_cost = 132.428 Pmodeller6_TS1 costs 351.189 real_cost = 130.764 Phyre-2_TS5-scwrl costs 455.879 real_cost = 287.725 Phyre-2_TS5 costs 495.295 real_cost = 288.895 Phyre-2_TS4-scwrl costs 462.118 real_cost = 272.120 Phyre-2_TS4 costs 501.629 real_cost = 267.102 Phyre-2_TS3-scwrl costs 416.400 real_cost = 219.493 Phyre-2_TS3 costs 456.265 real_cost = 225.509 Phyre-2_TS2-scwrl costs 415.556 real_cost = 194.591 Phyre-2_TS2 costs 446.165 real_cost = 191.085 Phyre-2_TS1-scwrl costs 406.598 real_cost = 205.967 Phyre-2_TS1 costs 434.989 real_cost = 204.943 Phyre-1_TS1-scwrl costs 766.552 real_cost = 301.948 Phyre-1_TS1 costs 751.709 real_cost = 304.258 Pcons6_TS5-scwrl costs 746.554 real_cost = 257.942 Pcons6_TS5 costs 733.413 real_cost = 256.949 Pcons6_TS4-scwrl costs 493.342 real_cost = 234.045 Pcons6_TS4 costs 480.278 real_cost = 230.403 Pcons6_TS3-scwrl costs 471.890 real_cost = 224.018 Pcons6_TS3 costs 471.340 real_cost = 223.673 Pcons6_TS2-scwrl costs 664.482 real_cost = 254.850 Pcons6_TS2 costs 649.082 real_cost = 256.164 Pcons6_TS1-scwrl costs 418.475 real_cost = 223.075 Pcons6_TS1 costs 410.013 real_cost = 225.932 PROTINFO_TS5-scwrl costs 363.652 real_cost = 181.294 PROTINFO_TS5 costs 380.244 real_cost = 180.576 PROTINFO_TS4-scwrl costs 364.862 real_cost = 164.426 PROTINFO_TS4 costs 381.991 real_cost = 167.979 PROTINFO_TS3-scwrl costs 455.005 real_cost = 200.786 PROTINFO_TS3 costs 456.420 real_cost = 200.384 PROTINFO_TS2-scwrl costs 490.721 real_cost = 249.313 PROTINFO_TS2 costs 484.857 real_cost = 249.460 PROTINFO_TS1-scwrl costs 681.145 real_cost = 240.952 PROTINFO_TS1 costs 670.421 real_cost = 240.068 PROTINFO-AB_TS5-scwrl costs 367.409 real_cost = 178.474 PROTINFO-AB_TS5 costs 391.689 real_cost = 183.013 PROTINFO-AB_TS4-scwrl costs 370.010 real_cost = 171.473 PROTINFO-AB_TS4 costs 393.573 real_cost = 175.788 PROTINFO-AB_TS3-scwrl costs 366.836 real_cost = 191.637 PROTINFO-AB_TS3 costs 393.284 real_cost = 192.789 PROTINFO-AB_TS2-scwrl costs 368.309 real_cost = 176.967 PROTINFO-AB_TS2 costs 390.234 real_cost = 181.135 PROTINFO-AB_TS1-scwrl costs 363.157 real_cost = 176.521 PROTINFO-AB_TS1 costs 388.166 real_cost = 179.537 POMYSL_TS5-scwrl costs 521.069 real_cost = 270.195 POMYSL_TS5 costs 528.044 real_cost = 279.359 POMYSL_TS4-scwrl costs 515.987 real_cost = 306.604 POMYSL_TS4 costs 519.634 real_cost = 307.784 POMYSL_TS3-scwrl costs 521.713 real_cost = 295.336 POMYSL_TS3 costs 544.136 real_cost = 299.930 POMYSL_TS2-scwrl costs 571.420 real_cost = 256.278 POMYSL_TS2 costs 564.047 real_cost = 266.074 POMYSL_TS1-scwrl costs 522.108 real_cost = 297.206 POMYSL_TS1 costs 534.050 real_cost = 314.310 NN_PUT_lab_TS1-scwrl costs 469.918 real_cost = 306.093 NN_PUT_lab_TS1 costs 64593.460 real_cost = 412.582 MetaTasser_TS5-scwrl costs 623.944 real_cost = 251.038 MetaTasser_TS5 costs 622.267 real_cost = 252.646 MetaTasser_TS4-scwrl costs 636.325 real_cost = 261.726 MetaTasser_TS4 costs 659.614 real_cost = 257.524 MetaTasser_TS3-scwrl costs 650.240 real_cost = 204.761 MetaTasser_TS3 costs 660.686 real_cost = 197.275 MetaTasser_TS2-scwrl costs 534.783 real_cost = 209.108 MetaTasser_TS2 costs 561.570 real_cost = 213.696 MetaTasser_TS1-scwrl costs 593.963 real_cost = 239.410 MetaTasser_TS1 costs 621.078 real_cost = 245.586 Ma-OPUS-server_TS5-scwrl costs 412.061 real_cost = 218.730 Ma-OPUS-server_TS5 costs 426.968 real_cost = 217.231 Ma-OPUS-server_TS4-scwrl costs 391.826 real_cost = 221.306 Ma-OPUS-server_TS4 costs 405.499 real_cost = 220.386 Ma-OPUS-server_TS3-scwrl costs 411.737 real_cost = 199.237 Ma-OPUS-server_TS3 costs 417.034 real_cost = 205.213 Ma-OPUS-server_TS2-scwrl costs 422.521 real_cost = 263.730 Ma-OPUS-server_TS2 costs 437.886 real_cost = 262.284 Ma-OPUS-server_TS1-scwrl costs 404.243 real_cost = 243.099 Ma-OPUS-server_TS1 costs 421.154 real_cost = 250.578 Ma-OPUS-server2_TS5-scwrl costs 422.521 real_cost = 263.730 Ma-OPUS-server2_TS5 costs 437.886 real_cost = 262.284 Ma-OPUS-server2_TS4-scwrl costs 410.989 real_cost = 222.054 Ma-OPUS-server2_TS4 costs 423.628 real_cost = 223.397 Ma-OPUS-server2_TS3-scwrl costs 403.493 real_cost = 201.340 Ma-OPUS-server2_TS3 costs 412.106 real_cost = 202.206 Ma-OPUS-server2_TS2-scwrl costs 448.282 real_cost = 257.966 Ma-OPUS-server2_TS2 costs 449.820 real_cost = 259.647 Ma-OPUS-server2_TS1-scwrl costs 414.455 real_cost = 258.073 Ma-OPUS-server2_TS1 costs 429.567 real_cost = 262.735 MIG_FROST_AL1-scwrl costs 508.948 real_cost = 200.568 MIG_FROST_AL1 costs 507.236 real_cost = 200.610 LOOPP_TS5 costs 494.067 real_cost = 205.010 LOOPP_TS4-scwrl costs 616.451 real_cost = 279.576 LOOPP_TS4 costs 611.118 real_cost = 281.639 LOOPP_TS3-scwrl costs 613.866 real_cost = 252.192 LOOPP_TS3 costs 610.887 real_cost = 263.095 LOOPP_TS2-scwrl costs 499.615 real_cost = 270.008 LOOPP_TS2 costs 490.511 real_cost = 277.471 LOOPP_TS1-scwrl costs 451.496 real_cost = 212.821 LOOPP_TS1 costs 437.012 real_cost = 220.828 Huber-Torda-Server_TS5-scwrl costs 639.622 real_cost = 338.905 Huber-Torda-Server_TS5 costs 5080.523 real_cost = 372.005 Huber-Torda-Server_TS4-scwrl costs 532.932 real_cost = 353.685 Huber-Torda-Server_TS4 costs 4877.536 real_cost = 407.235 Huber-Torda-Server_TS3-scwrl costs 505.641 real_cost = 278.125 Huber-Torda-Server_TS3 costs 15776.156 real_cost = 335.905 Huber-Torda-Server_TS2-scwrl costs 634.461 real_cost = 251.367 Huber-Torda-Server_TS2 costs 16383.728 real_cost = 292.882 Huber-Torda-Server_TS1-scwrl costs 1193.993 real_cost = 305.288 Huber-Torda-Server_TS1 costs 1572.056 real_cost = 282.249 HHpred3_TS1-scwrl costs 457.522 real_cost = 268.727 HHpred3_TS1 costs 467.159 real_cost = 279.687 HHpred2_TS1-scwrl costs 539.872 real_cost = 340.775 HHpred2_TS1 costs 549.561 real_cost = 342.876 HHpred1_TS1-scwrl costs 539.872 real_cost = 340.775 HHpred1_TS1 costs 549.561 real_cost = 342.876 GeneSilicoMetaServer_TS5-scwrl costs 439.091 real_cost = 221.604 GeneSilicoMetaServer_TS5 costs 453.765 real_cost = 225.336 GeneSilicoMetaServer_TS4-scwrl costs 413.806 real_cost = 247.999 GeneSilicoMetaServer_TS4 costs 428.289 real_cost = 248.159 GeneSilicoMetaServer_TS3-scwrl costs 408.247 real_cost = 208.183 GeneSilicoMetaServer_TS3 costs 420.626 real_cost = 209.477 GeneSilicoMetaServer_TS2-scwrl costs 404.186 real_cost = 266.096 GeneSilicoMetaServer_TS2 costs 417.312 real_cost = 272.257 GeneSilicoMetaServer_TS1-scwrl costs 443.003 real_cost = 219.584 GeneSilicoMetaServer_TS1 costs 451.172 real_cost = 218.913 Frankenstein_TS2-scwrl costs 455.870 real_cost = 239.159 Frankenstein_TS2 costs 471.525 real_cost = 239.506 Frankenstein_TS1-scwrl costs 389.372 real_cost = 221.764 Frankenstein_TS1 costs 401.588 real_cost = 222.353 FUNCTION_TS5-scwrl costs 546.221 real_cost = 301.990 FUNCTION_TS5 costs 544.263 real_cost = 297.570 FUNCTION_TS4-scwrl costs 527.202 real_cost = 301.842 FUNCTION_TS4 costs 505.767 real_cost = 303.742 FUNCTION_TS3-scwrl costs 423.002 real_cost = 237.460 FUNCTION_TS3 costs 427.272 real_cost = 234.045 FUNCTION_TS2-scwrl costs 550.077 real_cost = 279.116 FUNCTION_TS2 costs 538.043 real_cost = 282.750 FUNCTION_TS1-scwrl costs 563.709 real_cost = 287.212 FUNCTION_TS1 costs 534.341 real_cost = 287.224 FUGUE_AL5-scwrl costs 535.199 real_cost = 352.304 FUGUE_AL5 costs 9557.073 real_cost = 449.119 FUGUE_AL4-scwrl costs 640.300 real_cost = 353.564 FUGUE_AL4 costs 8271.976 real_cost = 430.203 FUGUE_AL3-scwrl costs 1072.721 real_cost = 364.204 FUGUE_AL3 costs 7999.737 real_cost = 364.204 FUGUE_AL2-scwrl costs 1100.202 real_cost = 365.847 FUGUE_AL2 costs 10143.638 real_cost = 365.847 FUGUE_AL1-scwrl costs 469.918 real_cost = 306.093 FUGUE_AL1 costs 64593.460 real_cost = 412.582 FUGMOD_TS5-scwrl costs 492.017 real_cost = 345.656 FUGMOD_TS5 costs 505.550 real_cost = 347.945 FUGMOD_TS4-scwrl costs 496.763 real_cost = 335.165 FUGMOD_TS4 costs 505.072 real_cost = 334.003 FUGMOD_TS3-scwrl costs 417.371 real_cost = 243.810 FUGMOD_TS3 costs 428.043 real_cost = 249.718 FUGMOD_TS2-scwrl costs 426.339 real_cost = 266.260 FUGMOD_TS2 costs 435.580 real_cost = 267.891 FUGMOD_TS1-scwrl costs 399.232 real_cost = 273.992 FUGMOD_TS1 costs 411.648 real_cost = 284.476 FPSOLVER-SERVER_TS5-scwrl costs 475.887 real_cost = 305.716 FPSOLVER-SERVER_TS5 costs 477.776 real_cost = 308.406 FPSOLVER-SERVER_TS4-scwrl costs 481.269 real_cost = 259.248 FPSOLVER-SERVER_TS4 costs 481.883 real_cost = 271.750 FPSOLVER-SERVER_TS3-scwrl costs 476.503 real_cost = 275.457 FPSOLVER-SERVER_TS3 costs 476.934 real_cost = 285.592 FPSOLVER-SERVER_TS2-scwrl costs 469.302 real_cost = 291.992 FPSOLVER-SERVER_TS2 costs 469.696 real_cost = 289.721 FPSOLVER-SERVER_TS1-scwrl costs 481.375 real_cost = 279.140 FPSOLVER-SERVER_TS1 costs 481.515 real_cost = 283.514 FORTE2_AL5-scwrl costs 552.212 real_cost = 265.621 FORTE2_AL5 costs 61296.080 real_cost = 351.503 FORTE2_AL4-scwrl costs 544.538 real_cost = 322.765 FORTE2_AL4 costs 5331.498 real_cost = 414.380 FORTE2_AL3-scwrl costs 1273.646 real_cost = 431.341 FORTE2_AL3 costs 28123.158 real_cost = 431.341 FORTE2_AL2-scwrl costs 950.115 real_cost = 459.739 FORTE2_AL2 costs 51696.308 real_cost = 502.183 FORTE2_AL1-scwrl costs 829.178 real_cost = 390.636 FORTE2_AL1 costs 34979.466 real_cost = 458.736 FORTE1_AL5-scwrl costs 544.538 real_cost = 322.765 FORTE1_AL5 costs 5331.498 real_cost = 414.380 FORTE1_AL4-scwrl costs 1273.646 real_cost = 431.341 FORTE1_AL4 costs 28123.158 real_cost = 431.341 FORTE1_AL3-scwrl costs 950.115 real_cost = 459.739 FORTE1_AL3 costs 51696.308 real_cost = 502.183 FORTE1_AL2-scwrl costs 829.178 real_cost = 390.636 FORTE1_AL2 costs 34979.466 real_cost = 458.736 FORTE1_AL1-scwrl costs 541.383 real_cost = 292.774 FORTE1_AL1 costs 32462.831 real_cost = 381.979 FOLDpro_TS5-scwrl costs 497.035 real_cost = 315.306 FOLDpro_TS5 costs 499.136 real_cost = 311.031 FOLDpro_TS4-scwrl costs 550.071 real_cost = 339.431 FOLDpro_TS4 costs 533.417 real_cost = 340.379 FOLDpro_TS3-scwrl costs 475.043 real_cost = 335.680 FOLDpro_TS3 costs 487.263 real_cost = 335.802 FOLDpro_TS2-scwrl costs 493.556 real_cost = 307.239 FOLDpro_TS2 costs 501.679 real_cost = 313.208 FOLDpro_TS1-scwrl costs 483.462 real_cost = 249.338 FOLDpro_TS1 costs 492.141 real_cost = 262.126 FAMS_TS5-scwrl costs 546.221 real_cost = 301.990 FAMS_TS5 costs 544.263 real_cost = 297.570 FAMS_TS4-scwrl costs 432.612 real_cost = 257.719 FAMS_TS4 costs 442.129 real_cost = 256.749 FAMS_TS3-scwrl costs 917.991 real_cost = 307.154 FAMS_TS3 costs 894.200 real_cost = 318.615 FAMS_TS2-scwrl costs 1004.951 real_cost = 278.349 FAMS_TS2 costs 989.299 real_cost = 312.030 FAMS_TS1-scwrl costs 478.006 real_cost = 268.947 FAMS_TS1 costs 478.307 real_cost = 271.068 FAMSD_TS5-scwrl costs 498.134 real_cost = 278.938 FAMSD_TS5 costs 485.649 real_cost = 276.707 FAMSD_TS4-scwrl costs 520.069 real_cost = 285.476 FAMSD_TS4 costs 513.649 real_cost = 288.208 FAMSD_TS3-scwrl costs 475.162 real_cost = 278.926 FAMSD_TS3 costs 481.117 real_cost = 275.310 FAMSD_TS2-scwrl costs 486.209 real_cost = 274.328 FAMSD_TS2 costs 485.602 real_cost = 284.527 FAMSD_TS1-scwrl costs 451.737 real_cost = 258.289 FAMSD_TS1 costs 460.049 real_cost = 257.968 Distill_TS5-scwrl costs 2215.235 real_cost = 350.620 Distill_TS4-scwrl costs 2221.996 real_cost = 369.254 Distill_TS3-scwrl costs 2210.815 real_cost = 378.939 Distill_TS2-scwrl costs 2220.149 real_cost = 373.092 Distill_TS1-scwrl costs 2210.106 real_cost = 365.791 CaspIta-FOX_TS5-scwrl costs 542.954 real_cost = 301.708 CaspIta-FOX_TS5 costs 563.249 real_cost = 300.212 CaspIta-FOX_TS4-scwrl costs 604.988 real_cost = 253.784 CaspIta-FOX_TS4 costs 589.110 real_cost = 257.883 CaspIta-FOX_TS3-scwrl costs 677.695 real_cost = 325.152 CaspIta-FOX_TS3 costs 661.111 real_cost = 319.981 CaspIta-FOX_TS2-scwrl costs 580.190 real_cost = 308.620 CaspIta-FOX_TS2 costs 553.639 real_cost = 306.723 CaspIta-FOX_TS1-scwrl costs 610.205 real_cost = 329.504 CaspIta-FOX_TS1 costs 601.821 real_cost = 327.233 CIRCLE_TS5-scwrl costs 422.443 real_cost = 204.485 CIRCLE_TS5 costs 422.961 real_cost = 208.809 CIRCLE_TS4-scwrl costs 431.357 real_cost = 262.636 CIRCLE_TS4 costs 442.112 real_cost = 268.280 CIRCLE_TS3-scwrl costs 432.612 real_cost = 257.719 CIRCLE_TS3 costs 442.129 real_cost = 256.749 CIRCLE_TS2-scwrl costs 917.991 real_cost = 307.154 CIRCLE_TS2 costs 894.200 real_cost = 318.615 CIRCLE_TS1-scwrl costs 479.550 real_cost = 260.291 CIRCLE_TS1 costs 493.915 real_cost = 263.459 Bilab-ENABLE_TS5-scwrl costs 418.976 real_cost = 242.279 Bilab-ENABLE_TS5 costs 418.976 real_cost = 242.279 Bilab-ENABLE_TS4-scwrl costs 419.245 real_cost = 245.246 Bilab-ENABLE_TS4 costs 419.395 real_cost = 245.407 Bilab-ENABLE_TS3-scwrl costs 405.239 real_cost = 238.078 Bilab-ENABLE_TS3 costs 405.239 real_cost = 238.078 Bilab-ENABLE_TS2-scwrl costs 402.891 real_cost = 278.032 Bilab-ENABLE_TS2 costs 404.823 real_cost = 278.044 Bilab-ENABLE_TS1-scwrl costs 419.012 real_cost = 250.151 Bilab-ENABLE_TS1 costs 419.012 real_cost = 250.151 BayesHH_TS1-scwrl costs 457.522 real_cost = 268.727 BayesHH_TS1 costs 467.159 real_cost = 279.687 ABIpro_TS5-scwrl costs 475.370 real_cost = 195.037 ABIpro_TS5 costs 475.370 real_cost = 195.037 ABIpro_TS4-scwrl costs 474.845 real_cost = 197.480 ABIpro_TS4 costs 474.845 real_cost = 197.480 ABIpro_TS3-scwrl costs 510.676 real_cost = 199.869 ABIpro_TS3 costs 510.676 real_cost = 199.869 ABIpro_TS2-scwrl costs 453.765 real_cost = 209.523 ABIpro_TS2 costs 453.765 real_cost = 209.523 ABIpro_TS1-scwrl costs 488.418 real_cost = 202.824 ABIpro_TS1 costs 488.418 real_cost = 202.824 3Dpro_TS5-scwrl costs 504.653 real_cost = 323.922 3Dpro_TS5 costs 510.424 real_cost = 323.504 3Dpro_TS4-scwrl costs 470.781 real_cost = 289.421 3Dpro_TS4 costs 476.762 real_cost = 293.628 3Dpro_TS3-scwrl costs 453.765 real_cost = 209.523 3Dpro_TS3 costs 453.765 real_cost = 209.523 3Dpro_TS2-scwrl costs 446.778 real_cost = 268.746 3Dpro_TS2 costs 453.179 real_cost = 278.586 3Dpro_TS1-scwrl costs 488.418 real_cost = 202.824 3Dpro_TS1 costs 488.418 real_cost = 202.824 3D-JIGSAW_TS5-scwrl costs 691.877 real_cost = 322.981 3D-JIGSAW_TS5 costs 652.612 real_cost = 328.693 3D-JIGSAW_TS4-scwrl costs 607.588 real_cost = 259.061 3D-JIGSAW_TS4 costs 576.559 real_cost = 264.401 3D-JIGSAW_TS3-scwrl costs 731.865 real_cost = 313.894 3D-JIGSAW_TS3 costs 706.956 real_cost = 319.694 3D-JIGSAW_TS2-scwrl costs 613.921 real_cost = 264.683 3D-JIGSAW_TS2 costs 561.254 real_cost = 257.080 3D-JIGSAW_TS1-scwrl costs 467.297 real_cost = 255.800 3D-JIGSAW_TS1 costs 452.439 real_cost = 250.366 3D-JIGSAW_RECOM_TS5-scwrl costs 631.254 real_cost = 275.211 3D-JIGSAW_RECOM_TS5 costs 560.649 real_cost = 268.310 3D-JIGSAW_RECOM_TS4-scwrl costs 686.600 real_cost = 269.915 3D-JIGSAW_RECOM_TS4 costs 635.775 real_cost = 264.346 3D-JIGSAW_RECOM_TS3-scwrl costs 475.280 real_cost = 213.509 3D-JIGSAW_RECOM_TS3 costs 461.317 real_cost = 216.133 3D-JIGSAW_RECOM_TS2-scwrl costs 690.582 real_cost = 270.077 3D-JIGSAW_RECOM_TS2 costs 641.270 real_cost = 264.537 3D-JIGSAW_RECOM_TS1-scwrl costs 528.523 real_cost = 237.531 3D-JIGSAW_RECOM_TS1 costs 507.009 real_cost = 235.817 3D-JIGSAW_POPULUS_TS5-scwrl costs 531.397 real_cost = 268.695 3D-JIGSAW_POPULUS_TS5 costs 506.153 real_cost = 261.717 3D-JIGSAW_POPULUS_TS4-scwrl costs 467.824 real_cost = 259.461 3D-JIGSAW_POPULUS_TS4 costs 445.722 real_cost = 255.463 3D-JIGSAW_POPULUS_TS3-scwrl costs 469.736 real_cost = 265.672 3D-JIGSAW_POPULUS_TS3 costs 448.683 real_cost = 261.832 3D-JIGSAW_POPULUS_TS2-scwrl costs 435.165 real_cost = 249.582 3D-JIGSAW_POPULUS_TS2 costs 425.530 real_cost = 249.763 3D-JIGSAW_POPULUS_TS1-scwrl costs 454.922 real_cost = 260.999 3D-JIGSAW_POPULUS_TS1 costs 435.601 real_cost = 257.262 T0350.try9-opt2.repack-nonPC.pdb.gz costs 332.412 real_cost = 206.434 T0350.try9-opt2.pdb.gz costs 329.402 real_cost = 208.489 T0350.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 342.454 real_cost = 203.036 T0350.try9-opt2.gromacs0.pdb.gz costs 340.996 real_cost = 209.723 T0350.try9-opt1.pdb.gz costs 337.479 real_cost = 204.446 T0350.try9-opt1-scwrl.pdb.gz costs 340.148 real_cost = 204.281 T0350.try8-opt2.repack-nonPC.pdb.gz costs 330.979 real_cost = 165.478 T0350.try8-opt2.pdb.gz costs 328.179 real_cost = 165.898 T0350.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 338.219 real_cost = 167.144 T0350.try8-opt2.gromacs0.pdb.gz costs 336.872 real_cost = 167.328 T0350.try8-opt1.pdb.gz costs 335.538 real_cost = 168.775 T0350.try8-opt1-scwrl.pdb.gz costs 337.999 real_cost = 172.907 T0350.try7-opt2.repack-nonPC.pdb.gz costs 334.812 real_cost = 204.380 T0350.try7-opt2.pdb.gz costs 332.960 real_cost = 203.995 T0350.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 343.865 real_cost = 204.775 T0350.try7-opt2.gromacs0.pdb.gz costs 341.505 real_cost = 203.502 T0350.try7-opt1.pdb.gz costs 347.380 real_cost = 206.386 T0350.try7-opt1-scwrl.pdb.gz costs 348.650 real_cost = 207.614 T0350.try6-opt2.repack-nonPC.pdb.gz costs 336.264 real_cost = 176.238 T0350.try6-opt2.pdb.gz costs 331.722 real_cost = 179.937 T0350.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 346.832 real_cost = 178.496 T0350.try6-opt2.gromacs0.pdb.gz costs 343.353 real_cost = 181.723 T0350.try6-opt1.pdb.gz costs 348.337 real_cost = 199.171 T0350.try6-opt1-scwrl.pdb.gz costs 350.580 real_cost = 199.559 T0350.try5-opt2.repack-nonPC.pdb.gz costs 329.936 real_cost = 172.576 T0350.try5-opt2.pdb.gz costs 324.962 real_cost = 172.828 T0350.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 340.697 real_cost = 172.366 T0350.try5-opt2.gromacs0.pdb.gz costs 338.392 real_cost = 172.385 T0350.try5-opt1.pdb.gz costs 328.059 real_cost = 172.321 T0350.try5-opt1-scwrl.pdb.gz costs 338.720 real_cost = 173.770 T0350.try4-opt2.repack-nonPC.pdb.gz costs 348.310 real_cost = 177.343 T0350.try4-opt2.pdb.gz costs 346.656 real_cost = 179.106 T0350.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 359.648 real_cost = 181.904 T0350.try4-opt2.gromacs0.pdb.gz costs 357.958 real_cost = 181.521 T0350.try4-opt1.pdb.gz costs 357.620 real_cost = 179.747 T0350.try4-opt1-scwrl.pdb.gz costs 358.404 real_cost = 181.284 T0350.try3-opt2.repack-nonPC.pdb.gz costs 350.392 real_cost = 205.782 T0350.try3-opt2.pdb.gz costs 344.759 real_cost = 203.799 T0350.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 361.297 real_cost = 198.776 T0350.try3-opt2.gromacs0.pdb.gz costs 359.750 real_cost = 201.559 T0350.try3-opt1.pdb.gz costs 350.779 real_cost = 203.898 T0350.try3-opt1-scwrl.pdb.gz costs 352.289 real_cost = 204.175 T0350.try2-opt2.repack-nonPC.pdb.gz costs 356.383 real_cost = 265.175 T0350.try2-opt2.pdb.gz costs 352.389 real_cost = 262.731 T0350.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 374.307 real_cost = 264.905 T0350.try2-opt2.gromacs0.pdb.gz costs 375.194 real_cost = 264.982 T0350.try2-opt1.pdb.gz costs 363.409 real_cost = 257.430 T0350.try2-opt1-scwrl.pdb.gz costs 366.455 real_cost = 257.274 T0350.try1-opt2.repack-nonPC.pdb.gz costs 352.475 real_cost = 268.114 T0350.try1-opt2.pdb.gz costs 351.314 real_cost = 268.839 T0350.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 373.753 real_cost = 266.394 T0350.try1-opt2.gromacs0.pdb.gz costs 373.215 real_cost = 263.437 T0350.try1-opt1.pdb.gz costs 363.279 real_cost = 269.886 T0350.try1-opt1-scwrl.pdb.gz costs 365.616 real_cost = 270.305 T0350.edit4.pdb.gz costs 412.547 real_cost = 207.358 T0350.edit13.pdb.gz costs 440.026 real_cost = 184.905 ../model5.ts-submitted costs 351.329 real_cost = 268.611 ../model4.ts-submitted costs 346.654 real_cost = 179.103 ../model3.ts-submitted costs 324.962 real_cost = 172.832 ../model2.ts-submitted costs 343.949 real_cost = 204.547 ../model1.ts-submitted costs 331.659 real_cost = 179.939 align5 costs 965.864 real_cost = 366.187 align4 costs 1111.180 real_cost = 269.606 align3 costs 915.838 real_cost = 329.602 align2 costs 901.574 real_cost = 286.446 align1 costs 1033.656 real_cost = 314.958 T0350.try1-opt2.pdb costs 351.314 real_cost = 268.839 model5-scwrl costs 356.817 real_cost = 268.613 model5.ts-submitted costs 351.329 real_cost = 268.611 model4-scwrl costs 350.116 real_cost = 176.975 model4.ts-submitted costs 346.654 real_cost = 179.103 model3-scwrl costs 332.607 real_cost = 174.097 model3.ts-submitted costs 324.962 real_cost = 172.832 model2-scwrl costs 344.003 real_cost = 201.853 model2.ts-submitted costs 343.949 real_cost = 204.547 model1-scwrl costs 338.814 real_cost = 180.553 model1.ts-submitted costs 331.659 real_cost = 179.939 2hc5A costs 387.464 real_cost = -879.800 # command:CPU_time= 251.246 sec, elapsed time= 1162.372 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/T0350'