make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0307' 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/T0307.} ;\ 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/T0307/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2h5nA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174672755 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.14907 sec, elapsed time= 12.3768 sec) # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 6.22905 sec, elapsed time= 12.5676 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0307 numbered 1 through 133 Created new target T0307 from T0307.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0307 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 T0307.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 T0307.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 T0307.t06.alpha.rdb # created predicted alpha cost function pred_alpha06 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-monomeric-50pc-CB14.hist # created burial cost function cb14 with radius 14 with spots at CB counting only CB # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 28 alphabets from burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_cb14_2k # created predicted BurialPredCostFcn pred_cb14_2k_simple # created predicted BurialPredCostFcn pred_cb14_04 # created predicted BurialPredCostFcn pred_cb14_04_simple # created predicted BurialPredCostFcn pred_cb14_06 # created predicted BurialPredCostFcn pred_cb14_06_simple Unrecognized cost function c_beta for SetCost Unrecognized cost function 5 for SetCost # SetCost created cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 5 * nb11(9.65) + 5 * pred_nb11_2k_simple(9.65) + 5 * pred_nb11_2k(9.65) + 5 * pred_nb11_04_simple(9.65) + 5 * pred_nb11_04(9.65) + 5 * pred_nb11_06_simple(9.65) + 5 * pred_nb11_06(9.65) + 5 * cb14(14) + 5 * pred_cb14_2k_simple(14) + 5 * pred_cb14_2k(14) + 5 * pred_cb14_04_simple(14) + 5 * pred_cb14_04(14) + 5 * pred_cb14_06_simple(14) + 5 * pred_cb14_06(14) + 2 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms ) # command:CPU_time= 11.3873 sec, elapsed time= 23.9172 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 99 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -28.4351 # GDT_score(maxd=8,maxw=2.9)= -26.9633 # GDT_score(maxd=8,maxw=3.2)= -25.6485 # GDT_score(maxd=8,maxw=3.5)= -24.4969 # GDT_score(maxd=10,maxw=3.8)= -26.8129 # GDT_score(maxd=10,maxw=4)= -26.0768 # GDT_score(maxd=10,maxw=4.2)= -25.3803 # GDT_score(maxd=12,maxw=4.3)= -27.8051 # GDT_score(maxd=12,maxw=4.5)= -27.0782 # GDT_score(maxd=12,maxw=4.7)= -26.3856 # GDT_score(maxd=14,maxw=5.2)= -27.1141 # GDT_score(maxd=14,maxw=5.5)= -26.1469 # 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 33.423 10.504 36.594 1.00 0.00 ATOM 2 CA MET A 1 33.830 10.718 35.182 1.00 0.00 ATOM 3 CB MET A 1 33.709 9.411 34.398 1.00 0.00 ATOM 4 CG MET A 1 34.524 8.277 34.979 1.00 0.00 ATOM 5 SD MET A 1 34.308 6.728 34.095 1.00 0.00 ATOM 6 CE MET A 1 35.278 7.069 32.597 1.00 0.00 ATOM 7 O MET A 1 31.871 11.997 35.039 1.00 0.00 ATOM 8 C MET A 1 32.999 11.824 34.544 1.00 0.00 ATOM 9 N GLY A 2 33.509 12.494 33.520 1.00 0.00 ATOM 10 CA GLY A 2 32.716 13.562 32.876 1.00 0.00 ATOM 11 O GLY A 2 31.753 11.751 31.628 1.00 0.00 ATOM 12 C GLY A 2 31.699 12.946 31.915 1.00 0.00 ATOM 13 N LEU A 3 30.808 13.782 31.438 1.00 0.00 ATOM 14 CA LEU A 3 29.719 13.323 30.557 1.00 0.00 ATOM 15 CB LEU A 3 28.820 14.521 30.200 1.00 0.00 ATOM 16 CG LEU A 3 27.547 14.165 29.428 1.00 0.00 ATOM 17 CD1 LEU A 3 26.623 13.333 30.314 1.00 0.00 ATOM 18 CD2 LEU A 3 26.854 15.441 28.980 1.00 0.00 ATOM 19 O LEU A 3 29.571 11.651 28.837 1.00 0.00 ATOM 20 C LEU A 3 30.172 12.638 29.264 1.00 0.00 ATOM 21 N GLY A 4 31.256 13.144 28.625 1.00 0.00 ATOM 22 CA GLY A 4 31.840 12.545 27.436 1.00 0.00 ATOM 23 O GLY A 4 32.091 10.236 26.897 1.00 0.00 ATOM 24 C GLY A 4 32.339 11.119 27.710 1.00 0.00 ATOM 25 N ARG A 5 33.012 10.929 28.837 1.00 0.00 ATOM 26 CA ARG A 5 33.540 9.591 29.150 1.00 0.00 ATOM 27 CB ARG A 5 34.481 9.675 30.347 1.00 0.00 ATOM 28 CG ARG A 5 35.776 10.432 30.059 1.00 0.00 ATOM 29 CD ARG A 5 36.746 9.651 29.191 1.00 0.00 ATOM 30 NE ARG A 5 37.259 8.469 29.894 1.00 0.00 ATOM 31 CZ ARG A 5 38.261 8.482 30.778 1.00 0.00 ATOM 32 NH1 ARG A 5 38.880 9.619 31.083 1.00 0.00 ATOM 33 NH2 ARG A 5 38.649 7.346 31.364 1.00 0.00 ATOM 34 O ARG A 5 32.422 7.485 28.920 1.00 0.00 ATOM 35 C ARG A 5 32.367 8.635 29.351 1.00 0.00 ATOM 36 N GLN A 6 31.319 9.133 30.001 1.00 0.00 ATOM 37 CA GLN A 6 30.129 8.326 30.265 1.00 0.00 ATOM 38 CB GLN A 6 29.176 9.082 31.212 1.00 0.00 ATOM 39 CG GLN A 6 29.652 9.141 32.653 1.00 0.00 ATOM 40 CD GLN A 6 28.752 9.985 33.536 1.00 0.00 ATOM 41 OE1 GLN A 6 28.215 11.005 33.096 1.00 0.00 ATOM 42 NE2 GLN A 6 28.589 9.569 34.785 1.00 0.00 ATOM 43 O GLN A 6 28.951 6.813 28.794 1.00 0.00 ATOM 44 C GLN A 6 29.397 7.949 28.968 1.00 0.00 ATOM 45 N SER A 7 29.241 8.907 28.038 1.00 0.00 ATOM 46 CA SER A 7 28.672 8.637 26.714 1.00 0.00 ATOM 47 CB SER A 7 28.620 9.901 25.851 1.00 0.00 ATOM 48 OG SER A 7 27.795 10.888 26.444 1.00 0.00 ATOM 49 O SER A 7 28.895 6.741 25.193 1.00 0.00 ATOM 50 C SER A 7 29.470 7.569 25.945 1.00 0.00 ATOM 51 N LEU A 8 30.855 7.548 26.081 1.00 0.00 ATOM 52 CA LEU A 8 31.696 6.569 25.387 1.00 0.00 ATOM 53 CB LEU A 8 33.184 6.917 25.458 1.00 0.00 ATOM 54 CG LEU A 8 33.627 8.160 24.685 1.00 0.00 ATOM 55 CD1 LEU A 8 35.081 8.493 24.986 1.00 0.00 ATOM 56 CD2 LEU A 8 33.491 7.937 23.185 1.00 0.00 ATOM 57 O LEU A 8 31.440 4.239 25.254 1.00 0.00 ATOM 58 C LEU A 8 31.497 5.204 26.006 1.00 0.00 ATOM 59 N ASN A 9 31.404 5.144 27.338 1.00 0.00 ATOM 60 CA ASN A 9 31.189 3.831 27.969 1.00 0.00 ATOM 61 CB ASN A 9 31.228 3.946 29.499 1.00 0.00 ATOM 62 CG ASN A 9 32.644 3.896 30.050 1.00 0.00 ATOM 63 ND2 ASN A 9 32.937 4.757 31.017 1.00 0.00 ATOM 64 OD1 ASN A 9 33.462 3.076 29.626 1.00 0.00 ATOM 65 O ASN A 9 29.717 2.028 27.337 1.00 0.00 ATOM 66 C ASN A 9 29.827 3.233 27.578 1.00 0.00 ATOM 67 N ILE A 10 28.794 4.082 27.527 1.00 0.00 ATOM 68 CA ILE A 10 27.468 3.592 27.135 1.00 0.00 ATOM 69 CB ILE A 10 26.452 4.738 27.285 1.00 0.00 ATOM 70 CG1 ILE A 10 26.244 5.018 28.781 1.00 0.00 ATOM 71 CG2 ILE A 10 25.142 4.372 26.593 1.00 0.00 ATOM 72 CD1 ILE A 10 25.398 6.278 29.038 1.00 0.00 ATOM 73 O ILE A 10 27.006 2.063 25.356 1.00 0.00 ATOM 74 C ILE A 10 27.559 3.095 25.699 1.00 0.00 ATOM 75 N MET A 11 28.312 3.911 24.747 1.00 0.00 ATOM 76 CA MET A 11 28.491 3.540 23.349 1.00 0.00 ATOM 77 CB MET A 11 29.246 4.611 22.592 1.00 0.00 ATOM 78 CG MET A 11 28.372 5.867 22.400 1.00 0.00 ATOM 79 SD MET A 11 28.990 7.160 21.368 1.00 0.00 ATOM 80 CE MET A 11 30.361 7.162 21.979 1.00 0.00 ATOM 81 O MET A 11 28.888 1.386 22.385 1.00 0.00 ATOM 82 C MET A 11 29.274 2.244 23.192 1.00 0.00 ATOM 83 N THR A 12 30.360 2.084 23.946 1.00 0.00 ATOM 84 CA THR A 12 31.146 0.847 23.843 1.00 0.00 ATOM 85 CB THR A 12 32.354 0.793 24.722 1.00 0.00 ATOM 86 CG2 THR A 12 33.018 -0.557 24.593 1.00 0.00 ATOM 87 OG1 THR A 12 33.260 1.816 24.309 1.00 0.00 ATOM 88 O THR A 12 30.211 -1.338 23.473 1.00 0.00 ATOM 89 C THR A 12 30.240 -0.340 24.197 1.00 0.00 ATOM 90 N PHE A 13 29.499 -0.194 25.245 1.00 0.00 ATOM 91 CA PHE A 13 28.564 -1.250 25.633 1.00 0.00 ATOM 92 CB PHE A 13 27.891 -0.836 26.985 1.00 0.00 ATOM 93 CG PHE A 13 26.790 -1.757 27.421 1.00 0.00 ATOM 94 CD1 PHE A 13 27.073 -3.048 27.861 1.00 0.00 ATOM 95 CD2 PHE A 13 25.463 -1.339 27.379 1.00 0.00 ATOM 96 CE1 PHE A 13 26.049 -3.913 28.258 1.00 0.00 ATOM 97 CE2 PHE A 13 24.430 -2.195 27.773 1.00 0.00 ATOM 98 CZ PHE A 13 24.726 -3.480 28.212 1.00 0.00 ATOM 99 O PHE A 13 27.217 -2.664 24.260 1.00 0.00 ATOM 100 C PHE A 13 27.493 -1.514 24.578 1.00 0.00 ATOM 101 N SER A 14 26.876 -0.474 24.020 1.00 0.00 ATOM 102 CA SER A 14 25.849 -0.726 23.021 1.00 0.00 ATOM 103 CB SER A 14 25.043 0.434 22.708 1.00 0.00 ATOM 104 OG SER A 14 25.843 1.532 22.287 1.00 0.00 ATOM 105 O SER A 14 25.767 -2.139 21.092 1.00 0.00 ATOM 106 C SER A 14 26.412 -1.282 21.715 1.00 0.00 ATOM 107 N GLY A 15 27.602 -0.825 21.301 1.00 0.00 ATOM 108 CA GLY A 15 28.204 -1.325 20.078 1.00 0.00 ATOM 109 O GLY A 15 28.170 0.914 19.229 1.00 0.00 ATOM 110 C GLY A 15 28.668 -0.211 19.160 1.00 0.00 ATOM 111 N GLN A 16 29.632 -0.531 18.298 1.00 0.00 ATOM 112 CA GLN A 16 30.164 0.449 17.357 1.00 0.00 ATOM 113 CB GLN A 16 31.226 -0.104 16.473 1.00 0.00 ATOM 114 CG GLN A 16 32.542 -0.295 17.226 1.00 0.00 ATOM 115 CD GLN A 16 33.709 -0.657 16.321 1.00 0.00 ATOM 116 OE1 GLN A 16 34.862 -0.348 16.628 1.00 0.00 ATOM 117 NE2 GLN A 16 33.418 -1.322 15.210 1.00 0.00 ATOM 118 O GLN A 16 28.909 2.077 16.100 1.00 0.00 ATOM 119 C GLN A 16 29.067 0.890 16.404 1.00 0.00 ATOM 120 N GLU A 17 28.263 -0.075 15.880 1.00 0.00 ATOM 121 CA GLU A 17 27.158 0.261 14.976 1.00 0.00 ATOM 122 CB GLU A 17 26.581 -1.029 14.356 1.00 0.00 ATOM 123 CG GLU A 17 27.605 -1.633 13.359 1.00 0.00 ATOM 124 CD GLU A 17 27.262 -3.052 12.927 1.00 0.00 ATOM 125 OE1 GLU A 17 26.583 -3.760 13.707 1.00 0.00 ATOM 126 OE2 GLU A 17 27.702 -3.456 11.831 1.00 0.00 ATOM 127 O GLU A 17 25.482 1.960 15.102 1.00 0.00 ATOM 128 C GLU A 17 26.106 1.087 15.702 1.00 0.00 ATOM 129 N LEU A 18 25.907 0.823 16.992 1.00 0.00 ATOM 130 CA LEU A 18 24.953 1.624 17.754 1.00 0.00 ATOM 131 CB LEU A 18 24.813 1.137 19.173 1.00 0.00 ATOM 132 CG LEU A 18 23.828 1.911 20.054 1.00 0.00 ATOM 133 CD1 LEU A 18 22.403 1.799 19.562 1.00 0.00 ATOM 134 CD2 LEU A 18 23.896 1.399 21.470 1.00 0.00 ATOM 135 O LEU A 18 24.668 3.989 17.630 1.00 0.00 ATOM 136 C LEU A 18 25.445 3.069 17.812 1.00 0.00 ATOM 137 N THR A 19 26.741 3.272 18.028 1.00 0.00 ATOM 138 CA THR A 19 27.288 4.626 18.121 1.00 0.00 ATOM 139 CB THR A 19 28.804 4.571 18.483 1.00 0.00 ATOM 140 CG2 THR A 19 29.380 5.967 18.495 1.00 0.00 ATOM 141 OG1 THR A 19 28.940 3.983 19.776 1.00 0.00 ATOM 142 O THR A 19 26.717 6.581 16.856 1.00 0.00 ATOM 143 C THR A 19 27.069 5.407 16.816 1.00 0.00 ATOM 144 N ALA A 20 27.282 4.762 15.666 1.00 0.00 ATOM 145 CA ALA A 20 27.098 5.431 14.380 1.00 0.00 ATOM 146 CB ALA A 20 27.653 4.574 13.243 1.00 0.00 ATOM 147 O ALA A 20 25.287 6.820 13.606 1.00 0.00 ATOM 148 C ALA A 20 25.630 5.739 14.113 1.00 0.00 ATOM 149 N ILE A 21 24.768 4.779 14.436 1.00 0.00 ATOM 150 CA ILE A 21 23.336 4.965 14.254 1.00 0.00 ATOM 151 CB ILE A 21 22.558 3.676 14.638 1.00 0.00 ATOM 152 CG1 ILE A 21 22.845 2.590 13.599 1.00 0.00 ATOM 153 CG2 ILE A 21 21.048 3.955 14.712 1.00 0.00 ATOM 154 CD1 ILE A 21 22.311 1.213 13.958 1.00 0.00 ATOM 155 O ILE A 21 22.017 6.938 14.635 1.00 0.00 ATOM 156 C ILE A 21 22.860 6.166 15.082 1.00 0.00 ATOM 157 N ILE A 22 23.431 6.314 16.275 1.00 0.00 ATOM 158 CA ILE A 22 23.071 7.448 17.169 1.00 0.00 ATOM 159 CB ILE A 22 23.621 7.184 18.577 1.00 0.00 ATOM 160 CG1 ILE A 22 22.849 6.044 19.244 1.00 0.00 ATOM 161 CG2 ILE A 22 23.612 8.487 19.426 1.00 0.00 ATOM 162 CD1 ILE A 22 23.565 5.481 20.513 1.00 0.00 ATOM 163 O ILE A 22 22.776 9.777 16.585 1.00 0.00 ATOM 164 C ILE A 22 23.540 8.760 16.538 1.00 0.00 ATOM 165 N LYS A 23 24.692 8.709 15.887 1.00 0.00 ATOM 166 CA LYS A 23 25.236 9.895 15.194 1.00 0.00 ATOM 167 CB LYS A 23 26.674 9.676 14.847 1.00 0.00 ATOM 168 CG LYS A 23 27.454 10.952 14.676 1.00 0.00 ATOM 169 CD LYS A 23 28.903 10.633 14.414 1.00 0.00 ATOM 170 CE LYS A 23 29.719 11.884 14.203 1.00 0.00 ATOM 171 NZ LYS A 23 31.140 11.530 13.961 1.00 0.00 ATOM 172 O LYS A 23 23.990 11.494 13.842 1.00 0.00 ATOM 173 C LYS A 23 24.283 10.295 14.058 1.00 0.00 ATOM 174 N MET A 24 23.787 9.304 13.312 1.00 0.00 ATOM 175 CA MET A 24 22.852 9.654 12.231 1.00 0.00 ATOM 176 CB MET A 24 22.568 8.426 11.377 1.00 0.00 ATOM 177 CG MET A 24 23.776 7.903 10.631 1.00 0.00 ATOM 178 SD MET A 24 23.388 6.359 9.771 1.00 0.00 ATOM 179 CE MET A 24 22.014 6.849 8.817 1.00 0.00 ATOM 180 O MET A 24 21.026 11.223 12.274 1.00 0.00 ATOM 181 C MET A 24 21.531 10.203 12.760 1.00 0.00 ATOM 182 N ALA A 25 20.963 9.516 13.741 1.00 0.00 ATOM 183 CA ALA A 25 19.689 9.952 14.292 1.00 0.00 ATOM 184 CB ALA A 25 19.200 8.919 15.313 1.00 0.00 ATOM 185 O ALA A 25 18.916 12.160 14.843 1.00 0.00 ATOM 186 C ALA A 25 19.810 11.320 14.958 1.00 0.00 ATOM 187 N LYS A 26 20.933 11.539 15.630 1.00 0.00 ATOM 188 CA LYS A 26 21.194 12.801 16.304 1.00 0.00 ATOM 189 CB LYS A 26 22.546 12.740 17.021 1.00 0.00 ATOM 190 CG LYS A 26 22.929 14.027 17.738 1.00 0.00 ATOM 191 CD LYS A 26 24.379 13.990 18.220 1.00 0.00 ATOM 192 CE LYS A 26 24.656 12.778 19.093 1.00 0.00 ATOM 193 NZ LYS A 26 26.105 12.662 19.452 1.00 0.00 ATOM 194 O LYS A 26 20.649 15.003 15.543 1.00 0.00 ATOM 195 C LYS A 26 21.221 13.945 15.297 1.00 0.00 ATOM 196 N SER A 27 21.859 13.717 14.148 1.00 0.00 ATOM 197 CA SER A 27 21.945 14.752 13.122 1.00 0.00 ATOM 198 CB SER A 27 22.821 14.296 11.942 1.00 0.00 ATOM 199 OG SER A 27 22.211 13.266 11.186 1.00 0.00 ATOM 200 O SER A 27 20.298 16.341 12.395 1.00 0.00 ATOM 201 C SER A 27 20.556 15.162 12.629 1.00 0.00 ATOM 202 N MET A 28 19.648 14.196 12.543 1.00 0.00 ATOM 203 CA MET A 28 18.292 14.469 12.085 1.00 0.00 ATOM 204 CB MET A 28 17.494 13.227 11.782 1.00 0.00 ATOM 205 CG MET A 28 18.035 12.527 10.574 1.00 0.00 ATOM 206 SD MET A 28 18.210 13.395 8.960 1.00 0.00 ATOM 207 CE MET A 28 19.953 13.811 9.215 1.00 0.00 ATOM 208 O MET A 28 16.764 16.163 12.799 1.00 0.00 ATOM 209 C MET A 28 17.470 15.220 13.130 1.00 0.00 ATOM 210 N VAL A 29 17.580 14.815 14.394 1.00 0.00 ATOM 211 CA VAL A 29 16.832 15.488 15.457 1.00 0.00 ATOM 212 CB VAL A 29 16.845 14.721 16.791 1.00 0.00 ATOM 213 CG1 VAL A 29 16.142 13.380 16.600 1.00 0.00 ATOM 214 CG2 VAL A 29 18.274 14.506 17.291 1.00 0.00 ATOM 215 O VAL A 29 16.571 17.820 15.972 1.00 0.00 ATOM 216 C VAL A 29 17.337 16.917 15.629 1.00 0.00 ATOM 217 N MET A 30 18.627 17.114 15.373 1.00 0.00 ATOM 218 CA MET A 30 19.226 18.439 15.463 1.00 0.00 ATOM 219 CB MET A 30 20.735 18.358 15.324 1.00 0.00 ATOM 220 CG MET A 30 21.405 17.680 16.508 1.00 0.00 ATOM 221 SD MET A 30 23.168 17.492 16.269 1.00 0.00 ATOM 222 CE MET A 30 23.718 17.178 17.961 1.00 0.00 ATOM 223 O MET A 30 18.275 20.438 14.608 1.00 0.00 ATOM 224 C MET A 30 18.636 19.304 14.361 1.00 0.00 ATOM 225 N ALA A 31 18.539 18.782 13.139 1.00 0.00 ATOM 226 CA ALA A 31 17.969 19.552 12.036 1.00 0.00 ATOM 227 CB ALA A 31 18.146 18.800 10.718 1.00 0.00 ATOM 228 O ALA A 31 16.082 21.025 11.915 1.00 0.00 ATOM 229 C ALA A 31 16.524 19.945 12.310 1.00 0.00 ATOM 230 N ASP A 32 15.783 19.023 12.966 1.00 0.00 ATOM 231 CA ASP A 32 14.379 19.251 13.298 1.00 0.00 ATOM 232 CB ASP A 32 13.644 18.049 13.729 1.00 0.00 ATOM 233 CG ASP A 32 13.482 17.037 12.612 1.00 0.00 ATOM 234 OD1 ASP A 32 13.757 17.393 11.438 1.00 0.00 ATOM 235 OD2 ASP A 32 13.071 15.891 12.904 1.00 0.00 ATOM 236 O ASP A 32 13.121 20.816 14.619 1.00 0.00 ATOM 237 C ASP A 32 14.227 20.341 14.356 1.00 0.00 ATOM 238 N GLY A 33 15.345 20.710 14.979 1.00 0.00 ATOM 239 CA GLY A 33 15.339 21.738 16.005 1.00 0.00 ATOM 240 O GLY A 33 14.530 22.085 18.236 1.00 0.00 ATOM 241 C GLY A 33 14.837 21.270 17.361 1.00 0.00 ATOM 242 N LYS A 34 14.761 19.966 17.584 1.00 0.00 ATOM 243 CA LYS A 34 14.288 19.433 18.853 1.00 0.00 ATOM 244 CB LYS A 34 13.423 18.216 18.601 1.00 0.00 ATOM 245 CG LYS A 34 12.123 18.636 17.874 1.00 0.00 ATOM 246 CD LYS A 34 11.147 17.475 17.698 1.00 0.00 ATOM 247 CE LYS A 34 10.022 17.847 16.733 1.00 0.00 ATOM 248 NZ LYS A 34 9.337 19.138 17.118 1.00 0.00 ATOM 249 O LYS A 34 15.258 18.700 20.919 1.00 0.00 ATOM 250 C LYS A 34 15.434 18.927 19.724 1.00 0.00 ATOM 251 N ILE A 35 16.568 18.735 19.148 1.00 0.00 ATOM 252 CA ILE A 35 17.718 18.266 19.908 1.00 0.00 ATOM 253 CB ILE A 35 18.072 16.787 19.533 1.00 0.00 ATOM 254 CG1 ILE A 35 16.913 15.836 19.879 1.00 0.00 ATOM 255 CG2 ILE A 35 19.365 16.337 20.248 1.00 0.00 ATOM 256 CD1 ILE A 35 16.660 15.710 21.337 1.00 0.00 ATOM 257 O ILE A 35 19.204 19.488 18.473 1.00 0.00 ATOM 258 C ILE A 35 18.943 19.125 19.626 1.00 0.00 ATOM 259 N LYS A 36 19.673 19.464 20.684 1.00 0.00 ATOM 260 CA LYS A 36 20.873 20.292 20.578 1.00 0.00 ATOM 261 CB LYS A 36 20.612 21.688 21.114 1.00 0.00 ATOM 262 CG LYS A 36 19.486 22.399 20.390 1.00 0.00 ATOM 263 CD LYS A 36 19.544 23.906 20.548 1.00 0.00 ATOM 264 CE LYS A 36 19.297 24.345 21.966 1.00 0.00 ATOM 265 NZ LYS A 36 19.233 25.837 22.021 1.00 0.00 ATOM 266 O LYS A 36 21.684 18.878 22.338 1.00 0.00 ATOM 267 C LYS A 36 21.962 19.702 21.466 1.00 0.00 ATOM 268 N PRO A 37 23.194 20.158 21.258 1.00 0.00 ATOM 269 CA PRO A 37 24.309 19.647 22.067 1.00 0.00 ATOM 270 CB PRO A 37 25.511 20.431 21.536 1.00 0.00 ATOM 271 CG PRO A 37 25.139 20.806 20.158 1.00 0.00 ATOM 272 CD PRO A 37 23.665 21.016 20.156 1.00 0.00 ATOM 273 O PRO A 37 24.361 18.986 24.370 1.00 0.00 ATOM 274 C PRO A 37 24.101 19.881 23.568 1.00 0.00 ATOM 275 N ALA A 38 23.636 21.063 23.949 1.00 0.00 ATOM 276 CA ALA A 38 23.423 21.370 25.357 1.00 0.00 ATOM 277 CB ALA A 38 23.121 22.846 25.542 1.00 0.00 ATOM 278 O ALA A 38 22.420 19.988 27.045 1.00 0.00 ATOM 279 C ALA A 38 22.306 20.514 25.947 1.00 0.00 ATOM 280 N GLU A 39 21.204 20.384 25.212 1.00 0.00 ATOM 281 CA GLU A 39 20.088 19.574 25.690 1.00 0.00 ATOM 282 CB GLU A 39 18.931 19.650 24.690 1.00 0.00 ATOM 283 CG GLU A 39 18.261 21.012 24.619 1.00 0.00 ATOM 284 CD GLU A 39 17.204 21.086 23.534 1.00 0.00 ATOM 285 OE1 GLU A 39 17.046 20.096 22.789 1.00 0.00 ATOM 286 OE2 GLU A 39 16.535 22.136 23.427 1.00 0.00 ATOM 287 O GLU A 39 20.164 17.447 26.814 1.00 0.00 ATOM 288 C GLU A 39 20.519 18.109 25.830 1.00 0.00 ATOM 289 N ILE A 40 21.289 17.636 24.864 1.00 0.00 ATOM 290 CA ILE A 40 21.763 16.251 24.905 1.00 0.00 ATOM 291 CB ILE A 40 22.575 15.912 23.638 1.00 0.00 ATOM 292 CG1 ILE A 40 21.657 15.877 22.414 1.00 0.00 ATOM 293 CG2 ILE A 40 23.242 14.556 23.779 1.00 0.00 ATOM 294 CD1 ILE A 40 22.401 15.822 21.097 1.00 0.00 ATOM 295 O ILE A 40 22.512 15.058 26.852 1.00 0.00 ATOM 296 C ILE A 40 22.646 16.065 26.122 1.00 0.00 ATOM 297 N ALA A 41 23.597 17.011 26.302 1.00 0.00 ATOM 298 CA ALA A 41 24.522 16.930 27.435 1.00 0.00 ATOM 299 CB ALA A 41 25.487 18.112 27.463 1.00 0.00 ATOM 300 O ALA A 41 24.062 16.103 29.650 1.00 0.00 ATOM 301 C ALA A 41 23.786 16.924 28.770 1.00 0.00 ATOM 302 N VAL A 42 22.825 17.819 28.931 1.00 0.00 ATOM 303 CA VAL A 42 22.024 17.880 30.156 1.00 0.00 ATOM 304 CB VAL A 42 21.035 19.063 30.172 1.00 0.00 ATOM 305 CG1 VAL A 42 20.105 18.963 31.370 1.00 0.00 ATOM 306 CG2 VAL A 42 21.786 20.382 30.253 1.00 0.00 ATOM 307 O VAL A 42 21.117 16.079 31.455 1.00 0.00 ATOM 308 C VAL A 42 21.212 16.602 30.342 1.00 0.00 ATOM 309 N MET A 43 20.643 16.097 29.253 1.00 0.00 ATOM 310 CA MET A 43 19.842 14.877 29.302 1.00 0.00 ATOM 311 CB MET A 43 19.242 14.576 27.927 1.00 0.00 ATOM 312 CG MET A 43 18.399 13.311 27.882 1.00 0.00 ATOM 313 SD MET A 43 17.768 12.955 26.230 1.00 0.00 ATOM 314 CE MET A 43 19.265 12.423 25.405 1.00 0.00 ATOM 315 O MET A 43 20.287 12.894 30.583 1.00 0.00 ATOM 316 C MET A 43 20.694 13.685 29.729 1.00 0.00 ATOM 317 N THR A 44 21.871 13.546 29.124 1.00 0.00 ATOM 318 CA THR A 44 22.761 12.443 29.461 1.00 0.00 ATOM 319 CB THR A 44 24.037 12.470 28.602 1.00 0.00 ATOM 320 CG2 THR A 44 24.919 11.292 28.879 1.00 0.00 ATOM 321 OG1 THR A 44 23.674 12.270 27.213 1.00 0.00 ATOM 322 O THR A 44 23.199 11.557 31.660 1.00 0.00 ATOM 323 C THR A 44 23.192 12.553 30.929 1.00 0.00 ATOM 324 N ARG A 45 23.507 13.755 31.353 1.00 0.00 ATOM 325 CA ARG A 45 23.904 13.970 32.743 1.00 0.00 ATOM 326 CB ARG A 45 24.432 15.363 32.930 1.00 0.00 ATOM 327 CG ARG A 45 25.725 15.621 32.197 1.00 0.00 ATOM 328 CD ARG A 45 26.314 16.948 32.603 1.00 0.00 ATOM 329 NE ARG A 45 27.665 17.184 32.116 1.00 0.00 ATOM 330 CZ ARG A 45 28.021 17.770 30.976 1.00 0.00 ATOM 331 NH1 ARG A 45 27.115 18.125 30.100 1.00 0.00 ATOM 332 NH2 ARG A 45 29.308 17.954 30.734 1.00 0.00 ATOM 333 O ARG A 45 22.976 13.146 34.783 1.00 0.00 ATOM 334 C ARG A 45 22.757 13.673 33.703 1.00 0.00 ATOM 335 N GLU A 46 21.531 14.000 33.303 1.00 0.00 ATOM 336 CA GLU A 46 20.377 13.667 34.130 1.00 0.00 ATOM 337 CB GLU A 46 19.123 14.135 33.528 1.00 0.00 ATOM 338 CG GLU A 46 17.951 13.965 34.391 1.00 0.00 ATOM 339 CD GLU A 46 16.698 14.631 33.874 1.00 0.00 ATOM 340 OE1 GLU A 46 16.722 15.213 32.783 1.00 0.00 ATOM 341 OE2 GLU A 46 15.699 14.592 34.613 1.00 0.00 ATOM 342 O GLU A 46 20.012 11.654 35.398 1.00 0.00 ATOM 343 C GLU A 46 20.240 12.155 34.293 1.00 0.00 ATOM 344 N PHE A 47 20.380 11.423 33.174 1.00 0.00 ATOM 345 CA PHE A 47 20.263 9.971 33.257 1.00 0.00 ATOM 346 CB PHE A 47 20.277 9.378 31.822 1.00 0.00 ATOM 347 CG PHE A 47 20.107 7.884 31.767 1.00 0.00 ATOM 348 CD1 PHE A 47 18.863 7.305 31.931 1.00 0.00 ATOM 349 CD2 PHE A 47 21.191 7.057 31.542 1.00 0.00 ATOM 350 CE1 PHE A 47 18.705 5.920 31.877 1.00 0.00 ATOM 351 CE2 PHE A 47 21.030 5.680 31.484 1.00 0.00 ATOM 352 CZ PHE A 47 19.789 5.115 31.654 1.00 0.00 ATOM 353 O PHE A 47 21.148 8.456 34.913 1.00 0.00 ATOM 354 C PHE A 47 21.378 9.381 34.130 1.00 0.00 ATOM 355 N MET A 48 22.618 9.907 34.026 1.00 0.00 ATOM 356 CA MET A 48 23.701 9.417 34.830 1.00 0.00 ATOM 357 CB MET A 48 25.010 10.078 34.467 1.00 0.00 ATOM 358 CG MET A 48 25.556 9.646 33.097 1.00 0.00 ATOM 359 SD MET A 48 25.487 7.889 32.803 1.00 0.00 ATOM 360 CE MET A 48 26.464 7.266 34.168 1.00 0.00 ATOM 361 O MET A 48 23.774 8.824 37.148 1.00 0.00 ATOM 362 C MET A 48 23.458 9.673 36.315 1.00 0.00 ATOM 363 N ARG A 49 22.836 10.810 36.630 1.00 0.00 ATOM 364 CA ARG A 49 22.521 11.134 38.024 1.00 0.00 ATOM 365 CB ARG A 49 21.954 12.574 38.095 1.00 0.00 ATOM 366 CG ARG A 49 21.858 13.087 39.553 1.00 0.00 ATOM 367 CD ARG A 49 20.931 14.271 39.769 1.00 0.00 ATOM 368 NE ARG A 49 21.081 15.275 38.731 1.00 0.00 ATOM 369 CZ ARG A 49 20.140 15.616 37.840 1.00 0.00 ATOM 370 NH1 ARG A 49 18.926 15.055 37.876 1.00 0.00 ATOM 371 NH2 ARG A 49 20.417 16.533 36.919 1.00 0.00 ATOM 372 O ARG A 49 21.640 9.692 39.742 1.00 0.00 ATOM 373 C ARG A 49 21.523 10.126 38.570 1.00 0.00 ATOM 374 N PHE A 50 20.524 9.726 37.766 1.00 0.00 ATOM 375 CA PHE A 50 19.583 8.729 38.244 1.00 0.00 ATOM 376 CB PHE A 50 18.457 8.607 37.216 1.00 0.00 ATOM 377 CG PHE A 50 17.559 9.810 37.153 1.00 0.00 ATOM 378 CD1 PHE A 50 17.542 10.733 38.186 1.00 0.00 ATOM 379 CD2 PHE A 50 16.733 10.019 36.062 1.00 0.00 ATOM 380 CE1 PHE A 50 16.717 11.840 38.128 1.00 0.00 ATOM 381 CE2 PHE A 50 15.907 11.128 36.006 1.00 0.00 ATOM 382 CZ PHE A 50 15.897 12.035 37.034 1.00 0.00 ATOM 383 O PHE A 50 20.095 6.673 39.383 1.00 0.00 ATOM 384 C PHE A 50 20.337 7.413 38.434 1.00 0.00 ATOM 385 N GLY A 51 21.267 7.110 37.514 1.00 0.00 ATOM 386 CA GLY A 51 22.038 5.885 37.662 1.00 0.00 ATOM 387 O GLY A 51 22.811 4.879 39.693 1.00 0.00 ATOM 388 C GLY A 51 22.803 5.878 38.972 1.00 0.00 ATOM 389 N ILE A 52 23.449 6.997 39.289 1.00 0.00 ATOM 390 CA ILE A 52 24.212 7.127 40.524 1.00 0.00 ATOM 391 CB ILE A 52 25.027 8.478 40.503 1.00 0.00 ATOM 392 CG1 ILE A 52 26.180 8.366 39.516 1.00 0.00 ATOM 393 CG2 ILE A 52 25.427 8.923 41.879 1.00 0.00 ATOM 394 CD1 ILE A 52 26.850 9.721 39.306 1.00 0.00 ATOM 395 O ILE A 52 23.725 6.397 42.758 1.00 0.00 ATOM 396 C ILE A 52 23.320 6.978 41.752 1.00 0.00 ATOM 397 N LEU A 53 22.106 7.510 41.665 1.00 0.00 ATOM 398 CA LEU A 53 21.140 7.397 42.747 1.00 0.00 ATOM 399 CB LEU A 53 19.848 8.134 42.392 1.00 0.00 ATOM 400 CG LEU A 53 19.927 9.662 42.352 1.00 0.00 ATOM 401 CD1 LEU A 53 18.634 10.253 41.813 1.00 0.00 ATOM 402 CD2 LEU A 53 20.162 10.223 43.745 1.00 0.00 ATOM 403 O LEU A 53 20.720 5.502 44.160 1.00 0.00 ATOM 404 C LEU A 53 20.800 5.933 43.011 1.00 0.00 ATOM 405 N GLN A 54 20.635 5.168 41.937 1.00 0.00 ATOM 406 CA GLN A 54 20.338 3.745 42.049 1.00 0.00 ATOM 407 CB GLN A 54 20.118 3.134 40.664 1.00 0.00 ATOM 408 CG GLN A 54 19.684 1.679 40.691 1.00 0.00 ATOM 409 CD GLN A 54 18.335 1.485 41.356 1.00 0.00 ATOM 410 OE1 GLN A 54 17.386 2.217 41.079 1.00 0.00 ATOM 411 NE2 GLN A 54 18.247 0.494 42.235 1.00 0.00 ATOM 412 O GLN A 54 21.287 2.190 43.629 1.00 0.00 ATOM 413 C GLN A 54 21.500 3.028 42.742 1.00 0.00 ATOM 414 N ASP A 55 22.719 3.354 42.337 1.00 0.00 ATOM 415 CA ASP A 55 23.890 2.737 42.970 1.00 0.00 ATOM 416 CB ASP A 55 25.162 3.243 42.286 1.00 0.00 ATOM 417 CG ASP A 55 25.347 2.660 40.897 1.00 0.00 ATOM 418 OD1 ASP A 55 24.630 1.697 40.557 1.00 0.00 ATOM 419 OD2 ASP A 55 26.209 3.170 40.151 1.00 0.00 ATOM 420 O ASP A 55 24.287 2.282 45.287 1.00 0.00 ATOM 421 C ASP A 55 23.971 3.119 44.448 1.00 0.00 ATOM 422 N GLN A 56 23.664 4.367 44.772 1.00 0.00 ATOM 423 CA GLN A 56 23.721 4.781 46.173 1.00 0.00 ATOM 424 CB GLN A 56 23.482 6.267 46.295 1.00 0.00 ATOM 425 CG GLN A 56 24.647 7.046 45.681 1.00 0.00 ATOM 426 CD GLN A 56 24.500 8.533 45.697 1.00 0.00 ATOM 427 OE1 GLN A 56 23.382 9.093 45.699 1.00 0.00 ATOM 428 NE2 GLN A 56 25.635 9.232 45.640 1.00 0.00 ATOM 429 O GLN A 56 22.991 3.592 48.123 1.00 0.00 ATOM 430 C GLN A 56 22.691 4.047 47.018 1.00 0.00 ATOM 431 N VAL A 57 21.469 3.926 46.507 1.00 0.00 ATOM 432 CA VAL A 57 20.412 3.233 47.229 1.00 0.00 ATOM 433 CB VAL A 57 18.980 3.482 46.650 1.00 0.00 ATOM 434 CG1 VAL A 57 18.632 4.971 46.727 1.00 0.00 ATOM 435 CG2 VAL A 57 18.819 2.900 45.244 1.00 0.00 ATOM 436 O VAL A 57 20.345 1.157 48.434 1.00 0.00 ATOM 437 C VAL A 57 20.659 1.738 47.394 1.00 0.00 ATOM 438 N ASP A 58 21.220 1.121 46.354 1.00 0.00 ATOM 439 CA ASP A 58 21.553 -0.293 46.412 1.00 0.00 ATOM 440 CB ASP A 58 21.921 -0.816 45.024 1.00 0.00 ATOM 441 CG ASP A 58 20.738 -0.818 44.078 1.00 0.00 ATOM 442 OD1 ASP A 58 19.616 -1.112 44.543 1.00 0.00 ATOM 443 OD2 ASP A 58 20.924 -0.536 42.877 1.00 0.00 ATOM 444 O ASP A 58 22.705 -1.504 48.128 1.00 0.00 ATOM 445 C ASP A 58 22.680 -0.504 47.412 1.00 0.00 ATOM 446 N LEU A 59 23.618 0.455 47.460 1.00 0.00 ATOM 447 CA LEU A 59 24.728 0.375 48.400 1.00 0.00 ATOM 448 CB LEU A 59 25.748 1.478 48.095 1.00 0.00 ATOM 449 CG LEU A 59 26.495 1.336 46.762 1.00 0.00 ATOM 450 CD1 LEU A 59 27.288 2.598 46.462 1.00 0.00 ATOM 451 CD2 LEU A 59 27.414 0.131 46.822 1.00 0.00 ATOM 452 O LEU A 59 24.617 -0.272 50.711 1.00 0.00 ATOM 453 C LEU A 59 24.199 0.478 49.832 1.00 0.00 ATOM 454 N LEU A 60 23.273 1.406 50.061 1.00 0.00 ATOM 455 CA LEU A 60 22.685 1.578 51.387 1.00 0.00 ATOM 456 CB LEU A 60 21.776 2.810 51.327 1.00 0.00 ATOM 457 CG LEU A 60 20.911 3.073 52.540 1.00 0.00 ATOM 458 CD1 LEU A 60 21.751 3.284 53.848 1.00 0.00 ATOM 459 CD2 LEU A 60 19.987 4.263 52.232 1.00 0.00 ATOM 460 O LEU A 60 22.032 -0.121 52.946 1.00 0.00 ATOM 461 C LEU A 60 21.957 0.306 51.798 1.00 0.00 ATOM 462 N LEU A 61 21.254 -0.286 50.838 1.00 0.00 ATOM 463 CA LEU A 61 20.509 -1.523 51.091 1.00 0.00 ATOM 464 CB LEU A 61 19.601 -1.869 49.880 1.00 0.00 ATOM 465 CG LEU A 61 18.821 -3.189 49.978 1.00 0.00 ATOM 466 CD1 LEU A 61 17.912 -3.255 51.207 1.00 0.00 ATOM 467 CD2 LEU A 61 18.035 -3.396 48.712 1.00 0.00 ATOM 468 O LEU A 61 21.260 -3.413 52.387 1.00 0.00 ATOM 469 C LEU A 61 21.498 -2.633 51.463 1.00 0.00 ATOM 470 N LYS A 62 22.593 -2.728 50.740 1.00 0.00 ATOM 471 CA LYS A 62 23.575 -3.753 51.054 1.00 0.00 ATOM 472 CB LYS A 62 24.663 -3.838 49.966 1.00 0.00 ATOM 473 CG LYS A 62 24.248 -4.638 48.772 1.00 0.00 ATOM 474 CD LYS A 62 25.206 -4.508 47.588 1.00 0.00 ATOM 475 CE LYS A 62 24.695 -5.147 46.303 1.00 0.00 ATOM 476 NZ LYS A 62 25.643 -4.992 45.189 1.00 0.00 ATOM 477 O LYS A 62 24.510 -4.485 53.112 1.00 0.00 ATOM 478 C LYS A 62 24.240 -3.531 52.393 1.00 0.00 ATOM 479 N ALA A 63 24.500 -2.293 52.744 1.00 0.00 ATOM 480 CA ALA A 63 25.197 -1.973 53.987 1.00 0.00 ATOM 481 CB ALA A 63 25.915 -0.627 53.796 1.00 0.00 ATOM 482 O ALA A 63 24.688 -1.711 56.316 1.00 0.00 ATOM 483 C ALA A 63 24.252 -1.857 55.183 1.00 0.00 ATOM 484 N SER A 64 22.977 -1.929 54.954 1.00 0.00 ATOM 485 CA SER A 64 22.021 -1.806 56.035 1.00 0.00 ATOM 486 CB SER A 64 21.250 -0.556 55.825 1.00 0.00 ATOM 487 OG SER A 64 20.291 -0.387 56.840 1.00 0.00 ATOM 488 O SER A 64 20.263 -3.065 55.017 1.00 0.00 ATOM 489 C SER A 64 21.038 -2.967 55.964 1.00 0.00 ATOM 490 N ASP A 65 21.075 -3.773 56.961 1.00 0.00 ATOM 491 CA ASP A 65 20.117 -4.880 56.997 1.00 0.00 ATOM 492 CB ASP A 65 20.581 -6.022 57.902 1.00 0.00 ATOM 493 CG ASP A 65 20.854 -5.568 59.322 1.00 0.00 ATOM 494 OD1 ASP A 65 20.695 -4.363 59.600 1.00 0.00 ATOM 495 OD2 ASP A 65 21.229 -6.419 60.157 1.00 0.00 ATOM 496 O ASP A 65 18.055 -5.009 58.217 1.00 0.00 ATOM 497 C ASP A 65 18.838 -4.298 57.588 1.00 0.00 ATOM 498 N SER A 66 18.627 -2.951 57.304 1.00 0.00 ATOM 499 CA SER A 66 17.441 -2.272 57.810 1.00 0.00 ATOM 500 CB SER A 66 17.751 -0.806 58.117 1.00 0.00 ATOM 501 OG SER A 66 16.582 -0.108 58.508 1.00 0.00 ATOM 502 O SER A 66 16.493 -1.849 55.643 1.00 0.00 ATOM 503 C SER A 66 16.306 -2.254 56.796 1.00 0.00 ATOM 504 N ILE A 67 15.127 -2.734 57.238 1.00 0.00 ATOM 505 CA ILE A 67 13.954 -2.763 56.370 1.00 0.00 ATOM 506 CB ILE A 67 12.770 -3.458 57.067 1.00 0.00 ATOM 507 CG1 ILE A 67 13.069 -4.944 57.273 1.00 0.00 ATOM 508 CG2 ILE A 67 11.509 -3.332 56.226 1.00 0.00 ATOM 509 CD1 ILE A 67 12.079 -5.646 58.177 1.00 0.00 ATOM 510 O ILE A 67 13.079 -1.142 54.832 1.00 0.00 ATOM 511 C ILE A 67 13.525 -1.359 55.959 1.00 0.00 ATOM 512 N GLU A 68 13.660 -0.411 56.880 1.00 0.00 ATOM 513 CA GLU A 68 13.295 0.976 56.613 1.00 0.00 ATOM 514 CB GLU A 68 13.502 1.784 57.919 1.00 0.00 ATOM 515 CG GLU A 68 12.540 1.431 59.040 1.00 0.00 ATOM 516 CD GLU A 68 13.033 0.330 59.967 1.00 0.00 ATOM 517 OE1 GLU A 68 13.983 -0.398 59.666 1.00 0.00 ATOM 518 OE2 GLU A 68 12.427 0.207 61.071 1.00 0.00 ATOM 519 O GLU A 68 13.616 2.211 54.567 1.00 0.00 ATOM 520 C GLU A 68 14.140 1.554 55.487 1.00 0.00 ATOM 521 N ALA A 69 15.426 1.288 55.536 1.00 0.00 ATOM 522 CA ALA A 69 16.365 1.773 54.513 1.00 0.00 ATOM 523 CB ALA A 69 17.804 1.552 54.953 1.00 0.00 ATOM 524 O ALA A 69 16.112 1.690 52.125 1.00 0.00 ATOM 525 C ALA A 69 16.180 1.057 53.181 1.00 0.00 ATOM 526 N SER A 70 16.143 -0.270 53.229 1.00 0.00 ATOM 527 CA SER A 70 15.793 -1.069 52.059 1.00 0.00 ATOM 528 CB SER A 70 15.783 -2.557 52.416 1.00 0.00 ATOM 529 OG SER A 70 14.761 -2.849 53.354 1.00 0.00 ATOM 530 O SER A 70 14.164 -0.497 50.357 1.00 0.00 ATOM 531 C SER A 70 14.408 -0.602 51.560 1.00 0.00 ATOM 532 N GLN A 71 13.504 -0.298 52.480 1.00 0.00 ATOM 533 CA GLN A 71 12.180 0.150 52.074 1.00 0.00 ATOM 534 CB GLN A 71 11.292 0.461 53.217 1.00 0.00 ATOM 535 CG GLN A 71 10.410 -0.695 53.585 1.00 0.00 ATOM 536 CD GLN A 71 9.284 -0.233 54.478 1.00 0.00 ATOM 537 OE1 GLN A 71 9.522 0.215 55.598 1.00 0.00 ATOM 538 NE2 GLN A 71 8.050 -0.307 53.975 1.00 0.00 ATOM 539 O GLN A 71 11.646 1.749 50.374 1.00 0.00 ATOM 540 C GLN A 71 12.265 1.521 51.411 1.00 0.00 ATOM 541 N ALA A 72 13.101 2.375 51.940 1.00 0.00 ATOM 542 CA ALA A 72 13.260 3.718 51.391 1.00 0.00 ATOM 543 CB ALA A 72 14.130 4.549 52.323 1.00 0.00 ATOM 544 O ALA A 72 13.369 4.344 49.082 1.00 0.00 ATOM 545 C ALA A 72 13.864 3.674 50.003 1.00 0.00 ATOM 546 N VAL A 73 14.893 2.890 49.879 1.00 0.00 ATOM 547 CA VAL A 73 15.560 2.787 48.594 1.00 0.00 ATOM 548 CB VAL A 73 16.884 2.000 48.637 1.00 0.00 ATOM 549 CG1 VAL A 73 17.837 2.619 49.647 1.00 0.00 ATOM 550 CG2 VAL A 73 16.632 0.555 49.041 1.00 0.00 ATOM 551 O VAL A 73 14.793 2.507 46.336 1.00 0.00 ATOM 552 C VAL A 73 14.700 2.147 47.509 1.00 0.00 ATOM 553 N ALA A 74 13.897 1.165 47.902 1.00 0.00 ATOM 554 CA ALA A 74 12.969 0.517 46.983 1.00 0.00 ATOM 555 CB ALA A 74 12.122 -0.508 47.717 1.00 0.00 ATOM 556 O ALA A 74 11.698 1.582 45.257 1.00 0.00 ATOM 557 C ALA A 74 12.042 1.598 46.423 1.00 0.00 ATOM 558 N LEU A 75 11.703 2.535 47.300 1.00 0.00 ATOM 559 CA LEU A 75 10.888 3.648 46.833 1.00 0.00 ATOM 560 CB LEU A 75 10.459 4.451 48.112 1.00 0.00 ATOM 561 CG LEU A 75 9.595 5.692 47.800 1.00 0.00 ATOM 562 CD1 LEU A 75 8.254 5.296 47.220 1.00 0.00 ATOM 563 CD2 LEU A 75 9.433 6.535 49.045 1.00 0.00 ATOM 564 O LEU A 75 10.954 4.884 44.840 1.00 0.00 ATOM 565 C LEU A 75 11.582 4.496 45.849 1.00 0.00 ATOM 566 N ILE A 76 12.831 4.815 46.075 1.00 0.00 ATOM 567 CA ILE A 76 13.608 5.591 45.188 1.00 0.00 ATOM 568 CB ILE A 76 15.002 5.806 45.775 1.00 0.00 ATOM 569 CG1 ILE A 76 14.854 6.573 47.096 1.00 0.00 ATOM 570 CG2 ILE A 76 15.895 6.555 44.760 1.00 0.00 ATOM 571 CD1 ILE A 76 16.138 6.819 47.860 1.00 0.00 ATOM 572 O ILE A 76 13.600 5.614 42.802 1.00 0.00 ATOM 573 C ILE A 76 13.697 4.931 43.814 1.00 0.00 ATOM 574 N ALA A 77 13.905 3.617 43.784 1.00 0.00 ATOM 575 CA ALA A 77 13.994 2.898 42.511 1.00 0.00 ATOM 576 CB ALA A 77 14.353 1.430 42.734 1.00 0.00 ATOM 577 O ALA A 77 12.726 3.034 40.478 1.00 0.00 ATOM 578 C ALA A 77 12.701 2.997 41.710 1.00 0.00 ATOM 579 N ARG A 78 11.560 2.971 42.396 1.00 0.00 ATOM 580 CA ARG A 78 10.277 3.138 41.715 1.00 0.00 ATOM 581 CB ARG A 78 9.122 3.143 42.695 1.00 0.00 ATOM 582 CG ARG A 78 7.762 3.326 42.031 1.00 0.00 ATOM 583 CD ARG A 78 6.618 2.926 42.949 1.00 0.00 ATOM 584 NE ARG A 78 6.619 1.487 43.210 1.00 0.00 ATOM 585 CZ ARG A 78 5.679 0.849 43.894 1.00 0.00 ATOM 586 NH1 ARG A 78 5.768 -0.464 44.078 1.00 0.00 ATOM 587 NH2 ARG A 78 4.645 1.515 44.394 1.00 0.00 ATOM 588 O ARG A 78 9.899 4.538 39.793 1.00 0.00 ATOM 589 C ARG A 78 10.239 4.476 40.980 1.00 0.00 ATOM 590 N MET A 79 10.625 5.548 41.654 1.00 0.00 ATOM 591 CA MET A 79 10.600 6.872 41.043 1.00 0.00 ATOM 592 CB MET A 79 10.933 7.906 42.093 1.00 0.00 ATOM 593 CG MET A 79 9.986 7.970 43.215 1.00 0.00 ATOM 594 SD MET A 79 8.412 8.670 42.770 1.00 0.00 ATOM 595 CE MET A 79 8.654 9.395 41.562 1.00 0.00 ATOM 596 O MET A 79 11.412 7.697 38.951 1.00 0.00 ATOM 597 C MET A 79 11.643 7.011 39.940 1.00 0.00 ATOM 598 N ASP A 80 12.757 6.247 40.306 1.00 0.00 ATOM 599 CA ASP A 80 13.893 6.216 39.390 1.00 0.00 ATOM 600 CB ASP A 80 15.059 5.481 40.055 1.00 0.00 ATOM 601 CG ASP A 80 15.679 6.275 41.189 1.00 0.00 ATOM 602 OD1 ASP A 80 15.374 7.481 41.305 1.00 0.00 ATOM 603 OD2 ASP A 80 16.467 5.692 41.964 1.00 0.00 ATOM 604 O ASP A 80 14.006 6.048 37.002 1.00 0.00 ATOM 605 C ASP A 80 13.547 5.589 38.050 1.00 0.00 ATOM 606 N GLU A 81 12.726 4.539 38.102 1.00 0.00 ATOM 607 CA GLU A 81 12.304 3.824 36.894 1.00 0.00 ATOM 608 CB GLU A 81 11.442 2.614 37.255 1.00 0.00 ATOM 609 CG GLU A 81 12.200 1.497 37.956 1.00 0.00 ATOM 610 CD GLU A 81 11.296 0.357 38.378 1.00 0.00 ATOM 611 OE1 GLU A 81 10.066 0.466 38.180 1.00 0.00 ATOM 612 OE2 GLU A 81 11.816 -0.648 38.908 1.00 0.00 ATOM 613 O GLU A 81 11.687 4.677 34.740 1.00 0.00 ATOM 614 C GLU A 81 11.503 4.726 35.951 1.00 0.00 ATOM 615 N GLU A 82 10.642 5.546 36.528 1.00 0.00 ATOM 616 CA GLU A 82 9.866 6.505 35.742 1.00 0.00 ATOM 617 CB GLU A 82 8.891 7.265 36.645 1.00 0.00 ATOM 618 CG GLU A 82 7.779 6.402 37.222 1.00 0.00 ATOM 619 CD GLU A 82 6.909 7.158 38.207 1.00 0.00 ATOM 620 OE1 GLU A 82 7.216 8.334 38.492 1.00 0.00 ATOM 621 OE2 GLU A 82 5.918 6.574 38.692 1.00 0.00 ATOM 622 O GLU A 82 10.467 7.866 33.857 1.00 0.00 ATOM 623 C GLU A 82 10.720 7.540 35.017 1.00 0.00 ATOM 624 N ARG A 83 11.746 8.038 35.702 1.00 0.00 ATOM 625 CA ARG A 83 12.634 9.041 35.128 1.00 0.00 ATOM 626 CB ARG A 83 13.659 9.499 36.144 1.00 0.00 ATOM 627 CG ARG A 83 13.046 10.258 37.254 1.00 0.00 ATOM 628 CD ARG A 83 13.983 10.230 38.425 1.00 0.00 ATOM 629 NE ARG A 83 13.437 10.961 39.562 1.00 0.00 ATOM 630 CZ ARG A 83 14.031 11.018 40.747 1.00 0.00 ATOM 631 NH1 ARG A 83 13.427 11.664 41.750 1.00 0.00 ATOM 632 NH2 ARG A 83 15.236 10.456 40.912 1.00 0.00 ATOM 633 O ARG A 83 13.331 9.180 32.836 1.00 0.00 ATOM 634 C ARG A 83 13.309 8.510 33.869 1.00 0.00 ATOM 635 N LYS A 84 13.873 7.312 33.977 1.00 0.00 ATOM 636 CA LYS A 84 14.535 6.682 32.844 1.00 0.00 ATOM 637 CB LYS A 84 15.168 5.330 33.293 1.00 0.00 ATOM 638 CG LYS A 84 16.233 5.472 34.395 1.00 0.00 ATOM 639 CD LYS A 84 17.036 4.120 34.695 1.00 0.00 ATOM 640 CE LYS A 84 18.207 4.440 35.715 1.00 0.00 ATOM 641 NZ LYS A 84 18.737 3.196 36.449 1.00 0.00 ATOM 642 O LYS A 84 13.940 6.602 30.517 1.00 0.00 ATOM 643 C LYS A 84 13.581 6.422 31.681 1.00 0.00 ATOM 644 N LYS A 85 12.352 6.042 32.011 1.00 0.00 ATOM 645 CA LYS A 85 11.361 5.713 30.993 1.00 0.00 ATOM 646 CB LYS A 85 10.063 5.233 31.645 1.00 0.00 ATOM 647 CG LYS A 85 8.984 4.826 30.653 1.00 0.00 ATOM 648 CD LYS A 85 7.750 4.297 31.369 1.00 0.00 ATOM 649 CE LYS A 85 6.654 3.936 30.382 1.00 0.00 ATOM 650 NZ LYS A 85 5.431 3.435 31.066 1.00 0.00 ATOM 651 O LYS A 85 10.994 6.848 28.919 1.00 0.00 ATOM 652 C LYS A 85 11.045 6.947 30.140 1.00 0.00 ATOM 653 N TYR A 86 10.838 8.064 30.788 1.00 0.00 ATOM 654 CA TYR A 86 10.527 9.299 30.063 1.00 0.00 ATOM 655 CB TYR A 86 10.247 10.433 31.051 1.00 0.00 ATOM 656 CG TYR A 86 9.917 11.753 30.391 1.00 0.00 ATOM 657 CD1 TYR A 86 8.654 11.989 29.864 1.00 0.00 ATOM 658 CD2 TYR A 86 10.871 12.759 30.299 1.00 0.00 ATOM 659 CE1 TYR A 86 8.345 13.194 29.260 1.00 0.00 ATOM 660 CE2 TYR A 86 10.578 13.970 29.699 1.00 0.00 ATOM 661 CZ TYR A 86 9.304 14.180 29.177 1.00 0.00 ATOM 662 OH TYR A 86 8.997 15.378 28.576 1.00 0.00 ATOM 663 O TYR A 86 11.419 10.012 27.978 1.00 0.00 ATOM 664 C TYR A 86 11.666 9.665 29.129 1.00 0.00 ATOM 665 N VAL A 87 12.898 9.521 29.601 1.00 0.00 ATOM 666 CA VAL A 87 14.076 9.883 28.797 1.00 0.00 ATOM 667 CB VAL A 87 15.399 9.718 29.570 1.00 0.00 ATOM 668 CG1 VAL A 87 16.586 9.914 28.641 1.00 0.00 ATOM 669 CG2 VAL A 87 15.492 10.742 30.690 1.00 0.00 ATOM 670 O VAL A 87 14.399 9.403 26.463 1.00 0.00 ATOM 671 C VAL A 87 14.124 8.965 27.579 1.00 0.00 ATOM 672 N ALA A 88 13.885 7.653 27.792 1.00 0.00 ATOM 673 CA ALA A 88 13.905 6.685 26.701 1.00 0.00 ATOM 674 CB ALA A 88 13.564 5.295 27.221 1.00 0.00 ATOM 675 O ALA A 88 13.100 6.899 24.435 1.00 0.00 ATOM 676 C ALA A 88 12.857 7.043 25.648 1.00 0.00 ATOM 677 N SER A 89 11.713 7.502 26.122 1.00 0.00 ATOM 678 CA SER A 89 10.626 7.872 25.226 1.00 0.00 ATOM 679 CB SER A 89 9.391 8.299 26.022 1.00 0.00 ATOM 680 OG SER A 89 8.832 7.201 26.723 1.00 0.00 ATOM 681 O SER A 89 10.767 9.111 23.231 1.00 0.00 ATOM 682 C SER A 89 11.059 9.021 24.397 1.00 0.00 ATOM 683 N TYR A 90 11.778 9.914 25.015 1.00 0.00 ATOM 684 CA TYR A 90 12.222 11.081 24.280 1.00 0.00 ATOM 685 CB TYR A 90 12.902 12.035 25.269 1.00 0.00 ATOM 686 CG TYR A 90 13.285 13.369 24.698 1.00 0.00 ATOM 687 CD1 TYR A 90 12.364 14.419 24.665 1.00 0.00 ATOM 688 CD2 TYR A 90 14.589 13.624 24.265 1.00 0.00 ATOM 689 CE1 TYR A 90 12.736 15.689 24.235 1.00 0.00 ATOM 690 CE2 TYR A 90 14.970 14.895 23.830 1.00 0.00 ATOM 691 CZ TYR A 90 14.031 15.915 23.822 1.00 0.00 ATOM 692 OH TYR A 90 14.376 17.168 23.400 1.00 0.00 ATOM 693 O TYR A 90 13.044 11.244 22.031 1.00 0.00 ATOM 694 C TYR A 90 13.171 10.730 23.149 1.00 0.00 ATOM 695 N LEU A 91 14.107 9.879 23.442 1.00 0.00 ATOM 696 CA LEU A 91 15.102 9.447 22.456 1.00 0.00 ATOM 697 CB LEU A 91 16.191 8.615 23.142 1.00 0.00 ATOM 698 CG LEU A 91 17.201 9.374 23.997 1.00 0.00 ATOM 699 CD1 LEU A 91 18.094 8.378 24.718 1.00 0.00 ATOM 700 CD2 LEU A 91 18.032 10.298 23.118 1.00 0.00 ATOM 701 O LEU A 91 14.809 8.774 20.175 1.00 0.00 ATOM 702 C LEU A 91 14.440 8.645 21.341 1.00 0.00 ATOM 703 N GLY A 92 13.482 7.838 21.709 1.00 0.00 ATOM 704 CA GLY A 92 12.787 7.046 20.714 1.00 0.00 ATOM 705 O GLY A 92 12.026 7.699 18.539 1.00 0.00 ATOM 706 C GLY A 92 11.987 7.903 19.754 1.00 0.00 ATOM 707 N VAL A 93 11.269 8.855 20.301 1.00 0.00 ATOM 708 CA VAL A 93 10.459 9.760 19.500 1.00 0.00 ATOM 709 CB VAL A 93 9.605 10.720 20.350 1.00 0.00 ATOM 710 CG1 VAL A 93 8.911 11.742 19.462 1.00 0.00 ATOM 711 CG2 VAL A 93 8.541 9.949 21.115 1.00 0.00 ATOM 712 O VAL A 93 11.039 10.764 17.393 1.00 0.00 ATOM 713 C VAL A 93 11.348 10.580 18.573 1.00 0.00 ATOM 714 N ILE A 94 12.422 11.083 19.139 1.00 0.00 ATOM 715 CA ILE A 94 13.366 11.889 18.378 1.00 0.00 ATOM 716 CB ILE A 94 14.439 12.522 19.191 1.00 0.00 ATOM 717 CG1 ILE A 94 15.113 11.582 20.206 1.00 0.00 ATOM 718 CG2 ILE A 94 13.833 13.723 19.927 1.00 0.00 ATOM 719 CD1 ILE A 94 16.470 12.108 20.709 1.00 0.00 ATOM 720 O ILE A 94 14.140 11.483 16.143 1.00 0.00 ATOM 721 C ILE A 94 14.066 11.062 17.295 1.00 0.00 ATOM 722 N MET A 95 14.558 9.882 17.616 1.00 0.00 ATOM 723 CA MET A 95 15.183 9.037 16.604 1.00 0.00 ATOM 724 CB MET A 95 15.918 7.878 17.367 1.00 0.00 ATOM 725 CG MET A 95 17.138 8.355 18.161 1.00 0.00 ATOM 726 SD MET A 95 18.171 7.005 18.766 1.00 0.00 ATOM 727 CE MET A 95 17.105 6.280 20.001 1.00 0.00 ATOM 728 O MET A 95 14.583 8.344 14.388 1.00 0.00 ATOM 729 C MET A 95 14.189 8.648 15.514 1.00 0.00 ATOM 730 N ALA A 96 12.891 8.661 15.855 1.00 0.00 ATOM 731 CA ALA A 96 11.851 8.302 14.894 1.00 0.00 ATOM 732 CB ALA A 96 10.918 7.280 15.522 1.00 0.00 ATOM 733 O ALA A 96 10.235 9.478 13.564 1.00 0.00 ATOM 734 C ALA A 96 11.188 9.559 14.339 1.00 0.00 ATOM 735 N SER A 97 11.675 10.720 14.752 1.00 0.00 ATOM 736 CA SER A 97 11.121 12.007 14.334 1.00 0.00 ATOM 737 CB SER A 97 11.722 13.195 15.022 1.00 0.00 ATOM 738 OG SER A 97 13.037 13.508 14.643 1.00 0.00 ATOM 739 O SER A 97 10.410 13.010 12.274 1.00 0.00 ATOM 740 C SER A 97 11.197 12.236 12.826 1.00 0.00 ATOM 741 N ASP A 98 12.141 11.574 12.161 1.00 0.00 ATOM 742 CA ASP A 98 12.300 11.725 10.721 1.00 0.00 ATOM 743 CB ASP A 98 13.777 11.921 10.358 1.00 0.00 ATOM 744 CG ASP A 98 14.634 10.710 10.675 1.00 0.00 ATOM 745 OD1 ASP A 98 14.087 9.656 11.058 1.00 0.00 ATOM 746 OD2 ASP A 98 15.871 10.821 10.529 1.00 0.00 ATOM 747 O ASP A 98 11.900 10.481 8.712 1.00 0.00 ATOM 748 C ASP A 98 11.688 10.581 9.920 1.00 0.00 ATOM 749 N GLY A 99 10.940 9.714 10.597 1.00 0.00 ATOM 750 CA GLY A 99 10.306 8.602 9.909 1.00 0.00 ATOM 751 O GLY A 99 10.618 6.290 9.475 1.00 0.00 ATOM 752 C GLY A 99 11.146 7.349 9.812 1.00 0.00 ATOM 753 N ASP A 100 12.503 7.430 10.101 1.00 0.00 ATOM 754 CA ASP A 100 13.407 6.275 10.068 1.00 0.00 ATOM 755 CB ASP A 100 14.802 6.767 9.551 1.00 0.00 ATOM 756 CG ASP A 100 15.821 5.669 9.329 1.00 0.00 ATOM 757 OD1 ASP A 100 16.408 5.182 10.343 1.00 0.00 ATOM 758 OD2 ASP A 100 16.103 5.194 8.202 1.00 0.00 ATOM 759 O ASP A 100 13.930 6.061 12.399 1.00 0.00 ATOM 760 C ASP A 100 13.520 5.505 11.375 1.00 0.00 ATOM 761 N ILE A 101 13.139 4.232 11.336 1.00 0.00 ATOM 762 CA ILE A 101 13.193 3.368 12.513 1.00 0.00 ATOM 763 CB ILE A 101 11.809 2.748 12.814 1.00 0.00 ATOM 764 CG1 ILE A 101 10.733 3.835 12.876 1.00 0.00 ATOM 765 CG2 ILE A 101 11.854 1.947 14.112 1.00 0.00 ATOM 766 CD1 ILE A 101 9.319 3.297 12.843 1.00 0.00 ATOM 767 O ILE A 101 14.163 1.556 11.293 1.00 0.00 ATOM 768 C ILE A 101 14.267 2.319 12.252 1.00 0.00 ATOM 769 N ASP A 102 15.362 2.389 13.008 1.00 0.00 ATOM 770 CA ASP A 102 16.474 1.455 12.854 1.00 0.00 ATOM 771 CB ASP A 102 17.800 2.245 12.851 1.00 0.00 ATOM 772 CG ASP A 102 18.990 1.446 12.350 1.00 0.00 ATOM 773 OD1 ASP A 102 19.132 0.263 12.722 1.00 0.00 ATOM 774 OD2 ASP A 102 19.801 2.010 11.585 1.00 0.00 ATOM 775 O ASP A 102 16.531 0.610 15.111 1.00 0.00 ATOM 776 C ASP A 102 16.410 0.353 13.911 1.00 0.00 ATOM 777 N ASP A 103 16.179 -0.872 13.435 1.00 0.00 ATOM 778 CA ASP A 103 16.078 -2.002 14.345 1.00 0.00 ATOM 779 CB ASP A 103 15.887 -3.304 13.564 1.00 0.00 ATOM 780 CG ASP A 103 14.504 -3.419 12.955 1.00 0.00 ATOM 781 OD1 ASP A 103 13.621 -2.620 13.330 1.00 0.00 ATOM 782 OD2 ASP A 103 14.302 -4.310 12.104 1.00 0.00 ATOM 783 O ASP A 103 17.256 -2.552 16.352 1.00 0.00 ATOM 784 C ASP A 103 17.341 -2.184 15.184 1.00 0.00 ATOM 785 N ASN A 104 18.525 -2.042 14.573 1.00 0.00 ATOM 786 CA ASN A 104 19.781 -2.260 15.274 1.00 0.00 ATOM 787 CB ASN A 104 20.948 -2.135 14.294 1.00 0.00 ATOM 788 CG ASN A 104 21.086 -3.348 13.395 1.00 0.00 ATOM 789 ND2 ASN A 104 21.777 -3.176 12.272 1.00 0.00 ATOM 790 OD1 ASN A 104 20.580 -4.425 13.706 1.00 0.00 ATOM 791 O ASN A 104 20.339 -1.586 17.499 1.00 0.00 ATOM 792 C ASN A 104 19.942 -1.240 16.392 1.00 0.00 ATOM 793 N GLU A 105 19.629 0.029 16.106 1.00 0.00 ATOM 794 CA GLU A 105 19.742 1.086 17.102 1.00 0.00 ATOM 795 CB GLU A 105 19.088 2.415 16.174 1.00 0.00 ATOM 796 CG GLU A 105 17.643 2.560 16.550 1.00 0.00 ATOM 797 CD GLU A 105 16.984 3.705 15.790 1.00 0.00 ATOM 798 OE1 GLU A 105 15.766 3.911 15.957 1.00 0.00 ATOM 799 OE2 GLU A 105 17.686 4.397 15.022 1.00 0.00 ATOM 800 O GLU A 105 19.072 1.075 19.417 1.00 0.00 ATOM 801 C GLU A 105 18.763 0.814 18.247 1.00 0.00 ATOM 802 N LEU A 106 17.588 0.290 17.897 1.00 0.00 ATOM 803 CA LEU A 106 16.600 -0.032 18.926 1.00 0.00 ATOM 804 CB LEU A 106 15.258 -0.411 18.318 1.00 0.00 ATOM 805 CG LEU A 106 14.571 0.707 17.539 1.00 0.00 ATOM 806 CD1 LEU A 106 13.267 0.157 16.970 1.00 0.00 ATOM 807 CD2 LEU A 106 14.321 1.910 18.448 1.00 0.00 ATOM 808 O LEU A 106 16.931 -1.084 21.062 1.00 0.00 ATOM 809 C LEU A 106 17.071 -1.161 19.838 1.00 0.00 ATOM 810 N ALA A 107 17.691 -2.182 19.238 1.00 0.00 ATOM 811 CA ALA A 107 18.185 -3.322 20.024 1.00 0.00 ATOM 812 CB ALA A 107 18.715 -4.382 19.072 1.00 0.00 ATOM 813 O ALA A 107 19.338 -3.353 22.170 1.00 0.00 ATOM 814 C ALA A 107 19.307 -2.924 20.998 1.00 0.00 ATOM 815 N LEU A 108 20.210 -2.081 20.526 1.00 0.00 ATOM 816 CA LEU A 108 21.295 -1.589 21.376 1.00 0.00 ATOM 817 CB LEU A 108 22.459 -1.111 20.386 1.00 0.00 ATOM 818 CG LEU A 108 23.100 -2.118 19.424 1.00 0.00 ATOM 819 CD1 LEU A 108 24.217 -1.423 18.649 1.00 0.00 ATOM 820 CD2 LEU A 108 23.659 -3.306 20.199 1.00 0.00 ATOM 821 O LEU A 108 21.352 -0.589 23.622 1.00 0.00 ATOM 822 C LEU A 108 20.816 -0.617 22.478 1.00 0.00 ATOM 823 N TRP A 109 19.797 0.170 22.182 1.00 0.00 ATOM 824 CA TRP A 109 19.169 0.978 23.218 1.00 0.00 ATOM 825 CB TRP A 109 18.037 1.843 22.622 1.00 0.00 ATOM 826 CG TRP A 109 17.231 2.516 23.713 1.00 0.00 ATOM 827 CD1 TRP A 109 16.000 2.135 24.140 1.00 0.00 ATOM 828 CD2 TRP A 109 17.665 3.552 24.622 1.00 0.00 ATOM 829 CE2 TRP A 109 16.615 3.738 25.584 1.00 0.00 ATOM 830 CE3 TRP A 109 18.820 4.348 24.720 1.00 0.00 ATOM 831 NE1 TRP A 109 15.611 2.862 25.277 1.00 0.00 ATOM 832 CZ2 TRP A 109 16.682 4.674 26.615 1.00 0.00 ATOM 833 CZ3 TRP A 109 18.892 5.301 25.762 1.00 0.00 ATOM 834 CH2 TRP A 109 17.832 5.458 26.700 1.00 0.00 ATOM 835 O TRP A 109 18.794 0.328 25.512 1.00 0.00 ATOM 836 C TRP A 109 18.634 0.060 24.308 1.00 0.00 ATOM 837 N THR A 110 17.999 -1.047 23.901 1.00 0.00 ATOM 838 CA THR A 110 17.458 -1.941 24.937 1.00 0.00 ATOM 839 CB THR A 110 16.606 -3.071 24.259 1.00 0.00 ATOM 840 CG2 THR A 110 16.072 -4.093 25.262 1.00 0.00 ATOM 841 OG1 THR A 110 15.489 -2.509 23.550 1.00 0.00 ATOM 842 O THR A 110 18.389 -2.683 26.996 1.00 0.00 ATOM 843 C THR A 110 18.551 -2.545 25.794 1.00 0.00 ATOM 844 N LEU A 111 19.642 -2.873 25.162 1.00 0.00 ATOM 845 CA LEU A 111 20.766 -3.434 25.874 1.00 0.00 ATOM 846 CB LEU A 111 21.915 -3.763 24.981 1.00 0.00 ATOM 847 CG LEU A 111 23.129 -4.363 25.686 1.00 0.00 ATOM 848 CD1 LEU A 111 22.828 -5.707 26.339 1.00 0.00 ATOM 849 CD2 LEU A 111 24.278 -4.520 24.698 1.00 0.00 ATOM 850 O LEU A 111 21.537 -2.802 28.064 1.00 0.00 ATOM 851 C LEU A 111 21.310 -2.447 26.904 1.00 0.00 ATOM 852 N ILE A 112 21.518 -1.220 26.465 1.00 0.00 ATOM 853 CA ILE A 112 22.033 -0.199 27.355 1.00 0.00 ATOM 854 CB ILE A 112 22.231 1.129 26.623 1.00 0.00 ATOM 855 CG1 ILE A 112 23.432 0.992 25.678 1.00 0.00 ATOM 856 CG2 ILE A 112 22.471 2.257 27.620 1.00 0.00 ATOM 857 CD1 ILE A 112 23.654 2.205 24.771 1.00 0.00 ATOM 858 O ILE A 112 21.480 0.213 29.660 1.00 0.00 ATOM 859 C ILE A 112 21.071 0.050 28.510 1.00 0.00 ATOM 860 N SER A 113 19.771 0.093 28.194 1.00 0.00 ATOM 861 CA SER A 113 18.766 0.328 29.210 1.00 0.00 ATOM 862 CB SER A 113 17.375 0.411 28.579 1.00 0.00 ATOM 863 OG SER A 113 17.263 1.545 27.736 1.00 0.00 ATOM 864 O SER A 113 18.539 -0.462 31.458 1.00 0.00 ATOM 865 C SER A 113 18.739 -0.755 30.283 1.00 0.00 ATOM 866 N THR A 114 18.914 -2.013 29.844 1.00 0.00 ATOM 867 CA THR A 114 18.910 -3.113 30.806 1.00 0.00 ATOM 868 CB THR A 114 19.054 -4.455 29.960 1.00 0.00 ATOM 869 CG2 THR A 114 19.167 -5.634 30.899 1.00 0.00 ATOM 870 OG1 THR A 114 17.888 -4.595 29.151 1.00 0.00 ATOM 871 O THR A 114 19.884 -3.323 32.978 1.00 0.00 ATOM 872 C THR A 114 20.053 -2.948 31.817 1.00 0.00 ATOM 873 N LEU A 115 21.179 -2.410 31.355 1.00 0.00 ATOM 874 CA LEU A 115 22.288 -2.128 32.270 1.00 0.00 ATOM 875 CB LEU A 115 23.551 -1.995 31.334 1.00 0.00 ATOM 876 CG LEU A 115 24.910 -1.811 32.002 1.00 0.00 ATOM 877 CD1 LEU A 115 25.270 -3.042 32.815 1.00 0.00 ATOM 878 CD2 LEU A 115 25.955 -1.560 30.930 1.00 0.00 ATOM 879 O LEU A 115 22.602 -1.096 34.401 1.00 0.00 ATOM 880 C LEU A 115 21.932 -1.124 33.360 1.00 0.00 ATOM 881 N CYS A 116 20.887 -0.314 33.202 1.00 0.00 ATOM 882 CA CYS A 116 20.465 0.686 34.171 1.00 0.00 ATOM 883 CB CYS A 116 20.126 1.969 33.444 1.00 0.00 ATOM 884 SG CYS A 116 21.605 2.704 32.689 1.00 0.00 ATOM 885 O CYS A 116 18.703 0.960 35.762 1.00 0.00 ATOM 886 C CYS A 116 19.335 0.174 35.059 1.00 0.00 ATOM 887 N GLY A 117 18.986 -1.083 35.003 1.00 0.00 ATOM 888 CA GLY A 117 17.954 -1.679 35.834 1.00 0.00 ATOM 889 O GLY A 117 15.603 -2.118 35.811 1.00 0.00 ATOM 890 C GLY A 117 16.574 -1.683 35.193 1.00 0.00 ATOM 891 N LEU A 118 16.426 -1.177 33.946 1.00 0.00 ATOM 892 CA LEU A 118 15.121 -1.199 33.295 1.00 0.00 ATOM 893 CB LEU A 118 15.106 -0.147 32.187 1.00 0.00 ATOM 894 CG LEU A 118 15.538 1.267 32.552 1.00 0.00 ATOM 895 CD1 LEU A 118 15.396 2.160 31.321 1.00 0.00 ATOM 896 CD2 LEU A 118 14.734 1.783 33.741 1.00 0.00 ATOM 897 O LEU A 118 15.658 -3.219 32.121 1.00 0.00 ATOM 898 C LEU A 118 14.815 -2.614 32.813 1.00 0.00 ATOM 899 N PRO A 119 13.656 -3.181 33.166 1.00 0.00 ATOM 900 CA PRO A 119 13.338 -4.534 32.729 1.00 0.00 ATOM 901 CB PRO A 119 11.948 -4.791 33.324 1.00 0.00 ATOM 902 CG PRO A 119 11.787 -3.793 34.416 1.00 0.00 ATOM 903 CD PRO A 119 12.602 -2.602 34.019 1.00 0.00 ATOM 904 O PRO A 119 13.035 -3.643 30.511 1.00 0.00 ATOM 905 C PRO A 119 13.310 -4.619 31.206 1.00 0.00 ATOM 906 N THR A 120 13.668 -5.789 30.688 1.00 0.00 ATOM 907 CA THR A 120 13.696 -5.964 29.240 1.00 0.00 ATOM 908 CB THR A 120 14.221 -7.387 28.942 1.00 0.00 ATOM 909 CG2 THR A 120 14.347 -7.680 27.471 1.00 0.00 ATOM 910 OG1 THR A 120 15.524 -7.530 29.523 1.00 0.00 ATOM 911 O THR A 120 12.164 -5.056 27.609 1.00 0.00 ATOM 912 C THR A 120 12.316 -5.717 28.646 1.00 0.00 ATOM 913 N MET A 121 11.268 -6.188 29.302 1.00 0.00 ATOM 914 CA MET A 121 9.924 -6.010 28.785 1.00 0.00 ATOM 915 CB MET A 121 8.933 -6.763 29.715 1.00 0.00 ATOM 916 CG MET A 121 9.102 -8.286 29.719 1.00 0.00 ATOM 917 SD MET A 121 8.048 -9.149 30.934 1.00 0.00 ATOM 918 CE MET A 121 6.481 -8.881 30.236 1.00 0.00 ATOM 919 O MET A 121 8.949 -4.035 27.814 1.00 0.00 ATOM 920 C MET A 121 9.499 -4.533 28.796 1.00 0.00 ATOM 921 N THR A 122 9.751 -3.852 29.911 1.00 0.00 ATOM 922 CA THR A 122 9.356 -2.427 29.987 1.00 0.00 ATOM 923 CB THR A 122 9.599 -1.939 31.410 1.00 0.00 ATOM 924 CG2 THR A 122 9.185 -0.481 31.592 1.00 0.00 ATOM 925 OG1 THR A 122 8.754 -2.723 32.276 1.00 0.00 ATOM 926 O THR A 122 9.579 -0.769 28.353 1.00 0.00 ATOM 927 C THR A 122 10.176 -1.584 29.034 1.00 0.00 ATOM 928 N VAL A 123 11.468 -1.877 28.939 1.00 0.00 ATOM 929 CA VAL A 123 12.286 -1.136 27.972 1.00 0.00 ATOM 930 CB VAL A 123 13.780 -1.501 28.094 1.00 0.00 ATOM 931 CG1 VAL A 123 14.585 -1.003 26.877 1.00 0.00 ATOM 932 CG2 VAL A 123 14.312 -0.935 29.406 1.00 0.00 ATOM 933 O VAL A 123 11.718 -0.548 25.711 1.00 0.00 ATOM 934 C VAL A 123 11.787 -1.419 26.564 1.00 0.00 ATOM 935 N MET A 124 11.431 -2.686 26.264 1.00 0.00 ATOM 936 CA MET A 124 10.934 -3.013 24.938 1.00 0.00 ATOM 937 CB MET A 124 10.802 -4.554 24.808 1.00 0.00 ATOM 938 CG MET A 124 12.131 -5.285 24.722 1.00 0.00 ATOM 939 SD MET A 124 11.977 -7.061 24.972 1.00 0.00 ATOM 940 CE MET A 124 10.952 -7.512 23.617 1.00 0.00 ATOM 941 O MET A 124 9.401 -1.788 23.562 1.00 0.00 ATOM 942 C MET A 124 9.618 -2.293 24.664 1.00 0.00 ATOM 943 N GLU A 125 8.741 -2.231 25.669 1.00 0.00 ATOM 944 CA GLU A 125 7.455 -1.562 25.508 1.00 0.00 ATOM 945 CB GLU A 125 6.632 -1.622 26.800 1.00 0.00 ATOM 946 CG GLU A 125 5.363 -0.783 26.759 1.00 0.00 ATOM 947 CD GLU A 125 4.666 -0.699 28.104 1.00 0.00 ATOM 948 OE1 GLU A 125 5.333 -0.877 29.147 1.00 0.00 ATOM 949 OE2 GLU A 125 3.445 -0.448 28.117 1.00 0.00 ATOM 950 O GLU A 125 6.983 0.431 24.266 1.00 0.00 ATOM 951 C GLU A 125 7.652 -0.095 25.150 1.00 0.00 ATOM 952 N ALA A 126 8.589 0.564 25.821 1.00 0.00 ATOM 953 CA ALA A 126 8.871 1.972 25.571 1.00 0.00 ATOM 954 CB ALA A 126 9.822 2.491 26.632 1.00 0.00 ATOM 955 O ALA A 126 9.147 3.171 23.513 1.00 0.00 ATOM 956 C ALA A 126 9.475 2.196 24.187 1.00 0.00 ATOM 957 N ILE A 127 10.329 1.270 23.749 1.00 0.00 ATOM 958 CA ILE A 127 10.955 1.374 22.439 1.00 0.00 ATOM 959 CB ILE A 127 11.997 0.265 22.216 1.00 0.00 ATOM 960 CG1 ILE A 127 13.195 0.508 23.146 1.00 0.00 ATOM 961 CG2 ILE A 127 12.424 0.190 20.754 1.00 0.00 ATOM 962 CD1 ILE A 127 14.178 -0.675 23.173 1.00 0.00 ATOM 963 O ILE A 127 9.901 2.087 20.355 1.00 0.00 ATOM 964 C ILE A 127 9.888 1.340 21.341 1.00 0.00 ATOM 965 N ASN A 128 8.984 0.401 21.501 1.00 0.00 ATOM 966 CA ASN A 128 8.000 0.161 20.460 1.00 0.00 ATOM 967 CB ASN A 128 7.264 -1.145 20.750 1.00 0.00 ATOM 968 CG ASN A 128 8.159 -2.365 20.554 1.00 0.00 ATOM 969 ND2 ASN A 128 7.850 -3.454 21.242 1.00 0.00 ATOM 970 OD1 ASN A 128 9.109 -2.318 19.777 1.00 0.00 ATOM 971 O ASN A 128 6.633 1.721 19.269 1.00 0.00 ATOM 972 C ASN A 128 7.037 1.335 20.367 1.00 0.00 ATOM 973 N ASN A 129 6.666 1.915 21.512 1.00 0.00 ATOM 974 CA ASN A 129 5.749 3.044 21.492 1.00 0.00 ATOM 975 CB ASN A 129 5.278 3.506 22.806 1.00 0.00 ATOM 976 CG ASN A 129 4.262 2.568 23.424 1.00 0.00 ATOM 977 ND2 ASN A 129 3.777 1.614 22.638 1.00 0.00 ATOM 978 OD1 ASN A 129 3.908 2.708 24.601 1.00 0.00 ATOM 979 O ASN A 129 5.751 4.928 20.019 1.00 0.00 ATOM 980 C ASN A 129 6.360 4.272 20.842 1.00 0.00 ATOM 981 N MET A 130 7.609 4.484 21.114 1.00 0.00 ATOM 982 CA MET A 130 8.336 5.629 20.580 1.00 0.00 ATOM 983 CB MET A 130 9.650 5.851 21.307 1.00 0.00 ATOM 984 CG MET A 130 9.516 6.223 22.784 1.00 0.00 ATOM 985 SD MET A 130 8.551 7.718 23.081 1.00 0.00 ATOM 986 CE MET A 130 6.984 6.970 23.528 1.00 0.00 ATOM 987 O MET A 130 8.679 6.524 18.380 1.00 0.00 ATOM 988 C MET A 130 8.629 5.512 19.089 1.00 0.00 ATOM 989 N LYS A 131 8.892 4.309 18.600 1.00 0.00 ATOM 990 CA LYS A 131 9.178 4.147 17.187 1.00 0.00 ATOM 991 CB LYS A 131 10.199 2.958 17.080 1.00 0.00 ATOM 992 CG LYS A 131 11.506 3.199 17.843 1.00 0.00 ATOM 993 CD LYS A 131 12.206 4.481 17.461 1.00 0.00 ATOM 994 CE LYS A 131 12.781 4.353 16.071 1.00 0.00 ATOM 995 NZ LYS A 131 13.482 5.644 15.695 1.00 0.00 ATOM 996 O LYS A 131 7.934 3.538 15.211 1.00 0.00 ATOM 997 C LYS A 131 7.906 3.819 16.414 1.00 0.00 ATOM 998 N ASN A 132 6.748 3.803 17.081 1.00 0.00 ATOM 999 CA ASN A 132 5.476 3.418 16.476 1.00 0.00 ATOM 1000 CB ASN A 132 4.993 4.455 15.459 1.00 0.00 ATOM 1001 CG ASN A 132 3.544 4.261 15.084 1.00 0.00 ATOM 1002 ND2 ASN A 132 3.196 4.686 13.849 1.00 0.00 ATOM 1003 OD1 ASN A 132 2.727 3.761 15.876 1.00 0.00 ATOM 1004 O ASN A 132 5.157 1.851 14.644 1.00 0.00 ATOM 1005 C ASN A 132 5.559 2.036 15.803 1.00 0.00 ATOM 1006 N LEU A 133 6.129 1.077 16.524 1.00 0.00 ATOM 1007 CA LEU A 133 6.347 -0.256 15.985 1.00 0.00 ATOM 1008 CB LEU A 133 7.808 -0.658 16.204 1.00 0.00 ATOM 1009 CG LEU A 133 8.861 0.278 15.609 1.00 0.00 ATOM 1010 CD1 LEU A 133 10.262 -0.180 15.989 1.00 0.00 ATOM 1011 CD2 LEU A 133 8.766 0.303 14.092 1.00 0.00 ATOM 1012 O LEU A 133 5.031 -1.004 17.847 1.00 0.00 ATOM 1013 C LEU A 133 5.454 -1.251 16.716 1.00 0.00 ENDMDL EXPDTA 2h5nA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h5nA ATOM 1 N MET A 1 -20.624 20.932 42.864 1.00 0.00 ATOM 2 CA MET A 1 -19.268 20.556 42.563 1.00 0.00 ATOM 3 CB MET A 1 -18.701 21.266 41.383 1.00 0.00 ATOM 4 CG MET A 1 -18.570 20.422 40.337 1.00 0.00 ATOM 5 SD MET A 1 -20.264 20.380 39.857 1.00 0.00 ATOM 6 CE MET A 1 -20.220 19.025 38.699 1.00 0.00 ATOM 7 O MET A 1 -17.741 21.570 44.029 1.00 0.00 ATOM 8 C MET A 1 -18.187 20.574 43.582 1.00 0.00 ATOM 9 N GLY A 2 -17.702 19.401 43.800 1.00 0.00 ATOM 10 CA GLY A 2 -16.623 19.150 44.772 1.00 0.00 ATOM 11 O GLY A 2 -14.892 18.144 43.428 1.00 0.00 ATOM 12 C GLY A 2 -15.237 19.108 44.133 1.00 0.00 ATOM 13 N LEU A 3 -14.469 20.181 44.319 1.00 0.00 ATOM 14 CA LEU A 3 -13.042 20.205 43.988 1.00 0.00 ATOM 15 CB LEU A 3 -12.734 21.446 43.121 1.00 0.00 ATOM 16 CG LEU A 3 -13.632 21.846 41.939 1.00 0.00 ATOM 17 CD1 LEU A 3 -13.408 23.320 41.512 1.00 0.00 ATOM 18 CD2 LEU A 3 -13.397 20.879 40.786 1.00 0.00 ATOM 19 O LEU A 3 -12.052 21.432 45.765 1.00 0.00 ATOM 20 C LEU A 3 -12.296 20.332 45.319 1.00 0.00 ATOM 21 N GLY A 4 -11.881 19.273 46.002 1.00 0.00 ATOM 22 CA GLY A 4 -11.253 18.090 45.535 1.00 0.00 ATOM 23 O GLY A 4 -9.308 19.478 45.687 1.00 0.00 ATOM 24 C GLY A 4 -9.864 18.449 46.077 1.00 0.00 ATOM 25 N ARG A 5 -9.276 17.660 46.969 1.00 0.00 ATOM 26 CA ARG A 5 -7.866 17.939 47.296 1.00 0.00 ATOM 27 CB ARG A 5 -7.314 17.064 48.415 1.00 0.00 ATOM 28 CG ARG A 5 -6.838 17.895 49.638 1.00 0.00 ATOM 29 CD ARG A 5 -5.575 18.783 49.319 1.00 0.00 ATOM 30 NE ARG A 5 -5.081 19.516 50.489 1.00 0.00 ATOM 31 CZ ARG A 5 -5.638 20.621 50.982 1.00 0.00 ATOM 32 NH1 ARG A 5 -5.109 21.202 52.051 1.00 0.00 ATOM 33 NH2 ARG A 5 -6.727 21.147 50.417 1.00 0.00 ATOM 34 O ARG A 5 -7.154 16.967 45.217 1.00 0.00 ATOM 35 C ARG A 5 -6.966 17.837 46.065 1.00 0.00 ATOM 36 N GLN A 6 -6.038 18.784 45.957 1.00 0.00 ATOM 37 CA GLN A 6 -5.057 18.787 44.906 1.00 0.00 ATOM 38 CB GLN A 6 -4.651 20.210 44.545 1.00 0.00 ATOM 39 CG GLN A 6 -5.561 20.848 43.536 1.00 0.00 ATOM 40 CD GLN A 6 -5.112 22.211 43.128 1.00 0.00 ATOM 41 OE1 GLN A 6 -5.263 23.173 43.895 1.00 0.00 ATOM 42 NE2 GLN A 6 -4.587 22.331 41.894 1.00 0.00 ATOM 43 O GLN A 6 -3.468 18.078 46.560 1.00 0.00 ATOM 44 C GLN A 6 -3.851 18.010 45.384 1.00 0.00 ATOM 45 N SER A 7 -3.265 17.277 44.444 1.00 0.00 ATOM 46 CA SER A 7 -2.069 16.497 44.666 1.00 0.00 ATOM 47 CB SER A 7 -2.389 15.004 44.457 1.00 0.00 ATOM 48 OG SER A 7 -1.269 14.281 43.990 1.00 0.00 ATOM 49 O SER A 7 -1.406 17.168 42.465 1.00 0.00 ATOM 50 C SER A 7 -1.080 17.046 43.644 1.00 0.00 ATOM 51 N LEU A 8 0.097 17.463 44.102 1.00 0.00 ATOM 52 CA LEU A 8 1.173 17.921 43.204 1.00 0.00 ATOM 53 CB LEU A 8 1.675 19.303 43.578 1.00 0.00 ATOM 54 CG LEU A 8 1.119 20.640 43.110 1.00 0.00 ATOM 55 CD1 LEU A 8 0.213 21.264 44.167 1.00 0.00 ATOM 56 CD2 LEU A 8 2.301 21.584 42.869 1.00 0.00 ATOM 57 O LEU A 8 2.679 16.540 44.446 1.00 0.00 ATOM 58 C LEU A 8 2.354 16.990 43.339 1.00 0.00 ATOM 59 N ASN A 9 2.984 16.693 42.215 1.00 0.00 ATOM 60 CA ASN A 9 4.270 16.041 42.203 1.00 0.00 ATOM 61 CB ASN A 9 4.106 14.601 41.753 1.00 0.00 ATOM 62 CG ASN A 9 3.135 13.875 42.602 1.00 0.00 ATOM 63 ND2 ASN A 9 1.931 13.608 42.066 1.00 0.00 ATOM 64 OD1 ASN A 9 3.428 13.601 43.762 1.00 0.00 ATOM 65 O ASN A 9 4.720 17.405 40.313 1.00 0.00 ATOM 66 C ASN A 9 5.180 16.753 41.256 1.00 0.00 ATOM 67 N ILE A 10 6.472 16.633 41.515 1.00 0.00 ATOM 68 CA ILE A 10 7.469 17.160 40.602 1.00 0.00 ATOM 69 CB ILE A 10 8.038 18.540 41.075 1.00 0.00 ATOM 70 CG1 ILE A 10 9.058 19.067 40.067 1.00 0.00 ATOM 71 CG2 ILE A 10 8.627 18.446 42.475 1.00 0.00 ATOM 72 CD1 ILE A 10 9.109 20.600 39.924 1.00 0.00 ATOM 73 O ILE A 10 8.876 15.390 41.355 1.00 0.00 ATOM 74 C ILE A 10 8.513 16.086 40.406 1.00 0.00 ATOM 75 N MET A 11 8.947 15.891 39.173 1.00 0.00 ATOM 76 CA MET A 11 9.959 14.858 38.908 1.00 0.00 ATOM 77 CB MET A 11 9.798 14.295 37.487 1.00 0.00 ATOM 78 CG MET A 11 10.787 13.199 37.125 1.00 0.00 ATOM 79 SD MET A 11 10.495 12.503 35.476 1.00 0.00 ATOM 80 CE MET A 11 9.116 11.544 36.026 1.00 0.00 ATOM 81 O MET A 11 11.580 16.554 38.471 1.00 0.00 ATOM 82 C MET A 11 11.299 15.541 39.109 1.00 0.00 ATOM 83 N THR A 12 12.091 15.074 40.061 1.00 0.00 ATOM 84 CA THR A 12 13.359 15.758 40.368 1.00 0.00 ATOM 85 CB THR A 12 13.437 16.250 41.844 1.00 0.00 ATOM 86 CG2 THR A 12 12.411 17.320 42.114 1.00 0.00 ATOM 87 OG1 THR A 12 13.228 15.139 42.737 1.00 0.00 ATOM 88 O THR A 12 14.519 13.665 40.200 1.00 0.00 ATOM 89 C THR A 12 14.578 14.894 40.076 1.00 0.00 ATOM 90 N PHE A 13 15.684 15.538 39.699 1.00 0.00 ATOM 91 CA PHE A 13 16.953 14.837 39.479 1.00 0.00 ATOM 92 CB PHE A 13 17.228 14.664 37.973 1.00 0.00 ATOM 93 CG PHE A 13 16.165 13.898 37.248 1.00 0.00 ATOM 94 CD1 PHE A 13 16.285 12.518 37.056 1.00 0.00 ATOM 95 CD2 PHE A 13 15.036 14.542 36.761 1.00 0.00 ATOM 96 CE1 PHE A 13 15.306 11.804 36.374 1.00 0.00 ATOM 97 CE2 PHE A 13 14.041 13.832 36.098 1.00 0.00 ATOM 98 CZ PHE A 13 14.178 12.456 35.891 1.00 0.00 ATOM 99 O PHE A 13 18.264 16.786 39.887 1.00 0.00 ATOM 100 C PHE A 13 18.112 15.584 40.099 1.00 0.00 ATOM 101 N SER A 14 18.936 14.869 40.867 1.00 0.00 ATOM 102 CA SER A 14 20.197 15.438 41.391 1.00 0.00 ATOM 103 CB SER A 14 20.846 14.482 42.380 1.00 0.00 ATOM 104 OG SER A 14 21.455 13.395 41.699 1.00 0.00 ATOM 105 O SER A 14 20.949 15.253 39.141 1.00 0.00 ATOM 106 C SER A 14 21.141 15.766 40.239 1.00 0.00 ATOM 107 N GLY A 15 22.102 16.665 40.478 1.00 0.00 ATOM 108 CA GLY A 15 23.198 16.910 39.560 1.00 0.00 ATOM 109 O GLY A 15 24.274 15.555 37.908 1.00 0.00 ATOM 110 C GLY A 15 23.931 15.660 39.088 1.00 0.00 ATOM 111 N GLN A 16 24.205 14.704 39.976 1.00 0.00 ATOM 112 CA GLN A 16 24.926 13.504 39.510 1.00 0.00 ATOM 113 CB GLN A 16 25.815 12.839 40.602 1.00 0.00 ATOM 114 CG GLN A 16 25.111 12.115 41.746 1.00 0.00 ATOM 115 CD GLN A 16 26.038 11.759 42.933 1.00 0.00 ATOM 116 OE1 GLN A 16 27.125 11.175 42.767 1.00 0.00 ATOM 117 NE2 GLN A 16 25.599 12.104 44.131 1.00 0.00 ATOM 118 O GLN A 16 24.480 11.829 37.855 1.00 0.00 ATOM 119 C GLN A 16 24.010 12.537 38.732 1.00 0.00 ATOM 120 N GLU A 17 22.705 12.551 39.016 1.00 0.00 ATOM 121 CA GLU A 17 21.743 11.799 38.189 1.00 0.00 ATOM 122 CB GLU A 17 20.354 11.743 38.824 1.00 0.00 ATOM 123 CG GLU A 17 20.242 10.692 39.948 1.00 0.00 ATOM 124 CD GLU A 17 18.989 10.880 40.829 1.00 0.00 ATOM 125 OE1 GLU A 17 18.416 12.012 40.858 1.00 0.00 ATOM 126 OE2 GLU A 17 18.587 9.908 41.517 1.00 0.00 ATOM 127 O GLU A 17 21.656 11.620 35.825 1.00 0.00 ATOM 128 C GLU A 17 21.639 12.376 36.786 1.00 0.00 ATOM 129 N LEU A 18 21.570 13.706 36.667 1.00 0.00 ATOM 130 CA LEU A 18 21.569 14.365 35.379 1.00 0.00 ATOM 131 CB LEU A 18 21.416 15.885 35.578 1.00 0.00 ATOM 132 CG LEU A 18 20.021 16.384 36.023 1.00 0.00 ATOM 133 CD1 LEU A 18 20.073 17.913 36.302 1.00 0.00 ATOM 134 CD2 LEU A 18 18.950 16.117 34.970 1.00 0.00 ATOM 135 O LEU A 18 22.760 13.841 33.370 1.00 0.00 ATOM 136 C LEU A 18 22.832 14.079 34.568 1.00 0.00 ATOM 137 N THR A 19 23.996 14.133 35.229 1.00 0.00 ATOM 138 CA THR A 19 25.268 13.787 34.613 1.00 0.00 ATOM 139 CB THR A 19 26.410 13.984 35.658 1.00 0.00 ATOM 140 CG2 THR A 19 27.745 13.713 35.047 1.00 0.00 ATOM 141 OG1 THR A 19 26.386 15.353 36.135 1.00 0.00 ATOM 142 O THR A 19 25.705 12.009 33.025 1.00 0.00 ATOM 143 C THR A 19 25.214 12.328 34.113 1.00 0.00 ATOM 144 N ALA A 20 24.635 11.448 34.926 1.00 0.00 ATOM 145 CA ALA A 20 24.475 10.030 34.567 1.00 0.00 ATOM 146 CB ALA A 20 23.919 9.232 35.769 1.00 0.00 ATOM 147 O ALA A 20 23.952 8.967 32.467 1.00 0.00 ATOM 148 C ALA A 20 23.615 9.803 33.331 1.00 0.00 ATOM 149 N ILE A 21 22.481 10.514 33.270 1.00 0.00 ATOM 150 CA ILE A 21 21.586 10.463 32.121 1.00 0.00 ATOM 151 CB ILE A 21 20.344 11.386 32.340 1.00 0.00 ATOM 152 CG1 ILE A 21 19.463 10.784 33.471 1.00 0.00 ATOM 153 CG2 ILE A 21 19.547 11.607 30.999 1.00 0.00 ATOM 154 CD1 ILE A 21 18.390 11.713 33.993 1.00 0.00 ATOM 155 O ILE A 21 22.294 10.071 29.838 1.00 0.00 ATOM 156 C ILE A 21 22.309 10.831 30.825 1.00 0.00 ATOM 157 N ILE A 22 22.983 11.965 30.848 1.00 0.00 ATOM 158 CA ILE A 22 23.712 12.427 29.677 1.00 0.00 ATOM 159 CB ILE A 22 24.016 13.982 29.726 1.00 0.00 ATOM 160 CG1 ILE A 22 24.274 14.492 28.318 1.00 0.00 ATOM 161 CG2 ILE A 22 25.215 14.344 30.594 1.00 0.00 ATOM 162 CD1 ILE A 22 23.034 14.469 27.409 1.00 0.00 ATOM 163 O ILE A 22 25.150 11.308 28.099 1.00 0.00 ATOM 164 C ILE A 22 24.912 11.512 29.284 1.00 0.00 ATOM 165 N LYS A 23 25.585 10.906 30.266 1.00 0.00 ATOM 166 CA LYS A 23 26.644 9.898 30.035 1.00 0.00 ATOM 167 CB LYS A 23 27.325 9.571 31.386 1.00 0.00 ATOM 168 CG LYS A 23 28.529 8.600 31.396 1.00 0.00 ATOM 169 CD LYS A 23 29.700 9.161 30.565 1.00 0.00 ATOM 170 CE LYS A 23 31.073 8.571 30.919 1.00 0.00 ATOM 171 NZ LYS A 23 32.216 9.590 30.815 1.00 0.00 ATOM 172 O LYS A 23 26.718 8.009 28.478 1.00 0.00 ATOM 173 C LYS A 23 26.082 8.610 29.361 1.00 0.00 ATOM 174 N MET A 24 24.880 8.214 29.746 1.00 0.00 ATOM 175 CA MET A 24 24.232 7.068 29.094 1.00 0.00 ATOM 176 CB MET A 24 23.013 6.573 29.899 1.00 0.00 ATOM 177 CG MET A 24 23.403 5.962 31.302 1.00 0.00 ATOM 178 SD MET A 24 24.410 4.445 31.186 1.00 0.00 ATOM 179 CE MET A 24 26.076 5.157 31.198 1.00 0.00 ATOM 180 O MET A 24 24.123 6.538 26.757 1.00 0.00 ATOM 181 C MET A 24 23.900 7.368 27.631 1.00 0.00 ATOM 182 N ALA A 25 23.446 8.587 27.378 1.00 0.00 ATOM 183 CA ALA A 25 23.077 9.068 26.052 1.00 0.00 ATOM 184 CB ALA A 25 22.357 10.414 26.168 1.00 0.00 ATOM 185 O ALA A 25 24.209 8.764 23.969 1.00 0.00 ATOM 186 C ALA A 25 24.274 9.184 25.132 1.00 0.00 ATOM 187 N LYS A 26 25.358 9.768 25.637 1.00 0.00 ATOM 188 CA LYS A 26 26.650 9.731 24.946 1.00 0.00 ATOM 189 CB LYS A 26 27.681 10.459 25.773 1.00 0.00 ATOM 190 CG LYS A 26 27.708 11.992 25.547 1.00 0.00 ATOM 191 CD LYS A 26 28.732 12.626 26.495 1.00 0.00 ATOM 192 CE LYS A 26 28.775 14.102 26.322 1.00 0.00 ATOM 193 NZ LYS A 26 29.991 14.769 26.937 1.00 0.00 ATOM 194 O LYS A 26 27.601 8.037 23.464 1.00 0.00 ATOM 195 C LYS A 26 27.149 8.305 24.589 1.00 0.00 ATOM 196 N SER A 27 27.115 7.412 25.558 1.00 0.00 ATOM 197 CA SER A 27 27.622 6.070 25.366 1.00 0.00 ATOM 198 CB SER A 27 27.555 5.273 26.676 1.00 0.00 ATOM 199 OG SER A 27 28.161 5.982 27.754 1.00 0.00 ATOM 200 O SER A 27 27.379 4.729 23.405 1.00 0.00 ATOM 201 C SER A 27 26.815 5.383 24.278 1.00 0.00 ATOM 202 N MET A 28 25.488 5.515 24.337 1.00 0.00 ATOM 203 CA MET A 28 24.600 4.886 23.340 1.00 0.00 ATOM 204 CB MET A 28 23.125 5.059 23.723 1.00 0.00 ATOM 205 CG MET A 28 22.063 4.434 22.785 1.00 0.00 ATOM 206 SD MET A 28 20.345 4.718 23.272 1.00 0.00 ATOM 207 CE MET A 28 20.255 6.492 22.980 1.00 0.00 ATOM 208 O MET A 28 25.107 4.539 21.028 1.00 0.00 ATOM 209 C MET A 28 24.901 5.379 21.917 1.00 0.00 ATOM 210 N VAL A 29 24.987 6.709 21.728 1.00 0.00 ATOM 211 CA VAL A 29 25.223 7.312 20.397 1.00 0.00 ATOM 212 CB VAL A 29 24.812 8.874 20.272 1.00 0.00 ATOM 213 CG1 VAL A 29 23.335 9.101 20.543 1.00 0.00 ATOM 214 CG2 VAL A 29 25.624 9.763 21.159 1.00 0.00 ATOM 215 O VAL A 29 26.862 7.155 18.651 1.00 0.00 ATOM 216 C VAL A 29 26.656 7.137 19.863 1.00 0.00 ATOM 217 N MET A 30 27.647 7.002 20.741 1.00 0.00 ATOM 218 CA MET A 30 29.018 6.711 20.278 1.00 0.00 ATOM 219 CB MET A 30 30.075 7.085 21.315 1.00 0.00 ATOM 220 CG MET A 30 29.947 8.503 21.866 1.00 0.00 ATOM 221 SD MET A 30 31.420 9.154 22.695 1.00 0.00 ATOM 222 CE MET A 30 32.302 9.489 21.152 1.00 0.00 ATOM 223 O MET A 30 30.195 4.885 19.296 1.00 0.00 ATOM 224 C MET A 30 29.201 5.242 19.931 1.00 0.00 ATOM 225 N ALA A 31 28.273 4.375 20.327 1.00 0.00 ATOM 226 CA ALA A 31 28.556 2.936 20.229 1.00 0.00 ATOM 227 CB ALA A 31 27.396 2.085 20.726 1.00 0.00 ATOM 228 O ALA A 31 29.950 1.731 18.704 1.00 0.00 ATOM 229 C ALA A 31 29.001 2.488 18.840 1.00 0.00 ATOM 230 N ASP A 32 28.332 2.974 17.805 1.00 0.00 ATOM 231 CA ASP A 32 28.687 2.563 16.451 1.00 0.00 ATOM 232 CB ASP A 32 27.441 2.527 15.574 1.00 0.00 ATOM 233 CG ASP A 32 27.011 3.887 15.104 1.00 0.00 ATOM 234 OD1 ASP A 32 27.386 4.933 15.699 1.00 0.00 ATOM 235 OD2 ASP A 32 26.270 3.905 14.107 1.00 0.00 ATOM 236 O ASP A 32 30.166 3.148 14.658 1.00 0.00 ATOM 237 C ASP A 32 29.841 3.353 15.818 1.00 0.00 ATOM 238 N GLY A 33 30.439 4.259 16.597 1.00 0.00 ATOM 239 CA GLY A 33 31.681 4.936 16.231 1.00 0.00 ATOM 240 O GLY A 33 32.495 6.554 14.642 1.00 0.00 ATOM 241 C GLY A 33 31.508 6.031 15.195 1.00 0.00 ATOM 242 N LYS A 34 30.254 6.376 14.927 1.00 0.00 ATOM 243 CA LYS A 34 29.919 7.378 13.919 1.00 0.00 ATOM 244 CB LYS A 34 29.017 6.751 12.852 1.00 0.00 ATOM 245 CG LYS A 34 29.786 5.837 11.897 1.00 0.00 ATOM 246 CD LYS A 34 28.936 4.695 11.365 1.00 0.00 ATOM 247 CE LYS A 34 28.093 5.126 10.196 1.00 0.00 ATOM 248 NZ LYS A 34 27.157 4.054 9.787 1.00 0.00 ATOM 249 O LYS A 34 28.477 8.406 15.503 1.00 0.00 ATOM 250 C LYS A 34 29.228 8.564 14.544 1.00 0.00 ATOM 251 N ILE A 35 29.448 9.764 14.019 1.00 0.00 ATOM 252 CA ILE A 35 28.664 10.897 14.535 1.00 0.00 ATOM 253 CB ILE A 35 29.534 12.103 14.962 1.00 0.00 ATOM 254 CG1 ILE A 35 30.518 12.505 13.874 1.00 0.00 ATOM 255 CG2 ILE A 35 30.263 11.761 16.269 1.00 0.00 ATOM 256 CD1 ILE A 35 30.991 13.982 13.956 1.00 0.00 ATOM 257 O ILE A 35 27.764 11.615 12.434 1.00 0.00 ATOM 258 C ILE A 35 27.533 11.327 13.602 1.00 0.00 ATOM 259 N LYS A 36 26.312 11.318 14.130 1.00 0.00 ATOM 260 CA LYS A 36 25.125 11.860 13.458 1.00 0.00 ATOM 261 CB LYS A 36 23.999 10.819 13.414 1.00 0.00 ATOM 262 CG LYS A 36 24.319 9.525 12.592 1.00 0.00 ATOM 263 CD LYS A 36 23.153 8.504 12.559 1.00 0.00 ATOM 264 CE LYS A 36 22.118 8.811 11.455 1.00 0.00 ATOM 265 NZ LYS A 36 20.883 7.972 11.519 1.00 0.00 ATOM 266 O LYS A 36 24.000 13.034 15.244 1.00 0.00 ATOM 267 C LYS A 36 24.671 13.125 14.203 1.00 0.00 ATOM 268 N PRO A 37 25.057 14.317 13.696 1.00 0.00 ATOM 269 CA PRO A 37 24.723 15.618 14.304 1.00 0.00 ATOM 270 CB PRO A 37 25.088 16.617 13.210 1.00 0.00 ATOM 271 CG PRO A 37 26.179 15.976 12.498 1.00 0.00 ATOM 272 CD PRO A 37 25.882 14.486 12.489 1.00 0.00 ATOM 273 O PRO A 37 22.964 16.418 15.713 1.00 0.00 ATOM 274 C PRO A 37 23.246 15.783 14.697 1.00 0.00 ATOM 275 N ALA A 38 22.328 15.203 13.919 1.00 0.00 ATOM 276 CA ALA A 38 20.897 15.188 14.258 1.00 0.00 ATOM 277 CB ALA A 38 20.075 14.628 13.093 1.00 0.00 ATOM 278 O ALA A 38 19.704 14.952 16.327 1.00 0.00 ATOM 279 C ALA A 38 20.531 14.464 15.560 1.00 0.00 ATOM 280 N GLU A 39 21.111 13.292 15.786 1.00 0.00 ATOM 281 CA GLU A 39 20.924 12.550 17.054 1.00 0.00 ATOM 282 CB GLU A 39 21.674 11.227 16.992 1.00 0.00 ATOM 283 CG GLU A 39 20.950 10.102 16.239 1.00 0.00 ATOM 284 CD GLU A 39 21.731 8.782 16.230 1.00 0.00 ATOM 285 OE1 GLU A 39 22.862 8.674 16.809 1.00 0.00 ATOM 286 OE2 GLU A 39 21.206 7.829 15.613 1.00 0.00 ATOM 287 O GLU A 39 20.812 13.348 19.346 1.00 0.00 ATOM 288 C GLU A 39 21.435 13.348 18.278 1.00 0.00 ATOM 289 N ILE A 40 22.593 13.983 18.110 1.00 0.00 ATOM 290 CA ILE A 40 23.218 14.833 19.143 1.00 0.00 ATOM 291 CB ILE A 40 24.662 15.260 18.747 1.00 0.00 ATOM 292 CG1 ILE A 40 25.511 14.047 18.312 1.00 0.00 ATOM 293 CG2 ILE A 40 25.325 16.086 19.883 1.00 0.00 ATOM 294 CD1 ILE A 40 25.538 12.903 19.330 1.00 0.00 ATOM 295 O ILE A 40 22.254 16.423 20.695 1.00 0.00 ATOM 296 C ILE A 40 22.361 16.066 19.520 1.00 0.00 ATOM 297 N ALA A 41 21.757 16.698 18.526 1.00 0.00 ATOM 298 CA ALA A 41 20.851 17.820 18.763 1.00 0.00 ATOM 299 CB ALA A 41 20.497 18.480 17.429 1.00 0.00 ATOM 300 O ALA A 41 19.123 18.167 20.424 1.00 0.00 ATOM 301 C ALA A 41 19.567 17.428 19.533 1.00 0.00 ATOM 302 N VAL A 42 18.960 16.292 19.175 1.00 0.00 ATOM 303 CA VAL A 42 17.793 15.752 19.909 1.00 0.00 ATOM 304 CB VAL A 42 17.223 14.465 19.261 1.00 0.00 ATOM 305 CG1 VAL A 42 16.030 13.905 20.066 1.00 0.00 ATOM 306 CG2 VAL A 42 16.767 14.751 17.834 1.00 0.00 ATOM 307 O VAL A 42 17.506 15.789 22.295 1.00 0.00 ATOM 308 C VAL A 42 18.220 15.445 21.333 1.00 0.00 ATOM 309 N MET A 43 19.416 14.850 21.462 1.00 0.00 ATOM 310 CA MET A 43 19.999 14.557 22.786 1.00 0.00 ATOM 311 CB MET A 43 21.399 13.913 22.640 1.00 0.00 ATOM 312 CG MET A 43 22.084 13.371 23.954 1.00 0.00 ATOM 313 SD MET A 43 23.807 12.876 23.715 1.00 0.00 ATOM 314 CE MET A 43 24.557 14.473 23.801 1.00 0.00 ATOM 315 O MET A 43 19.540 15.845 24.794 1.00 0.00 ATOM 316 C MET A 43 20.038 15.832 23.661 1.00 0.00 ATOM 317 N THR A 44 20.628 16.907 23.154 1.00 0.00 ATOM 318 CA THR A 44 20.720 18.078 24.004 1.00 0.00 ATOM 319 CB THR A 44 21.806 19.036 23.532 1.00 0.00 ATOM 320 CG2 THR A 44 23.218 18.403 23.751 1.00 0.00 ATOM 321 OG1 THR A 44 21.619 19.291 22.146 1.00 0.00 ATOM 322 O THR A 44 19.069 19.273 25.232 1.00 0.00 ATOM 323 C THR A 44 19.369 18.795 24.162 1.00 0.00 ATOM 324 N ARG A 45 18.567 18.869 23.102 1.00 0.00 ATOM 325 CA ARG A 45 17.260 19.567 23.170 1.00 0.00 ATOM 326 CB ARG A 45 16.600 19.627 21.795 1.00 0.00 ATOM 327 CG ARG A 45 15.328 20.444 21.731 1.00 0.00 ATOM 328 CD ARG A 45 14.782 20.433 20.308 1.00 0.00 ATOM 329 NE ARG A 45 14.198 19.133 19.950 1.00 0.00 ATOM 330 CZ ARG A 45 14.620 18.329 18.963 1.00 0.00 ATOM 331 NH1 ARG A 45 15.657 18.666 18.182 1.00 0.00 ATOM 332 NH2 ARG A 45 13.989 17.173 18.753 1.00 0.00 ATOM 333 O ARG A 45 15.820 19.497 25.093 1.00 0.00 ATOM 334 C ARG A 45 16.348 18.863 24.190 1.00 0.00 ATOM 335 N GLU A 46 16.224 17.539 24.080 1.00 0.00 ATOM 336 CA GLU A 46 15.342 16.793 24.963 1.00 0.00 ATOM 337 CB GLU A 46 15.000 15.427 24.351 1.00 0.00 ATOM 338 CG GLU A 46 14.258 15.539 22.999 1.00 0.00 ATOM 339 CD GLU A 46 12.893 16.225 23.131 1.00 0.00 ATOM 340 OE1 GLU A 46 12.129 15.828 24.016 1.00 0.00 ATOM 341 OE2 GLU A 46 12.591 17.156 22.359 1.00 0.00 ATOM 342 O GLU A 46 15.019 16.436 27.302 1.00 0.00 ATOM 343 C GLU A 46 15.831 16.655 26.405 1.00 0.00 ATOM 344 N PHE A 47 17.149 16.786 26.626 1.00 0.00 ATOM 345 CA PHE A 47 17.741 16.823 27.975 1.00 0.00 ATOM 346 CB PHE A 47 19.271 16.960 27.892 1.00 0.00 ATOM 347 CG PHE A 47 19.986 16.764 29.198 1.00 0.00 ATOM 348 CD1 PHE A 47 19.699 15.670 30.026 1.00 0.00 ATOM 349 CD2 PHE A 47 21.014 17.627 29.575 1.00 0.00 ATOM 350 CE1 PHE A 47 20.386 15.470 31.226 1.00 0.00 ATOM 351 CE2 PHE A 47 21.734 17.417 30.788 1.00 0.00 ATOM 352 CZ PHE A 47 21.411 16.335 31.607 1.00 0.00 ATOM 353 O PHE A 47 16.987 17.822 30.047 1.00 0.00 ATOM 354 C PHE A 47 17.141 17.960 28.835 1.00 0.00 ATOM 355 N MET A 48 16.803 19.074 28.197 1.00 0.00 ATOM 356 CA MET A 48 16.164 20.170 28.888 1.00 0.00 ATOM 357 CB MET A 48 15.925 21.279 27.899 1.00 0.00 ATOM 358 CG MET A 48 17.166 21.552 27.130 1.00 0.00 ATOM 359 SD MET A 48 17.741 23.088 27.743 1.00 0.00 ATOM 360 CE MET A 48 16.795 24.093 26.608 1.00 0.00 ATOM 361 O MET A 48 14.452 20.332 30.568 1.00 0.00 ATOM 362 C MET A 48 14.837 19.761 29.542 1.00 0.00 ATOM 363 N ARG A 49 14.161 18.757 28.981 1.00 0.00 ATOM 364 CA ARG A 49 12.875 18.320 29.538 1.00 0.00 ATOM 365 CB ARG A 49 12.198 17.300 28.645 1.00 0.00 ATOM 366 CG ARG A 49 11.847 17.842 27.287 1.00 0.00 ATOM 367 CD ARG A 49 10.397 17.867 27.123 1.00 0.00 ATOM 368 NE ARG A 49 10.036 18.389 25.816 1.00 0.00 ATOM 369 CZ ARG A 49 8.801 18.733 25.478 1.00 0.00 ATOM 370 NH1 ARG A 49 8.566 19.204 24.261 1.00 0.00 ATOM 371 NH2 ARG A 49 7.806 18.612 26.356 1.00 0.00 ATOM 372 O ARG A 49 12.081 17.526 31.636 1.00 0.00 ATOM 373 C ARG A 49 13.054 17.742 30.925 1.00 0.00 ATOM 374 N PHE A 50 14.306 17.522 31.306 1.00 0.00 ATOM 375 CA PHE A 50 14.657 17.009 32.645 1.00 0.00 ATOM 376 CB PHE A 50 15.959 16.220 32.600 1.00 0.00 ATOM 377 CG PHE A 50 15.792 14.843 32.027 1.00 0.00 ATOM 378 CD1 PHE A 50 15.382 13.795 32.830 1.00 0.00 ATOM 379 CD2 PHE A 50 16.026 14.601 30.679 1.00 0.00 ATOM 380 CE1 PHE A 50 15.241 12.506 32.308 1.00 0.00 ATOM 381 CE2 PHE A 50 15.872 13.335 30.139 1.00 0.00 ATOM 382 CZ PHE A 50 15.470 12.281 30.947 1.00 0.00 ATOM 383 O PHE A 50 14.958 17.780 34.896 1.00 0.00 ATOM 384 C PHE A 50 14.702 18.082 33.721 1.00 0.00 ATOM 385 N GLY A 51 14.492 19.327 33.299 1.00 0.00 ATOM 386 CA GLY A 51 14.199 20.416 34.200 1.00 0.00 ATOM 387 O GLY A 51 15.436 21.896 35.584 1.00 0.00 ATOM 388 C GLY A 51 15.339 21.345 34.491 1.00 0.00 ATOM 389 N ILE A 52 16.215 21.521 33.516 1.00 0.00 ATOM 390 CA ILE A 52 17.339 22.458 33.669 1.00 0.00 ATOM 391 CB ILE A 52 18.719 21.802 33.449 1.00 0.00 ATOM 392 CG1 ILE A 52 18.839 21.231 32.021 1.00 0.00 ATOM 393 CG2 ILE A 52 19.029 20.841 34.566 1.00 0.00 ATOM 394 CD1 ILE A 52 18.614 19.713 31.918 1.00 0.00 ATOM 395 O ILE A 52 16.570 23.522 31.666 1.00 0.00 ATOM 396 C ILE A 52 17.227 23.631 32.702 1.00 0.00 ATOM 397 N LEU A 53 17.916 24.718 33.039 1.00 0.00 ATOM 398 CA LEU A 53 18.070 25.871 32.154 1.00 0.00 ATOM 399 CB LEU A 53 18.283 27.134 32.986 1.00 0.00 ATOM 400 CG LEU A 53 17.059 28.013 33.256 1.00 0.00 ATOM 401 CD1 LEU A 53 17.215 29.400 32.588 1.00 0.00 ATOM 402 CD2 LEU A 53 15.724 27.339 32.851 1.00 0.00 ATOM 403 O LEU A 53 20.200 24.994 31.434 1.00 0.00 ATOM 404 C LEU A 53 19.205 25.668 31.137 1.00 0.00 ATOM 405 N GLN A 54 19.041 26.255 29.947 1.00 0.00 ATOM 406 CA GLN A 54 19.899 25.982 28.796 1.00 0.00 ATOM 407 CB GLN A 54 19.472 26.841 27.607 1.00 0.00 ATOM 408 CG GLN A 54 19.838 26.318 26.213 1.00 0.00 ATOM 409 CD GLN A 54 18.943 26.944 25.136 1.00 0.00 ATOM 410 OE1 GLN A 54 17.722 27.031 25.314 1.00 0.00 ATOM 411 NE2 GLN A 54 19.546 27.407 24.027 1.00 0.00 ATOM 412 O GLN A 54 22.227 25.437 28.672 1.00 0.00 ATOM 413 C GLN A 54 21.374 26.194 29.123 1.00 0.00 ATOM 414 N ASP A 55 21.646 27.201 29.946 1.00 0.00 ATOM 415 CA ASP A 55 23.001 27.600 30.340 1.00 0.00 ATOM 416 CB ASP A 55 22.993 29.055 30.814 1.00 0.00 ATOM 417 CG ASP A 55 21.913 29.324 31.841 1.00 0.00 ATOM 418 OD1 ASP A 55 22.024 28.812 32.986 1.00 0.00 ATOM 419 OD2 ASP A 55 20.936 30.033 31.503 1.00 0.00 ATOM 420 O ASP A 55 24.782 26.976 31.801 1.00 0.00 ATOM 421 C ASP A 55 23.640 26.727 31.417 1.00 0.00 ATOM 422 N GLN A 56 22.900 25.740 31.912 1.00 0.00 ATOM 423 CA GLN A 56 23.434 24.716 32.813 1.00 0.00 ATOM 424 CB GLN A 56 22.391 24.293 33.864 1.00 0.00 ATOM 425 CG GLN A 56 21.984 25.406 34.851 1.00 0.00 ATOM 426 CD GLN A 56 20.864 24.972 35.822 1.00 0.00 ATOM 427 OE1 GLN A 56 19.761 24.597 35.398 1.00 0.00 ATOM 428 NE2 GLN A 56 21.144 25.049 37.135 1.00 0.00 ATOM 429 O GLN A 56 24.559 22.634 32.554 1.00 0.00 ATOM 430 C GLN A 56 23.829 23.475 32.042 1.00 0.00 ATOM 431 N VAL A 57 23.326 23.358 30.812 1.00 0.00 ATOM 432 CA VAL A 57 23.520 22.150 30.011 1.00 0.00 ATOM 433 CB VAL A 57 22.649 22.169 28.701 1.00 0.00 ATOM 434 CG1 VAL A 57 23.173 21.184 27.651 1.00 0.00 ATOM 435 CG2 VAL A 57 21.176 21.865 29.037 1.00 0.00 ATOM 436 O VAL A 57 25.521 20.829 29.940 1.00 0.00 ATOM 437 C VAL A 57 25.009 21.928 29.748 1.00 0.00 ATOM 438 N ASP A 58 25.719 22.984 29.364 1.00 0.00 ATOM 439 CA ASP A 58 27.114 22.815 28.942 1.00 0.00 ATOM 440 CB ASP A 58 27.678 24.087 28.275 1.00 0.00 ATOM 441 CG ASP A 58 27.334 24.179 26.763 1.00 0.00 ATOM 442 OD1 ASP A 58 27.281 23.139 26.051 1.00 0.00 ATOM 443 OD2 ASP A 58 27.151 25.317 26.268 1.00 0.00 ATOM 444 O ASP A 58 28.798 21.345 29.853 1.00 0.00 ATOM 445 C ASP A 58 27.991 22.249 30.083 1.00 0.00 ATOM 446 N LEU A 59 27.779 22.717 31.308 1.00 0.00 ATOM 447 CA LEU A 59 28.594 22.251 32.448 1.00 0.00 ATOM 448 CB LEU A 59 28.534 23.251 33.605 1.00 0.00 ATOM 449 CG LEU A 59 29.262 24.585 33.476 1.00 0.00 ATOM 450 CD1 LEU A 59 28.989 25.388 34.742 1.00 0.00 ATOM 451 CD2 LEU A 59 30.790 24.454 33.225 1.00 0.00 ATOM 452 O LEU A 59 29.069 20.166 33.581 1.00 0.00 ATOM 453 C LEU A 59 28.235 20.856 32.964 1.00 0.00 ATOM 454 N LEU A 60 26.984 20.459 32.753 1.00 0.00 ATOM 455 CA LEU A 60 26.559 19.096 33.094 1.00 0.00 ATOM 456 CB LEU A 60 25.037 18.954 33.055 1.00 0.00 ATOM 457 CG LEU A 60 24.294 19.434 34.291 1.00 0.00 ATOM 458 CD1 LEU A 60 22.825 19.492 33.971 1.00 0.00 ATOM 459 CD2 LEU A 60 24.586 18.505 35.454 1.00 0.00 ATOM 460 O LEU A 60 27.565 17.031 32.495 1.00 0.00 ATOM 461 C LEU A 60 27.179 18.132 32.126 1.00 0.00 ATOM 462 N LEU A 61 27.269 18.566 30.881 1.00 0.00 ATOM 463 CA LEU A 61 27.869 17.767 29.804 1.00 0.00 ATOM 464 CB LEU A 61 27.646 18.454 28.456 1.00 0.00 ATOM 465 CG LEU A 61 26.437 17.952 27.687 1.00 0.00 ATOM 466 CD1 LEU A 61 26.025 18.914 26.580 1.00 0.00 ATOM 467 CD2 LEU A 61 26.834 16.622 27.088 1.00 0.00 ATOM 468 O LEU A 61 29.924 16.517 29.751 1.00 0.00 ATOM 469 C LEU A 61 29.360 17.583 30.036 1.00 0.00 ATOM 470 N LYS A 62 29.970 18.636 30.576 1.00 0.00 ATOM 471 CA LYS A 62 31.371 18.665 30.953 1.00 0.00 ATOM 472 CB LYS A 62 31.746 20.116 31.247 1.00 0.00 ATOM 473 CG LYS A 62 32.984 20.643 30.553 1.00 0.00 ATOM 474 CD LYS A 62 33.156 22.153 30.841 1.00 0.00 ATOM 475 CE LYS A 62 33.888 22.414 32.171 1.00 0.00 ATOM 476 NZ LYS A 62 33.293 21.660 33.327 1.00 0.00 ATOM 477 O LYS A 62 32.640 17.179 32.342 1.00 0.00 ATOM 478 C LYS A 62 31.590 17.811 32.207 1.00 0.00 ATOM 479 N ALA A 63 30.625 17.807 33.131 1.00 0.00 ATOM 480 CA ALA A 63 30.693 16.939 34.316 1.00 0.00 ATOM 481 CB ALA A 63 29.567 17.241 35.291 1.00 0.00 ATOM 482 O ALA A 63 31.267 14.631 34.631 1.00 0.00 ATOM 483 C ALA A 63 30.658 15.457 33.942 1.00 0.00 ATOM 484 N SER A 64 29.953 15.123 32.856 1.00 0.00 ATOM 485 CA SER A 64 29.842 13.728 32.420 1.00 0.00 ATOM 486 CB SER A 64 28.758 13.566 31.324 1.00 0.00 ATOM 487 OG SER A 64 29.199 14.057 30.064 1.00 0.00 ATOM 488 O SER A 64 31.392 11.844 32.206 1.00 0.00 ATOM 489 C SER A 64 31.199 13.080 32.035 1.00 0.00 ATOM 490 N ASP A 65 32.136 13.905 31.555 1.00 0.00 ATOM 491 CA ASP A 65 33.473 13.414 31.205 1.00 0.00 ATOM 492 CB ASP A 65 34.266 14.421 30.334 1.00 0.00 ATOM 493 CG ASP A 65 33.481 14.938 29.140 1.00 0.00 ATOM 494 OD1 ASP A 65 32.895 14.131 28.379 1.00 0.00 ATOM 495 OD2 ASP A 65 33.460 16.166 28.951 1.00 0.00 ATOM 496 O ASP A 65 35.339 12.387 32.291 1.00 0.00 ATOM 497 C ASP A 65 34.325 13.052 32.428 1.00 0.00 ATOM 498 N SER A 66 33.959 13.524 33.610 1.00 0.00 ATOM 499 CA SER A 66 34.743 13.194 34.802 1.00 0.00 ATOM 500 CB SER A 66 34.844 14.393 35.750 1.00 0.00 ATOM 501 OG SER A 66 33.595 14.657 36.381 1.00 0.00 ATOM 502 O SER A 66 34.720 11.602 36.601 1.00 0.00 ATOM 503 C SER A 66 34.186 11.981 35.550 1.00 0.00 ATOM 504 N ILE A 67 33.106 11.384 35.045 1.00 0.00 ATOM 505 CA ILE A 67 32.583 10.199 35.695 1.00 0.00 ATOM 506 CB ILE A 67 31.152 10.354 36.294 1.00 0.00 ATOM 507 CG1 ILE A 67 30.102 10.595 35.196 1.00 0.00 ATOM 508 CG2 ILE A 67 31.155 11.339 37.517 1.00 0.00 ATOM 509 CD1 ILE A 67 28.789 9.794 35.410 1.00 0.00 ATOM 510 O ILE A 67 32.559 9.091 33.581 1.00 0.00 ATOM 511 C ILE A 67 32.652 8.988 34.797 1.00 0.00 ATOM 512 N GLU A 68 32.822 7.839 35.427 1.00 0.00 ATOM 513 CA GLU A 68 32.801 6.563 34.757 1.00 0.00 ATOM 514 CB GLU A 68 33.309 5.495 35.728 1.00 0.00 ATOM 515 CG GLU A 68 34.742 5.699 36.245 1.00 0.00 ATOM 516 CD GLU A 68 35.763 5.643 35.132 1.00 0.00 ATOM 517 OE1 GLU A 68 35.679 4.700 34.308 1.00 0.00 ATOM 518 OE2 GLU A 68 36.640 6.543 35.074 1.00 0.00 ATOM 519 O GLU A 68 30.387 6.319 34.980 1.00 0.00 ATOM 520 C GLU A 68 31.389 6.171 34.264 1.00 0.00 ATOM 521 N ALA A 69 31.324 5.581 33.067 1.00 0.00 ATOM 522 CA ALA A 69 30.050 5.050 32.573 1.00 0.00 ATOM 523 CB ALA A 69 30.197 4.410 31.155 1.00 0.00 ATOM 524 O ALA A 69 28.241 4.072 33.800 1.00 0.00 ATOM 525 C ALA A 69 29.446 4.087 33.593 1.00 0.00 ATOM 526 N SER A 70 30.271 3.308 34.278 1.00 0.00 ATOM 527 CA SER A 70 29.746 2.308 35.228 1.00 0.00 ATOM 528 CB SER A 70 30.858 1.334 35.651 1.00 0.00 ATOM 529 OG SER A 70 31.990 2.023 36.135 1.00 0.00 ATOM 530 O SER A 70 28.097 2.418 36.995 1.00 0.00 ATOM 531 C SER A 70 29.055 2.950 36.444 1.00 0.00 ATOM 532 N GLN A 71 29.523 4.129 36.828 1.00 0.00 ATOM 533 CA GLN A 71 28.910 4.867 37.916 1.00 0.00 ATOM 534 CB GLN A 71 29.875 5.965 38.384 1.00 0.00 ATOM 535 CG GLN A 71 29.311 6.944 39.397 1.00 0.00 ATOM 536 CD GLN A 71 28.870 6.329 40.722 1.00 0.00 ATOM 537 OE1 GLN A 71 29.122 5.136 41.024 1.00 0.00 ATOM 538 NE2 GLN A 71 28.209 7.150 41.536 1.00 0.00 ATOM 539 O GLN A 71 26.650 5.552 38.357 1.00 0.00 ATOM 540 C GLN A 71 27.581 5.483 37.530 1.00 0.00 ATOM 541 N ALA A 72 27.472 5.940 36.278 1.00 0.00 ATOM 542 CA ALA A 72 26.183 6.446 35.749 1.00 0.00 ATOM 543 CB ALA A 72 26.364 7.017 34.318 1.00 0.00 ATOM 544 O ALA A 72 23.987 5.554 36.101 1.00 0.00 ATOM 545 C ALA A 72 25.137 5.333 35.766 1.00 0.00 ATOM 546 N VAL A 73 25.537 4.129 35.379 1.00 0.00 ATOM 547 CA VAL A 73 24.647 2.955 35.432 1.00 0.00 ATOM 548 CB VAL A 73 25.362 1.668 34.933 1.00 0.00 ATOM 549 CG1 VAL A 73 24.492 0.400 35.196 1.00 0.00 ATOM 550 CG2 VAL A 73 25.787 1.777 33.405 1.00 0.00 ATOM 551 O VAL A 73 22.878 2.634 37.059 1.00 0.00 ATOM 552 C VAL A 73 24.099 2.721 36.858 1.00 0.00 ATOM 553 N ALA A 74 24.999 2.613 37.842 1.00 0.00 ATOM 554 CA ALA A 74 24.623 2.514 39.291 1.00 0.00 ATOM 555 CB ALA A 74 25.867 2.607 40.141 1.00 0.00 ATOM 556 O ALA A 74 22.630 3.339 40.431 1.00 0.00 ATOM 557 C ALA A 74 23.618 3.606 39.716 1.00 0.00 ATOM 558 N LEU A 75 23.883 4.844 39.277 1.00 0.00 ATOM 559 CA LEU A 75 23.022 5.994 39.619 1.00 0.00 ATOM 560 CB LEU A 75 23.686 7.310 39.197 1.00 0.00 ATOM 561 CG LEU A 75 24.843 7.738 40.073 1.00 0.00 ATOM 562 CD1 LEU A 75 25.661 8.830 39.365 1.00 0.00 ATOM 563 CD2 LEU A 75 24.279 8.218 41.427 1.00 0.00 ATOM 564 O LEU A 75 20.648 6.283 39.640 1.00 0.00 ATOM 565 C LEU A 75 21.623 5.925 38.998 1.00 0.00 ATOM 566 N ILE A 76 21.526 5.428 37.768 1.00 0.00 ATOM 567 CA ILE A 76 20.229 5.262 37.075 1.00 0.00 ATOM 568 CB ILE A 76 20.428 5.052 35.543 1.00 0.00 ATOM 569 CG1 ILE A 76 21.089 6.255 34.855 1.00 0.00 ATOM 570 CG2 ILE A 76 19.116 4.736 34.867 1.00 0.00 ATOM 571 CD1 ILE A 76 20.453 7.600 35.168 1.00 0.00 ATOM 572 O ILE A 76 18.279 4.037 37.902 1.00 0.00 ATOM 573 C ILE A 76 19.503 4.025 37.632 1.00 0.00 ATOM 574 N ALA A 77 20.262 2.944 37.786 1.00 0.00 ATOM 575 CA ALA A 77 19.681 1.666 38.193 1.00 0.00 ATOM 576 CB ALA A 77 20.760 0.567 38.280 1.00 0.00 ATOM 577 O ALA A 77 17.995 0.939 39.749 1.00 0.00 ATOM 578 C ALA A 77 18.916 1.753 39.500 1.00 0.00 ATOM 579 N ARG A 78 19.291 2.709 40.346 1.00 0.00 ATOM 580 CA ARG A 78 18.665 2.812 41.665 1.00 0.00 ATOM 581 CB ARG A 78 19.696 3.162 42.732 1.00 0.00 ATOM 582 CG ARG A 78 20.174 4.624 42.736 1.00 0.00 ATOM 583 CD ARG A 78 21.397 4.722 43.653 1.00 0.00 ATOM 584 NE ARG A 78 21.777 6.090 44.036 1.00 0.00 ATOM 585 CZ ARG A 78 22.883 6.396 44.733 1.00 0.00 ATOM 586 NH1 ARG A 78 23.707 5.436 45.130 1.00 0.00 ATOM 587 NH2 ARG A 78 23.177 7.654 45.041 1.00 0.00 ATOM 588 O ARG A 78 16.956 4.076 42.795 1.00 0.00 ATOM 589 C ARG A 78 17.483 3.788 41.717 1.00 0.00 ATOM 590 N MET A 79 17.072 4.303 40.567 1.00 0.00 ATOM 591 CA MET A 79 15.936 5.242 40.539 1.00 0.00 ATOM 592 CB MET A 79 15.930 6.105 39.262 1.00 0.00 ATOM 593 CG MET A 79 17.072 7.095 39.138 1.00 0.00 ATOM 594 SD MET A 79 17.109 8.121 37.618 1.00 0.00 ATOM 595 CE MET A 79 16.437 7.104 36.421 1.00 0.00 ATOM 596 O MET A 79 14.507 3.312 40.269 1.00 0.00 ATOM 597 C MET A 79 14.598 4.479 40.647 1.00 0.00 ATOM 598 N ASP A 80 13.560 5.172 41.110 1.00 0.00 ATOM 599 CA ASP A 80 12.196 4.636 41.131 1.00 0.00 ATOM 600 CB ASP A 80 11.294 5.635 41.821 1.00 0.00 ATOM 601 CG ASP A 80 11.404 7.011 41.185 1.00 0.00 ATOM 602 OD1 ASP A 80 12.374 7.736 41.473 1.00 0.00 ATOM 603 OD2 ASP A 80 10.562 7.342 40.341 1.00 0.00 ATOM 604 O ASP A 80 12.272 5.006 38.748 1.00 0.00 ATOM 605 C ASP A 80 11.716 4.422 39.695 1.00 0.00 ATOM 606 N GLU A 81 10.683 3.597 39.523 1.00 0.00 ATOM 607 CA GLU A 81 10.252 3.209 38.179 1.00 0.00 ATOM 608 CB GLU A 81 9.192 2.111 38.219 1.00 0.00 ATOM 609 CG GLU A 81 9.652 0.799 38.855 1.00 0.00 ATOM 610 CD GLU A 81 10.816 0.163 38.135 1.00 0.00 ATOM 611 OE1 GLU A 81 10.877 0.232 36.897 1.00 0.00 ATOM 612 OE2 GLU A 81 11.675 -0.419 38.826 1.00 0.00 ATOM 613 O GLU A 81 9.933 4.334 36.093 1.00 0.00 ATOM 614 C GLU A 81 9.756 4.366 37.306 1.00 0.00 ATOM 615 N GLU A 82 9.144 5.379 37.902 1.00 0.00 ATOM 616 CA GLU A 82 8.654 6.523 37.109 1.00 0.00 ATOM 617 CB GLU A 82 7.771 7.471 37.944 1.00 0.00 ATOM 618 CG GLU A 82 7.435 8.820 37.272 1.00 0.00 ATOM 619 CD GLU A 82 5.933 9.169 37.154 1.00 0.00 ATOM 620 OE1 GLU A 82 5.293 8.758 36.145 1.00 0.00 ATOM 621 OE2 GLU A 82 5.388 9.903 38.019 1.00 0.00 ATOM 622 O GLU A 82 9.738 7.605 35.226 1.00 0.00 ATOM 623 C GLU A 82 9.811 7.257 36.416 1.00 0.00 ATOM 624 N ARG A 83 10.873 7.495 37.159 1.00 0.00 ATOM 625 CA ARG A 83 12.044 8.172 36.612 1.00 0.00 ATOM 626 CB ARG A 83 12.912 8.760 37.744 1.00 0.00 ATOM 627 CG ARG A 83 12.283 10.096 38.238 1.00 0.00 ATOM 628 CD ARG A 83 13.120 10.848 39.259 1.00 0.00 ATOM 629 NE ARG A 83 13.757 9.942 40.235 1.00 0.00 ATOM 630 CZ ARG A 83 14.970 10.128 40.768 1.00 0.00 ATOM 631 NH1 ARG A 83 15.475 9.245 41.619 1.00 0.00 ATOM 632 NH2 ARG A 83 15.697 11.181 40.448 1.00 0.00 ATOM 633 O ARG A 83 13.133 7.790 34.552 1.00 0.00 ATOM 634 C ARG A 83 12.786 7.300 35.607 1.00 0.00 ATOM 635 N LYS A 84 12.902 5.988 35.880 1.00 0.00 ATOM 636 CA LYS A 84 13.445 5.045 34.909 1.00 0.00 ATOM 637 CB LYS A 84 13.451 3.608 35.477 1.00 0.00 ATOM 638 CG LYS A 84 14.572 3.363 36.423 1.00 0.00 ATOM 639 CD LYS A 84 14.582 1.914 36.907 1.00 0.00 ATOM 640 CE LYS A 84 15.800 1.669 37.760 1.00 0.00 ATOM 641 NZ LYS A 84 16.195 0.186 37.846 1.00 0.00 ATOM 642 O LYS A 84 13.345 5.002 32.501 1.00 0.00 ATOM 643 C LYS A 84 12.710 5.066 33.556 1.00 0.00 ATOM 644 N LYS A 85 11.384 5.122 33.603 1.00 0.00 ATOM 645 CA LYS A 85 10.546 5.163 32.413 1.00 0.00 ATOM 646 CB LYS A 85 9.059 5.098 32.825 1.00 0.00 ATOM 647 CG LYS A 85 8.076 5.466 31.740 1.00 0.00 ATOM 648 CD LYS A 85 6.638 5.385 32.226 1.00 0.00 ATOM 649 CE LYS A 85 5.674 5.645 31.091 1.00 0.00 ATOM 650 NZ LYS A 85 5.181 7.059 31.040 1.00 0.00 ATOM 651 O LYS A 85 10.908 6.356 30.324 1.00 0.00 ATOM 652 C LYS A 85 10.833 6.408 31.560 1.00 0.00 ATOM 653 N TYR A 86 11.002 7.529 32.246 1.00 0.00 ATOM 654 CA TYR A 86 11.312 8.781 31.613 1.00 0.00 ATOM 655 CB TYR A 86 11.253 9.857 32.674 1.00 0.00 ATOM 656 CG TYR A 86 11.003 11.211 32.101 1.00 0.00 ATOM 657 CD1 TYR A 86 12.043 12.137 31.987 1.00 0.00 ATOM 658 CD2 TYR A 86 9.726 11.574 31.648 1.00 0.00 ATOM 659 CE1 TYR A 86 11.839 13.378 31.441 1.00 0.00 ATOM 660 CE2 TYR A 86 9.508 12.847 31.102 1.00 0.00 ATOM 661 CZ TYR A 86 10.572 13.733 31.014 1.00 0.00 ATOM 662 OH TYR A 86 10.384 14.995 30.500 1.00 0.00 ATOM 663 O TYR A 86 12.936 9.118 29.838 1.00 0.00 ATOM 664 C TYR A 86 12.726 8.725 30.997 1.00 0.00 ATOM 665 N VAL A 87 13.694 8.191 31.740 1.00 0.00 ATOM 666 CA VAL A 87 15.043 8.025 31.162 1.00 0.00 ATOM 667 CB VAL A 87 16.099 7.549 32.181 1.00 0.00 ATOM 668 CG1 VAL A 87 17.473 7.417 31.503 1.00 0.00 ATOM 669 CG2 VAL A 87 16.201 8.538 33.333 1.00 0.00 ATOM 670 O VAL A 87 15.694 7.418 28.943 1.00 0.00 ATOM 671 C VAL A 87 15.035 7.106 29.954 1.00 0.00 ATOM 672 N ALA A 88 14.334 5.963 30.044 1.00 0.00 ATOM 673 CA ALA A 88 14.194 5.072 28.868 1.00 0.00 ATOM 674 CB ALA A 88 13.432 3.776 29.226 1.00 0.00 ATOM 675 O ALA A 88 13.863 5.525 26.514 1.00 0.00 ATOM 676 C ALA A 88 13.514 5.767 27.674 1.00 0.00 ATOM 677 N SER A 89 12.531 6.618 27.953 1.00 0.00 ATOM 678 CA SER A 89 11.781 7.268 26.869 1.00 0.00 ATOM 679 CB SER A 89 10.506 7.983 27.375 1.00 0.00 ATOM 680 OG SER A 89 9.722 7.072 28.129 1.00 0.00 ATOM 681 O SER A 89 12.733 8.227 24.923 1.00 0.00 ATOM 682 C SER A 89 12.712 8.201 26.144 1.00 0.00 ATOM 683 N TYR A 90 13.509 8.917 26.921 1.00 0.00 ATOM 684 CA TYR A 90 14.517 9.857 26.439 1.00 0.00 ATOM 685 CB TYR A 90 15.212 10.501 27.650 1.00 0.00 ATOM 686 CG TYR A 90 16.458 11.297 27.311 1.00 0.00 ATOM 687 CD1 TYR A 90 16.377 12.430 26.496 1.00 0.00 ATOM 688 CD2 TYR A 90 17.729 10.919 27.806 1.00 0.00 ATOM 689 CE1 TYR A 90 17.495 13.156 26.186 1.00 0.00 ATOM 690 CE2 TYR A 90 18.866 11.673 27.507 1.00 0.00 ATOM 691 CZ TYR A 90 18.742 12.793 26.695 1.00 0.00 ATOM 692 OH TYR A 90 19.843 13.573 26.359 1.00 0.00 ATOM 693 O TYR A 90 15.862 9.627 24.453 1.00 0.00 ATOM 694 C TYR A 90 15.552 9.167 25.549 1.00 0.00 ATOM 695 N LEU A 91 16.056 8.023 26.008 1.00 0.00 ATOM 696 CA LEU A 91 17.055 7.320 25.253 1.00 0.00 ATOM 697 CB LEU A 91 17.704 6.214 26.078 1.00 0.00 ATOM 698 CG LEU A 91 18.631 6.693 27.217 1.00 0.00 ATOM 699 CD1 LEU A 91 18.954 5.531 28.111 1.00 0.00 ATOM 700 CD2 LEU A 91 19.938 7.376 26.701 1.00 0.00 ATOM 701 O LEU A 91 17.100 6.869 22.920 1.00 0.00 ATOM 702 C LEU A 91 16.449 6.830 23.942 1.00 0.00 ATOM 703 N GLY A 92 15.168 6.469 23.977 1.00 0.00 ATOM 704 CA GLY A 92 14.481 5.936 22.849 1.00 0.00 ATOM 705 O GLY A 92 14.163 6.553 20.574 1.00 0.00 ATOM 706 C GLY A 92 14.174 6.927 21.758 1.00 0.00 ATOM 707 N VAL A 93 13.924 8.178 22.135 1.00 0.00 ATOM 708 CA VAL A 93 13.651 9.204 21.146 1.00 0.00 ATOM 709 CB VAL A 93 12.765 10.361 21.692 1.00 0.00 ATOM 710 CG1 VAL A 93 11.511 9.808 22.386 1.00 0.00 ATOM 711 CG2 VAL A 93 13.558 11.255 22.593 1.00 0.00 ATOM 712 O VAL A 93 14.796 10.359 19.415 1.00 0.00 ATOM 713 C VAL A 93 14.900 9.795 20.507 1.00 0.00 ATOM 714 N ILE A 94 16.066 9.683 21.166 1.00 0.00 ATOM 715 CA ILE A 94 17.326 10.212 20.598 1.00 0.00 ATOM 716 CB ILE A 94 18.521 10.058 21.562 1.00 0.00 ATOM 717 CG1 ILE A 94 18.434 11.119 22.640 1.00 0.00 ATOM 718 CG2 ILE A 94 19.892 10.130 20.809 1.00 0.00 ATOM 719 CD1 ILE A 94 19.295 10.814 23.877 1.00 0.00 ATOM 720 O ILE A 94 17.992 10.379 18.286 1.00 0.00 ATOM 721 C ILE A 94 17.645 9.633 19.215 1.00 0.00 ATOM 722 N MET A 95 17.506 8.317 19.065 1.00 0.00 ATOM 723 CA MET A 95 17.863 7.699 17.800 1.00 0.00 ATOM 724 CB MET A 95 18.669 6.396 18.011 1.00 0.00 ATOM 725 CG MET A 95 20.053 6.595 18.714 1.00 0.00 ATOM 726 SD MET A 95 20.920 5.047 18.815 1.00 0.00 ATOM 727 CE MET A 95 19.698 4.160 19.754 1.00 0.00 ATOM 728 O MET A 95 16.865 7.120 15.696 1.00 0.00 ATOM 729 C MET A 95 16.677 7.548 16.834 1.00 0.00 ATOM 730 N ALA A 96 15.469 7.902 17.270 1.00 0.00 ATOM 731 CA ALA A 96 14.319 7.826 16.372 1.00 0.00 ATOM 732 CB ALA A 96 12.975 7.862 17.144 1.00 0.00 ATOM 733 O ALA A 96 14.861 10.057 15.645 1.00 0.00 ATOM 734 C ALA A 96 14.391 8.954 15.346 1.00 0.00 ATOM 735 N SER A 97 13.936 8.653 14.132 1.00 0.00 ATOM 736 CA SER A 97 13.872 9.632 13.058 1.00 0.00 ATOM 737 CB SER A 97 15.049 9.443 12.091 1.00 0.00 ATOM 738 OG SER A 97 15.346 10.664 11.414 1.00 0.00 ATOM 739 O SER A 97 12.259 8.414 11.756 1.00 0.00 ATOM 740 C SER A 97 12.525 9.458 12.364 1.00 0.00 ATOM 741 N ASP A 98 11.671 10.476 12.491 1.00 0.00 ATOM 742 CA ASP A 98 10.282 10.443 12.001 1.00 0.00 ATOM 743 CB ASP A 98 10.228 10.332 10.460 1.00 0.00 ATOM 744 CG ASP A 98 10.280 11.695 9.753 1.00 0.00 ATOM 745 OD1 ASP A 98 10.541 12.738 10.402 1.00 0.00 ATOM 746 OD2 ASP A 98 10.046 11.725 8.528 1.00 0.00 ATOM 747 O ASP A 98 8.562 8.720 12.072 1.00 0.00 ATOM 748 C ASP A 98 9.440 9.344 12.700 1.00 0.00 ATOM 749 N GLY A 99 9.722 9.117 13.992 1.00 0.00 ATOM 750 CA GLY A 99 8.967 8.177 14.829 1.00 0.00 ATOM 751 O GLY A 99 8.518 5.803 14.990 1.00 0.00 ATOM 752 C GLY A 99 9.268 6.716 14.560 1.00 0.00 ATOM 753 N ASP A 100 10.342 6.494 13.808 1.00 0.00 ATOM 754 CA ASP A 100 10.821 5.142 13.521 1.00 0.00 ATOM 755 CB ASP A 100 10.675 4.807 12.034 1.00 0.00 ATOM 756 CG ASP A 100 9.219 4.594 11.625 1.00 0.00 ATOM 757 OD1 ASP A 100 8.407 4.158 12.477 1.00 0.00 ATOM 758 OD2 ASP A 100 8.884 4.860 10.451 1.00 0.00 ATOM 759 O ASP A 100 13.086 5.835 13.966 1.00 0.00 ATOM 760 C ASP A 100 12.262 4.931 13.997 1.00 0.00 ATOM 761 N ILE A 101 12.545 3.713 14.441 1.00 0.00 ATOM 762 CA ILE A 101 13.872 3.355 14.844 1.00 0.00 ATOM 763 CB ILE A 101 13.918 3.264 16.402 1.00 0.00 ATOM 764 CG1 ILE A 101 15.352 3.344 16.938 1.00 0.00 ATOM 765 CG2 ILE A 101 13.133 2.058 16.912 1.00 0.00 ATOM 766 CD1 ILE A 101 15.451 3.268 18.512 1.00 0.00 ATOM 767 O ILE A 101 13.463 1.138 13.982 1.00 0.00 ATOM 768 C ILE A 101 14.270 2.067 14.100 1.00 0.00 ATOM 769 N ASP A 102 15.481 2.017 13.548 1.00 0.00 ATOM 770 CA ASP A 102 15.904 0.785 12.887 1.00 0.00 ATOM 771 CB ASP A 102 16.933 1.009 11.751 1.00 0.00 ATOM 772 CG ASP A 102 18.330 1.366 12.245 1.00 0.00 ATOM 773 OD1 ASP A 102 18.784 0.853 13.286 1.00 0.00 ATOM 774 OD2 ASP A 102 19.003 2.155 11.541 1.00 0.00 ATOM 775 O ASP A 102 16.476 0.091 15.094 1.00 0.00 ATOM 776 C ASP A 102 16.338 -0.244 13.912 1.00 0.00 ATOM 777 N ASP A 103 16.536 -1.488 13.456 1.00 0.00 ATOM 778 CA ASP A 103 16.752 -2.647 14.325 1.00 0.00 ATOM 779 CB ASP A 103 16.772 -3.942 13.516 1.00 0.00 ATOM 780 CG ASP A 103 15.540 -4.129 12.670 1.00 0.00 ATOM 781 OD1 ASP A 103 14.405 -4.053 13.176 1.00 0.00 ATOM 782 OD2 ASP A 103 15.716 -4.365 11.469 1.00 0.00 ATOM 783 O ASP A 103 18.116 -3.143 16.243 1.00 0.00 ATOM 784 C ASP A 103 18.048 -2.588 15.139 1.00 0.00 ATOM 785 N ASN A 104 19.065 -1.942 14.570 1.00 0.00 ATOM 786 CA ASN A 104 20.372 -1.826 15.220 1.00 0.00 ATOM 787 CB ASN A 104 21.452 -1.444 14.209 1.00 0.00 ATOM 788 CG ASN A 104 21.466 -2.372 13.003 1.00 0.00 ATOM 789 ND2 ASN A 104 21.463 -1.790 11.800 1.00 0.00 ATOM 790 OD1 ASN A 104 21.472 -3.608 13.153 1.00 0.00 ATOM 791 O ASN A 104 20.832 -1.114 17.443 1.00 0.00 ATOM 792 C ASN A 104 20.312 -0.837 16.362 1.00 0.00 ATOM 793 N GLU A 105 19.670 0.298 16.100 1.00 0.00 ATOM 794 CA GLU A 105 19.338 1.320 17.085 1.00 0.00 ATOM 795 CB GLU A 105 18.647 2.494 16.392 1.00 0.00 ATOM 796 CG GLU A 105 19.611 3.500 15.910 1.00 0.00 ATOM 797 CD GLU A 105 19.359 3.968 14.482 1.00 0.00 ATOM 798 OE1 GLU A 105 18.211 4.362 14.148 1.00 0.00 ATOM 799 OE2 GLU A 105 20.350 3.946 13.703 1.00 0.00 ATOM 800 O GLU A 105 18.669 1.073 19.362 1.00 0.00 ATOM 801 C GLU A 105 18.441 0.794 18.194 1.00 0.00 ATOM 802 N LEU A 106 17.432 0.021 17.818 1.00 0.00 ATOM 803 CA LEU A 106 16.553 -0.624 18.761 1.00 0.00 ATOM 804 CB LEU A 106 15.416 -1.375 18.050 1.00 0.00 ATOM 805 CG LEU A 106 14.516 -2.261 18.940 1.00 0.00 ATOM 806 CD1 LEU A 106 13.857 -1.476 20.097 1.00 0.00 ATOM 807 CD2 LEU A 106 13.456 -2.996 18.090 1.00 0.00 ATOM 808 O LEU A 106 17.128 -1.562 20.873 1.00 0.00 ATOM 809 C LEU A 106 17.348 -1.556 19.662 1.00 0.00 ATOM 810 N ALA A 107 18.280 -2.310 19.080 1.00 0.00 ATOM 811 CA ALA A 107 19.127 -3.185 19.867 1.00 0.00 ATOM 812 CB ALA A 107 19.996 -4.113 18.950 1.00 0.00 ATOM 813 O ALA A 107 20.218 -2.900 21.974 1.00 0.00 ATOM 814 C ALA A 107 19.999 -2.430 20.862 1.00 0.00 ATOM 815 N LEU A 108 20.527 -1.276 20.457 1.00 0.00 ATOM 816 CA LEU A 108 21.392 -0.495 21.338 1.00 0.00 ATOM 817 CB LEU A 108 22.093 0.623 20.584 1.00 0.00 ATOM 818 CG LEU A 108 23.218 0.212 19.637 1.00 0.00 ATOM 819 CD1 LEU A 108 23.607 1.408 18.746 1.00 0.00 ATOM 820 CD2 LEU A 108 24.394 -0.310 20.428 1.00 0.00 ATOM 821 O LEU A 108 21.115 0.122 23.662 1.00 0.00 ATOM 822 C LEU A 108 20.621 0.098 22.510 1.00 0.00 ATOM 823 N TRP A 109 19.429 0.589 22.195 1.00 0.00 ATOM 824 CA TRP A 109 18.488 1.091 23.176 1.00 0.00 ATOM 825 CB TRP A 109 17.328 1.813 22.445 1.00 0.00 ATOM 826 CG TRP A 109 16.214 2.289 23.311 1.00 0.00 ATOM 827 CD1 TRP A 109 16.325 2.823 24.566 1.00 0.00 ATOM 828 CD2 TRP A 109 14.808 2.346 22.974 1.00 0.00 ATOM 829 CE2 TRP A 109 14.137 2.890 24.087 1.00 0.00 ATOM 830 CE3 TRP A 109 14.053 1.955 21.851 1.00 0.00 ATOM 831 NE1 TRP A 109 15.082 3.172 25.039 1.00 0.00 ATOM 832 CZ2 TRP A 109 12.751 3.047 24.125 1.00 0.00 ATOM 833 CZ3 TRP A 109 12.670 2.111 21.889 1.00 0.00 ATOM 834 CH2 TRP A 109 12.037 2.680 23.004 1.00 0.00 ATOM 835 O TRP A 109 18.037 0.088 25.286 1.00 0.00 ATOM 836 C TRP A 109 18.043 -0.063 24.087 1.00 0.00 ATOM 837 N THR A 110 17.806 -1.260 23.547 1.00 0.00 ATOM 838 CA THR A 110 17.412 -2.380 24.404 1.00 0.00 ATOM 839 CB THR A 110 17.025 -3.615 23.599 1.00 0.00 ATOM 840 CG2 THR A 110 16.667 -4.709 24.497 1.00 0.00 ATOM 841 OG1 THR A 110 15.891 -3.326 22.797 1.00 0.00 ATOM 842 O THR A 110 18.332 -2.921 26.570 1.00 0.00 ATOM 843 C THR A 110 18.555 -2.740 25.341 1.00 0.00 ATOM 844 N LEU A 111 19.779 -2.820 24.799 1.00 0.00 ATOM 845 CA LEU A 111 20.921 -3.219 25.657 1.00 0.00 ATOM 846 CB LEU A 111 22.200 -3.480 24.841 1.00 0.00 ATOM 847 CG LEU A 111 23.501 -3.790 25.601 1.00 0.00 ATOM 848 CD1 LEU A 111 23.420 -5.110 26.400 1.00 0.00 ATOM 849 CD2 LEU A 111 24.697 -3.814 24.606 1.00 0.00 ATOM 850 O LEU A 111 21.304 -2.725 27.956 1.00 0.00 ATOM 851 C LEU A 111 21.165 -2.266 26.825 1.00 0.00 ATOM 852 N ILE A 112 21.193 -0.947 26.561 1.00 0.00 ATOM 853 CA ILE A 112 21.412 0.053 27.630 1.00 0.00 ATOM 854 CB ILE A 112 21.650 1.487 27.076 1.00 0.00 ATOM 855 CG1 ILE A 112 22.208 2.437 28.152 1.00 0.00 ATOM 856 CG2 ILE A 112 20.387 2.062 26.523 1.00 0.00 ATOM 857 CD1 ILE A 112 23.224 3.482 27.619 1.00 0.00 ATOM 858 O ILE A 112 20.531 0.086 29.854 1.00 0.00 ATOM 859 C ILE A 112 20.293 0.027 28.653 1.00 0.00 ATOM 860 N SER A 113 19.056 -0.087 28.177 1.00 0.00 ATOM 861 CA SER A 113 17.914 -0.252 29.064 1.00 0.00 ATOM 862 CB SER A 113 16.643 -0.361 28.229 1.00 0.00 ATOM 863 OG SER A 113 16.425 0.864 27.560 1.00 0.00 ATOM 864 O SER A 113 17.814 -1.382 31.167 1.00 0.00 ATOM 865 C SER A 113 18.069 -1.477 29.970 1.00 0.00 ATOM 866 N THR A 114 18.480 -2.619 29.396 1.00 0.00 ATOM 867 CA THR A 114 18.695 -3.830 30.190 1.00 0.00 ATOM 868 CB THR A 114 19.150 -5.035 29.324 1.00 0.00 ATOM 869 CG2 THR A 114 19.383 -6.325 30.197 1.00 0.00 ATOM 870 OG1 THR A 114 18.147 -5.307 28.335 1.00 0.00 ATOM 871 O THR A 114 19.453 -3.849 32.482 1.00 0.00 ATOM 872 C THR A 114 19.718 -3.547 31.316 1.00 0.00 ATOM 873 N LEU A 115 20.848 -2.928 30.968 1.00 0.00 ATOM 874 CA LEU A 115 21.941 -2.735 31.903 1.00 0.00 ATOM 875 CB LEU A 115 23.259 -2.320 31.216 1.00 0.00 ATOM 876 CG LEU A 115 24.053 -3.277 30.301 1.00 0.00 ATOM 877 CD1 LEU A 115 25.559 -3.072 30.455 1.00 0.00 ATOM 878 CD2 LEU A 115 23.735 -4.757 30.466 1.00 0.00 ATOM 879 O LEU A 115 22.000 -1.965 34.170 1.00 0.00 ATOM 880 C LEU A 115 21.572 -1.771 33.032 1.00 0.00 ATOM 881 N CYS A 116 20.743 -0.775 32.714 1.00 0.00 ATOM 882 CA CYS A 116 20.362 0.264 33.670 1.00 0.00 ATOM 883 CB CYS A 116 20.192 1.607 32.945 1.00 0.00 ATOM 884 SG CYS A 116 21.731 2.382 32.411 1.00 0.00 ATOM 885 O CYS A 116 18.608 0.654 35.238 1.00 0.00 ATOM 886 C CYS A 116 19.056 -0.102 34.400 1.00 0.00 ATOM 887 N GLY A 117 18.446 -1.238 34.051 1.00 0.00 ATOM 888 CA GLY A 117 17.159 -1.644 34.625 1.00 0.00 ATOM 889 O GLY A 117 15.013 -0.638 35.115 1.00 0.00 ATOM 890 C GLY A 117 15.928 -0.802 34.269 1.00 0.00 ATOM 891 N LEU A 118 15.914 -0.269 33.028 1.00 0.00 ATOM 892 CA LEU A 118 14.813 0.549 32.514 1.00 0.00 ATOM 893 CB LEU A 118 15.316 1.531 31.437 1.00 0.00 ATOM 894 CG LEU A 118 16.574 2.344 31.799 1.00 0.00 ATOM 895 CD1 LEU A 118 17.115 3.152 30.625 1.00 0.00 ATOM 896 CD2 LEU A 118 16.368 3.243 33.050 1.00 0.00 ATOM 897 O LEU A 118 14.077 -1.494 31.481 1.00 0.00 ATOM 898 C LEU A 118 13.743 -0.378 31.922 1.00 0.00 ATOM 899 N PRO A 119 12.468 0.074 31.896 1.00 0.00 ATOM 900 CA PRO A 119 11.403 -0.763 31.321 1.00 0.00 ATOM 901 CB PRO A 119 10.138 -0.064 31.788 1.00 0.00 ATOM 902 CG PRO A 119 10.533 1.391 31.813 1.00 0.00 ATOM 903 CD PRO A 119 11.936 1.353 32.403 1.00 0.00 ATOM 904 O PRO A 119 11.946 0.194 29.177 1.00 0.00 ATOM 905 C PRO A 119 11.473 -0.779 29.796 1.00 0.00 ATOM 906 N THR A 120 11.055 -1.890 29.193 1.00 0.00 ATOM 907 CA THR A 120 10.986 -1.978 27.738 1.00 0.00 ATOM 908 CB THR A 120 11.067 -3.456 27.173 1.00 0.00 ATOM 909 CG2 THR A 120 11.855 -4.364 28.061 1.00 0.00 ATOM 910 OG1 THR A 120 9.757 -4.003 26.962 1.00 0.00 ATOM 911 O THR A 120 8.697 -1.299 27.982 1.00 0.00 ATOM 912 C THR A 120 9.721 -1.263 27.291 1.00 0.00 ATOM 913 N MET A 121 9.820 -0.568 26.164 1.00 0.00 ATOM 914 CA MET A 121 8.697 0.116 25.546 1.00 0.00 ATOM 915 CB MET A 121 8.500 1.524 26.147 1.00 0.00 ATOM 916 CG MET A 121 9.706 2.442 26.013 1.00 0.00 ATOM 917 SD MET A 121 9.598 4.115 26.704 1.00 0.00 ATOM 918 CE MET A 121 9.767 3.790 28.431 1.00 0.00 ATOM 919 O MET A 121 10.084 0.027 23.558 1.00 0.00 ATOM 920 C MET A 121 8.952 0.192 24.031 1.00 0.00 ATOM 921 N THR A 122 7.892 0.418 23.267 1.00 0.00 ATOM 922 CA THR A 122 8.045 0.730 21.837 1.00 0.00 ATOM 923 CB THR A 122 6.750 0.542 21.061 1.00 0.00 ATOM 924 CG2 THR A 122 6.138 -0.815 21.369 1.00 0.00 ATOM 925 OG1 THR A 122 5.834 1.565 21.443 1.00 0.00 ATOM 926 O THR A 122 8.360 2.976 22.632 1.00 0.00 ATOM 927 C THR A 122 8.478 2.184 21.694 1.00 0.00 ATOM 928 N VAL A 123 8.947 2.516 20.494 1.00 0.00 ATOM 929 CA VAL A 123 9.469 3.831 20.201 1.00 0.00 ATOM 930 CB VAL A 123 10.316 3.801 18.890 1.00 0.00 ATOM 931 CG1 VAL A 123 9.500 3.254 17.694 1.00 0.00 ATOM 932 CG2 VAL A 123 10.933 5.164 18.590 1.00 0.00 ATOM 933 O VAL A 123 8.497 6.012 20.592 1.00 0.00 ATOM 934 C VAL A 123 8.305 4.846 20.217 1.00 0.00 ATOM 935 N MET A 124 7.103 4.378 19.836 1.00 0.00 ATOM 936 CA MET A 124 5.872 5.159 19.938 1.00 0.00 ATOM 937 CB MET A 124 4.679 4.378 19.369 1.00 0.00 ATOM 938 CG MET A 124 3.302 5.056 19.545 1.00 0.00 ATOM 939 SD MET A 124 1.985 4.427 18.468 1.00 0.00 ATOM 940 CE MET A 124 2.416 5.101 16.854 1.00 0.00 ATOM 941 O MET A 124 5.364 6.774 21.635 1.00 0.00 ATOM 942 C MET A 124 5.599 5.585 21.384 1.00 0.00 ATOM 943 N GLU A 125 5.612 4.620 22.310 1.00 0.00 ATOM 944 CA GLU A 125 5.443 4.881 23.753 1.00 0.00 ATOM 945 CB GLU A 125 5.408 3.577 24.558 1.00 0.00 ATOM 946 CG GLU A 125 4.062 2.852 24.523 1.00 0.00 ATOM 947 CD GLU A 125 4.184 1.359 24.872 1.00 0.00 ATOM 948 OE1 GLU A 125 5.313 0.843 25.058 1.00 0.00 ATOM 949 OE2 GLU A 125 3.126 0.696 24.942 1.00 0.00 ATOM 950 O GLU A 125 6.273 6.614 25.183 1.00 0.00 ATOM 951 C GLU A 125 6.543 5.787 24.315 1.00 0.00 ATOM 952 N ALA A 126 7.769 5.604 23.836 1.00 0.00 ATOM 953 CA ALA A 126 8.872 6.524 24.132 1.00 0.00 ATOM 954 CB ALA A 126 10.136 6.071 23.472 1.00 0.00 ATOM 955 O ALA A 126 8.755 8.877 24.533 1.00 0.00 ATOM 956 C ALA A 126 8.575 7.966 23.728 1.00 0.00 ATOM 957 N ILE A 127 8.151 8.148 22.472 1.00 0.00 ATOM 958 CA ILE A 127 7.903 9.474 21.886 1.00 0.00 ATOM 959 CB ILE A 127 7.654 9.358 20.340 1.00 0.00 ATOM 960 CG1 ILE A 127 8.950 8.947 19.621 1.00 0.00 ATOM 961 CG2 ILE A 127 7.051 10.675 19.744 1.00 0.00 ATOM 962 CD1 ILE A 127 8.772 8.414 18.229 1.00 0.00 ATOM 963 O ILE A 127 6.763 11.455 22.701 1.00 0.00 ATOM 964 C ILE A 127 6.748 10.213 22.589 1.00 0.00 ATOM 965 N ASN A 128 5.782 9.465 23.092 1.00 0.00 ATOM 966 CA ASN A 128 4.622 10.043 23.774 1.00 0.00 ATOM 967 CB ASN A 128 3.412 9.104 23.797 1.00 0.00 ATOM 968 CG ASN A 128 2.771 8.909 22.440 1.00 0.00 ATOM 969 ND2 ASN A 128 2.278 7.721 22.205 1.00 0.00 ATOM 970 OD1 ASN A 128 2.727 9.798 21.625 1.00 0.00 ATOM 971 O ASN A 128 4.541 11.459 25.628 1.00 0.00 ATOM 972 C ASN A 128 4.928 10.429 25.177 1.00 0.00 ATOM 973 N ASN A 129 5.664 9.589 25.875 1.00 0.00 ATOM 974 CA ASN A 129 6.028 9.926 27.230 1.00 0.00 ATOM 975 CB ASN A 129 6.828 8.814 27.882 1.00 0.00 ATOM 976 CG ASN A 129 6.083 7.507 27.940 1.00 0.00 ATOM 977 ND2 ASN A 129 6.753 6.468 27.573 1.00 0.00 ATOM 978 OD1 ASN A 129 4.927 7.435 28.307 1.00 0.00 ATOM 979 O ASN A 129 6.591 11.982 28.153 1.00 0.00 ATOM 980 C ASN A 129 6.778 11.216 27.286 1.00 0.00 ATOM 981 N MET A 130 7.663 11.436 26.344 1.00 0.00 ATOM 982 CA MET A 130 8.462 12.655 26.305 1.00 0.00 ATOM 983 CB MET A 130 9.678 12.490 25.398 1.00 0.00 ATOM 984 CG MET A 130 10.770 11.563 25.950 1.00 0.00 ATOM 985 SD MET A 130 11.503 11.995 27.481 1.00 0.00 ATOM 986 CE MET A 130 12.341 13.393 26.995 1.00 0.00 ATOM 987 O MET A 130 7.965 14.972 26.353 1.00 0.00 ATOM 988 C MET A 130 7.665 13.900 25.928 1.00 0.00 ATOM 989 N LYS A 131 6.625 13.736 25.138 1.00 0.00 ATOM 990 CA LYS A 131 5.780 14.861 24.788 1.00 0.00 ATOM 991 CB LYS A 131 4.980 14.559 23.540 1.00 0.00 ATOM 992 CG LYS A 131 3.495 14.766 23.708 1.00 0.00 ATOM 993 CD LYS A 131 2.860 15.467 22.496 1.00 0.00 ATOM 994 CE LYS A 131 2.607 14.520 21.371 1.00 0.00 ATOM 995 NZ LYS A 131 3.632 14.504 20.312 1.00 0.00 ATOM 996 O LYS A 131 4.123 16.247 25.681 1.00 0.00 ATOM 997 C LYS A 131 4.862 15.335 25.888 1.00 0.00 ATOM 998 N ASN 132 4.902 14.722 27.055 1.00 0.00 ATOM 999 CA ASN 132 3.700 14.535 27.831 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1486874697.pdb -s /var/tmp/to_scwrl_1486874697.seq -o /var/tmp/from_scwrl_1486874697.pdb > /var/tmp/scwrl_1486874697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1486874697.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 121 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -23.664 # GDT_score(maxd=8.000,maxw=2.900)= -21.066 # GDT_score(maxd=8.000,maxw=3.200)= -20.348 # GDT_score(maxd=8.000,maxw=3.500)= -19.707 # GDT_score(maxd=10.000,maxw=3.800)= -22.328 # GDT_score(maxd=10.000,maxw=4.000)= -21.822 # GDT_score(maxd=10.000,maxw=4.200)= -21.347 # GDT_score(maxd=12.000,maxw=4.300)= -24.275 # GDT_score(maxd=12.000,maxw=4.500)= -23.716 # GDT_score(maxd=12.000,maxw=4.700)= -23.194 # GDT_score(maxd=14.000,maxw=5.200)= -24.677 # GDT_score(maxd=14.000,maxw=5.500)= -23.874 # command:# request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_623541895.pdb -s /var/tmp/to_scwrl_623541895.seq -o /var/tmp/from_scwrl_623541895.pdb > /var/tmp/scwrl_623541895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_623541895.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 100 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -24.237 # GDT_score(maxd=8.000,maxw=2.900)= -23.984 # GDT_score(maxd=8.000,maxw=3.200)= -23.007 # GDT_score(maxd=8.000,maxw=3.500)= -22.094 # GDT_score(maxd=10.000,maxw=3.800)= -23.729 # GDT_score(maxd=10.000,maxw=4.000)= -23.124 # GDT_score(maxd=10.000,maxw=4.200)= -22.551 # GDT_score(maxd=12.000,maxw=4.300)= -24.721 # GDT_score(maxd=12.000,maxw=4.500)= -24.103 # GDT_score(maxd=12.000,maxw=4.700)= -23.499 # GDT_score(maxd=14.000,maxw=5.200)= -24.412 # GDT_score(maxd=14.000,maxw=5.500)= -23.545 # command:# request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1292569069.pdb -s /var/tmp/to_scwrl_1292569069.seq -o /var/tmp/from_scwrl_1292569069.pdb > /var/tmp/scwrl_1292569069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292569069.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 120 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -29.962 # GDT_score(maxd=8.000,maxw=2.900)= -27.984 # GDT_score(maxd=8.000,maxw=3.200)= -26.886 # GDT_score(maxd=8.000,maxw=3.500)= -25.863 # GDT_score(maxd=10.000,maxw=3.800)= -28.698 # GDT_score(maxd=10.000,maxw=4.000)= -27.948 # GDT_score(maxd=10.000,maxw=4.200)= -27.235 # GDT_score(maxd=12.000,maxw=4.300)= -30.197 # GDT_score(maxd=12.000,maxw=4.500)= -29.432 # GDT_score(maxd=12.000,maxw=4.700)= -28.700 # GDT_score(maxd=14.000,maxw=5.200)= -29.709 # GDT_score(maxd=14.000,maxw=5.500)= -28.639 # command:# request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_148771990.pdb -s /var/tmp/to_scwrl_148771990.seq -o /var/tmp/from_scwrl_148771990.pdb > /var/tmp/scwrl_148771990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_148771990.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 104 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -24.809 # GDT_score(maxd=8.000,maxw=2.900)= -22.885 # GDT_score(maxd=8.000,maxw=3.200)= -21.775 # GDT_score(maxd=8.000,maxw=3.500)= -20.778 # GDT_score(maxd=10.000,maxw=3.800)= -23.807 # GDT_score(maxd=10.000,maxw=4.000)= -23.113 # GDT_score(maxd=10.000,maxw=4.200)= -22.485 # GDT_score(maxd=12.000,maxw=4.300)= -25.376 # GDT_score(maxd=12.000,maxw=4.500)= -24.689 # GDT_score(maxd=12.000,maxw=4.700)= -24.034 # GDT_score(maxd=14.000,maxw=5.200)= -25.169 # GDT_score(maxd=14.000,maxw=5.500)= -24.221 # command:# request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_617166835.pdb -s /var/tmp/to_scwrl_617166835.seq -o /var/tmp/from_scwrl_617166835.pdb > /var/tmp/scwrl_617166835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_617166835.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 T0307.try1-opt2.pdb looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -30.153 # GDT_score(maxd=8.000,maxw=2.900)= -27.963 # GDT_score(maxd=8.000,maxw=3.200)= -26.867 # GDT_score(maxd=8.000,maxw=3.500)= -25.845 # GDT_score(maxd=10.000,maxw=3.800)= -28.681 # GDT_score(maxd=10.000,maxw=4.000)= -27.932 # GDT_score(maxd=10.000,maxw=4.200)= -27.220 # GDT_score(maxd=12.000,maxw=4.300)= -30.182 # GDT_score(maxd=12.000,maxw=4.500)= -29.417 # GDT_score(maxd=12.000,maxw=4.700)= -28.687 # GDT_score(maxd=14.000,maxw=5.200)= -29.696 # GDT_score(maxd=14.000,maxw=5.500)= -28.627 # command:# Prefix for output files set to # command:EXPDTA T0307.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0307.try1-opt2.pdb ATOM 1 N MET A 1 32.804 11.989 37.392 1.00 0.00 ATOM 2 CA MET A 1 33.627 11.525 36.230 1.00 0.00 ATOM 3 CB MET A 1 34.056 12.703 35.358 1.00 0.00 ATOM 4 CG MET A 1 34.205 12.372 33.870 1.00 0.00 ATOM 5 SD MET A 1 35.901 12.538 33.272 1.00 0.00 ATOM 6 CE MET A 1 36.038 14.301 33.133 1.00 0.00 ATOM 7 O MET A 1 35.340 11.042 37.884 1.00 0.00 ATOM 8 C MET A 1 34.847 10.783 36.767 1.00 0.00 ATOM 9 N GLY A 2 35.227 9.728 36.072 1.00 0.00 ATOM 10 CA GLY A 2 36.244 8.849 36.585 1.00 0.00 ATOM 11 O GLY A 2 34.448 7.457 37.312 1.00 0.00 ATOM 12 C GLY A 2 35.657 7.666 37.274 1.00 0.00 ATOM 13 N LEU A 3 36.596 6.772 37.806 1.00 0.00 ATOM 14 CA LEU A 3 36.227 5.518 38.378 1.00 0.00 ATOM 15 CB LEU A 3 37.464 4.645 38.603 1.00 0.00 ATOM 16 CG LEU A 3 38.163 4.122 37.347 1.00 0.00 ATOM 17 CD1 LEU A 3 39.467 3.429 37.707 1.00 0.00 ATOM 18 CD2 LEU A 3 37.278 3.125 36.616 1.00 0.00 ATOM 19 O LEU A 3 34.527 5.000 40.017 1.00 0.00 ATOM 20 C LEU A 3 35.505 5.698 39.679 1.00 0.00 ATOM 21 N GLY A 4 35.986 6.608 40.533 1.00 0.00 ATOM 22 CA GLY A 4 35.392 6.863 41.833 1.00 0.00 ATOM 23 O GLY A 4 33.065 6.819 42.405 1.00 0.00 ATOM 24 C GLY A 4 33.944 7.285 41.673 1.00 0.00 ATOM 25 N ARG A 5 33.684 8.168 40.710 1.00 0.00 ATOM 26 CA ARG A 5 32.325 8.633 40.473 1.00 0.00 ATOM 27 CB ARG A 5 32.317 9.764 39.444 1.00 0.00 ATOM 28 CG ARG A 5 30.954 10.401 39.229 1.00 0.00 ATOM 29 CD ARG A 5 30.454 11.071 40.499 1.00 0.00 ATOM 30 NE ARG A 5 31.360 12.120 40.959 1.00 0.00 ATOM 31 CZ ARG A 5 31.380 13.356 40.470 1.00 0.00 ATOM 32 NH1 ARG A 5 32.242 14.245 40.951 1.00 0.00 ATOM 33 NH2 ARG A 5 30.541 13.702 39.504 1.00 0.00 ATOM 34 O ARG A 5 30.323 7.337 40.363 1.00 0.00 ATOM 35 C ARG A 5 31.472 7.503 39.954 1.00 0.00 ATOM 36 N GLN A 6 32.014 6.713 39.073 1.00 0.00 ATOM 37 CA GLN A 6 31.317 5.553 38.479 1.00 0.00 ATOM 38 CB GLN A 6 32.201 4.878 37.427 1.00 0.00 ATOM 39 CG GLN A 6 32.386 5.692 36.157 1.00 0.00 ATOM 40 CD GLN A 6 33.354 5.046 35.187 1.00 0.00 ATOM 41 OE1 GLN A 6 33.966 4.024 35.494 1.00 0.00 ATOM 42 NE2 GLN A 6 33.496 5.644 34.009 1.00 0.00 ATOM 43 O GLN A 6 29.919 3.918 39.722 1.00 0.00 ATOM 44 C GLN A 6 30.995 4.556 39.618 1.00 0.00 ATOM 45 N SER A 7 31.964 4.380 40.520 1.00 0.00 ATOM 46 CA SER A 7 31.855 3.477 41.687 1.00 0.00 ATOM 47 CB SER A 7 33.158 3.479 42.489 1.00 0.00 ATOM 48 OG SER A 7 34.218 2.909 41.740 1.00 0.00 ATOM 49 O SER A 7 29.920 3.102 43.058 1.00 0.00 ATOM 50 C SER A 7 30.724 3.922 42.605 1.00 0.00 ATOM 51 N LEU A 8 30.598 5.279 42.931 1.00 0.00 ATOM 52 CA LEU A 8 29.557 5.831 43.792 1.00 0.00 ATOM 53 CB LEU A 8 29.793 7.325 44.027 1.00 0.00 ATOM 54 CG LEU A 8 31.002 7.693 44.890 1.00 0.00 ATOM 55 CD1 LEU A 8 31.222 9.197 44.890 1.00 0.00 ATOM 56 CD2 LEU A 8 30.793 7.242 46.327 1.00 0.00 ATOM 57 O LEU A 8 27.227 5.255 43.795 1.00 0.00 ATOM 58 C LEU A 8 28.197 5.629 43.134 1.00 0.00 ATOM 59 N ASN A 9 28.145 5.882 41.842 1.00 0.00 ATOM 60 CA ASN A 9 26.906 5.721 41.096 1.00 0.00 ATOM 61 CB ASN A 9 27.096 6.167 39.645 1.00 0.00 ATOM 62 CG ASN A 9 27.212 7.672 39.509 1.00 0.00 ATOM 63 ND2 ASN A 9 27.795 8.121 38.402 1.00 0.00 ATOM 64 OD1 ASN A 9 26.785 8.420 40.387 1.00 0.00 ATOM 65 O ASN A 9 25.295 3.989 41.186 1.00 0.00 ATOM 66 C ASN A 9 26.471 4.225 41.118 1.00 0.00 ATOM 67 N ILE A 10 27.425 3.291 41.026 1.00 0.00 ATOM 68 CA ILE A 10 27.050 1.852 41.021 1.00 0.00 ATOM 69 CB ILE A 10 28.308 0.968 40.813 1.00 0.00 ATOM 70 CG1 ILE A 10 28.866 1.186 39.407 1.00 0.00 ATOM 71 CG2 ILE A 10 27.956 -0.505 41.008 1.00 0.00 ATOM 72 CD1 ILE A 10 30.222 0.530 39.174 1.00 0.00 ATOM 73 O ILE A 10 25.311 0.822 42.348 1.00 0.00 ATOM 74 C ILE A 10 26.345 1.507 42.345 1.00 0.00 ATOM 75 N MET A 11 26.938 2.032 43.490 1.00 0.00 ATOM 76 CA MET A 11 26.323 1.760 44.788 1.00 0.00 ATOM 77 CB MET A 11 27.131 2.413 45.911 1.00 0.00 ATOM 78 CG MET A 11 28.489 1.775 46.151 1.00 0.00 ATOM 79 SD MET A 11 28.368 0.042 46.639 1.00 0.00 ATOM 80 CE MET A 11 27.645 0.201 48.270 1.00 0.00 ATOM 81 O MET A 11 23.961 1.623 45.294 1.00 0.00 ATOM 82 C MET A 11 24.892 2.308 44.840 1.00 0.00 ATOM 83 N THR A 12 24.738 3.537 44.355 1.00 0.00 ATOM 84 CA THR A 12 23.438 4.187 44.364 1.00 0.00 ATOM 85 CB THR A 12 23.545 5.669 43.961 1.00 0.00 ATOM 86 CG2 THR A 12 22.169 6.317 43.943 1.00 0.00 ATOM 87 OG1 THR A 12 24.374 6.365 44.900 1.00 0.00 ATOM 88 O THR A 12 21.324 3.349 43.646 1.00 0.00 ATOM 89 C THR A 12 22.505 3.492 43.385 1.00 0.00 ATOM 90 N PHE A 13 23.029 3.047 42.256 1.00 0.00 ATOM 91 CA PHE A 13 22.217 2.350 41.258 1.00 0.00 ATOM 92 CB PHE A 13 22.552 2.849 39.850 1.00 0.00 ATOM 93 CG PHE A 13 22.148 4.274 39.601 1.00 0.00 ATOM 94 CD1 PHE A 13 23.056 5.305 39.765 1.00 0.00 ATOM 95 CD2 PHE A 13 20.858 4.584 39.201 1.00 0.00 ATOM 96 CE1 PHE A 13 22.684 6.616 39.535 1.00 0.00 ATOM 97 CE2 PHE A 13 20.488 5.895 38.971 1.00 0.00 ATOM 98 CZ PHE A 13 21.393 6.909 39.137 1.00 0.00 ATOM 99 O PHE A 13 23.572 0.380 41.213 1.00 0.00 ATOM 100 C PHE A 13 22.457 0.828 41.182 1.00 0.00 ATOM 101 N SER A 14 21.390 0.089 41.064 1.00 0.00 ATOM 102 CA SER A 14 21.447 -1.344 40.872 1.00 0.00 ATOM 103 CB SER A 14 20.103 -2.013 41.169 1.00 0.00 ATOM 104 OG SER A 14 19.154 -1.721 40.157 1.00 0.00 ATOM 105 O SER A 14 21.868 -0.724 38.595 1.00 0.00 ATOM 106 C SER A 14 21.875 -1.626 39.437 1.00 0.00 ATOM 107 N GLY A 15 22.221 -2.875 39.145 1.00 0.00 ATOM 108 CA GLY A 15 22.647 -3.214 37.798 1.00 0.00 ATOM 109 O GLY A 15 21.902 -2.502 35.625 1.00 0.00 ATOM 110 C GLY A 15 21.579 -2.947 36.731 1.00 0.00 ATOM 111 N GLN A 16 20.317 -3.233 37.042 1.00 0.00 ATOM 112 CA GLN A 16 19.271 -2.985 36.055 1.00 0.00 ATOM 113 CB GLN A 16 17.924 -3.503 36.561 1.00 0.00 ATOM 114 CG GLN A 16 17.815 -5.020 36.599 1.00 0.00 ATOM 115 CD GLN A 16 16.497 -5.494 37.176 1.00 0.00 ATOM 116 OE1 GLN A 16 15.664 -4.690 37.593 1.00 0.00 ATOM 117 NE2 GLN A 16 16.304 -6.808 37.203 1.00 0.00 ATOM 118 O GLN A 16 18.972 -1.108 34.588 1.00 0.00 ATOM 119 C GLN A 16 19.156 -1.493 35.742 1.00 0.00 ATOM 120 N GLU A 17 19.260 -0.648 36.777 1.00 0.00 ATOM 121 CA GLU A 17 19.200 0.798 36.599 1.00 0.00 ATOM 122 CB GLU A 17 19.271 1.505 37.953 1.00 0.00 ATOM 123 CG GLU A 17 18.047 1.295 38.829 1.00 0.00 ATOM 124 CD GLU A 17 18.202 1.905 40.206 1.00 0.00 ATOM 125 OE1 GLU A 17 19.296 2.431 40.503 1.00 0.00 ATOM 126 OE2 GLU A 17 17.232 1.858 40.992 1.00 0.00 ATOM 127 O GLU A 17 20.238 2.083 34.857 1.00 0.00 ATOM 128 C GLU A 17 20.392 1.256 35.755 1.00 0.00 ATOM 129 N LEU A 18 21.552 0.707 36.043 1.00 0.00 ATOM 130 CA LEU A 18 22.756 1.050 35.278 1.00 0.00 ATOM 131 CB LEU A 18 24.018 0.422 35.875 1.00 0.00 ATOM 132 CG LEU A 18 24.459 0.954 37.240 1.00 0.00 ATOM 133 CD1 LEU A 18 25.625 0.141 37.782 1.00 0.00 ATOM 134 CD2 LEU A 18 24.898 2.406 37.135 1.00 0.00 ATOM 135 O LEU A 18 23.114 1.277 32.913 1.00 0.00 ATOM 136 C LEU A 18 22.618 0.611 33.824 1.00 0.00 ATOM 137 N THR A 19 21.934 -0.517 33.595 1.00 0.00 ATOM 138 CA THR A 19 21.734 -1.008 32.235 1.00 0.00 ATOM 139 CB THR A 19 21.189 -2.422 32.264 1.00 0.00 ATOM 140 CG2 THR A 19 20.947 -3.016 30.842 1.00 0.00 ATOM 141 OG1 THR A 19 22.178 -3.253 32.872 1.00 0.00 ATOM 142 O THR A 19 21.082 0.299 30.320 1.00 0.00 ATOM 143 C THR A 19 20.836 -0.023 31.484 1.00 0.00 ATOM 144 N ALA A 20 19.812 0.447 32.158 1.00 0.00 ATOM 145 CA ALA A 20 18.897 1.406 31.549 1.00 0.00 ATOM 146 CB ALA A 20 17.783 1.777 32.516 1.00 0.00 ATOM 147 O ALA A 20 19.576 3.108 30.001 1.00 0.00 ATOM 148 C ALA A 20 19.671 2.650 31.141 1.00 0.00 ATOM 149 N ILE A 21 20.440 3.188 32.084 1.00 0.00 ATOM 150 CA ILE A 21 21.246 4.376 31.842 1.00 0.00 ATOM 151 CB ILE A 21 22.024 4.796 33.102 1.00 0.00 ATOM 152 CG1 ILE A 21 21.059 5.277 34.188 1.00 0.00 ATOM 153 CG2 ILE A 21 22.988 5.926 32.780 1.00 0.00 ATOM 154 CD1 ILE A 21 21.706 5.457 35.543 1.00 0.00 ATOM 155 O ILE A 21 22.491 5.012 29.888 1.00 0.00 ATOM 156 C ILE A 21 22.267 4.145 30.724 1.00 0.00 ATOM 157 N ILE A 22 22.880 2.969 30.733 1.00 0.00 ATOM 158 CA ILE A 22 23.900 2.617 29.748 1.00 0.00 ATOM 159 CB ILE A 22 24.538 1.274 30.027 1.00 0.00 ATOM 160 CG1 ILE A 22 25.263 1.332 31.372 1.00 0.00 ATOM 161 CG2 ILE A 22 25.486 0.822 28.883 1.00 0.00 ATOM 162 CD1 ILE A 22 26.259 2.443 31.614 1.00 0.00 ATOM 163 O ILE A 22 23.867 3.141 27.409 1.00 0.00 ATOM 164 C ILE A 22 23.330 2.542 28.345 1.00 0.00 ATOM 165 N LYS A 23 22.238 1.804 28.197 1.00 0.00 ATOM 166 CA LYS A 23 21.590 1.682 26.904 1.00 0.00 ATOM 167 CB LYS A 23 20.316 0.842 27.020 1.00 0.00 ATOM 168 CG LYS A 23 20.568 -0.634 27.282 1.00 0.00 ATOM 169 CD LYS A 23 19.264 -1.407 27.383 1.00 0.00 ATOM 170 CE LYS A 23 19.515 -2.880 27.670 1.00 0.00 ATOM 171 NZ LYS A 23 18.245 -3.643 27.804 1.00 0.00 ATOM 172 O LYS A 23 21.365 3.334 25.175 1.00 0.00 ATOM 173 C LYS A 23 21.217 3.057 26.366 1.00 0.00 ATOM 174 N MET A 24 20.723 3.955 27.241 1.00 0.00 ATOM 175 CA MET A 24 20.337 5.299 26.838 1.00 0.00 ATOM 176 CB MET A 24 19.656 6.058 27.979 1.00 0.00 ATOM 177 CG MET A 24 18.274 5.536 28.334 1.00 0.00 ATOM 178 SD MET A 24 17.115 5.645 26.958 1.00 0.00 ATOM 179 CE MET A 24 16.919 7.420 26.820 1.00 0.00 ATOM 180 O MET A 24 21.445 6.969 25.525 1.00 0.00 ATOM 181 C MET A 24 21.539 6.147 26.437 1.00 0.00 ATOM 182 N ALA A 25 22.644 5.943 27.119 1.00 0.00 ATOM 183 CA ALA A 25 23.839 6.705 26.782 1.00 0.00 ATOM 184 CB ALA A 25 24.975 6.274 27.697 1.00 0.00 ATOM 185 O ALA A 25 24.581 7.303 24.597 1.00 0.00 ATOM 186 C ALA A 25 24.231 6.381 25.334 1.00 0.00 ATOM 187 N LYS A 26 24.183 5.118 24.976 1.00 0.00 ATOM 188 CA LYS A 26 24.539 4.738 23.602 1.00 0.00 ATOM 189 CB LYS A 26 24.660 3.206 23.575 1.00 0.00 ATOM 190 CG LYS A 26 25.847 2.721 24.400 1.00 0.00 ATOM 191 CD LYS A 26 25.943 1.213 24.440 1.00 0.00 ATOM 192 CE LYS A 26 26.622 0.621 23.219 1.00 0.00 ATOM 193 NZ LYS A 26 27.198 -0.735 23.467 1.00 0.00 ATOM 194 O LYS A 26 23.908 5.701 21.477 1.00 0.00 ATOM 195 C LYS A 26 23.531 5.237 22.567 1.00 0.00 ATOM 196 N SER A 27 22.252 5.107 22.889 1.00 0.00 ATOM 197 CA SER A 27 21.196 5.603 22.005 1.00 0.00 ATOM 198 CB SER A 27 19.823 5.378 22.553 1.00 0.00 ATOM 199 OG SER A 27 19.609 6.070 23.745 1.00 0.00 ATOM 200 O SER A 27 21.259 7.613 20.675 1.00 0.00 ATOM 201 C SER A 27 21.382 7.103 21.788 1.00 0.00 ATOM 202 N MET A 28 21.690 7.921 22.890 1.00 0.00 ATOM 203 CA MET A 28 21.873 9.362 22.760 1.00 0.00 ATOM 204 CB MET A 28 21.964 10.017 24.140 1.00 0.00 ATOM 205 CG MET A 28 20.657 10.011 24.916 1.00 0.00 ATOM 206 SD MET A 28 20.740 10.999 26.423 1.00 0.00 ATOM 207 CE MET A 28 21.710 9.925 27.478 1.00 0.00 ATOM 208 O MET A 28 23.201 10.881 21.467 1.00 0.00 ATOM 209 C MET A 28 23.115 9.767 22.015 1.00 0.00 ATOM 210 N VAL A 29 24.115 8.892 22.081 1.00 0.00 ATOM 211 CA VAL A 29 25.393 9.151 21.434 1.00 0.00 ATOM 212 CB VAL A 29 26.508 8.256 22.007 1.00 0.00 ATOM 213 CG1 VAL A 29 27.848 8.607 21.382 1.00 0.00 ATOM 214 CG2 VAL A 29 26.617 8.442 23.513 1.00 0.00 ATOM 215 O VAL A 29 25.556 7.771 19.493 1.00 0.00 ATOM 216 C VAL A 29 25.257 8.869 19.966 1.00 0.00 ATOM 217 N MET A 30 24.757 9.888 19.279 1.00 0.00 ATOM 218 CA MET A 30 24.506 9.886 17.849 1.00 0.00 ATOM 219 CB MET A 30 24.031 11.265 17.388 1.00 0.00 ATOM 220 CG MET A 30 23.701 11.345 15.908 1.00 0.00 ATOM 221 SD MET A 30 23.242 13.010 15.385 1.00 0.00 ATOM 222 CE MET A 30 24.800 13.869 15.587 1.00 0.00 ATOM 223 O MET A 30 25.728 8.568 16.231 1.00 0.00 ATOM 224 C MET A 30 25.738 9.545 16.987 1.00 0.00 ATOM 225 N ALA A 31 26.804 10.329 17.130 1.00 0.00 ATOM 226 CA ALA A 31 28.019 10.103 16.353 1.00 0.00 ATOM 227 CB ALA A 31 28.894 11.349 16.366 1.00 0.00 ATOM 228 O ALA A 31 29.976 8.698 16.363 1.00 0.00 ATOM 229 C ALA A 31 28.880 8.964 16.869 1.00 0.00 ATOM 230 N ASP A 32 28.345 8.271 17.888 1.00 0.00 ATOM 231 CA ASP A 32 28.953 7.116 18.520 1.00 0.00 ATOM 232 CB ASP A 32 28.980 5.930 17.554 1.00 0.00 ATOM 233 CG ASP A 32 27.592 5.463 17.167 1.00 0.00 ATOM 234 OD1 ASP A 32 26.755 5.266 18.073 1.00 0.00 ATOM 235 OD2 ASP A 32 27.339 5.293 15.954 1.00 0.00 ATOM 236 O ASP A 32 31.284 6.653 18.930 1.00 0.00 ATOM 237 C ASP A 32 30.387 7.499 18.929 1.00 0.00 ATOM 238 N GLY A 33 30.563 8.774 19.325 1.00 0.00 ATOM 239 CA GLY A 33 31.857 9.337 19.773 1.00 0.00 ATOM 240 O GLY A 33 33.192 9.652 21.670 1.00 0.00 ATOM 241 C GLY A 33 32.157 9.152 21.224 1.00 0.00 ATOM 242 N LYS A 34 31.154 8.267 21.741 1.00 0.00 ATOM 243 CA LYS A 34 31.275 7.856 23.129 1.00 0.00 ATOM 244 CB LYS A 34 32.647 7.228 23.384 1.00 0.00 ATOM 245 CG LYS A 34 32.894 5.942 22.612 1.00 0.00 ATOM 246 CD LYS A 34 34.305 5.422 22.843 1.00 0.00 ATOM 247 CE LYS A 34 34.559 4.147 22.055 1.00 0.00 ATOM 248 NZ LYS A 34 35.943 3.637 22.256 1.00 0.00 ATOM 249 O LYS A 34 31.192 8.724 25.346 1.00 0.00 ATOM 250 C LYS A 34 31.080 8.975 24.139 1.00 0.00 ATOM 251 N ILE A 35 30.812 10.185 23.625 1.00 0.00 ATOM 252 CA ILE A 35 30.586 11.416 24.376 1.00 0.00 ATOM 253 CB ILE A 35 31.816 12.338 24.286 1.00 0.00 ATOM 254 CG1 ILE A 35 33.049 11.642 24.866 1.00 0.00 ATOM 255 CG2 ILE A 35 31.577 13.623 25.064 1.00 0.00 ATOM 256 CD1 ILE A 35 34.335 12.410 24.665 1.00 0.00 ATOM 257 O ILE A 35 29.386 12.327 22.536 1.00 0.00 ATOM 258 C ILE A 35 29.373 12.082 23.744 1.00 0.00 ATOM 259 N LYS A 36 28.395 12.420 24.527 1.00 0.00 ATOM 260 CA LYS A 36 27.219 13.158 24.048 1.00 0.00 ATOM 261 CB LYS A 36 26.031 12.940 24.986 1.00 0.00 ATOM 262 CG LYS A 36 24.749 13.618 24.532 1.00 0.00 ATOM 263 CD LYS A 36 23.597 13.312 25.475 1.00 0.00 ATOM 264 CE LYS A 36 22.315 13.988 25.020 1.00 0.00 ATOM 265 NZ LYS A 36 21.178 13.698 25.936 1.00 0.00 ATOM 266 O LYS A 36 27.758 15.322 24.921 1.00 0.00 ATOM 267 C LYS A 36 27.406 14.658 23.947 1.00 0.00 ATOM 268 N PRO A 37 27.116 15.163 22.837 1.00 0.00 ATOM 269 CA PRO A 37 27.222 16.597 22.617 1.00 0.00 ATOM 270 CB PRO A 37 27.277 16.711 21.099 1.00 0.00 ATOM 271 CG PRO A 37 27.992 15.456 20.699 1.00 0.00 ATOM 272 CD PRO A 37 27.331 14.415 21.572 1.00 0.00 ATOM 273 O PRO A 37 24.888 16.833 23.142 1.00 0.00 ATOM 274 C PRO A 37 25.959 17.398 22.919 1.00 0.00 ATOM 275 N ALA A 38 26.165 18.716 22.852 1.00 0.00 ATOM 276 CA ALA A 38 25.039 19.601 23.112 1.00 0.00 ATOM 277 CB ALA A 38 25.497 21.052 23.123 1.00 0.00 ATOM 278 O ALA A 38 22.816 19.299 22.230 1.00 0.00 ATOM 279 C ALA A 38 24.018 19.389 21.983 1.00 0.00 ATOM 280 N GLU A 39 24.506 19.281 20.747 1.00 0.00 ATOM 281 CA GLU A 39 23.633 19.055 19.594 1.00 0.00 ATOM 282 CB GLU A 39 24.444 19.070 18.297 1.00 0.00 ATOM 283 CG GLU A 39 24.956 20.446 17.900 1.00 0.00 ATOM 284 CD GLU A 39 25.856 20.405 16.682 1.00 0.00 ATOM 285 OE1 GLU A 39 26.140 19.292 16.191 1.00 0.00 ATOM 286 OE2 GLU A 39 26.277 21.485 16.217 1.00 0.00 ATOM 287 O GLU A 39 21.737 17.526 19.366 1.00 0.00 ATOM 288 C GLU A 39 22.922 17.716 19.668 1.00 0.00 ATOM 289 N ILE A 40 23.631 16.668 20.168 1.00 0.00 ATOM 290 CA ILE A 40 23.060 15.308 20.405 1.00 0.00 ATOM 291 CB ILE A 40 24.140 14.359 20.951 1.00 0.00 ATOM 292 CG1 ILE A 40 25.090 13.977 19.808 1.00 0.00 ATOM 293 CG2 ILE A 40 23.494 13.125 21.594 1.00 0.00 ATOM 294 CD1 ILE A 40 26.299 13.183 20.239 1.00 0.00 ATOM 295 O ILE A 40 20.828 14.926 21.228 1.00 0.00 ATOM 296 C ILE A 40 21.924 15.470 21.411 1.00 0.00 ATOM 297 N ALA A 41 22.172 16.260 22.438 1.00 0.00 ATOM 298 CA ALA A 41 21.165 16.538 23.459 1.00 0.00 ATOM 299 CB ALA A 41 21.755 17.400 24.564 1.00 0.00 ATOM 300 O ALA A 41 18.786 16.908 23.129 1.00 0.00 ATOM 301 C ALA A 41 19.941 17.286 22.894 1.00 0.00 ATOM 302 N VAL A 42 20.216 18.348 22.142 1.00 0.00 ATOM 303 CA VAL A 42 19.192 19.181 21.536 1.00 0.00 ATOM 304 CB VAL A 42 19.797 20.452 20.909 1.00 0.00 ATOM 305 CG1 VAL A 42 18.708 21.297 20.264 1.00 0.00 ATOM 306 CG2 VAL A 42 20.489 21.291 21.972 1.00 0.00 ATOM 307 O VAL A 42 17.316 18.556 20.133 1.00 0.00 ATOM 308 C VAL A 42 18.469 18.300 20.502 1.00 0.00 ATOM 309 N MET A 43 19.245 17.218 20.000 1.00 0.00 ATOM 310 CA MET A 43 18.648 16.304 19.031 1.00 0.00 ATOM 311 CB MET A 43 19.510 15.069 18.752 1.00 0.00 ATOM 312 CG MET A 43 18.988 14.190 17.628 1.00 0.00 ATOM 313 SD MET A 43 19.000 15.024 16.028 1.00 0.00 ATOM 314 CE MET A 43 20.757 15.082 15.690 1.00 0.00 ATOM 315 O MET A 43 16.451 15.407 18.787 1.00 0.00 ATOM 316 C MET A 43 17.300 15.844 19.561 1.00 0.00 ATOM 317 N THR A 44 17.147 15.873 20.886 1.00 0.00 ATOM 318 CA THR A 44 15.907 15.497 21.553 1.00 0.00 ATOM 319 CB THR A 44 16.152 15.136 23.030 1.00 0.00 ATOM 320 CG2 THR A 44 14.847 14.751 23.707 1.00 0.00 ATOM 321 OG1 THR A 44 17.061 14.031 23.110 1.00 0.00 ATOM 322 O THR A 44 15.520 17.848 21.681 1.00 0.00 ATOM 323 C THR A 44 15.058 16.739 21.415 1.00 0.00 ATOM 324 N ARG A 45 13.744 16.632 20.936 1.00 0.00 ATOM 325 CA ARG A 45 12.843 17.769 20.884 1.00 0.00 ATOM 326 CB ARG A 45 11.587 17.422 20.082 1.00 0.00 ATOM 327 CG ARG A 45 10.643 18.594 19.871 1.00 0.00 ATOM 328 CD ARG A 45 9.514 18.229 18.920 1.00 0.00 ATOM 329 NE ARG A 45 8.591 19.343 18.713 1.00 0.00 ATOM 330 CZ ARG A 45 7.461 19.257 18.019 1.00 0.00 ATOM 331 NH1 ARG A 45 6.684 20.323 17.885 1.00 0.00 ATOM 332 NH2 ARG A 45 7.110 18.106 17.464 1.00 0.00 ATOM 333 O ARG A 45 12.143 19.448 22.481 1.00 0.00 ATOM 334 C ARG A 45 12.375 18.246 22.258 1.00 0.00 ATOM 335 N GLU A 46 12.275 17.293 23.189 1.00 0.00 ATOM 336 CA GLU A 46 11.846 17.638 24.531 1.00 0.00 ATOM 337 CB GLU A 46 11.842 16.397 25.427 1.00 0.00 ATOM 338 CG GLU A 46 11.308 16.645 26.828 1.00 0.00 ATOM 339 CD GLU A 46 11.225 15.375 27.653 1.00 0.00 ATOM 340 OE1 GLU A 46 11.567 14.298 27.122 1.00 0.00 ATOM 341 OE2 GLU A 46 10.820 15.459 28.831 1.00 0.00 ATOM 342 O GLU A 46 12.362 19.694 25.740 1.00 0.00 ATOM 343 C GLU A 46 12.806 18.711 25.133 1.00 0.00 ATOM 344 N PHE A 47 14.097 18.588 24.811 1.00 0.00 ATOM 345 CA PHE A 47 15.139 19.507 25.281 1.00 0.00 ATOM 346 CB PHE A 47 16.523 18.889 25.076 1.00 0.00 ATOM 347 CG PHE A 47 16.756 17.642 25.880 1.00 0.00 ATOM 348 CD1 PHE A 47 16.023 17.394 27.026 1.00 0.00 ATOM 349 CD2 PHE A 47 17.710 16.717 25.490 1.00 0.00 ATOM 350 CE1 PHE A 47 16.237 16.247 27.766 1.00 0.00 ATOM 351 CE2 PHE A 47 17.925 15.570 26.230 1.00 0.00 ATOM 352 CZ PHE A 47 17.193 15.333 27.364 1.00 0.00 ATOM 353 O PHE A 47 15.585 21.883 25.211 1.00 0.00 ATOM 354 C PHE A 47 15.192 20.878 24.600 1.00 0.00 ATOM 355 N MET A 48 14.814 20.862 23.381 1.00 0.00 ATOM 356 CA MET A 48 14.839 22.121 22.631 1.00 0.00 ATOM 357 CB MET A 48 14.342 21.902 21.201 1.00 0.00 ATOM 358 CG MET A 48 15.301 21.113 20.324 1.00 0.00 ATOM 359 SD MET A 48 14.658 20.841 18.661 1.00 0.00 ATOM 360 CE MET A 48 14.775 22.493 17.978 1.00 0.00 ATOM 361 O MET A 48 14.157 24.368 23.010 1.00 0.00 ATOM 362 C MET A 48 13.925 23.175 23.299 1.00 0.00 ATOM 363 N ARG A 49 13.009 22.749 24.157 1.00 0.00 ATOM 364 CA ARG A 49 12.006 23.646 24.766 1.00 0.00 ATOM 365 CB ARG A 49 10.542 23.042 24.016 1.00 0.00 ATOM 366 CG ARG A 49 10.122 21.871 24.860 1.00 0.00 ATOM 367 CD ARG A 49 8.830 21.285 24.295 1.00 0.00 ATOM 368 NE ARG A 49 7.646 22.039 24.704 1.00 0.00 ATOM 369 CZ ARG A 49 6.482 22.020 24.057 1.00 0.00 ATOM 370 NH1 ARG A 49 6.345 21.290 22.955 1.00 0.00 ATOM 371 NH2 ARG A 49 5.449 22.720 24.515 1.00 0.00 ATOM 372 O ARG A 49 11.357 24.382 26.990 1.00 0.00 ATOM 373 C ARG A 49 12.270 23.982 26.251 1.00 0.00 ATOM 374 N PHE A 50 13.504 23.742 26.643 1.00 0.00 ATOM 375 CA PHE A 50 14.029 24.001 27.995 1.00 0.00 ATOM 376 CB PHE A 50 14.791 23.004 28.474 1.00 0.00 ATOM 377 CG PHE A 50 13.787 22.225 29.288 1.00 0.00 ATOM 378 CD1 PHE A 50 13.045 22.845 30.284 1.00 0.00 ATOM 379 CD2 PHE A 50 13.594 20.861 29.062 1.00 0.00 ATOM 380 CE1 PHE A 50 12.129 22.127 31.048 1.00 0.00 ATOM 381 CE2 PHE A 50 12.675 20.127 29.822 1.00 0.00 ATOM 382 CZ PHE A 50 11.942 20.754 30.814 1.00 0.00 ATOM 383 O PHE A 50 15.964 25.064 27.081 1.00 0.00 ATOM 384 C PHE A 50 14.967 25.179 27.790 1.00 0.00 ATOM 385 N GLY A 51 14.639 26.355 28.360 1.00 0.00 ATOM 386 CA GLY A 51 15.468 27.540 28.245 1.00 0.00 ATOM 387 O GLY A 51 17.779 27.754 28.793 1.00 0.00 ATOM 388 C GLY A 51 16.743 27.135 28.960 1.00 0.00 ATOM 389 N ILE A 52 16.645 26.106 29.900 1.00 0.00 ATOM 390 CA ILE A 52 17.751 25.681 30.740 1.00 0.00 ATOM 391 CB ILE A 52 17.333 25.289 32.169 1.00 0.00 ATOM 392 CG1 ILE A 52 16.358 24.110 32.134 1.00 0.00 ATOM 393 CG2 ILE A 52 16.651 26.457 32.864 1.00 0.00 ATOM 394 CD1 ILE A 52 16.057 23.526 33.497 1.00 0.00 ATOM 395 O ILE A 52 19.356 23.923 30.941 1.00 0.00 ATOM 396 C ILE A 52 18.512 24.454 30.209 1.00 0.00 ATOM 397 N LEU A 53 18.268 24.055 28.943 1.00 0.00 ATOM 398 CA LEU A 53 18.929 22.884 28.314 1.00 0.00 ATOM 399 CB LEU A 53 18.409 22.677 26.890 1.00 0.00 ATOM 400 CG LEU A 53 18.996 21.491 26.121 1.00 0.00 ATOM 401 CD1 LEU A 53 18.682 20.181 26.829 1.00 0.00 ATOM 402 CD2 LEU A 53 18.416 21.422 24.716 1.00 0.00 ATOM 403 O LEU A 53 21.189 22.074 28.560 1.00 0.00 ATOM 404 C LEU A 53 20.449 23.009 28.240 1.00 0.00 ATOM 405 N GLN A 54 20.885 24.153 27.840 1.00 0.00 ATOM 406 CA GLN A 54 22.323 24.416 27.772 1.00 0.00 ATOM 407 CB GLN A 54 22.662 25.775 27.156 1.00 0.00 ATOM 408 CG GLN A 54 22.346 25.879 25.673 1.00 0.00 ATOM 409 CD GLN A 54 22.590 27.271 25.123 1.00 0.00 ATOM 410 OE1 GLN A 54 22.903 28.198 25.869 1.00 0.00 ATOM 411 NE2 GLN A 54 22.448 27.419 23.810 1.00 0.00 ATOM 412 O GLN A 54 24.015 23.813 29.360 1.00 0.00 ATOM 413 C GLN A 54 22.939 24.380 29.166 1.00 0.00 ATOM 414 N ASP A 55 22.250 24.982 30.088 1.00 0.00 ATOM 415 CA ASP A 55 22.743 25.000 31.460 1.00 0.00 ATOM 416 CB ASP A 55 21.784 25.766 32.372 1.00 0.00 ATOM 417 CG ASP A 55 21.855 27.266 32.167 1.00 0.00 ATOM 418 OD1 ASP A 55 22.803 27.729 31.497 1.00 0.00 ATOM 419 OD2 ASP A 55 20.963 27.979 32.671 1.00 0.00 ATOM 420 O ASP A 55 23.854 23.261 32.686 1.00 0.00 ATOM 421 C ASP A 55 22.870 23.571 32.010 1.00 0.00 ATOM 422 N GLN A 56 21.859 22.716 31.758 1.00 0.00 ATOM 423 CA GLN A 56 21.891 21.327 32.217 1.00 0.00 ATOM 424 CB GLN A 56 20.552 20.638 31.938 1.00 0.00 ATOM 425 CG GLN A 56 19.405 21.141 32.797 1.00 0.00 ATOM 426 CD GLN A 56 18.075 20.518 32.417 1.00 0.00 ATOM 427 OE1 GLN A 56 17.984 19.778 31.439 1.00 0.00 ATOM 428 NE2 GLN A 56 17.041 20.818 33.193 1.00 0.00 ATOM 429 O GLN A 56 23.750 19.771 32.167 1.00 0.00 ATOM 430 C GLN A 56 22.981 20.482 31.532 1.00 0.00 ATOM 431 N VAL A 57 23.179 20.614 30.182 1.00 0.00 ATOM 432 CA VAL A 57 24.272 19.947 29.483 1.00 0.00 ATOM 433 CB VAL A 57 24.257 20.267 27.977 1.00 0.00 ATOM 434 CG1 VAL A 57 25.512 19.729 27.305 1.00 0.00 ATOM 435 CG2 VAL A 57 23.046 19.634 27.309 1.00 0.00 ATOM 436 O VAL A 57 26.496 19.575 30.318 1.00 0.00 ATOM 437 C VAL A 57 25.627 20.399 30.047 1.00 0.00 ATOM 438 N ASP A 58 25.806 21.710 30.311 1.00 0.00 ATOM 439 CA ASP A 58 27.052 22.210 30.874 1.00 0.00 ATOM 440 CB ASP A 58 27.037 23.738 30.937 1.00 0.00 ATOM 441 CG ASP A 58 27.183 24.378 29.570 1.00 0.00 ATOM 442 OD1 ASP A 58 27.541 23.661 28.613 1.00 0.00 ATOM 443 OD2 ASP A 58 26.940 25.598 29.457 1.00 0.00 ATOM 444 O ASP A 58 28.480 21.377 32.606 1.00 0.00 ATOM 445 C ASP A 58 27.335 21.711 32.284 1.00 0.00 ATOM 446 N LEU A 59 26.308 21.674 33.100 1.00 0.00 ATOM 447 CA LEU A 59 26.507 21.167 34.456 1.00 0.00 ATOM 448 CB LEU A 59 25.223 21.315 35.277 1.00 0.00 ATOM 449 CG LEU A 59 24.799 22.745 35.617 1.00 0.00 ATOM 450 CD1 LEU A 59 23.427 22.755 36.274 1.00 0.00 ATOM 451 CD2 LEU A 59 25.789 23.386 36.578 1.00 0.00 ATOM 452 O LEU A 59 27.828 19.228 34.979 1.00 0.00 ATOM 453 C LEU A 59 26.899 19.696 34.323 1.00 0.00 ATOM 454 N LEU A 60 26.218 19.000 33.513 1.00 0.00 ATOM 455 CA LEU A 60 26.530 17.596 33.264 1.00 0.00 ATOM 456 CB LEU A 60 25.427 17.060 32.297 1.00 0.00 ATOM 457 CG LEU A 60 25.617 15.616 31.833 1.00 0.00 ATOM 458 CD1 LEU A 60 25.598 14.638 32.994 1.00 0.00 ATOM 459 CD2 LEU A 60 24.500 15.273 30.834 1.00 0.00 ATOM 460 O LEU A 60 28.613 16.387 33.043 1.00 0.00 ATOM 461 C LEU A 60 27.965 17.389 32.749 1.00 0.00 ATOM 462 N LEU A 61 28.376 18.335 31.909 1.00 0.00 ATOM 463 CA LEU A 61 29.706 18.277 31.292 1.00 0.00 ATOM 464 CB LEU A 61 29.902 19.391 30.279 1.00 0.00 ATOM 465 CG LEU A 61 29.001 19.398 29.047 1.00 0.00 ATOM 466 CD1 LEU A 61 29.437 20.572 28.173 1.00 0.00 ATOM 467 CD2 LEU A 61 29.178 18.138 28.266 1.00 0.00 ATOM 468 O LEU A 61 31.699 17.577 32.430 1.00 0.00 ATOM 469 C LEU A 61 30.754 18.359 32.426 1.00 0.00 ATOM 470 N LYS A 62 30.604 19.308 33.349 1.00 0.00 ATOM 471 CA LYS A 62 31.602 19.458 34.407 1.00 0.00 ATOM 472 CB LYS A 62 31.202 20.584 35.365 1.00 0.00 ATOM 473 CG LYS A 62 31.305 21.975 34.765 1.00 0.00 ATOM 474 CD LYS A 62 30.897 23.041 35.770 1.00 0.00 ATOM 475 CE LYS A 62 30.976 24.432 35.162 1.00 0.00 ATOM 476 NZ LYS A 62 30.546 25.483 36.124 1.00 0.00 ATOM 477 O LYS A 62 32.836 17.785 35.609 1.00 0.00 ATOM 478 C LYS A 62 31.727 18.192 35.194 1.00 0.00 ATOM 479 N ALA A 63 30.610 17.573 35.483 1.00 0.00 ATOM 480 CA ALA A 63 30.588 16.319 36.213 1.00 0.00 ATOM 481 CB ALA A 63 29.125 15.948 36.484 1.00 0.00 ATOM 482 O ALA A 63 32.049 14.453 36.093 1.00 0.00 ATOM 483 C ALA A 63 31.312 15.238 35.482 1.00 0.00 ATOM 484 N SER A 64 33.621 18.528 30.407 1.00 0.00 ATOM 485 CA SER A 64 34.055 18.234 29.048 1.00 0.00 ATOM 486 CB SER A 64 34.250 16.728 28.861 1.00 0.00 ATOM 487 OG SER A 64 34.603 16.420 27.524 1.00 0.00 ATOM 488 O SER A 64 31.770 18.671 28.609 1.00 0.00 ATOM 489 C SER A 64 32.917 18.771 28.185 1.00 0.00 ATOM 490 N ASP A 65 33.188 19.350 26.999 1.00 0.00 ATOM 491 CA ASP A 65 32.198 19.968 26.166 1.00 0.00 ATOM 492 CB ASP A 65 32.839 20.515 24.888 1.00 0.00 ATOM 493 CG ASP A 65 33.669 21.758 25.140 1.00 0.00 ATOM 494 OD1 ASP A 65 33.587 22.312 26.256 1.00 0.00 ATOM 495 OD2 ASP A 65 34.404 22.177 24.222 1.00 0.00 ATOM 496 O ASP A 65 30.068 19.145 25.410 1.00 0.00 ATOM 497 C ASP A 65 31.187 18.869 25.843 1.00 0.00 ATOM 498 N SER A 66 31.544 17.627 26.113 1.00 0.00 ATOM 499 CA SER A 66 30.669 16.487 25.883 1.00 0.00 ATOM 500 CB SER A 66 31.272 15.550 24.834 1.00 0.00 ATOM 501 OG SER A 66 31.438 16.214 23.593 1.00 0.00 ATOM 502 O SER A 66 31.380 15.805 28.099 1.00 0.00 ATOM 503 C SER A 66 30.512 15.749 27.204 1.00 0.00 ATOM 504 N ILE A 67 29.453 14.975 27.273 1.00 0.00 ATOM 505 CA ILE A 67 29.159 14.192 28.446 1.00 0.00 ATOM 506 CB ILE A 67 27.671 14.284 28.830 1.00 0.00 ATOM 507 CG1 ILE A 67 27.286 15.735 29.126 1.00 0.00 ATOM 508 CG2 ILE A 67 27.387 13.447 30.067 1.00 0.00 ATOM 509 CD1 ILE A 67 25.799 15.948 29.302 1.00 0.00 ATOM 510 O ILE A 67 28.892 12.100 27.289 1.00 0.00 ATOM 511 C ILE A 67 29.506 12.722 28.162 1.00 0.00 ATOM 512 N GLU A 68 30.556 12.216 28.814 1.00 0.00 ATOM 513 CA GLU A 68 30.958 10.827 28.655 1.00 0.00 ATOM 514 CB GLU A 68 32.394 10.626 29.141 1.00 0.00 ATOM 515 CG GLU A 68 33.436 11.373 28.323 1.00 0.00 ATOM 516 CD GLU A 68 34.854 11.018 28.723 1.00 0.00 ATOM 517 OE1 GLU A 68 35.139 10.983 29.939 1.00 0.00 ATOM 518 OE2 GLU A 68 35.683 10.773 27.820 1.00 0.00 ATOM 519 O GLU A 68 29.112 10.426 30.094 1.00 0.00 ATOM 520 C GLU A 68 30.030 9.914 29.473 1.00 0.00 ATOM 521 N ALA A 69 30.129 8.506 29.524 1.00 0.00 ATOM 522 CA ALA A 69 29.204 7.670 30.272 1.00 0.00 ATOM 523 CB ALA A 69 29.502 6.199 30.025 1.00 0.00 ATOM 524 O ALA A 69 28.248 7.932 32.451 1.00 0.00 ATOM 525 C ALA A 69 29.275 7.895 31.771 1.00 0.00 ATOM 526 N SER A 70 30.488 8.083 32.280 1.00 0.00 ATOM 527 CA SER A 70 30.689 8.337 33.688 1.00 0.00 ATOM 528 CB SER A 70 32.173 8.565 33.985 1.00 0.00 ATOM 529 OG SER A 70 32.383 8.835 35.360 1.00 0.00 ATOM 530 O SER A 70 29.171 9.588 35.114 1.00 0.00 ATOM 531 C SER A 70 29.899 9.591 34.114 1.00 0.00 ATOM 532 N GLN A 71 30.026 10.646 33.319 1.00 0.00 ATOM 533 CA GLN A 71 29.349 11.921 33.548 1.00 0.00 ATOM 534 CB GLN A 71 29.817 12.966 32.533 1.00 0.00 ATOM 535 CG GLN A 71 31.253 13.425 32.731 1.00 0.00 ATOM 536 CD GLN A 71 31.715 14.374 31.643 1.00 0.00 ATOM 537 OE1 GLN A 71 30.998 14.619 30.672 1.00 0.00 ATOM 538 NE2 GLN A 71 32.919 14.912 31.802 1.00 0.00 ATOM 539 O GLN A 71 27.121 12.335 34.231 1.00 0.00 ATOM 540 C GLN A 71 27.844 11.752 33.421 1.00 0.00 ATOM 541 N ALA A 72 27.355 10.931 32.452 1.00 0.00 ATOM 542 CA ALA A 72 25.915 10.760 32.278 1.00 0.00 ATOM 543 CB ALA A 72 25.631 9.887 31.065 1.00 0.00 ATOM 544 O ALA A 72 24.283 10.526 34.033 1.00 0.00 ATOM 545 C ALA A 72 25.320 10.102 33.518 1.00 0.00 ATOM 546 N VAL A 73 25.966 9.036 33.971 1.00 0.00 ATOM 547 CA VAL A 73 25.503 8.316 35.154 1.00 0.00 ATOM 548 CB VAL A 73 26.375 7.079 35.438 1.00 0.00 ATOM 549 CG1 VAL A 73 26.003 6.462 36.778 1.00 0.00 ATOM 550 CG2 VAL A 73 26.181 6.030 34.355 1.00 0.00 ATOM 551 O VAL A 73 24.592 9.146 37.193 1.00 0.00 ATOM 552 C VAL A 73 25.545 9.218 36.386 1.00 0.00 ATOM 553 N ALA A 74 26.617 9.962 36.606 1.00 0.00 ATOM 554 CA ALA A 74 26.715 10.803 37.799 1.00 0.00 ATOM 555 CB ALA A 74 28.088 11.455 37.862 1.00 0.00 ATOM 556 O ALA A 74 24.977 12.150 38.752 1.00 0.00 ATOM 557 C ALA A 74 25.636 11.882 37.748 1.00 0.00 ATOM 558 N LEU A 75 25.452 12.492 36.577 1.00 0.00 ATOM 559 CA LEU A 75 24.437 13.533 36.441 1.00 0.00 ATOM 560 CB LEU A 75 24.444 14.208 35.053 1.00 0.00 ATOM 561 CG LEU A 75 23.191 15.052 34.792 1.00 0.00 ATOM 562 CD1 LEU A 75 23.283 16.406 35.464 1.00 0.00 ATOM 563 CD2 LEU A 75 22.939 15.280 33.320 1.00 0.00 ATOM 564 O LEU A 75 22.253 13.531 37.408 1.00 0.00 ATOM 565 C LEU A 75 23.048 12.969 36.689 1.00 0.00 ATOM 566 N ILE A 76 22.741 11.860 36.066 1.00 0.00 ATOM 567 CA ILE A 76 21.436 11.269 36.292 1.00 0.00 ATOM 568 CB ILE A 76 21.239 9.996 35.447 1.00 0.00 ATOM 569 CG1 ILE A 76 21.159 10.349 33.961 1.00 0.00 ATOM 570 CG2 ILE A 76 19.954 9.287 35.844 1.00 0.00 ATOM 571 CD1 ILE A 76 21.228 9.148 33.044 1.00 0.00 ATOM 572 O ILE A 76 20.186 11.107 38.342 1.00 0.00 ATOM 573 C ILE A 76 21.274 10.915 37.770 1.00 0.00 ATOM 574 N ALA A 77 22.376 10.490 38.425 1.00 0.00 ATOM 575 CA ALA A 77 22.348 10.157 39.860 1.00 0.00 ATOM 576 CB ALA A 77 23.746 9.795 40.334 1.00 0.00 ATOM 577 O ALA A 77 21.506 11.207 41.854 1.00 0.00 ATOM 578 C ALA A 77 22.053 11.373 40.741 1.00 0.00 ATOM 579 N ARG A 78 22.326 12.591 40.263 1.00 0.00 ATOM 580 CA ARG A 78 21.996 13.784 41.048 1.00 0.00 ATOM 581 CB ARG A 78 23.156 14.867 40.846 1.00 0.00 ATOM 582 CG ARG A 78 24.564 14.322 40.975 1.00 0.00 ATOM 583 CD ARG A 78 25.659 15.407 40.765 1.00 0.00 ATOM 584 NE ARG A 78 25.989 16.053 42.046 1.00 0.00 ATOM 585 CZ ARG A 78 26.831 15.530 42.933 1.00 0.00 ATOM 586 NH1 ARG A 78 27.428 14.359 42.657 1.00 0.00 ATOM 587 NH2 ARG A 78 27.067 16.118 44.088 1.00 0.00 ATOM 588 O ARG A 78 20.382 15.534 40.775 1.00 0.00 ATOM 589 C ARG A 78 20.697 14.379 40.508 1.00 0.00 ATOM 590 N MET A 79 19.935 13.596 39.757 1.00 0.00 ATOM 591 CA MET A 79 18.636 14.071 39.283 1.00 0.00 ATOM 592 CB MET A 79 18.045 13.090 38.268 1.00 0.00 ATOM 593 CG MET A 79 18.815 13.012 36.959 1.00 0.00 ATOM 594 SD MET A 79 18.106 11.822 35.805 1.00 0.00 ATOM 595 CE MET A 79 16.661 12.716 35.240 1.00 0.00 ATOM 596 O MET A 79 17.732 13.478 41.411 1.00 0.00 ATOM 597 C MET A 79 17.640 14.204 40.421 1.00 0.00 ATOM 598 N ASP A 80 16.628 15.060 40.236 1.00 0.00 ATOM 599 CA ASP A 80 15.562 15.200 41.218 1.00 0.00 ATOM 600 CB ASP A 80 14.503 16.189 40.726 1.00 0.00 ATOM 601 CG ASP A 80 14.986 17.626 40.762 1.00 0.00 ATOM 602 OD1 ASP A 80 16.061 17.877 41.350 1.00 0.00 ATOM 603 OD2 ASP A 80 14.291 18.502 40.206 1.00 0.00 ATOM 604 O ASP A 80 14.810 13.046 40.499 1.00 0.00 ATOM 605 C ASP A 80 14.922 13.835 41.438 1.00 0.00 ATOM 606 N GLU A 81 14.451 13.545 42.723 1.00 0.00 ATOM 607 CA GLU A 81 13.819 12.258 42.987 1.00 0.00 ATOM 608 CB GLU A 81 13.258 12.219 44.410 1.00 0.00 ATOM 609 CG GLU A 81 14.319 12.162 45.496 1.00 0.00 ATOM 610 CD GLU A 81 13.733 12.247 46.890 1.00 0.00 ATOM 611 OE1 GLU A 81 12.502 12.427 47.008 1.00 0.00 ATOM 612 OE2 GLU A 81 14.503 12.138 47.867 1.00 0.00 ATOM 613 O GLU A 81 12.491 10.823 41.595 1.00 0.00 ATOM 614 C GLU A 81 12.656 11.958 42.032 1.00 0.00 ATOM 615 N GLU A 82 11.861 12.976 41.703 1.00 0.00 ATOM 616 CA GLU A 82 10.709 12.711 40.801 1.00 0.00 ATOM 617 CB GLU A 82 9.787 13.930 40.736 1.00 0.00 ATOM 618 CG GLU A 82 9.016 14.193 42.019 1.00 0.00 ATOM 619 CD GLU A 82 8.183 15.457 41.950 1.00 0.00 ATOM 620 OE1 GLU A 82 8.259 16.163 40.922 1.00 0.00 ATOM 621 OE2 GLU A 82 7.457 15.745 42.924 1.00 0.00 ATOM 622 O GLU A 82 10.606 11.517 38.710 1.00 0.00 ATOM 623 C GLU A 82 11.213 12.343 39.396 1.00 0.00 ATOM 624 N ARG A 83 12.326 12.966 38.968 1.00 0.00 ATOM 625 CA ARG A 83 12.905 12.659 37.660 1.00 0.00 ATOM 626 CB ARG A 83 14.173 13.477 37.414 1.00 0.00 ATOM 627 CG ARG A 83 13.919 14.953 37.153 1.00 0.00 ATOM 628 CD ARG A 83 15.222 15.718 36.991 1.00 0.00 ATOM 629 NE ARG A 83 14.996 17.145 36.767 1.00 0.00 ATOM 630 CZ ARG A 83 15.965 18.048 36.665 1.00 0.00 ATOM 631 NH1 ARG A 83 15.664 19.323 36.463 1.00 0.00 ATOM 632 NH2 ARG A 83 17.233 17.674 36.768 1.00 0.00 ATOM 633 O ARG A 83 13.093 10.528 36.601 1.00 0.00 ATOM 634 C ARG A 83 13.307 11.204 37.615 1.00 0.00 ATOM 635 N LYS A 84 13.845 10.696 38.722 1.00 0.00 ATOM 636 CA LYS A 84 14.193 9.293 38.812 1.00 0.00 ATOM 637 CB LYS A 84 15.020 8.984 40.061 1.00 0.00 ATOM 638 CG LYS A 84 16.406 9.608 40.057 1.00 0.00 ATOM 639 CD LYS A 84 17.169 9.266 41.327 1.00 0.00 ATOM 640 CE LYS A 84 18.554 9.891 41.323 1.00 0.00 ATOM 641 NZ LYS A 84 19.304 9.587 42.573 1.00 0.00 ATOM 642 O LYS A 84 13.097 7.264 38.248 1.00 0.00 ATOM 643 C LYS A 84 13.022 8.380 38.813 1.00 0.00 ATOM 644 N LYS A 85 11.930 8.820 39.451 1.00 0.00 ATOM 645 CA LYS A 85 10.689 8.025 39.412 1.00 0.00 ATOM 646 CB LYS A 85 9.582 8.721 40.206 1.00 0.00 ATOM 647 CG LYS A 85 9.799 8.718 41.710 1.00 0.00 ATOM 648 CD LYS A 85 8.663 9.421 42.433 1.00 0.00 ATOM 649 CE LYS A 85 8.892 9.438 43.936 1.00 0.00 ATOM 650 NZ LYS A 85 7.804 10.155 44.656 1.00 0.00 ATOM 651 O LYS A 85 9.772 6.792 37.506 1.00 0.00 ATOM 652 C LYS A 85 10.242 7.866 37.963 1.00 0.00 ATOM 653 N TYR A 86 10.295 8.990 37.223 1.00 0.00 ATOM 654 CA TYR A 86 9.897 8.955 35.789 1.00 0.00 ATOM 655 CB TYR A 86 9.994 10.352 35.172 1.00 0.00 ATOM 656 CG TYR A 86 9.634 10.398 33.704 1.00 0.00 ATOM 657 CD1 TYR A 86 8.306 10.381 33.297 1.00 0.00 ATOM 658 CD2 TYR A 86 10.623 10.461 32.731 1.00 0.00 ATOM 659 CE1 TYR A 86 7.968 10.424 31.957 1.00 0.00 ATOM 660 CE2 TYR A 86 10.304 10.504 31.387 1.00 0.00 ATOM 661 CZ TYR A 86 8.962 10.485 31.005 1.00 0.00 ATOM 662 OH TYR A 86 8.629 10.528 29.671 1.00 0.00 ATOM 663 O TYR A 86 10.262 7.241 34.154 1.00 0.00 ATOM 664 C TYR A 86 10.815 8.027 35.012 1.00 0.00 ATOM 665 N VAL A 87 12.115 8.054 35.292 1.00 0.00 ATOM 666 CA VAL A 87 13.075 7.199 34.550 1.00 0.00 ATOM 667 CB VAL A 87 14.531 7.501 34.953 1.00 0.00 ATOM 668 CG1 VAL A 87 15.475 6.479 34.340 1.00 0.00 ATOM 669 CG2 VAL A 87 14.940 8.885 34.471 1.00 0.00 ATOM 670 O VAL A 87 12.807 4.829 33.994 1.00 0.00 ATOM 671 C VAL A 87 12.785 5.726 34.858 1.00 0.00 ATOM 672 N ALA A 88 12.568 5.489 36.125 1.00 0.00 ATOM 673 CA ALA A 88 12.275 4.119 36.596 1.00 0.00 ATOM 674 CB ALA A 88 12.057 4.112 38.101 1.00 0.00 ATOM 675 O ALA A 88 11.051 2.393 35.483 1.00 0.00 ATOM 676 C ALA A 88 11.042 3.552 35.913 1.00 0.00 ATOM 677 N SER A 89 9.971 4.361 35.788 1.00 0.00 ATOM 678 CA SER A 89 8.735 3.916 35.135 1.00 0.00 ATOM 679 CB SER A 89 7.651 4.994 35.192 1.00 0.00 ATOM 680 OG SER A 89 7.282 5.276 36.530 1.00 0.00 ATOM 681 O SER A 89 8.514 2.558 33.167 1.00 0.00 ATOM 682 C SER A 89 8.967 3.589 33.666 1.00 0.00 ATOM 683 N TYR A 90 9.662 4.475 32.986 1.00 0.00 ATOM 684 CA TYR A 90 9.939 4.265 31.575 1.00 0.00 ATOM 685 CB TYR A 90 10.643 5.415 30.949 1.00 0.00 ATOM 686 CG TYR A 90 10.773 5.386 29.425 1.00 0.00 ATOM 687 CD1 TYR A 90 9.679 5.313 28.612 1.00 0.00 ATOM 688 CD2 TYR A 90 12.007 5.436 28.848 1.00 0.00 ATOM 689 CE1 TYR A 90 9.792 5.334 27.239 1.00 0.00 ATOM 690 CE2 TYR A 90 12.136 5.480 27.468 1.00 0.00 ATOM 691 CZ TYR A 90 11.035 5.409 26.693 1.00 0.00 ATOM 692 OH TYR A 90 11.071 5.434 25.310 1.00 0.00 ATOM 693 O TYR A 90 10.504 2.176 30.522 1.00 0.00 ATOM 694 C TYR A 90 10.805 3.023 31.367 1.00 0.00 ATOM 695 N LEU A 91 11.861 2.920 32.155 1.00 0.00 ATOM 696 CA LEU A 91 12.749 1.771 32.024 1.00 0.00 ATOM 697 CB LEU A 91 13.934 1.875 32.984 1.00 0.00 ATOM 698 CG LEU A 91 14.872 3.027 32.613 1.00 0.00 ATOM 699 CD1 LEU A 91 16.012 3.113 33.639 1.00 0.00 ATOM 700 CD2 LEU A 91 15.440 2.798 31.225 1.00 0.00 ATOM 701 O LEU A 91 12.298 -0.563 31.722 1.00 0.00 ATOM 702 C LEU A 91 12.066 0.454 32.375 1.00 0.00 ATOM 703 N GLY A 92 11.213 0.463 33.394 1.00 0.00 ATOM 704 CA GLY A 92 10.506 -0.741 33.786 1.00 0.00 ATOM 705 O GLY A 92 9.366 -2.359 32.415 1.00 0.00 ATOM 706 C GLY A 92 9.494 -1.172 32.727 1.00 0.00 ATOM 707 N VAL A 93 8.807 -0.218 32.134 1.00 0.00 ATOM 708 CA VAL A 93 7.880 -0.526 31.051 1.00 0.00 ATOM 709 CB VAL A 93 7.145 0.748 30.593 1.00 0.00 ATOM 710 CG1 VAL A 93 6.309 0.464 29.353 1.00 0.00 ATOM 711 CG2 VAL A 93 6.220 1.252 31.691 1.00 0.00 ATOM 712 O VAL A 93 8.194 -2.184 29.337 1.00 0.00 ATOM 713 C VAL A 93 8.613 -1.155 29.871 1.00 0.00 ATOM 714 N ILE A 94 9.745 -0.555 29.514 1.00 0.00 ATOM 715 CA ILE A 94 10.553 -1.040 28.406 1.00 0.00 ATOM 716 CB ILE A 94 11.757 -0.132 28.091 1.00 0.00 ATOM 717 CG1 ILE A 94 11.279 1.227 27.573 1.00 0.00 ATOM 718 CG2 ILE A 94 12.641 -0.767 27.028 1.00 0.00 ATOM 719 CD1 ILE A 94 12.373 2.269 27.492 1.00 0.00 ATOM 720 O ILE A 94 10.993 -3.327 27.806 1.00 0.00 ATOM 721 C ILE A 94 11.126 -2.436 28.648 1.00 0.00 ATOM 722 N MET A 95 11.698 -2.625 29.811 1.00 0.00 ATOM 723 CA MET A 95 12.292 -3.920 30.142 1.00 0.00 ATOM 724 CB MET A 95 13.086 -3.830 31.446 1.00 0.00 ATOM 725 CG MET A 95 14.350 -2.990 31.347 1.00 0.00 ATOM 726 SD MET A 95 15.504 -3.615 30.110 1.00 0.00 ATOM 727 CE MET A 95 15.991 -5.168 30.856 1.00 0.00 ATOM 728 O MET A 95 11.612 -6.202 29.858 1.00 0.00 ATOM 729 C MET A 95 11.289 -5.072 30.209 1.00 0.00 ATOM 730 N ALA A 96 10.077 -4.782 30.654 1.00 0.00 ATOM 731 CA ALA A 96 9.040 -5.809 30.775 1.00 0.00 ATOM 732 CB ALA A 96 7.961 -5.427 31.777 1.00 0.00 ATOM 733 O ALA A 96 7.629 -7.122 29.370 1.00 0.00 ATOM 734 C ALA A 96 8.378 -6.148 29.431 1.00 0.00 ATOM 735 N SER A 97 8.712 -5.225 28.358 1.00 0.00 ATOM 736 CA SER A 97 8.044 -5.491 27.104 1.00 0.00 ATOM 737 CB SER A 97 8.525 -4.478 26.062 1.00 0.00 ATOM 738 OG SER A 97 7.948 -4.740 24.794 1.00 0.00 ATOM 739 O SER A 97 9.461 -7.369 26.599 1.00 0.00 ATOM 740 C SER A 97 8.329 -6.871 26.570 1.00 0.00 ATOM 741 N ASP A 98 7.285 -7.483 25.949 1.00 0.00 ATOM 742 CA ASP A 98 7.483 -8.846 25.424 1.00 0.00 ATOM 743 CB ASP A 98 6.156 -9.426 24.928 1.00 0.00 ATOM 744 CG ASP A 98 5.222 -9.794 26.063 1.00 0.00 ATOM 745 OD1 ASP A 98 5.672 -9.793 27.228 1.00 0.00 ATOM 746 OD2 ASP A 98 4.038 -10.083 25.788 1.00 0.00 ATOM 747 O ASP A 98 8.682 -7.816 23.574 1.00 0.00 ATOM 748 C ASP A 98 8.504 -8.803 24.273 1.00 0.00 ATOM 749 N GLY A 99 9.149 -9.959 24.169 1.00 0.00 ATOM 750 CA GLY A 99 10.126 -10.279 23.183 1.00 0.00 ATOM 751 O GLY A 99 10.369 -9.683 20.834 1.00 0.00 ATOM 752 C GLY A 99 9.627 -10.120 21.750 1.00 0.00 ATOM 753 N ASP A 100 8.374 -10.566 21.524 1.00 0.00 ATOM 754 CA ASP A 100 7.793 -10.458 20.194 1.00 0.00 ATOM 755 CB ASP A 100 6.382 -11.051 20.176 1.00 0.00 ATOM 756 CG ASP A 100 6.386 -12.565 20.261 1.00 0.00 ATOM 757 OD1 ASP A 100 7.468 -13.167 20.095 1.00 0.00 ATOM 758 OD2 ASP A 100 5.307 -13.150 20.495 1.00 0.00 ATOM 759 O ASP A 100 8.310 -8.543 18.811 1.00 0.00 ATOM 760 C ASP A 100 7.762 -8.965 19.834 1.00 0.00 ATOM 761 N ILE A 101 7.182 -8.191 20.670 1.00 0.00 ATOM 762 CA ILE A 101 7.094 -6.751 20.465 1.00 0.00 ATOM 763 CB ILE A 101 6.191 -6.080 21.518 1.00 0.00 ATOM 764 CG1 ILE A 101 4.744 -6.549 21.355 1.00 0.00 ATOM 765 CG2 ILE A 101 6.228 -4.567 21.363 1.00 0.00 ATOM 766 CD1 ILE A 101 3.842 -6.150 22.502 1.00 0.00 ATOM 767 O ILE A 101 8.817 -5.274 19.689 1.00 0.00 ATOM 768 C ILE A 101 8.466 -6.099 20.535 1.00 0.00 ATOM 769 N ASP A 102 9.294 -6.396 21.632 1.00 0.00 ATOM 770 CA ASP A 102 10.600 -5.773 21.843 1.00 0.00 ATOM 771 CB ASP A 102 11.246 -6.304 23.123 1.00 0.00 ATOM 772 CG ASP A 102 12.547 -5.600 23.455 1.00 0.00 ATOM 773 OD1 ASP A 102 12.516 -4.373 23.684 1.00 0.00 ATOM 774 OD2 ASP A 102 13.597 -6.276 23.486 1.00 0.00 ATOM 775 O ASP A 102 12.248 -5.212 20.203 1.00 0.00 ATOM 776 C ASP A 102 11.509 -6.092 20.654 1.00 0.00 ATOM 777 N ASP A 103 11.447 -7.312 20.159 1.00 0.00 ATOM 778 CA ASP A 103 12.278 -7.713 19.024 1.00 0.00 ATOM 779 CB ASP A 103 12.057 -9.190 18.693 1.00 0.00 ATOM 780 CG ASP A 103 12.986 -9.687 17.601 1.00 0.00 ATOM 781 OD1 ASP A 103 14.216 -9.663 17.813 1.00 0.00 ATOM 782 OD2 ASP A 103 12.482 -10.102 16.537 1.00 0.00 ATOM 783 O ASP A 103 12.718 -6.332 17.103 1.00 0.00 ATOM 784 C ASP A 103 11.866 -6.826 17.856 1.00 0.00 ATOM 785 N ASN A 104 10.563 -6.634 17.680 1.00 0.00 ATOM 786 CA ASN A 104 10.072 -5.803 16.583 1.00 0.00 ATOM 787 CB ASN A 104 8.547 -5.885 16.492 1.00 0.00 ATOM 788 CG ASN A 104 8.068 -7.220 15.957 1.00 0.00 ATOM 789 ND2 ASN A 104 6.813 -7.552 16.237 1.00 0.00 ATOM 790 OD1 ASN A 104 8.818 -7.943 15.301 1.00 0.00 ATOM 791 O ASN A 104 10.877 -3.692 15.787 1.00 0.00 ATOM 792 C ASN A 104 10.483 -4.356 16.752 1.00 0.00 ATOM 793 N GLU A 105 10.471 -3.879 18.005 1.00 0.00 ATOM 794 CA GLU A 105 10.862 -2.500 18.266 1.00 0.00 ATOM 795 CB GLU A 105 10.673 -2.173 19.749 1.00 0.00 ATOM 796 CG GLU A 105 9.220 -2.044 20.176 1.00 0.00 ATOM 797 CD GLU A 105 9.066 -1.858 21.672 1.00 0.00 ATOM 798 OE1 GLU A 105 10.090 -1.911 22.385 1.00 0.00 ATOM 799 OE2 GLU A 105 7.922 -1.658 22.132 1.00 0.00 ATOM 800 O GLU A 105 12.727 -1.323 17.321 1.00 0.00 ATOM 801 C GLU A 105 12.349 -2.295 17.970 1.00 0.00 ATOM 802 N LEU A 106 13.207 -3.215 18.434 1.00 0.00 ATOM 803 CA LEU A 106 14.638 -3.089 18.182 1.00 0.00 ATOM 804 CB LEU A 106 15.428 -4.211 18.854 1.00 0.00 ATOM 805 CG LEU A 106 16.959 -4.128 18.778 1.00 0.00 ATOM 806 CD1 LEU A 106 17.452 -2.765 19.276 1.00 0.00 ATOM 807 CD2 LEU A 106 17.573 -5.254 19.609 1.00 0.00 ATOM 808 O LEU A 106 15.783 -2.410 16.186 1.00 0.00 ATOM 809 C LEU A 106 14.941 -3.156 16.686 1.00 0.00 ATOM 810 N ALA A 107 14.253 -4.045 16.019 1.00 0.00 ATOM 811 CA ALA A 107 14.477 -4.186 14.580 1.00 0.00 ATOM 812 CB ALA A 107 13.594 -5.310 14.057 1.00 0.00 ATOM 813 O ALA A 107 14.861 -2.511 12.912 1.00 0.00 ATOM 814 C ALA A 107 14.112 -2.939 13.786 1.00 0.00 ATOM 815 N LEU A 108 12.958 -2.345 14.074 1.00 0.00 ATOM 816 CA LEU A 108 12.511 -1.142 13.382 1.00 0.00 ATOM 817 CB LEU A 108 11.111 -0.711 13.825 1.00 0.00 ATOM 818 CG LEU A 108 9.970 -1.677 13.499 1.00 0.00 ATOM 819 CD1 LEU A 108 8.669 -1.202 14.128 1.00 0.00 ATOM 820 CD2 LEU A 108 9.763 -1.777 11.995 1.00 0.00 ATOM 821 O LEU A 108 13.836 0.735 12.691 1.00 0.00 ATOM 822 C LEU A 108 13.499 -0.003 13.613 1.00 0.00 ATOM 823 N TRP A 109 13.952 0.129 14.839 1.00 0.00 ATOM 824 CA TRP A 109 14.924 1.168 15.167 1.00 0.00 ATOM 825 CB TRP A 109 15.205 1.141 16.671 1.00 0.00 ATOM 826 CG TRP A 109 14.041 1.583 17.506 1.00 0.00 ATOM 827 CD1 TRP A 109 12.897 2.183 17.065 1.00 0.00 ATOM 828 CD2 TRP A 109 13.909 1.461 18.927 1.00 0.00 ATOM 829 CE2 TRP A 109 12.659 2.009 19.278 1.00 0.00 ATOM 830 CE3 TRP A 109 14.725 0.944 19.937 1.00 0.00 ATOM 831 NE1 TRP A 109 12.060 2.442 18.123 1.00 0.00 ATOM 832 CZ2 TRP A 109 12.206 2.052 20.596 1.00 0.00 ATOM 833 CZ3 TRP A 109 14.272 0.989 21.243 1.00 0.00 ATOM 834 CH2 TRP A 109 13.025 1.539 21.563 1.00 0.00 ATOM 835 O TRP A 109 16.858 1.890 13.921 1.00 0.00 ATOM 836 C TRP A 109 16.245 0.953 14.424 1.00 0.00 ATOM 837 N THR A 110 16.706 -0.285 14.373 1.00 0.00 ATOM 838 CA THR A 110 17.950 -0.549 13.646 1.00 0.00 ATOM 839 CB THR A 110 18.384 -2.020 13.786 1.00 0.00 ATOM 840 CG2 THR A 110 19.652 -2.280 12.986 1.00 0.00 ATOM 841 OG1 THR A 110 18.636 -2.318 15.164 1.00 0.00 ATOM 842 O THR A 110 18.575 0.392 11.518 1.00 0.00 ATOM 843 C THR A 110 17.749 -0.248 12.161 1.00 0.00 ATOM 844 N LEU A 111 16.625 -0.647 11.561 1.00 0.00 ATOM 845 CA LEU A 111 16.327 -0.344 10.166 1.00 0.00 ATOM 846 CB LEU A 111 14.928 -0.840 9.797 1.00 0.00 ATOM 847 CG LEU A 111 14.473 -0.581 8.359 1.00 0.00 ATOM 848 CD1 LEU A 111 15.368 -1.315 7.372 1.00 0.00 ATOM 849 CD2 LEU A 111 13.045 -1.059 8.151 1.00 0.00 ATOM 850 O LEU A 111 16.970 1.600 8.934 1.00 0.00 ATOM 851 C LEU A 111 16.347 1.148 9.900 1.00 0.00 ATOM 852 N ILE A 112 15.691 2.020 10.810 1.00 0.00 ATOM 853 CA ILE A 112 15.584 3.437 10.540 1.00 0.00 ATOM 854 CB ILE A 112 14.406 4.061 11.312 1.00 0.00 ATOM 855 CG1 ILE A 112 13.075 3.561 10.747 1.00 0.00 ATOM 856 CG2 ILE A 112 14.438 5.578 11.200 1.00 0.00 ATOM 857 CD1 ILE A 112 11.876 3.923 11.597 1.00 0.00 ATOM 858 O ILE A 112 17.131 5.290 10.393 1.00 0.00 ATOM 859 C ILE A 112 16.821 4.231 10.962 1.00 0.00 ATOM 860 N SER A 113 17.489 3.777 12.011 1.00 0.00 ATOM 861 CA SER A 113 18.699 4.429 12.464 1.00 0.00 ATOM 862 CB SER A 113 19.267 3.710 13.690 1.00 0.00 ATOM 863 OG SER A 113 19.706 2.403 13.357 1.00 0.00 ATOM 864 O SER A 113 20.329 5.452 11.030 1.00 0.00 ATOM 865 C SER A 113 19.666 4.449 11.286 1.00 0.00 ATOM 866 N THR A 114 19.707 3.343 10.506 1.00 0.00 ATOM 867 CA THR A 114 20.589 3.234 9.352 1.00 0.00 ATOM 868 CB THR A 114 20.611 1.794 8.808 1.00 0.00 ATOM 869 CG2 THR A 114 21.524 1.696 7.595 1.00 0.00 ATOM 870 OG1 THR A 114 21.092 0.903 9.823 1.00 0.00 ATOM 871 O THR A 114 20.911 4.905 7.646 1.00 0.00 ATOM 872 C THR A 114 20.131 4.144 8.214 1.00 0.00 ATOM 873 N LEU A 115 18.847 4.066 7.840 1.00 0.00 ATOM 874 CA LEU A 115 18.294 4.889 6.783 1.00 0.00 ATOM 875 CB LEU A 115 16.842 4.335 6.541 1.00 0.00 ATOM 876 CG LEU A 115 15.964 5.120 5.573 1.00 0.00 ATOM 877 CD1 LEU A 115 16.569 5.168 4.186 1.00 0.00 ATOM 878 CD2 LEU A 115 14.580 4.487 5.571 1.00 0.00 ATOM 879 O LEU A 115 18.694 7.195 6.203 1.00 0.00 ATOM 880 C LEU A 115 18.437 6.387 7.095 1.00 0.00 ATOM 881 N CYS A 116 18.243 6.790 8.362 1.00 0.00 ATOM 882 CA CYS A 116 18.322 8.188 8.748 1.00 0.00 ATOM 883 CB CYS A 116 17.306 8.464 9.857 1.00 0.00 ATOM 884 SG CYS A 116 15.583 8.207 9.373 1.00 0.00 ATOM 885 O CYS A 116 19.960 9.719 9.625 1.00 0.00 ATOM 886 C CYS A 116 19.725 8.579 9.222 1.00 0.00 ATOM 887 N GLY A 117 20.628 7.610 9.189 1.00 0.00 ATOM 888 CA GLY A 117 22.009 7.880 9.564 1.00 0.00 ATOM 889 O GLY A 117 23.076 9.169 11.272 1.00 0.00 ATOM 890 C GLY A 117 22.273 8.276 11.003 1.00 0.00 ATOM 891 N LEU A 118 21.644 7.632 11.937 1.00 0.00 ATOM 892 CA LEU A 118 21.813 7.914 13.358 1.00 0.00 ATOM 893 CB LEU A 118 20.420 8.050 13.976 1.00 0.00 ATOM 894 CG LEU A 118 19.518 9.133 13.383 1.00 0.00 ATOM 895 CD1 LEU A 118 18.115 9.044 13.963 1.00 0.00 ATOM 896 CD2 LEU A 118 20.071 10.518 13.685 1.00 0.00 ATOM 897 O LEU A 118 22.712 5.723 13.392 1.00 0.00 ATOM 898 C LEU A 118 22.579 6.776 13.995 1.00 0.00 ATOM 899 N PRO A 119 23.108 6.976 15.198 1.00 0.00 ATOM 900 CA PRO A 119 23.844 5.901 15.885 1.00 0.00 ATOM 901 CB PRO A 119 24.214 6.512 17.237 1.00 0.00 ATOM 902 CG PRO A 119 23.211 7.596 17.446 1.00 0.00 ATOM 903 CD PRO A 119 22.895 8.140 16.080 1.00 0.00 ATOM 904 O PRO A 119 21.684 4.908 16.203 1.00 0.00 ATOM 905 C PRO A 119 22.915 4.704 16.022 1.00 0.00 ATOM 906 N THR A 120 23.422 3.462 15.893 1.00 0.00 ATOM 907 CA THR A 120 22.539 2.304 15.810 1.00 0.00 ATOM 908 CB THR A 120 23.338 0.998 15.651 1.00 0.00 ATOM 909 CG2 THR A 120 22.400 -0.199 15.598 1.00 0.00 ATOM 910 OG1 THR A 120 24.101 1.044 14.439 1.00 0.00 ATOM 911 O THR A 120 20.526 1.578 16.898 1.00 0.00 ATOM 912 C THR A 120 21.640 2.104 17.037 1.00 0.00 ATOM 913 N MET A 121 22.257 2.496 18.254 1.00 0.00 ATOM 914 CA MET A 121 21.603 2.215 19.535 1.00 0.00 ATOM 915 CB MET A 121 22.623 2.248 20.674 1.00 0.00 ATOM 916 CG MET A 121 23.662 1.140 20.609 1.00 0.00 ATOM 917 SD MET A 121 22.926 -0.506 20.629 1.00 0.00 ATOM 918 CE MET A 121 22.227 -0.545 22.278 1.00 0.00 ATOM 919 O MET A 121 19.919 3.130 20.998 1.00 0.00 ATOM 920 C MET A 121 20.499 3.223 19.910 1.00 0.00 ATOM 921 N THR A 122 20.268 4.204 19.033 1.00 0.00 ATOM 922 CA THR A 122 19.274 5.240 19.267 1.00 0.00 ATOM 923 CB THR A 122 19.183 6.212 18.077 1.00 0.00 ATOM 924 CG2 THR A 122 18.166 7.307 18.361 1.00 0.00 ATOM 925 OG1 THR A 122 20.462 6.817 17.850 1.00 0.00 ATOM 926 O THR A 122 17.443 3.781 18.719 1.00 0.00 ATOM 927 C THR A 122 17.885 4.633 19.474 1.00 0.00 ATOM 928 N VAL A 123 17.268 5.018 20.579 1.00 0.00 ATOM 929 CA VAL A 123 15.916 4.571 20.919 1.00 0.00 ATOM 930 CB VAL A 123 15.745 4.397 22.439 1.00 0.00 ATOM 931 CG1 VAL A 123 14.322 3.978 22.771 1.00 0.00 ATOM 932 CG2 VAL A 123 16.695 3.329 22.963 1.00 0.00 ATOM 933 O VAL A 123 14.862 6.750 20.988 1.00 0.00 ATOM 934 C VAL A 123 14.962 5.665 20.398 1.00 0.00 ATOM 935 N MET A 124 14.453 5.474 19.190 1.00 0.00 ATOM 936 CA MET A 124 13.574 6.480 18.583 1.00 0.00 ATOM 937 CB MET A 124 13.211 6.077 17.152 1.00 0.00 ATOM 938 CG MET A 124 14.374 6.137 16.175 1.00 0.00 ATOM 939 SD MET A 124 15.068 7.794 16.020 1.00 0.00 ATOM 940 CE MET A 124 13.727 8.648 15.197 1.00 0.00 ATOM 941 O MET A 124 11.750 7.776 19.445 1.00 0.00 ATOM 942 C MET A 124 12.261 6.665 19.358 1.00 0.00 ATOM 943 N GLU A 125 11.718 5.595 19.921 1.00 0.00 ATOM 944 CA GLU A 125 10.508 5.664 20.734 1.00 0.00 ATOM 945 CB GLU A 125 10.170 4.288 21.311 1.00 0.00 ATOM 946 CG GLU A 125 8.894 4.257 22.138 1.00 0.00 ATOM 947 CD GLU A 125 8.575 2.872 22.665 1.00 0.00 ATOM 948 OE1 GLU A 125 9.345 1.933 22.372 1.00 0.00 ATOM 949 OE2 GLU A 125 7.555 2.725 23.370 1.00 0.00 ATOM 950 O GLU A 125 9.920 7.537 22.117 1.00 0.00 ATOM 951 C GLU A 125 10.727 6.648 21.881 1.00 0.00 ATOM 952 N ALA A 126 11.820 6.466 22.607 1.00 0.00 ATOM 953 CA ALA A 126 12.088 7.327 23.755 1.00 0.00 ATOM 954 CB ALA A 126 13.380 6.887 24.427 1.00 0.00 ATOM 955 O ALA A 126 11.688 9.685 23.967 1.00 0.00 ATOM 956 C ALA A 126 12.248 8.786 23.341 1.00 0.00 ATOM 957 N ILE A 127 13.018 9.013 22.283 1.00 0.00 ATOM 958 CA ILE A 127 13.243 10.367 21.797 1.00 0.00 ATOM 959 CB ILE A 127 14.145 10.376 20.550 1.00 0.00 ATOM 960 CG1 ILE A 127 15.566 9.941 20.916 1.00 0.00 ATOM 961 CG2 ILE A 127 14.210 11.771 19.948 1.00 0.00 ATOM 962 CD1 ILE A 127 16.447 9.660 19.718 1.00 0.00 ATOM 963 O ILE A 127 11.600 12.110 21.903 1.00 0.00 ATOM 964 C ILE A 127 11.924 11.031 21.414 1.00 0.00 ATOM 965 N ASN A 128 11.148 10.380 20.558 1.00 0.00 ATOM 966 CA ASN A 128 9.892 10.971 20.126 1.00 0.00 ATOM 967 CB ASN A 128 9.247 10.118 19.032 1.00 0.00 ATOM 968 CG ASN A 128 9.969 10.230 17.704 1.00 0.00 ATOM 969 ND2 ASN A 128 9.772 9.242 16.839 1.00 0.00 ATOM 970 OD1 ASN A 128 10.695 11.193 17.461 1.00 0.00 ATOM 971 O ASN A 128 8.113 12.094 21.267 1.00 0.00 ATOM 972 C ASN A 128 8.865 11.124 21.249 1.00 0.00 ATOM 973 N ASN A 129 8.834 10.182 22.187 1.00 0.00 ATOM 974 CA ASN A 129 7.895 10.288 23.301 1.00 0.00 ATOM 975 CB ASN A 129 7.936 9.020 24.157 1.00 0.00 ATOM 976 CG ASN A 129 7.299 7.830 23.465 1.00 0.00 ATOM 977 ND2 ASN A 129 7.656 6.631 23.910 1.00 0.00 ATOM 978 OD1 ASN A 129 6.499 7.990 22.545 1.00 0.00 ATOM 979 O ASN A 129 7.415 12.217 24.659 1.00 0.00 ATOM 980 C ASN A 129 8.277 11.500 24.149 1.00 0.00 ATOM 981 N MET A 130 9.586 11.718 24.290 1.00 0.00 ATOM 982 CA MET A 130 10.102 12.848 25.056 1.00 0.00 ATOM 983 CB MET A 130 11.621 12.743 25.208 1.00 0.00 ATOM 984 CG MET A 130 12.079 11.580 26.073 1.00 0.00 ATOM 985 SD MET A 130 13.871 11.520 26.266 1.00 0.00 ATOM 986 CE MET A 130 14.063 9.979 27.157 1.00 0.00 ATOM 987 O MET A 130 9.827 15.229 25.031 1.00 0.00 ATOM 988 C MET A 130 9.770 14.167 24.384 1.00 0.00 ATOM 989 N LYS A 131 9.392 14.168 23.116 1.00 0.00 ATOM 990 CA LYS A 131 8.979 15.390 22.451 1.00 0.00 ATOM 991 CB LYS A 131 8.628 15.113 20.988 1.00 0.00 ATOM 992 CG LYS A 131 9.820 14.724 20.127 1.00 0.00 ATOM 993 CD LYS A 131 9.395 14.436 18.696 1.00 0.00 ATOM 994 CE LYS A 131 10.591 14.086 17.826 1.00 0.00 ATOM 995 NZ LYS A 131 10.188 13.772 16.427 1.00 0.00 ATOM 996 O LYS A 131 7.725 17.364 22.866 1.00 0.00 ATOM 997 C LYS A 131 7.790 16.152 23.022 1.00 0.00 ATOM 998 N ASN A 132 6.849 15.468 23.654 1.00 0.00 ATOM 999 CA ASN A 132 5.677 16.160 24.199 1.00 0.00 ATOM 1000 CB ASN A 132 4.442 15.267 24.062 1.00 0.00 ATOM 1001 CG ASN A 132 4.035 15.052 22.618 1.00 0.00 ATOM 1002 ND2 ASN A 132 3.426 13.905 22.340 1.00 0.00 ATOM 1003 OD1 ASN A 132 4.266 15.908 21.765 1.00 0.00 ATOM 1004 O ASN A 132 4.841 17.034 26.265 1.00 0.00 ATOM 1005 C ASN A 132 5.788 16.511 25.676 1.00 0.00 ATOM 1006 N LEU A 133 6.954 16.225 26.264 1.00 0.00 ATOM 1007 CA LEU A 133 7.183 16.520 27.675 1.00 0.00 ATOM 1008 CB LEU A 133 8.059 15.462 28.305 1.00 0.00 ATOM 1009 CG LEU A 133 7.540 13.997 28.290 1.00 0.00 ATOM 1010 CD1 LEU A 133 8.345 13.086 29.209 1.00 0.00 ATOM 1011 CD2 LEU A 133 6.036 13.898 28.585 1.00 0.00 ATOM 1012 O LEU A 133 8.906 18.137 27.220 1.00 0.00 ATOM 1013 C LEU A 133 7.854 17.893 27.802 1.00 0.00 ENDMDL EXPDTA 2h5nA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h5nA ATOM 1 N MET A 1 -20.624 20.932 42.864 1.00 0.00 ATOM 2 CA MET A 1 -19.268 20.556 42.563 1.00 0.00 ATOM 3 CB MET A 1 -18.701 21.266 41.383 1.00 0.00 ATOM 4 CG MET A 1 -18.570 20.422 40.337 1.00 0.00 ATOM 5 SD MET A 1 -20.264 20.380 39.857 1.00 0.00 ATOM 6 CE MET A 1 -20.220 19.025 38.699 1.00 0.00 ATOM 7 O MET A 1 -17.741 21.570 44.029 1.00 0.00 ATOM 8 C MET A 1 -18.187 20.574 43.582 1.00 0.00 ATOM 9 N GLY A 2 -17.702 19.401 43.800 1.00 0.00 ATOM 10 CA GLY A 2 -16.623 19.150 44.772 1.00 0.00 ATOM 11 O GLY A 2 -14.892 18.144 43.428 1.00 0.00 ATOM 12 C GLY A 2 -15.237 19.108 44.133 1.00 0.00 ATOM 13 N LEU A 3 -14.469 20.181 44.319 1.00 0.00 ATOM 14 CA LEU A 3 -13.042 20.205 43.988 1.00 0.00 ATOM 15 CB LEU A 3 -12.734 21.446 43.121 1.00 0.00 ATOM 16 CG LEU A 3 -13.632 21.846 41.939 1.00 0.00 ATOM 17 CD1 LEU A 3 -13.408 23.320 41.512 1.00 0.00 ATOM 18 CD2 LEU A 3 -13.397 20.879 40.786 1.00 0.00 ATOM 19 O LEU A 3 -12.052 21.432 45.765 1.00 0.00 ATOM 20 C LEU A 3 -12.296 20.332 45.319 1.00 0.00 ATOM 21 N GLY A 4 -11.881 19.273 46.002 1.00 0.00 ATOM 22 CA GLY A 4 -11.253 18.090 45.535 1.00 0.00 ATOM 23 O GLY A 4 -9.308 19.478 45.687 1.00 0.00 ATOM 24 C GLY A 4 -9.864 18.449 46.077 1.00 0.00 ATOM 25 N ARG A 5 -9.276 17.660 46.969 1.00 0.00 ATOM 26 CA ARG A 5 -7.866 17.939 47.296 1.00 0.00 ATOM 27 CB ARG A 5 -7.314 17.064 48.415 1.00 0.00 ATOM 28 CG ARG A 5 -6.838 17.895 49.638 1.00 0.00 ATOM 29 CD ARG A 5 -5.575 18.783 49.319 1.00 0.00 ATOM 30 NE ARG A 5 -5.081 19.516 50.489 1.00 0.00 ATOM 31 CZ ARG A 5 -5.638 20.621 50.982 1.00 0.00 ATOM 32 NH1 ARG A 5 -5.109 21.202 52.051 1.00 0.00 ATOM 33 NH2 ARG A 5 -6.727 21.147 50.417 1.00 0.00 ATOM 34 O ARG A 5 -7.154 16.967 45.217 1.00 0.00 ATOM 35 C ARG A 5 -6.966 17.837 46.065 1.00 0.00 ATOM 36 N GLN A 6 -6.038 18.784 45.957 1.00 0.00 ATOM 37 CA GLN A 6 -5.057 18.787 44.906 1.00 0.00 ATOM 38 CB GLN A 6 -4.651 20.210 44.545 1.00 0.00 ATOM 39 CG GLN A 6 -5.561 20.848 43.536 1.00 0.00 ATOM 40 CD GLN A 6 -5.112 22.211 43.128 1.00 0.00 ATOM 41 OE1 GLN A 6 -5.263 23.173 43.895 1.00 0.00 ATOM 42 NE2 GLN A 6 -4.587 22.331 41.894 1.00 0.00 ATOM 43 O GLN A 6 -3.468 18.078 46.560 1.00 0.00 ATOM 44 C GLN A 6 -3.851 18.010 45.384 1.00 0.00 ATOM 45 N SER A 7 -3.265 17.277 44.444 1.00 0.00 ATOM 46 CA SER A 7 -2.069 16.497 44.666 1.00 0.00 ATOM 47 CB SER A 7 -2.389 15.004 44.457 1.00 0.00 ATOM 48 OG SER A 7 -1.269 14.281 43.990 1.00 0.00 ATOM 49 O SER A 7 -1.406 17.168 42.465 1.00 0.00 ATOM 50 C SER A 7 -1.080 17.046 43.644 1.00 0.00 ATOM 51 N LEU A 8 0.097 17.463 44.102 1.00 0.00 ATOM 52 CA LEU A 8 1.173 17.921 43.204 1.00 0.00 ATOM 53 CB LEU A 8 1.675 19.303 43.578 1.00 0.00 ATOM 54 CG LEU A 8 1.119 20.640 43.110 1.00 0.00 ATOM 55 CD1 LEU A 8 0.213 21.264 44.167 1.00 0.00 ATOM 56 CD2 LEU A 8 2.301 21.584 42.869 1.00 0.00 ATOM 57 O LEU A 8 2.679 16.540 44.446 1.00 0.00 ATOM 58 C LEU A 8 2.354 16.990 43.339 1.00 0.00 ATOM 59 N ASN A 9 2.984 16.693 42.215 1.00 0.00 ATOM 60 CA ASN A 9 4.270 16.041 42.203 1.00 0.00 ATOM 61 CB ASN A 9 4.106 14.601 41.753 1.00 0.00 ATOM 62 CG ASN A 9 3.135 13.875 42.602 1.00 0.00 ATOM 63 ND2 ASN A 9 1.931 13.608 42.066 1.00 0.00 ATOM 64 OD1 ASN A 9 3.428 13.601 43.762 1.00 0.00 ATOM 65 O ASN A 9 4.720 17.405 40.313 1.00 0.00 ATOM 66 C ASN A 9 5.180 16.753 41.256 1.00 0.00 ATOM 67 N ILE A 10 6.472 16.633 41.515 1.00 0.00 ATOM 68 CA ILE A 10 7.469 17.160 40.602 1.00 0.00 ATOM 69 CB ILE A 10 8.038 18.540 41.075 1.00 0.00 ATOM 70 CG1 ILE A 10 9.058 19.067 40.067 1.00 0.00 ATOM 71 CG2 ILE A 10 8.627 18.446 42.475 1.00 0.00 ATOM 72 CD1 ILE A 10 9.109 20.600 39.924 1.00 0.00 ATOM 73 O ILE A 10 8.876 15.390 41.355 1.00 0.00 ATOM 74 C ILE A 10 8.513 16.086 40.406 1.00 0.00 ATOM 75 N MET A 11 8.947 15.891 39.173 1.00 0.00 ATOM 76 CA MET A 11 9.959 14.858 38.908 1.00 0.00 ATOM 77 CB MET A 11 9.798 14.295 37.487 1.00 0.00 ATOM 78 CG MET A 11 10.787 13.199 37.125 1.00 0.00 ATOM 79 SD MET A 11 10.495 12.503 35.476 1.00 0.00 ATOM 80 CE MET A 11 9.116 11.544 36.026 1.00 0.00 ATOM 81 O MET A 11 11.580 16.554 38.471 1.00 0.00 ATOM 82 C MET A 11 11.299 15.541 39.109 1.00 0.00 ATOM 83 N THR A 12 12.091 15.074 40.061 1.00 0.00 ATOM 84 CA THR A 12 13.359 15.758 40.368 1.00 0.00 ATOM 85 CB THR A 12 13.437 16.250 41.844 1.00 0.00 ATOM 86 CG2 THR A 12 12.411 17.320 42.114 1.00 0.00 ATOM 87 OG1 THR A 12 13.228 15.139 42.737 1.00 0.00 ATOM 88 O THR A 12 14.519 13.665 40.200 1.00 0.00 ATOM 89 C THR A 12 14.578 14.894 40.076 1.00 0.00 ATOM 90 N PHE A 13 15.684 15.538 39.699 1.00 0.00 ATOM 91 CA PHE A 13 16.953 14.837 39.479 1.00 0.00 ATOM 92 CB PHE A 13 17.228 14.664 37.973 1.00 0.00 ATOM 93 CG PHE A 13 16.165 13.898 37.248 1.00 0.00 ATOM 94 CD1 PHE A 13 16.285 12.518 37.056 1.00 0.00 ATOM 95 CD2 PHE A 13 15.036 14.542 36.761 1.00 0.00 ATOM 96 CE1 PHE A 13 15.306 11.804 36.374 1.00 0.00 ATOM 97 CE2 PHE A 13 14.041 13.832 36.098 1.00 0.00 ATOM 98 CZ PHE A 13 14.178 12.456 35.891 1.00 0.00 ATOM 99 O PHE A 13 18.264 16.786 39.887 1.00 0.00 ATOM 100 C PHE A 13 18.112 15.584 40.099 1.00 0.00 ATOM 101 N SER A 14 18.936 14.869 40.867 1.00 0.00 ATOM 102 CA SER A 14 20.197 15.438 41.391 1.00 0.00 ATOM 103 CB SER A 14 20.846 14.482 42.380 1.00 0.00 ATOM 104 OG SER A 14 21.455 13.395 41.699 1.00 0.00 ATOM 105 O SER A 14 20.949 15.253 39.141 1.00 0.00 ATOM 106 C SER A 14 21.141 15.766 40.239 1.00 0.00 ATOM 107 N GLY A 15 22.102 16.665 40.478 1.00 0.00 ATOM 108 CA GLY A 15 23.198 16.910 39.560 1.00 0.00 ATOM 109 O GLY A 15 24.274 15.555 37.908 1.00 0.00 ATOM 110 C GLY A 15 23.931 15.660 39.088 1.00 0.00 ATOM 111 N GLN A 16 24.205 14.704 39.976 1.00 0.00 ATOM 112 CA GLN A 16 24.926 13.504 39.510 1.00 0.00 ATOM 113 CB GLN A 16 25.815 12.839 40.602 1.00 0.00 ATOM 114 CG GLN A 16 25.111 12.115 41.746 1.00 0.00 ATOM 115 CD GLN A 16 26.038 11.759 42.933 1.00 0.00 ATOM 116 OE1 GLN A 16 27.125 11.175 42.767 1.00 0.00 ATOM 117 NE2 GLN A 16 25.599 12.104 44.131 1.00 0.00 ATOM 118 O GLN A 16 24.480 11.829 37.855 1.00 0.00 ATOM 119 C GLN A 16 24.010 12.537 38.732 1.00 0.00 ATOM 120 N GLU A 17 22.705 12.551 39.016 1.00 0.00 ATOM 121 CA GLU A 17 21.743 11.799 38.189 1.00 0.00 ATOM 122 CB GLU A 17 20.354 11.743 38.824 1.00 0.00 ATOM 123 CG GLU A 17 20.242 10.692 39.948 1.00 0.00 ATOM 124 CD GLU A 17 18.989 10.880 40.829 1.00 0.00 ATOM 125 OE1 GLU A 17 18.416 12.012 40.858 1.00 0.00 ATOM 126 OE2 GLU A 17 18.587 9.908 41.517 1.00 0.00 ATOM 127 O GLU A 17 21.656 11.620 35.825 1.00 0.00 ATOM 128 C GLU A 17 21.639 12.376 36.786 1.00 0.00 ATOM 129 N LEU A 18 21.570 13.706 36.667 1.00 0.00 ATOM 130 CA LEU A 18 21.569 14.365 35.379 1.00 0.00 ATOM 131 CB LEU A 18 21.416 15.885 35.578 1.00 0.00 ATOM 132 CG LEU A 18 20.021 16.384 36.023 1.00 0.00 ATOM 133 CD1 LEU A 18 20.073 17.913 36.302 1.00 0.00 ATOM 134 CD2 LEU A 18 18.950 16.117 34.970 1.00 0.00 ATOM 135 O LEU A 18 22.760 13.841 33.370 1.00 0.00 ATOM 136 C LEU A 18 22.832 14.079 34.568 1.00 0.00 ATOM 137 N THR A 19 23.996 14.133 35.229 1.00 0.00 ATOM 138 CA THR A 19 25.268 13.787 34.613 1.00 0.00 ATOM 139 CB THR A 19 26.410 13.984 35.658 1.00 0.00 ATOM 140 CG2 THR A 19 27.745 13.713 35.047 1.00 0.00 ATOM 141 OG1 THR A 19 26.386 15.353 36.135 1.00 0.00 ATOM 142 O THR A 19 25.705 12.009 33.025 1.00 0.00 ATOM 143 C THR A 19 25.214 12.328 34.113 1.00 0.00 ATOM 144 N ALA A 20 24.635 11.448 34.926 1.00 0.00 ATOM 145 CA ALA A 20 24.475 10.030 34.567 1.00 0.00 ATOM 146 CB ALA A 20 23.919 9.232 35.769 1.00 0.00 ATOM 147 O ALA A 20 23.952 8.967 32.467 1.00 0.00 ATOM 148 C ALA A 20 23.615 9.803 33.331 1.00 0.00 ATOM 149 N ILE A 21 22.481 10.514 33.270 1.00 0.00 ATOM 150 CA ILE A 21 21.586 10.463 32.121 1.00 0.00 ATOM 151 CB ILE A 21 20.344 11.386 32.340 1.00 0.00 ATOM 152 CG1 ILE A 21 19.463 10.784 33.471 1.00 0.00 ATOM 153 CG2 ILE A 21 19.547 11.607 30.999 1.00 0.00 ATOM 154 CD1 ILE A 21 18.390 11.713 33.993 1.00 0.00 ATOM 155 O ILE A 21 22.294 10.071 29.838 1.00 0.00 ATOM 156 C ILE A 21 22.309 10.831 30.825 1.00 0.00 ATOM 157 N ILE A 22 22.983 11.965 30.848 1.00 0.00 ATOM 158 CA ILE A 22 23.712 12.427 29.677 1.00 0.00 ATOM 159 CB ILE A 22 24.016 13.982 29.726 1.00 0.00 ATOM 160 CG1 ILE A 22 24.274 14.492 28.318 1.00 0.00 ATOM 161 CG2 ILE A 22 25.215 14.344 30.594 1.00 0.00 ATOM 162 CD1 ILE A 22 23.034 14.469 27.409 1.00 0.00 ATOM 163 O ILE A 22 25.150 11.308 28.099 1.00 0.00 ATOM 164 C ILE A 22 24.912 11.512 29.284 1.00 0.00 ATOM 165 N LYS A 23 25.585 10.906 30.266 1.00 0.00 ATOM 166 CA LYS A 23 26.644 9.898 30.035 1.00 0.00 ATOM 167 CB LYS A 23 27.325 9.571 31.386 1.00 0.00 ATOM 168 CG LYS A 23 28.529 8.600 31.396 1.00 0.00 ATOM 169 CD LYS A 23 29.700 9.161 30.565 1.00 0.00 ATOM 170 CE LYS A 23 31.073 8.571 30.919 1.00 0.00 ATOM 171 NZ LYS A 23 32.216 9.590 30.815 1.00 0.00 ATOM 172 O LYS A 23 26.718 8.009 28.478 1.00 0.00 ATOM 173 C LYS A 23 26.082 8.610 29.361 1.00 0.00 ATOM 174 N MET A 24 24.880 8.214 29.746 1.00 0.00 ATOM 175 CA MET A 24 24.232 7.068 29.094 1.00 0.00 ATOM 176 CB MET A 24 23.013 6.573 29.899 1.00 0.00 ATOM 177 CG MET A 24 23.403 5.962 31.302 1.00 0.00 ATOM 178 SD MET A 24 24.410 4.445 31.186 1.00 0.00 ATOM 179 CE MET A 24 26.076 5.157 31.198 1.00 0.00 ATOM 180 O MET A 24 24.123 6.538 26.757 1.00 0.00 ATOM 181 C MET A 24 23.900 7.368 27.631 1.00 0.00 ATOM 182 N ALA A 25 23.446 8.587 27.378 1.00 0.00 ATOM 183 CA ALA A 25 23.077 9.068 26.052 1.00 0.00 ATOM 184 CB ALA A 25 22.357 10.414 26.168 1.00 0.00 ATOM 185 O ALA A 25 24.209 8.764 23.969 1.00 0.00 ATOM 186 C ALA A 25 24.274 9.184 25.132 1.00 0.00 ATOM 187 N LYS A 26 25.358 9.768 25.637 1.00 0.00 ATOM 188 CA LYS A 26 26.650 9.731 24.946 1.00 0.00 ATOM 189 CB LYS A 26 27.681 10.459 25.773 1.00 0.00 ATOM 190 CG LYS A 26 27.708 11.992 25.547 1.00 0.00 ATOM 191 CD LYS A 26 28.732 12.626 26.495 1.00 0.00 ATOM 192 CE LYS A 26 28.775 14.102 26.322 1.00 0.00 ATOM 193 NZ LYS A 26 29.991 14.769 26.937 1.00 0.00 ATOM 194 O LYS A 26 27.601 8.037 23.464 1.00 0.00 ATOM 195 C LYS A 26 27.149 8.305 24.589 1.00 0.00 ATOM 196 N SER A 27 27.115 7.412 25.558 1.00 0.00 ATOM 197 CA SER A 27 27.622 6.070 25.366 1.00 0.00 ATOM 198 CB SER A 27 27.555 5.273 26.676 1.00 0.00 ATOM 199 OG SER A 27 28.161 5.982 27.754 1.00 0.00 ATOM 200 O SER A 27 27.379 4.729 23.405 1.00 0.00 ATOM 201 C SER A 27 26.815 5.383 24.278 1.00 0.00 ATOM 202 N MET A 28 25.488 5.515 24.337 1.00 0.00 ATOM 203 CA MET A 28 24.600 4.886 23.340 1.00 0.00 ATOM 204 CB MET A 28 23.125 5.059 23.723 1.00 0.00 ATOM 205 CG MET A 28 22.063 4.434 22.785 1.00 0.00 ATOM 206 SD MET A 28 20.345 4.718 23.272 1.00 0.00 ATOM 207 CE MET A 28 20.255 6.492 22.980 1.00 0.00 ATOM 208 O MET A 28 25.107 4.539 21.028 1.00 0.00 ATOM 209 C MET A 28 24.901 5.379 21.917 1.00 0.00 ATOM 210 N VAL A 29 24.987 6.709 21.728 1.00 0.00 ATOM 211 CA VAL A 29 25.223 7.312 20.397 1.00 0.00 ATOM 212 CB VAL A 29 24.812 8.874 20.272 1.00 0.00 ATOM 213 CG1 VAL A 29 23.335 9.101 20.543 1.00 0.00 ATOM 214 CG2 VAL A 29 25.624 9.763 21.159 1.00 0.00 ATOM 215 O VAL A 29 26.862 7.155 18.651 1.00 0.00 ATOM 216 C VAL A 29 26.656 7.137 19.863 1.00 0.00 ATOM 217 N MET A 30 27.647 7.002 20.741 1.00 0.00 ATOM 218 CA MET A 30 29.018 6.711 20.278 1.00 0.00 ATOM 219 CB MET A 30 30.075 7.085 21.315 1.00 0.00 ATOM 220 CG MET A 30 29.947 8.503 21.866 1.00 0.00 ATOM 221 SD MET A 30 31.420 9.154 22.695 1.00 0.00 ATOM 222 CE MET A 30 32.302 9.489 21.152 1.00 0.00 ATOM 223 O MET A 30 30.195 4.885 19.296 1.00 0.00 ATOM 224 C MET A 30 29.201 5.242 19.931 1.00 0.00 ATOM 225 N ALA A 31 28.273 4.375 20.327 1.00 0.00 ATOM 226 CA ALA A 31 28.556 2.936 20.229 1.00 0.00 ATOM 227 CB ALA A 31 27.396 2.085 20.726 1.00 0.00 ATOM 228 O ALA A 31 29.950 1.731 18.704 1.00 0.00 ATOM 229 C ALA A 31 29.001 2.488 18.840 1.00 0.00 ATOM 230 N ASP A 32 28.332 2.974 17.805 1.00 0.00 ATOM 231 CA ASP A 32 28.687 2.563 16.451 1.00 0.00 ATOM 232 CB ASP A 32 27.441 2.527 15.574 1.00 0.00 ATOM 233 CG ASP A 32 27.011 3.887 15.104 1.00 0.00 ATOM 234 OD1 ASP A 32 27.386 4.933 15.699 1.00 0.00 ATOM 235 OD2 ASP A 32 26.270 3.905 14.107 1.00 0.00 ATOM 236 O ASP A 32 30.166 3.148 14.658 1.00 0.00 ATOM 237 C ASP A 32 29.841 3.353 15.818 1.00 0.00 ATOM 238 N GLY A 33 30.439 4.259 16.597 1.00 0.00 ATOM 239 CA GLY A 33 31.681 4.936 16.231 1.00 0.00 ATOM 240 O GLY A 33 32.495 6.554 14.642 1.00 0.00 ATOM 241 C GLY A 33 31.508 6.031 15.195 1.00 0.00 ATOM 242 N LYS A 34 30.254 6.376 14.927 1.00 0.00 ATOM 243 CA LYS A 34 29.919 7.378 13.919 1.00 0.00 ATOM 244 CB LYS A 34 29.017 6.751 12.852 1.00 0.00 ATOM 245 CG LYS A 34 29.786 5.837 11.897 1.00 0.00 ATOM 246 CD LYS A 34 28.936 4.695 11.365 1.00 0.00 ATOM 247 CE LYS A 34 28.093 5.126 10.196 1.00 0.00 ATOM 248 NZ LYS A 34 27.157 4.054 9.787 1.00 0.00 ATOM 249 O LYS A 34 28.477 8.406 15.503 1.00 0.00 ATOM 250 C LYS A 34 29.228 8.564 14.544 1.00 0.00 ATOM 251 N ILE A 35 29.448 9.764 14.019 1.00 0.00 ATOM 252 CA ILE A 35 28.664 10.897 14.535 1.00 0.00 ATOM 253 CB ILE A 35 29.534 12.103 14.962 1.00 0.00 ATOM 254 CG1 ILE A 35 30.518 12.505 13.874 1.00 0.00 ATOM 255 CG2 ILE A 35 30.263 11.761 16.269 1.00 0.00 ATOM 256 CD1 ILE A 35 30.991 13.982 13.956 1.00 0.00 ATOM 257 O ILE A 35 27.764 11.615 12.434 1.00 0.00 ATOM 258 C ILE A 35 27.533 11.327 13.602 1.00 0.00 ATOM 259 N LYS A 36 26.312 11.318 14.130 1.00 0.00 ATOM 260 CA LYS A 36 25.125 11.860 13.458 1.00 0.00 ATOM 261 CB LYS A 36 23.999 10.819 13.414 1.00 0.00 ATOM 262 CG LYS A 36 24.319 9.525 12.592 1.00 0.00 ATOM 263 CD LYS A 36 23.153 8.504 12.559 1.00 0.00 ATOM 264 CE LYS A 36 22.118 8.811 11.455 1.00 0.00 ATOM 265 NZ LYS A 36 20.883 7.972 11.519 1.00 0.00 ATOM 266 O LYS A 36 24.000 13.034 15.244 1.00 0.00 ATOM 267 C LYS A 36 24.671 13.125 14.203 1.00 0.00 ATOM 268 N PRO A 37 25.057 14.317 13.696 1.00 0.00 ATOM 269 CA PRO A 37 24.723 15.618 14.304 1.00 0.00 ATOM 270 CB PRO A 37 25.088 16.617 13.210 1.00 0.00 ATOM 271 CG PRO A 37 26.179 15.976 12.498 1.00 0.00 ATOM 272 CD PRO A 37 25.882 14.486 12.489 1.00 0.00 ATOM 273 O PRO A 37 22.964 16.418 15.713 1.00 0.00 ATOM 274 C PRO A 37 23.246 15.783 14.697 1.00 0.00 ATOM 275 N ALA A 38 22.328 15.203 13.919 1.00 0.00 ATOM 276 CA ALA A 38 20.897 15.188 14.258 1.00 0.00 ATOM 277 CB ALA A 38 20.075 14.628 13.093 1.00 0.00 ATOM 278 O ALA A 38 19.704 14.952 16.327 1.00 0.00 ATOM 279 C ALA A 38 20.531 14.464 15.560 1.00 0.00 ATOM 280 N GLU A 39 21.111 13.292 15.786 1.00 0.00 ATOM 281 CA GLU A 39 20.924 12.550 17.054 1.00 0.00 ATOM 282 CB GLU A 39 21.674 11.227 16.992 1.00 0.00 ATOM 283 CG GLU A 39 20.950 10.102 16.239 1.00 0.00 ATOM 284 CD GLU A 39 21.731 8.782 16.230 1.00 0.00 ATOM 285 OE1 GLU A 39 22.862 8.674 16.809 1.00 0.00 ATOM 286 OE2 GLU A 39 21.206 7.829 15.613 1.00 0.00 ATOM 287 O GLU A 39 20.812 13.348 19.346 1.00 0.00 ATOM 288 C GLU A 39 21.435 13.348 18.278 1.00 0.00 ATOM 289 N ILE A 40 22.593 13.983 18.110 1.00 0.00 ATOM 290 CA ILE A 40 23.218 14.833 19.143 1.00 0.00 ATOM 291 CB ILE A 40 24.662 15.260 18.747 1.00 0.00 ATOM 292 CG1 ILE A 40 25.511 14.047 18.312 1.00 0.00 ATOM 293 CG2 ILE A 40 25.325 16.086 19.883 1.00 0.00 ATOM 294 CD1 ILE A 40 25.538 12.903 19.330 1.00 0.00 ATOM 295 O ILE A 40 22.254 16.423 20.695 1.00 0.00 ATOM 296 C ILE A 40 22.361 16.066 19.520 1.00 0.00 ATOM 297 N ALA A 41 21.757 16.698 18.526 1.00 0.00 ATOM 298 CA ALA A 41 20.851 17.820 18.763 1.00 0.00 ATOM 299 CB ALA A 41 20.497 18.480 17.429 1.00 0.00 ATOM 300 O ALA A 41 19.123 18.167 20.424 1.00 0.00 ATOM 301 C ALA A 41 19.567 17.428 19.533 1.00 0.00 ATOM 302 N VAL A 42 18.960 16.292 19.175 1.00 0.00 ATOM 303 CA VAL A 42 17.793 15.752 19.909 1.00 0.00 ATOM 304 CB VAL A 42 17.223 14.465 19.261 1.00 0.00 ATOM 305 CG1 VAL A 42 16.030 13.905 20.066 1.00 0.00 ATOM 306 CG2 VAL A 42 16.767 14.751 17.834 1.00 0.00 ATOM 307 O VAL A 42 17.506 15.789 22.295 1.00 0.00 ATOM 308 C VAL A 42 18.220 15.445 21.333 1.00 0.00 ATOM 309 N MET A 43 19.416 14.850 21.462 1.00 0.00 ATOM 310 CA MET A 43 19.999 14.557 22.786 1.00 0.00 ATOM 311 CB MET A 43 21.399 13.913 22.640 1.00 0.00 ATOM 312 CG MET A 43 22.084 13.371 23.954 1.00 0.00 ATOM 313 SD MET A 43 23.807 12.876 23.715 1.00 0.00 ATOM 314 CE MET A 43 24.557 14.473 23.801 1.00 0.00 ATOM 315 O MET A 43 19.540 15.845 24.794 1.00 0.00 ATOM 316 C MET A 43 20.038 15.832 23.661 1.00 0.00 ATOM 317 N THR A 44 20.628 16.907 23.154 1.00 0.00 ATOM 318 CA THR A 44 20.720 18.078 24.004 1.00 0.00 ATOM 319 CB THR A 44 21.806 19.036 23.532 1.00 0.00 ATOM 320 CG2 THR A 44 23.218 18.403 23.751 1.00 0.00 ATOM 321 OG1 THR A 44 21.619 19.291 22.146 1.00 0.00 ATOM 322 O THR A 44 19.069 19.273 25.232 1.00 0.00 ATOM 323 C THR A 44 19.369 18.795 24.162 1.00 0.00 ATOM 324 N ARG A 45 18.567 18.869 23.102 1.00 0.00 ATOM 325 CA ARG A 45 17.260 19.567 23.170 1.00 0.00 ATOM 326 CB ARG A 45 16.600 19.627 21.795 1.00 0.00 ATOM 327 CG ARG A 45 15.328 20.444 21.731 1.00 0.00 ATOM 328 CD ARG A 45 14.782 20.433 20.308 1.00 0.00 ATOM 329 NE ARG A 45 14.198 19.133 19.950 1.00 0.00 ATOM 330 CZ ARG A 45 14.620 18.329 18.963 1.00 0.00 ATOM 331 NH1 ARG A 45 15.657 18.666 18.182 1.00 0.00 ATOM 332 NH2 ARG A 45 13.989 17.173 18.753 1.00 0.00 ATOM 333 O ARG A 45 15.820 19.497 25.093 1.00 0.00 ATOM 334 C ARG A 45 16.348 18.863 24.190 1.00 0.00 ATOM 335 N GLU A 46 16.224 17.539 24.080 1.00 0.00 ATOM 336 CA GLU A 46 15.342 16.793 24.963 1.00 0.00 ATOM 337 CB GLU A 46 15.000 15.427 24.351 1.00 0.00 ATOM 338 CG GLU A 46 14.258 15.539 22.999 1.00 0.00 ATOM 339 CD GLU A 46 12.893 16.225 23.131 1.00 0.00 ATOM 340 OE1 GLU A 46 12.129 15.828 24.016 1.00 0.00 ATOM 341 OE2 GLU A 46 12.591 17.156 22.359 1.00 0.00 ATOM 342 O GLU A 46 15.019 16.436 27.302 1.00 0.00 ATOM 343 C GLU A 46 15.831 16.655 26.405 1.00 0.00 ATOM 344 N PHE A 47 17.149 16.786 26.626 1.00 0.00 ATOM 345 CA PHE A 47 17.741 16.823 27.975 1.00 0.00 ATOM 346 CB PHE A 47 19.271 16.960 27.892 1.00 0.00 ATOM 347 CG PHE A 47 19.986 16.764 29.198 1.00 0.00 ATOM 348 CD1 PHE A 47 19.699 15.670 30.026 1.00 0.00 ATOM 349 CD2 PHE A 47 21.014 17.627 29.575 1.00 0.00 ATOM 350 CE1 PHE A 47 20.386 15.470 31.226 1.00 0.00 ATOM 351 CE2 PHE A 47 21.734 17.417 30.788 1.00 0.00 ATOM 352 CZ PHE A 47 21.411 16.335 31.607 1.00 0.00 ATOM 353 O PHE A 47 16.987 17.822 30.047 1.00 0.00 ATOM 354 C PHE A 47 17.141 17.960 28.835 1.00 0.00 ATOM 355 N MET A 48 16.803 19.074 28.197 1.00 0.00 ATOM 356 CA MET A 48 16.164 20.170 28.888 1.00 0.00 ATOM 357 CB MET A 48 15.925 21.279 27.899 1.00 0.00 ATOM 358 CG MET A 48 17.166 21.552 27.130 1.00 0.00 ATOM 359 SD MET A 48 17.741 23.088 27.743 1.00 0.00 ATOM 360 CE MET A 48 16.795 24.093 26.608 1.00 0.00 ATOM 361 O MET A 48 14.452 20.332 30.568 1.00 0.00 ATOM 362 C MET A 48 14.837 19.761 29.542 1.00 0.00 ATOM 363 N ARG A 49 14.161 18.757 28.981 1.00 0.00 ATOM 364 CA ARG A 49 12.875 18.320 29.538 1.00 0.00 ATOM 365 CB ARG A 49 12.198 17.300 28.645 1.00 0.00 ATOM 366 CG ARG A 49 11.847 17.842 27.287 1.00 0.00 ATOM 367 CD ARG A 49 10.397 17.867 27.123 1.00 0.00 ATOM 368 NE ARG A 49 10.036 18.389 25.816 1.00 0.00 ATOM 369 CZ ARG A 49 8.801 18.733 25.478 1.00 0.00 ATOM 370 NH1 ARG A 49 8.566 19.204 24.261 1.00 0.00 ATOM 371 NH2 ARG A 49 7.806 18.612 26.356 1.00 0.00 ATOM 372 O ARG A 49 12.081 17.526 31.636 1.00 0.00 ATOM 373 C ARG A 49 13.054 17.742 30.925 1.00 0.00 ATOM 374 N PHE A 50 14.306 17.522 31.306 1.00 0.00 ATOM 375 CA PHE A 50 14.657 17.009 32.645 1.00 0.00 ATOM 376 CB PHE A 50 15.959 16.220 32.600 1.00 0.00 ATOM 377 CG PHE A 50 15.792 14.843 32.027 1.00 0.00 ATOM 378 CD1 PHE A 50 15.382 13.795 32.830 1.00 0.00 ATOM 379 CD2 PHE A 50 16.026 14.601 30.679 1.00 0.00 ATOM 380 CE1 PHE A 50 15.241 12.506 32.308 1.00 0.00 ATOM 381 CE2 PHE A 50 15.872 13.335 30.139 1.00 0.00 ATOM 382 CZ PHE A 50 15.470 12.281 30.947 1.00 0.00 ATOM 383 O PHE A 50 14.958 17.780 34.896 1.00 0.00 ATOM 384 C PHE A 50 14.702 18.082 33.721 1.00 0.00 ATOM 385 N GLY A 51 14.492 19.327 33.299 1.00 0.00 ATOM 386 CA GLY A 51 14.199 20.416 34.200 1.00 0.00 ATOM 387 O GLY A 51 15.436 21.896 35.584 1.00 0.00 ATOM 388 C GLY A 51 15.339 21.345 34.491 1.00 0.00 ATOM 389 N ILE A 52 16.215 21.521 33.516 1.00 0.00 ATOM 390 CA ILE A 52 17.339 22.458 33.669 1.00 0.00 ATOM 391 CB ILE A 52 18.719 21.802 33.449 1.00 0.00 ATOM 392 CG1 ILE A 52 18.839 21.231 32.021 1.00 0.00 ATOM 393 CG2 ILE A 52 19.029 20.841 34.566 1.00 0.00 ATOM 394 CD1 ILE A 52 18.614 19.713 31.918 1.00 0.00 ATOM 395 O ILE A 52 16.570 23.522 31.666 1.00 0.00 ATOM 396 C ILE A 52 17.227 23.631 32.702 1.00 0.00 ATOM 397 N LEU A 53 17.916 24.718 33.039 1.00 0.00 ATOM 398 CA LEU A 53 18.070 25.871 32.154 1.00 0.00 ATOM 399 CB LEU A 53 18.283 27.134 32.986 1.00 0.00 ATOM 400 CG LEU A 53 17.059 28.013 33.256 1.00 0.00 ATOM 401 CD1 LEU A 53 17.215 29.400 32.588 1.00 0.00 ATOM 402 CD2 LEU A 53 15.724 27.339 32.851 1.00 0.00 ATOM 403 O LEU A 53 20.200 24.994 31.434 1.00 0.00 ATOM 404 C LEU A 53 19.205 25.668 31.137 1.00 0.00 ATOM 405 N GLN A 54 19.041 26.255 29.947 1.00 0.00 ATOM 406 CA GLN A 54 19.899 25.982 28.796 1.00 0.00 ATOM 407 CB GLN A 54 19.472 26.841 27.607 1.00 0.00 ATOM 408 CG GLN A 54 19.838 26.318 26.213 1.00 0.00 ATOM 409 CD GLN A 54 18.943 26.944 25.136 1.00 0.00 ATOM 410 OE1 GLN A 54 17.722 27.031 25.314 1.00 0.00 ATOM 411 NE2 GLN A 54 19.546 27.407 24.027 1.00 0.00 ATOM 412 O GLN A 54 22.227 25.437 28.672 1.00 0.00 ATOM 413 C GLN A 54 21.374 26.194 29.123 1.00 0.00 ATOM 414 N ASP A 55 21.646 27.201 29.946 1.00 0.00 ATOM 415 CA ASP A 55 23.001 27.600 30.340 1.00 0.00 ATOM 416 CB ASP A 55 22.993 29.055 30.814 1.00 0.00 ATOM 417 CG ASP A 55 21.913 29.324 31.841 1.00 0.00 ATOM 418 OD1 ASP A 55 22.024 28.812 32.986 1.00 0.00 ATOM 419 OD2 ASP A 55 20.936 30.033 31.503 1.00 0.00 ATOM 420 O ASP A 55 24.782 26.976 31.801 1.00 0.00 ATOM 421 C ASP A 55 23.640 26.727 31.417 1.00 0.00 ATOM 422 N GLN A 56 22.900 25.740 31.912 1.00 0.00 ATOM 423 CA GLN A 56 23.434 24.716 32.813 1.00 0.00 ATOM 424 CB GLN A 56 22.391 24.293 33.864 1.00 0.00 ATOM 425 CG GLN A 56 21.984 25.406 34.851 1.00 0.00 ATOM 426 CD GLN A 56 20.864 24.972 35.822 1.00 0.00 ATOM 427 OE1 GLN A 56 19.761 24.597 35.398 1.00 0.00 ATOM 428 NE2 GLN A 56 21.144 25.049 37.135 1.00 0.00 ATOM 429 O GLN A 56 24.559 22.634 32.554 1.00 0.00 ATOM 430 C GLN A 56 23.829 23.475 32.042 1.00 0.00 ATOM 431 N VAL A 57 23.326 23.358 30.812 1.00 0.00 ATOM 432 CA VAL A 57 23.520 22.150 30.011 1.00 0.00 ATOM 433 CB VAL A 57 22.649 22.169 28.701 1.00 0.00 ATOM 434 CG1 VAL A 57 23.173 21.184 27.651 1.00 0.00 ATOM 435 CG2 VAL A 57 21.176 21.865 29.037 1.00 0.00 ATOM 436 O VAL A 57 25.521 20.829 29.940 1.00 0.00 ATOM 437 C VAL A 57 25.009 21.928 29.748 1.00 0.00 ATOM 438 N ASP A 58 25.719 22.984 29.364 1.00 0.00 ATOM 439 CA ASP A 58 27.114 22.815 28.942 1.00 0.00 ATOM 440 CB ASP A 58 27.678 24.087 28.275 1.00 0.00 ATOM 441 CG ASP A 58 27.334 24.179 26.763 1.00 0.00 ATOM 442 OD1 ASP A 58 27.281 23.139 26.051 1.00 0.00 ATOM 443 OD2 ASP A 58 27.151 25.317 26.268 1.00 0.00 ATOM 444 O ASP A 58 28.798 21.345 29.853 1.00 0.00 ATOM 445 C ASP A 58 27.991 22.249 30.083 1.00 0.00 ATOM 446 N LEU A 59 27.779 22.717 31.308 1.00 0.00 ATOM 447 CA LEU A 59 28.594 22.251 32.448 1.00 0.00 ATOM 448 CB LEU A 59 28.534 23.251 33.605 1.00 0.00 ATOM 449 CG LEU A 59 29.262 24.585 33.476 1.00 0.00 ATOM 450 CD1 LEU A 59 28.989 25.388 34.742 1.00 0.00 ATOM 451 CD2 LEU A 59 30.790 24.454 33.225 1.00 0.00 ATOM 452 O LEU A 59 29.069 20.166 33.581 1.00 0.00 ATOM 453 C LEU A 59 28.235 20.856 32.964 1.00 0.00 ATOM 454 N LEU A 60 26.984 20.459 32.753 1.00 0.00 ATOM 455 CA LEU A 60 26.559 19.096 33.094 1.00 0.00 ATOM 456 CB LEU A 60 25.037 18.954 33.055 1.00 0.00 ATOM 457 CG LEU A 60 24.294 19.434 34.291 1.00 0.00 ATOM 458 CD1 LEU A 60 22.825 19.492 33.971 1.00 0.00 ATOM 459 CD2 LEU A 60 24.586 18.505 35.454 1.00 0.00 ATOM 460 O LEU A 60 27.565 17.031 32.495 1.00 0.00 ATOM 461 C LEU A 60 27.179 18.132 32.126 1.00 0.00 ATOM 462 N LEU A 61 27.269 18.566 30.881 1.00 0.00 ATOM 463 CA LEU A 61 27.869 17.767 29.804 1.00 0.00 ATOM 464 CB LEU A 61 27.646 18.454 28.456 1.00 0.00 ATOM 465 CG LEU A 61 26.437 17.952 27.687 1.00 0.00 ATOM 466 CD1 LEU A 61 26.025 18.914 26.580 1.00 0.00 ATOM 467 CD2 LEU A 61 26.834 16.622 27.088 1.00 0.00 ATOM 468 O LEU A 61 29.924 16.517 29.751 1.00 0.00 ATOM 469 C LEU A 61 29.360 17.583 30.036 1.00 0.00 ATOM 470 N LYS A 62 29.970 18.636 30.576 1.00 0.00 ATOM 471 CA LYS A 62 31.371 18.665 30.953 1.00 0.00 ATOM 472 CB LYS A 62 31.746 20.116 31.247 1.00 0.00 ATOM 473 CG LYS A 62 32.984 20.643 30.553 1.00 0.00 ATOM 474 CD LYS A 62 33.156 22.153 30.841 1.00 0.00 ATOM 475 CE LYS A 62 33.888 22.414 32.171 1.00 0.00 ATOM 476 NZ LYS A 62 33.293 21.660 33.327 1.00 0.00 ATOM 477 O LYS A 62 32.640 17.179 32.342 1.00 0.00 ATOM 478 C LYS A 62 31.590 17.811 32.207 1.00 0.00 ATOM 479 N ALA A 63 30.625 17.807 33.131 1.00 0.00 ATOM 480 CA ALA A 63 30.693 16.939 34.316 1.00 0.00 ATOM 481 CB ALA A 63 29.567 17.241 35.291 1.00 0.00 ATOM 482 O ALA A 63 31.267 14.631 34.631 1.00 0.00 ATOM 483 C ALA A 63 30.658 15.457 33.942 1.00 0.00 ATOM 484 N SER A 64 29.953 15.123 32.856 1.00 0.00 ATOM 485 CA SER A 64 29.842 13.728 32.420 1.00 0.00 ATOM 486 CB SER A 64 28.758 13.566 31.324 1.00 0.00 ATOM 487 OG SER A 64 29.199 14.057 30.064 1.00 0.00 ATOM 488 O SER A 64 31.392 11.844 32.206 1.00 0.00 ATOM 489 C SER A 64 31.199 13.080 32.035 1.00 0.00 ATOM 490 N ASP A 65 32.136 13.905 31.555 1.00 0.00 ATOM 491 CA ASP A 65 33.473 13.414 31.205 1.00 0.00 ATOM 492 CB ASP A 65 34.266 14.421 30.334 1.00 0.00 ATOM 493 CG ASP A 65 33.481 14.938 29.140 1.00 0.00 ATOM 494 OD1 ASP A 65 32.895 14.131 28.379 1.00 0.00 ATOM 495 OD2 ASP A 65 33.460 16.166 28.951 1.00 0.00 ATOM 496 O ASP A 65 35.339 12.387 32.291 1.00 0.00 ATOM 497 C ASP A 65 34.325 13.052 32.428 1.00 0.00 ATOM 498 N SER A 66 33.959 13.524 33.610 1.00 0.00 ATOM 499 CA SER A 66 34.743 13.194 34.802 1.00 0.00 ATOM 500 CB SER A 66 34.844 14.393 35.750 1.00 0.00 ATOM 501 OG SER A 66 33.595 14.657 36.381 1.00 0.00 ATOM 502 O SER A 66 34.720 11.602 36.601 1.00 0.00 ATOM 503 C SER A 66 34.186 11.981 35.550 1.00 0.00 ATOM 504 N ILE A 67 33.106 11.384 35.045 1.00 0.00 ATOM 505 CA ILE A 67 32.583 10.199 35.695 1.00 0.00 ATOM 506 CB ILE A 67 31.152 10.354 36.294 1.00 0.00 ATOM 507 CG1 ILE A 67 30.102 10.595 35.196 1.00 0.00 ATOM 508 CG2 ILE A 67 31.155 11.339 37.517 1.00 0.00 ATOM 509 CD1 ILE A 67 28.789 9.794 35.410 1.00 0.00 ATOM 510 O ILE A 67 32.559 9.091 33.581 1.00 0.00 ATOM 511 C ILE A 67 32.652 8.988 34.797 1.00 0.00 ATOM 512 N GLU A 68 32.822 7.839 35.427 1.00 0.00 ATOM 513 CA GLU A 68 32.801 6.563 34.757 1.00 0.00 ATOM 514 CB GLU A 68 33.309 5.495 35.728 1.00 0.00 ATOM 515 CG GLU A 68 34.742 5.699 36.245 1.00 0.00 ATOM 516 CD GLU A 68 35.763 5.643 35.132 1.00 0.00 ATOM 517 OE1 GLU A 68 35.679 4.700 34.308 1.00 0.00 ATOM 518 OE2 GLU A 68 36.640 6.543 35.074 1.00 0.00 ATOM 519 O GLU A 68 30.387 6.319 34.980 1.00 0.00 ATOM 520 C GLU A 68 31.389 6.171 34.264 1.00 0.00 ATOM 521 N ALA A 69 31.324 5.581 33.067 1.00 0.00 ATOM 522 CA ALA A 69 30.050 5.050 32.573 1.00 0.00 ATOM 523 CB ALA A 69 30.197 4.410 31.155 1.00 0.00 ATOM 524 O ALA A 69 28.241 4.072 33.800 1.00 0.00 ATOM 525 C ALA A 69 29.446 4.087 33.593 1.00 0.00 ATOM 526 N SER A 70 30.271 3.308 34.278 1.00 0.00 ATOM 527 CA SER A 70 29.746 2.308 35.228 1.00 0.00 ATOM 528 CB SER A 70 30.858 1.334 35.651 1.00 0.00 ATOM 529 OG SER A 70 31.990 2.023 36.135 1.00 0.00 ATOM 530 O SER A 70 28.097 2.418 36.995 1.00 0.00 ATOM 531 C SER A 70 29.055 2.950 36.444 1.00 0.00 ATOM 532 N GLN A 71 29.523 4.129 36.828 1.00 0.00 ATOM 533 CA GLN A 71 28.910 4.867 37.916 1.00 0.00 ATOM 534 CB GLN A 71 29.875 5.965 38.384 1.00 0.00 ATOM 535 CG GLN A 71 29.311 6.944 39.397 1.00 0.00 ATOM 536 CD GLN A 71 28.870 6.329 40.722 1.00 0.00 ATOM 537 OE1 GLN A 71 29.122 5.136 41.024 1.00 0.00 ATOM 538 NE2 GLN A 71 28.209 7.150 41.536 1.00 0.00 ATOM 539 O GLN A 71 26.650 5.552 38.357 1.00 0.00 ATOM 540 C GLN A 71 27.581 5.483 37.530 1.00 0.00 ATOM 541 N ALA A 72 27.472 5.940 36.278 1.00 0.00 ATOM 542 CA ALA A 72 26.183 6.446 35.749 1.00 0.00 ATOM 543 CB ALA A 72 26.364 7.017 34.318 1.00 0.00 ATOM 544 O ALA A 72 23.987 5.554 36.101 1.00 0.00 ATOM 545 C ALA A 72 25.137 5.333 35.766 1.00 0.00 ATOM 546 N VAL A 73 25.537 4.129 35.379 1.00 0.00 ATOM 547 CA VAL A 73 24.647 2.955 35.432 1.00 0.00 ATOM 548 CB VAL A 73 25.362 1.668 34.933 1.00 0.00 ATOM 549 CG1 VAL A 73 24.492 0.400 35.196 1.00 0.00 ATOM 550 CG2 VAL A 73 25.787 1.777 33.405 1.00 0.00 ATOM 551 O VAL A 73 22.878 2.634 37.059 1.00 0.00 ATOM 552 C VAL A 73 24.099 2.721 36.858 1.00 0.00 ATOM 553 N ALA A 74 24.999 2.613 37.842 1.00 0.00 ATOM 554 CA ALA A 74 24.623 2.514 39.291 1.00 0.00 ATOM 555 CB ALA A 74 25.867 2.607 40.141 1.00 0.00 ATOM 556 O ALA A 74 22.630 3.339 40.431 1.00 0.00 ATOM 557 C ALA A 74 23.618 3.606 39.716 1.00 0.00 ATOM 558 N LEU A 75 23.883 4.844 39.277 1.00 0.00 ATOM 559 CA LEU A 75 23.022 5.994 39.619 1.00 0.00 ATOM 560 CB LEU A 75 23.686 7.310 39.197 1.00 0.00 ATOM 561 CG LEU A 75 24.843 7.738 40.073 1.00 0.00 ATOM 562 CD1 LEU A 75 25.661 8.830 39.365 1.00 0.00 ATOM 563 CD2 LEU A 75 24.279 8.218 41.427 1.00 0.00 ATOM 564 O LEU A 75 20.648 6.283 39.640 1.00 0.00 ATOM 565 C LEU A 75 21.623 5.925 38.998 1.00 0.00 ATOM 566 N ILE A 76 21.526 5.428 37.768 1.00 0.00 ATOM 567 CA ILE A 76 20.229 5.262 37.075 1.00 0.00 ATOM 568 CB ILE A 76 20.428 5.052 35.543 1.00 0.00 ATOM 569 CG1 ILE A 76 21.089 6.255 34.855 1.00 0.00 ATOM 570 CG2 ILE A 76 19.116 4.736 34.867 1.00 0.00 ATOM 571 CD1 ILE A 76 20.453 7.600 35.168 1.00 0.00 ATOM 572 O ILE A 76 18.279 4.037 37.902 1.00 0.00 ATOM 573 C ILE A 76 19.503 4.025 37.632 1.00 0.00 ATOM 574 N ALA A 77 20.262 2.944 37.786 1.00 0.00 ATOM 575 CA ALA A 77 19.681 1.666 38.193 1.00 0.00 ATOM 576 CB ALA A 77 20.760 0.567 38.280 1.00 0.00 ATOM 577 O ALA A 77 17.995 0.939 39.749 1.00 0.00 ATOM 578 C ALA A 77 18.916 1.753 39.500 1.00 0.00 ATOM 579 N ARG A 78 19.291 2.709 40.346 1.00 0.00 ATOM 580 CA ARG A 78 18.665 2.812 41.665 1.00 0.00 ATOM 581 CB ARG A 78 19.696 3.162 42.732 1.00 0.00 ATOM 582 CG ARG A 78 20.174 4.624 42.736 1.00 0.00 ATOM 583 CD ARG A 78 21.397 4.722 43.653 1.00 0.00 ATOM 584 NE ARG A 78 21.777 6.090 44.036 1.00 0.00 ATOM 585 CZ ARG A 78 22.883 6.396 44.733 1.00 0.00 ATOM 586 NH1 ARG A 78 23.707 5.436 45.130 1.00 0.00 ATOM 587 NH2 ARG A 78 23.177 7.654 45.041 1.00 0.00 ATOM 588 O ARG A 78 16.956 4.076 42.795 1.00 0.00 ATOM 589 C ARG A 78 17.483 3.788 41.717 1.00 0.00 ATOM 590 N MET A 79 17.072 4.303 40.567 1.00 0.00 ATOM 591 CA MET A 79 15.936 5.242 40.539 1.00 0.00 ATOM 592 CB MET A 79 15.930 6.105 39.262 1.00 0.00 ATOM 593 CG MET A 79 17.072 7.095 39.138 1.00 0.00 ATOM 594 SD MET A 79 17.109 8.121 37.618 1.00 0.00 ATOM 595 CE MET A 79 16.437 7.104 36.421 1.00 0.00 ATOM 596 O MET A 79 14.507 3.312 40.269 1.00 0.00 ATOM 597 C MET A 79 14.598 4.479 40.647 1.00 0.00 ATOM 598 N ASP A 80 13.560 5.172 41.110 1.00 0.00 ATOM 599 CA ASP A 80 12.196 4.636 41.131 1.00 0.00 ATOM 600 CB ASP A 80 11.294 5.635 41.821 1.00 0.00 ATOM 601 CG ASP A 80 11.404 7.011 41.185 1.00 0.00 ATOM 602 OD1 ASP A 80 12.374 7.736 41.473 1.00 0.00 ATOM 603 OD2 ASP A 80 10.562 7.342 40.341 1.00 0.00 ATOM 604 O ASP A 80 12.272 5.006 38.748 1.00 0.00 ATOM 605 C ASP A 80 11.716 4.422 39.695 1.00 0.00 ATOM 606 N GLU A 81 10.683 3.597 39.523 1.00 0.00 ATOM 607 CA GLU A 81 10.252 3.209 38.179 1.00 0.00 ATOM 608 CB GLU A 81 9.192 2.111 38.219 1.00 0.00 ATOM 609 CG GLU A 81 9.652 0.799 38.855 1.00 0.00 ATOM 610 CD GLU A 81 10.816 0.163 38.135 1.00 0.00 ATOM 611 OE1 GLU A 81 10.877 0.232 36.897 1.00 0.00 ATOM 612 OE2 GLU A 81 11.675 -0.419 38.826 1.00 0.00 ATOM 613 O GLU A 81 9.933 4.334 36.093 1.00 0.00 ATOM 614 C GLU A 81 9.756 4.366 37.306 1.00 0.00 ATOM 615 N GLU A 82 9.144 5.379 37.902 1.00 0.00 ATOM 616 CA GLU A 82 8.654 6.523 37.109 1.00 0.00 ATOM 617 CB GLU A 82 7.771 7.471 37.944 1.00 0.00 ATOM 618 CG GLU A 82 7.435 8.820 37.272 1.00 0.00 ATOM 619 CD GLU A 82 5.933 9.169 37.154 1.00 0.00 ATOM 620 OE1 GLU A 82 5.293 8.758 36.145 1.00 0.00 ATOM 621 OE2 GLU A 82 5.388 9.903 38.019 1.00 0.00 ATOM 622 O GLU A 82 9.738 7.605 35.226 1.00 0.00 ATOM 623 C GLU A 82 9.811 7.257 36.416 1.00 0.00 ATOM 624 N ARG A 83 10.873 7.495 37.159 1.00 0.00 ATOM 625 CA ARG A 83 12.044 8.172 36.612 1.00 0.00 ATOM 626 CB ARG A 83 12.912 8.760 37.744 1.00 0.00 ATOM 627 CG ARG A 83 12.283 10.096 38.238 1.00 0.00 ATOM 628 CD ARG A 83 13.120 10.848 39.259 1.00 0.00 ATOM 629 NE ARG A 83 13.757 9.942 40.235 1.00 0.00 ATOM 630 CZ ARG A 83 14.970 10.128 40.768 1.00 0.00 ATOM 631 NH1 ARG A 83 15.475 9.245 41.619 1.00 0.00 ATOM 632 NH2 ARG A 83 15.697 11.181 40.448 1.00 0.00 ATOM 633 O ARG A 83 13.133 7.790 34.552 1.00 0.00 ATOM 634 C ARG A 83 12.786 7.300 35.607 1.00 0.00 ATOM 635 N LYS A 84 12.902 5.988 35.880 1.00 0.00 ATOM 636 CA LYS A 84 13.445 5.045 34.909 1.00 0.00 ATOM 637 CB LYS A 84 13.451 3.608 35.477 1.00 0.00 ATOM 638 CG LYS A 84 14.572 3.363 36.423 1.00 0.00 ATOM 639 CD LYS A 84 14.582 1.914 36.907 1.00 0.00 ATOM 640 CE LYS A 84 15.800 1.669 37.760 1.00 0.00 ATOM 641 NZ LYS A 84 16.195 0.186 37.846 1.00 0.00 ATOM 642 O LYS A 84 13.345 5.002 32.501 1.00 0.00 ATOM 643 C LYS A 84 12.710 5.066 33.556 1.00 0.00 ATOM 644 N LYS A 85 11.384 5.122 33.603 1.00 0.00 ATOM 645 CA LYS A 85 10.546 5.163 32.413 1.00 0.00 ATOM 646 CB LYS A 85 9.059 5.098 32.825 1.00 0.00 ATOM 647 CG LYS A 85 8.076 5.466 31.740 1.00 0.00 ATOM 648 CD LYS A 85 6.638 5.385 32.226 1.00 0.00 ATOM 649 CE LYS A 85 5.674 5.645 31.091 1.00 0.00 ATOM 650 NZ LYS A 85 5.181 7.059 31.040 1.00 0.00 ATOM 651 O LYS A 85 10.908 6.356 30.324 1.00 0.00 ATOM 652 C LYS A 85 10.833 6.408 31.560 1.00 0.00 ATOM 653 N TYR A 86 11.002 7.529 32.246 1.00 0.00 ATOM 654 CA TYR A 86 11.312 8.781 31.613 1.00 0.00 ATOM 655 CB TYR A 86 11.253 9.857 32.674 1.00 0.00 ATOM 656 CG TYR A 86 11.003 11.211 32.101 1.00 0.00 ATOM 657 CD1 TYR A 86 12.043 12.137 31.987 1.00 0.00 ATOM 658 CD2 TYR A 86 9.726 11.574 31.648 1.00 0.00 ATOM 659 CE1 TYR A 86 11.839 13.378 31.441 1.00 0.00 ATOM 660 CE2 TYR A 86 9.508 12.847 31.102 1.00 0.00 ATOM 661 CZ TYR A 86 10.572 13.733 31.014 1.00 0.00 ATOM 662 OH TYR A 86 10.384 14.995 30.500 1.00 0.00 ATOM 663 O TYR A 86 12.936 9.118 29.838 1.00 0.00 ATOM 664 C TYR A 86 12.726 8.725 30.997 1.00 0.00 ATOM 665 N VAL A 87 13.694 8.191 31.740 1.00 0.00 ATOM 666 CA VAL A 87 15.043 8.025 31.162 1.00 0.00 ATOM 667 CB VAL A 87 16.099 7.549 32.181 1.00 0.00 ATOM 668 CG1 VAL A 87 17.473 7.417 31.503 1.00 0.00 ATOM 669 CG2 VAL A 87 16.201 8.538 33.333 1.00 0.00 ATOM 670 O VAL A 87 15.694 7.418 28.943 1.00 0.00 ATOM 671 C VAL A 87 15.035 7.106 29.954 1.00 0.00 ATOM 672 N ALA A 88 14.334 5.963 30.044 1.00 0.00 ATOM 673 CA ALA A 88 14.194 5.072 28.868 1.00 0.00 ATOM 674 CB ALA A 88 13.432 3.776 29.226 1.00 0.00 ATOM 675 O ALA A 88 13.863 5.525 26.514 1.00 0.00 ATOM 676 C ALA A 88 13.514 5.767 27.674 1.00 0.00 ATOM 677 N SER A 89 12.531 6.618 27.953 1.00 0.00 ATOM 678 CA SER A 89 11.781 7.268 26.869 1.00 0.00 ATOM 679 CB SER A 89 10.506 7.983 27.375 1.00 0.00 ATOM 680 OG SER A 89 9.722 7.072 28.129 1.00 0.00 ATOM 681 O SER A 89 12.733 8.227 24.923 1.00 0.00 ATOM 682 C SER A 89 12.712 8.201 26.144 1.00 0.00 ATOM 683 N TYR A 90 13.509 8.917 26.921 1.00 0.00 ATOM 684 CA TYR A 90 14.517 9.857 26.439 1.00 0.00 ATOM 685 CB TYR A 90 15.212 10.501 27.650 1.00 0.00 ATOM 686 CG TYR A 90 16.458 11.297 27.311 1.00 0.00 ATOM 687 CD1 TYR A 90 16.377 12.430 26.496 1.00 0.00 ATOM 688 CD2 TYR A 90 17.729 10.919 27.806 1.00 0.00 ATOM 689 CE1 TYR A 90 17.495 13.156 26.186 1.00 0.00 ATOM 690 CE2 TYR A 90 18.866 11.673 27.507 1.00 0.00 ATOM 691 CZ TYR A 90 18.742 12.793 26.695 1.00 0.00 ATOM 692 OH TYR A 90 19.843 13.573 26.359 1.00 0.00 ATOM 693 O TYR A 90 15.862 9.627 24.453 1.00 0.00 ATOM 694 C TYR A 90 15.552 9.167 25.549 1.00 0.00 ATOM 695 N LEU A 91 16.056 8.023 26.008 1.00 0.00 ATOM 696 CA LEU A 91 17.055 7.320 25.253 1.00 0.00 ATOM 697 CB LEU A 91 17.704 6.214 26.078 1.00 0.00 ATOM 698 CG LEU A 91 18.631 6.693 27.217 1.00 0.00 ATOM 699 CD1 LEU A 91 18.954 5.531 28.111 1.00 0.00 ATOM 700 CD2 LEU A 91 19.938 7.376 26.701 1.00 0.00 ATOM 701 O LEU A 91 17.100 6.869 22.920 1.00 0.00 ATOM 702 C LEU A 91 16.449 6.830 23.942 1.00 0.00 ATOM 703 N GLY A 92 15.168 6.469 23.977 1.00 0.00 ATOM 704 CA GLY A 92 14.481 5.936 22.849 1.00 0.00 ATOM 705 O GLY A 92 14.163 6.553 20.574 1.00 0.00 ATOM 706 C GLY A 92 14.174 6.927 21.758 1.00 0.00 ATOM 707 N VAL A 93 13.924 8.178 22.135 1.00 0.00 ATOM 708 CA VAL A 93 13.651 9.204 21.146 1.00 0.00 ATOM 709 CB VAL A 93 12.765 10.361 21.692 1.00 0.00 ATOM 710 CG1 VAL A 93 11.511 9.808 22.386 1.00 0.00 ATOM 711 CG2 VAL A 93 13.558 11.255 22.593 1.00 0.00 ATOM 712 O VAL A 93 14.796 10.359 19.415 1.00 0.00 ATOM 713 C VAL A 93 14.900 9.795 20.507 1.00 0.00 ATOM 714 N ILE A 94 16.066 9.683 21.166 1.00 0.00 ATOM 715 CA ILE A 94 17.326 10.212 20.598 1.00 0.00 ATOM 716 CB ILE A 94 18.521 10.058 21.562 1.00 0.00 ATOM 717 CG1 ILE A 94 18.434 11.119 22.640 1.00 0.00 ATOM 718 CG2 ILE A 94 19.892 10.130 20.809 1.00 0.00 ATOM 719 CD1 ILE A 94 19.295 10.814 23.877 1.00 0.00 ATOM 720 O ILE A 94 17.992 10.379 18.286 1.00 0.00 ATOM 721 C ILE A 94 17.645 9.633 19.215 1.00 0.00 ATOM 722 N MET A 95 17.506 8.317 19.065 1.00 0.00 ATOM 723 CA MET A 95 17.863 7.699 17.800 1.00 0.00 ATOM 724 CB MET A 95 18.669 6.396 18.011 1.00 0.00 ATOM 725 CG MET A 95 20.053 6.595 18.714 1.00 0.00 ATOM 726 SD MET A 95 20.920 5.047 18.815 1.00 0.00 ATOM 727 CE MET A 95 19.698 4.160 19.754 1.00 0.00 ATOM 728 O MET A 95 16.865 7.120 15.696 1.00 0.00 ATOM 729 C MET A 95 16.677 7.548 16.834 1.00 0.00 ATOM 730 N ALA A 96 15.469 7.902 17.270 1.00 0.00 ATOM 731 CA ALA A 96 14.319 7.826 16.372 1.00 0.00 ATOM 732 CB ALA A 96 12.975 7.862 17.144 1.00 0.00 ATOM 733 O ALA A 96 14.861 10.057 15.645 1.00 0.00 ATOM 734 C ALA A 96 14.391 8.954 15.346 1.00 0.00 ATOM 735 N SER A 97 13.936 8.653 14.132 1.00 0.00 ATOM 736 CA SER A 97 13.872 9.632 13.058 1.00 0.00 ATOM 737 CB SER A 97 15.049 9.443 12.091 1.00 0.00 ATOM 738 OG SER A 97 15.346 10.664 11.414 1.00 0.00 ATOM 739 O SER A 97 12.259 8.414 11.756 1.00 0.00 ATOM 740 C SER A 97 12.525 9.458 12.364 1.00 0.00 ATOM 741 N ASP A 98 11.671 10.476 12.491 1.00 0.00 ATOM 742 CA ASP A 98 10.282 10.443 12.001 1.00 0.00 ATOM 743 CB ASP A 98 10.228 10.332 10.460 1.00 0.00 ATOM 744 CG ASP A 98 10.280 11.695 9.753 1.00 0.00 ATOM 745 OD1 ASP A 98 10.541 12.738 10.402 1.00 0.00 ATOM 746 OD2 ASP A 98 10.046 11.725 8.528 1.00 0.00 ATOM 747 O ASP A 98 8.562 8.720 12.072 1.00 0.00 ATOM 748 C ASP A 98 9.440 9.344 12.700 1.00 0.00 ATOM 749 N GLY A 99 9.722 9.117 13.992 1.00 0.00 ATOM 750 CA GLY A 99 8.967 8.177 14.829 1.00 0.00 ATOM 751 O GLY A 99 8.518 5.803 14.990 1.00 0.00 ATOM 752 C GLY A 99 9.268 6.716 14.560 1.00 0.00 ATOM 753 N ASP A 100 10.342 6.494 13.808 1.00 0.00 ATOM 754 CA ASP A 100 10.821 5.142 13.521 1.00 0.00 ATOM 755 CB ASP A 100 10.675 4.807 12.034 1.00 0.00 ATOM 756 CG ASP A 100 9.219 4.594 11.625 1.00 0.00 ATOM 757 OD1 ASP A 100 8.407 4.158 12.477 1.00 0.00 ATOM 758 OD2 ASP A 100 8.884 4.860 10.451 1.00 0.00 ATOM 759 O ASP A 100 13.086 5.835 13.966 1.00 0.00 ATOM 760 C ASP A 100 12.262 4.931 13.997 1.00 0.00 ATOM 761 N ILE A 101 12.545 3.713 14.441 1.00 0.00 ATOM 762 CA ILE A 101 13.872 3.355 14.844 1.00 0.00 ATOM 763 CB ILE A 101 13.918 3.264 16.402 1.00 0.00 ATOM 764 CG1 ILE A 101 15.352 3.344 16.938 1.00 0.00 ATOM 765 CG2 ILE A 101 13.133 2.058 16.912 1.00 0.00 ATOM 766 CD1 ILE A 101 15.451 3.268 18.512 1.00 0.00 ATOM 767 O ILE A 101 13.463 1.138 13.982 1.00 0.00 ATOM 768 C ILE A 101 14.270 2.067 14.100 1.00 0.00 ATOM 769 N ASP A 102 15.481 2.017 13.548 1.00 0.00 ATOM 770 CA ASP A 102 15.904 0.785 12.887 1.00 0.00 ATOM 771 CB ASP A 102 16.933 1.009 11.751 1.00 0.00 ATOM 772 CG ASP A 102 18.330 1.366 12.245 1.00 0.00 ATOM 773 OD1 ASP A 102 18.784 0.853 13.286 1.00 0.00 ATOM 774 OD2 ASP A 102 19.003 2.155 11.541 1.00 0.00 ATOM 775 O ASP A 102 16.476 0.091 15.094 1.00 0.00 ATOM 776 C ASP A 102 16.338 -0.244 13.912 1.00 0.00 ATOM 777 N ASP A 103 16.536 -1.488 13.456 1.00 0.00 ATOM 778 CA ASP A 103 16.752 -2.647 14.325 1.00 0.00 ATOM 779 CB ASP A 103 16.772 -3.942 13.516 1.00 0.00 ATOM 780 CG ASP A 103 15.540 -4.129 12.670 1.00 0.00 ATOM 781 OD1 ASP A 103 14.405 -4.053 13.176 1.00 0.00 ATOM 782 OD2 ASP A 103 15.716 -4.365 11.469 1.00 0.00 ATOM 783 O ASP A 103 18.116 -3.143 16.243 1.00 0.00 ATOM 784 C ASP A 103 18.048 -2.588 15.139 1.00 0.00 ATOM 785 N ASN A 104 19.065 -1.942 14.570 1.00 0.00 ATOM 786 CA ASN A 104 20.372 -1.826 15.220 1.00 0.00 ATOM 787 CB ASN A 104 21.452 -1.444 14.209 1.00 0.00 ATOM 788 CG ASN A 104 21.466 -2.372 13.003 1.00 0.00 ATOM 789 ND2 ASN A 104 21.463 -1.790 11.800 1.00 0.00 ATOM 790 OD1 ASN A 104 21.472 -3.608 13.153 1.00 0.00 ATOM 791 O ASN A 104 20.832 -1.114 17.443 1.00 0.00 ATOM 792 C ASN A 104 20.312 -0.837 16.362 1.00 0.00 ATOM 793 N GLU A 105 19.670 0.298 16.100 1.00 0.00 ATOM 794 CA GLU A 105 19.338 1.320 17.085 1.00 0.00 ATOM 795 CB GLU A 105 18.647 2.494 16.392 1.00 0.00 ATOM 796 CG GLU A 105 19.611 3.500 15.910 1.00 0.00 ATOM 797 CD GLU A 105 19.359 3.968 14.482 1.00 0.00 ATOM 798 OE1 GLU A 105 18.211 4.362 14.148 1.00 0.00 ATOM 799 OE2 GLU A 105 20.350 3.946 13.703 1.00 0.00 ATOM 800 O GLU A 105 18.669 1.073 19.362 1.00 0.00 ATOM 801 C GLU A 105 18.441 0.794 18.194 1.00 0.00 ATOM 802 N LEU A 106 17.432 0.021 17.818 1.00 0.00 ATOM 803 CA LEU A 106 16.553 -0.624 18.761 1.00 0.00 ATOM 804 CB LEU A 106 15.416 -1.375 18.050 1.00 0.00 ATOM 805 CG LEU A 106 14.516 -2.261 18.940 1.00 0.00 ATOM 806 CD1 LEU A 106 13.857 -1.476 20.097 1.00 0.00 ATOM 807 CD2 LEU A 106 13.456 -2.996 18.090 1.00 0.00 ATOM 808 O LEU A 106 17.128 -1.562 20.873 1.00 0.00 ATOM 809 C LEU A 106 17.348 -1.556 19.662 1.00 0.00 ATOM 810 N ALA A 107 18.280 -2.310 19.080 1.00 0.00 ATOM 811 CA ALA A 107 19.127 -3.185 19.867 1.00 0.00 ATOM 812 CB ALA A 107 19.996 -4.113 18.950 1.00 0.00 ATOM 813 O ALA A 107 20.218 -2.900 21.974 1.00 0.00 ATOM 814 C ALA A 107 19.999 -2.430 20.862 1.00 0.00 ATOM 815 N LEU A 108 20.527 -1.276 20.457 1.00 0.00 ATOM 816 CA LEU A 108 21.392 -0.495 21.338 1.00 0.00 ATOM 817 CB LEU A 108 22.093 0.623 20.584 1.00 0.00 ATOM 818 CG LEU A 108 23.218 0.212 19.637 1.00 0.00 ATOM 819 CD1 LEU A 108 23.607 1.408 18.746 1.00 0.00 ATOM 820 CD2 LEU A 108 24.394 -0.310 20.428 1.00 0.00 ATOM 821 O LEU A 108 21.115 0.122 23.662 1.00 0.00 ATOM 822 C LEU A 108 20.621 0.098 22.510 1.00 0.00 ATOM 823 N TRP A 109 19.429 0.589 22.195 1.00 0.00 ATOM 824 CA TRP A 109 18.488 1.091 23.176 1.00 0.00 ATOM 825 CB TRP A 109 17.328 1.813 22.445 1.00 0.00 ATOM 826 CG TRP A 109 16.214 2.289 23.311 1.00 0.00 ATOM 827 CD1 TRP A 109 16.325 2.823 24.566 1.00 0.00 ATOM 828 CD2 TRP A 109 14.808 2.346 22.974 1.00 0.00 ATOM 829 CE2 TRP A 109 14.137 2.890 24.087 1.00 0.00 ATOM 830 CE3 TRP A 109 14.053 1.955 21.851 1.00 0.00 ATOM 831 NE1 TRP A 109 15.082 3.172 25.039 1.00 0.00 ATOM 832 CZ2 TRP A 109 12.751 3.047 24.125 1.00 0.00 ATOM 833 CZ3 TRP A 109 12.670 2.111 21.889 1.00 0.00 ATOM 834 CH2 TRP A 109 12.037 2.680 23.004 1.00 0.00 ATOM 835 O TRP A 109 18.037 0.088 25.286 1.00 0.00 ATOM 836 C TRP A 109 18.043 -0.063 24.087 1.00 0.00 ATOM 837 N THR A 110 17.806 -1.260 23.547 1.00 0.00 ATOM 838 CA THR A 110 17.412 -2.380 24.404 1.00 0.00 ATOM 839 CB THR A 110 17.025 -3.615 23.599 1.00 0.00 ATOM 840 CG2 THR A 110 16.667 -4.709 24.497 1.00 0.00 ATOM 841 OG1 THR A 110 15.891 -3.326 22.797 1.00 0.00 ATOM 842 O THR A 110 18.332 -2.921 26.570 1.00 0.00 ATOM 843 C THR A 110 18.555 -2.740 25.341 1.00 0.00 ATOM 844 N LEU A 111 19.779 -2.820 24.799 1.00 0.00 ATOM 845 CA LEU A 111 20.921 -3.219 25.657 1.00 0.00 ATOM 846 CB LEU A 111 22.200 -3.480 24.841 1.00 0.00 ATOM 847 CG LEU A 111 23.501 -3.790 25.601 1.00 0.00 ATOM 848 CD1 LEU A 111 23.420 -5.110 26.400 1.00 0.00 ATOM 849 CD2 LEU A 111 24.697 -3.814 24.606 1.00 0.00 ATOM 850 O LEU A 111 21.304 -2.725 27.956 1.00 0.00 ATOM 851 C LEU A 111 21.165 -2.266 26.825 1.00 0.00 ATOM 852 N ILE A 112 21.193 -0.947 26.561 1.00 0.00 ATOM 853 CA ILE A 112 21.412 0.053 27.630 1.00 0.00 ATOM 854 CB ILE A 112 21.650 1.487 27.076 1.00 0.00 ATOM 855 CG1 ILE A 112 22.208 2.437 28.152 1.00 0.00 ATOM 856 CG2 ILE A 112 20.387 2.062 26.523 1.00 0.00 ATOM 857 CD1 ILE A 112 23.224 3.482 27.619 1.00 0.00 ATOM 858 O ILE A 112 20.531 0.086 29.854 1.00 0.00 ATOM 859 C ILE A 112 20.293 0.027 28.653 1.00 0.00 ATOM 860 N SER A 113 19.056 -0.087 28.177 1.00 0.00 ATOM 861 CA SER A 113 17.914 -0.252 29.064 1.00 0.00 ATOM 862 CB SER A 113 16.643 -0.361 28.229 1.00 0.00 ATOM 863 OG SER A 113 16.425 0.864 27.560 1.00 0.00 ATOM 864 O SER A 113 17.814 -1.382 31.167 1.00 0.00 ATOM 865 C SER A 113 18.069 -1.477 29.970 1.00 0.00 ATOM 866 N THR A 114 18.480 -2.619 29.396 1.00 0.00 ATOM 867 CA THR A 114 18.695 -3.830 30.190 1.00 0.00 ATOM 868 CB THR A 114 19.150 -5.035 29.324 1.00 0.00 ATOM 869 CG2 THR A 114 19.383 -6.325 30.197 1.00 0.00 ATOM 870 OG1 THR A 114 18.147 -5.307 28.335 1.00 0.00 ATOM 871 O THR A 114 19.453 -3.849 32.482 1.00 0.00 ATOM 872 C THR A 114 19.718 -3.547 31.316 1.00 0.00 ATOM 873 N LEU A 115 20.848 -2.928 30.968 1.00 0.00 ATOM 874 CA LEU A 115 21.941 -2.735 31.903 1.00 0.00 ATOM 875 CB LEU A 115 23.259 -2.320 31.216 1.00 0.00 ATOM 876 CG LEU A 115 24.053 -3.277 30.301 1.00 0.00 ATOM 877 CD1 LEU A 115 25.559 -3.072 30.455 1.00 0.00 ATOM 878 CD2 LEU A 115 23.735 -4.757 30.466 1.00 0.00 ATOM 879 O LEU A 115 22.000 -1.965 34.170 1.00 0.00 ATOM 880 C LEU A 115 21.572 -1.771 33.032 1.00 0.00 ATOM 881 N CYS A 116 20.743 -0.775 32.714 1.00 0.00 ATOM 882 CA CYS A 116 20.362 0.264 33.670 1.00 0.00 ATOM 883 CB CYS A 116 20.192 1.607 32.945 1.00 0.00 ATOM 884 SG CYS A 116 21.731 2.382 32.411 1.00 0.00 ATOM 885 O CYS A 116 18.608 0.654 35.238 1.00 0.00 ATOM 886 C CYS A 116 19.056 -0.102 34.400 1.00 0.00 ATOM 887 N GLY A 117 18.446 -1.238 34.051 1.00 0.00 ATOM 888 CA GLY A 117 17.159 -1.644 34.625 1.00 0.00 ATOM 889 O GLY A 117 15.013 -0.638 35.115 1.00 0.00 ATOM 890 C GLY A 117 15.928 -0.802 34.269 1.00 0.00 ATOM 891 N LEU A 118 15.914 -0.269 33.028 1.00 0.00 ATOM 892 CA LEU A 118 14.813 0.549 32.514 1.00 0.00 ATOM 893 CB LEU A 118 15.316 1.531 31.437 1.00 0.00 ATOM 894 CG LEU A 118 16.574 2.344 31.799 1.00 0.00 ATOM 895 CD1 LEU A 118 17.115 3.152 30.625 1.00 0.00 ATOM 896 CD2 LEU A 118 16.368 3.243 33.050 1.00 0.00 ATOM 897 O LEU A 118 14.077 -1.494 31.481 1.00 0.00 ATOM 898 C LEU A 118 13.743 -0.378 31.922 1.00 0.00 ATOM 899 N PRO A 119 12.468 0.074 31.896 1.00 0.00 ATOM 900 CA PRO A 119 11.403 -0.763 31.321 1.00 0.00 ATOM 901 CB PRO A 119 10.138 -0.064 31.788 1.00 0.00 ATOM 902 CG PRO A 119 10.533 1.391 31.813 1.00 0.00 ATOM 903 CD PRO A 119 11.936 1.353 32.403 1.00 0.00 ATOM 904 O PRO A 119 11.946 0.194 29.177 1.00 0.00 ATOM 905 C PRO A 119 11.473 -0.779 29.796 1.00 0.00 ATOM 906 N THR A 120 11.055 -1.890 29.193 1.00 0.00 ATOM 907 CA THR A 120 10.986 -1.978 27.738 1.00 0.00 ATOM 908 CB THR A 120 11.067 -3.456 27.173 1.00 0.00 ATOM 909 CG2 THR A 120 11.855 -4.364 28.061 1.00 0.00 ATOM 910 OG1 THR A 120 9.757 -4.003 26.962 1.00 0.00 ATOM 911 O THR A 120 8.697 -1.299 27.982 1.00 0.00 ATOM 912 C THR A 120 9.721 -1.263 27.291 1.00 0.00 ATOM 913 N MET A 121 9.820 -0.568 26.164 1.00 0.00 ATOM 914 CA MET A 121 8.697 0.116 25.546 1.00 0.00 ATOM 915 CB MET A 121 8.500 1.524 26.147 1.00 0.00 ATOM 916 CG MET A 121 9.706 2.442 26.013 1.00 0.00 ATOM 917 SD MET A 121 9.598 4.115 26.704 1.00 0.00 ATOM 918 CE MET A 121 9.767 3.790 28.431 1.00 0.00 ATOM 919 O MET A 121 10.084 0.027 23.558 1.00 0.00 ATOM 920 C MET A 121 8.952 0.192 24.031 1.00 0.00 ATOM 921 N THR A 122 7.892 0.418 23.267 1.00 0.00 ATOM 922 CA THR A 122 8.045 0.730 21.837 1.00 0.00 ATOM 923 CB THR A 122 6.750 0.542 21.061 1.00 0.00 ATOM 924 CG2 THR A 122 6.138 -0.815 21.369 1.00 0.00 ATOM 925 OG1 THR A 122 5.834 1.565 21.443 1.00 0.00 ATOM 926 O THR A 122 8.360 2.976 22.632 1.00 0.00 ATOM 927 C THR A 122 8.478 2.184 21.694 1.00 0.00 ATOM 928 N VAL A 123 8.947 2.516 20.494 1.00 0.00 ATOM 929 CA VAL A 123 9.469 3.831 20.201 1.00 0.00 ATOM 930 CB VAL A 123 10.316 3.801 18.890 1.00 0.00 ATOM 931 CG1 VAL A 123 9.500 3.254 17.694 1.00 0.00 ATOM 932 CG2 VAL A 123 10.933 5.164 18.590 1.00 0.00 ATOM 933 O VAL A 123 8.497 6.012 20.592 1.00 0.00 ATOM 934 C VAL A 123 8.305 4.846 20.217 1.00 0.00 ATOM 935 N MET A 124 7.103 4.378 19.836 1.00 0.00 ATOM 936 CA MET A 124 5.872 5.159 19.938 1.00 0.00 ATOM 937 CB MET A 124 4.679 4.378 19.369 1.00 0.00 ATOM 938 CG MET A 124 3.302 5.056 19.545 1.00 0.00 ATOM 939 SD MET A 124 1.985 4.427 18.468 1.00 0.00 ATOM 940 CE MET A 124 2.416 5.101 16.854 1.00 0.00 ATOM 941 O MET A 124 5.364 6.774 21.635 1.00 0.00 ATOM 942 C MET A 124 5.599 5.585 21.384 1.00 0.00 ATOM 943 N GLU A 125 5.612 4.620 22.310 1.00 0.00 ATOM 944 CA GLU A 125 5.443 4.881 23.753 1.00 0.00 ATOM 945 CB GLU A 125 5.408 3.577 24.558 1.00 0.00 ATOM 946 CG GLU A 125 4.062 2.852 24.523 1.00 0.00 ATOM 947 CD GLU A 125 4.184 1.359 24.872 1.00 0.00 ATOM 948 OE1 GLU A 125 5.313 0.843 25.058 1.00 0.00 ATOM 949 OE2 GLU A 125 3.126 0.696 24.942 1.00 0.00 ATOM 950 O GLU A 125 6.273 6.614 25.183 1.00 0.00 ATOM 951 C GLU A 125 6.543 5.787 24.315 1.00 0.00 ATOM 952 N ALA A 126 7.769 5.604 23.836 1.00 0.00 ATOM 953 CA ALA A 126 8.872 6.524 24.132 1.00 0.00 ATOM 954 CB ALA A 126 10.136 6.071 23.472 1.00 0.00 ATOM 955 O ALA A 126 8.755 8.877 24.533 1.00 0.00 ATOM 956 C ALA A 126 8.575 7.966 23.728 1.00 0.00 ATOM 957 N ILE A 127 8.151 8.148 22.472 1.00 0.00 ATOM 958 CA ILE A 127 7.903 9.474 21.886 1.00 0.00 ATOM 959 CB ILE A 127 7.654 9.358 20.340 1.00 0.00 ATOM 960 CG1 ILE A 127 8.950 8.947 19.621 1.00 0.00 ATOM 961 CG2 ILE A 127 7.051 10.675 19.744 1.00 0.00 ATOM 962 CD1 ILE A 127 8.772 8.414 18.229 1.00 0.00 ATOM 963 O ILE A 127 6.763 11.455 22.701 1.00 0.00 ATOM 964 C ILE A 127 6.748 10.213 22.589 1.00 0.00 ATOM 965 N ASN A 128 5.782 9.465 23.092 1.00 0.00 ATOM 966 CA ASN A 128 4.622 10.043 23.774 1.00 0.00 ATOM 967 CB ASN A 128 3.412 9.104 23.797 1.00 0.00 ATOM 968 CG ASN A 128 2.771 8.909 22.440 1.00 0.00 ATOM 969 ND2 ASN A 128 2.278 7.721 22.205 1.00 0.00 ATOM 970 OD1 ASN A 128 2.727 9.798 21.625 1.00 0.00 ATOM 971 O ASN A 128 4.541 11.459 25.628 1.00 0.00 ATOM 972 C ASN A 128 4.928 10.429 25.177 1.00 0.00 ATOM 973 N ASN A 129 5.664 9.589 25.875 1.00 0.00 ATOM 974 CA ASN A 129 6.028 9.926 27.230 1.00 0.00 ATOM 975 CB ASN A 129 6.828 8.814 27.882 1.00 0.00 ATOM 976 CG ASN A 129 6.083 7.507 27.940 1.00 0.00 ATOM 977 ND2 ASN A 129 6.753 6.468 27.573 1.00 0.00 ATOM 978 OD1 ASN A 129 4.927 7.435 28.307 1.00 0.00 ATOM 979 O ASN A 129 6.591 11.982 28.153 1.00 0.00 ATOM 980 C ASN A 129 6.778 11.216 27.286 1.00 0.00 ATOM 981 N MET A 130 7.663 11.436 26.344 1.00 0.00 ATOM 982 CA MET A 130 8.462 12.655 26.305 1.00 0.00 ATOM 983 CB MET A 130 9.678 12.490 25.398 1.00 0.00 ATOM 984 CG MET A 130 10.770 11.563 25.950 1.00 0.00 ATOM 985 SD MET A 130 11.503 11.995 27.481 1.00 0.00 ATOM 986 CE MET A 130 12.341 13.393 26.995 1.00 0.00 ATOM 987 O MET A 130 7.965 14.972 26.353 1.00 0.00 ATOM 988 C MET A 130 7.665 13.900 25.928 1.00 0.00 ATOM 989 N LYS A 131 6.625 13.736 25.138 1.00 0.00 ATOM 990 CA LYS A 131 5.780 14.861 24.788 1.00 0.00 ATOM 991 CB LYS A 131 4.980 14.559 23.540 1.00 0.00 ATOM 992 CG LYS A 131 3.495 14.766 23.708 1.00 0.00 ATOM 993 CD LYS A 131 2.860 15.467 22.496 1.00 0.00 ATOM 994 CE LYS A 131 2.607 14.520 21.371 1.00 0.00 ATOM 995 NZ LYS A 131 3.632 14.504 20.312 1.00 0.00 ATOM 996 O LYS A 131 4.123 16.247 25.681 1.00 0.00 ATOM 997 C LYS A 131 4.862 15.335 25.888 1.00 0.00 ATOM 998 N ASN 132 4.902 14.722 27.055 1.00 0.00 ATOM 999 CA ASN 132 3.700 14.535 27.831 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 T0307.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.534 # GDT_score = -19.084 # GDT_score(maxd=8.000,maxw=2.900)= -17.126 # GDT_score(maxd=8.000,maxw=3.200)= -16.737 # GDT_score(maxd=8.000,maxw=3.500)= -16.392 # GDT_score(maxd=10.000,maxw=3.800)= -18.165 # GDT_score(maxd=10.000,maxw=4.000)= -17.848 # GDT_score(maxd=10.000,maxw=4.200)= -17.531 # GDT_score(maxd=12.000,maxw=4.300)= -19.505 # GDT_score(maxd=12.000,maxw=4.500)= -19.129 # GDT_score(maxd=12.000,maxw=4.700)= -18.739 # GDT_score(maxd=14.000,maxw=5.200)= -19.617 # GDT_score(maxd=14.000,maxw=5.500)= -19.034 # command:# ReadConformPDB reading from PDB file T0307.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.893 # GDT_score = -18.702 # GDT_score(maxd=8.000,maxw=2.900)= -17.768 # GDT_score(maxd=8.000,maxw=3.200)= -17.207 # GDT_score(maxd=8.000,maxw=3.500)= -16.630 # GDT_score(maxd=10.000,maxw=3.800)= -18.301 # GDT_score(maxd=10.000,maxw=4.000)= -17.876 # GDT_score(maxd=10.000,maxw=4.200)= -17.437 # GDT_score(maxd=12.000,maxw=4.300)= -19.298 # GDT_score(maxd=12.000,maxw=4.500)= -18.820 # GDT_score(maxd=12.000,maxw=4.700)= -18.376 # GDT_score(maxd=14.000,maxw=5.200)= -19.217 # GDT_score(maxd=14.000,maxw=5.500)= -18.569 # command:# ReadConformPDB reading from PDB file T0307.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0307.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0307.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0307 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 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try21-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 T0307.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try24-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 14 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try7-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try8-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0307.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0307.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file edit2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file edit3.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file edit9.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_714368698.pdb -s /var/tmp/to_scwrl_714368698.seq -o /var/tmp/from_scwrl_714368698.pdb > /var/tmp/scwrl_714368698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_714368698.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1031983224.pdb -s /var/tmp/to_scwrl_1031983224.seq -o /var/tmp/from_scwrl_1031983224.pdb > /var/tmp/scwrl_1031983224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031983224.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1258492176.pdb -s /var/tmp/to_scwrl_1258492176.seq -o /var/tmp/from_scwrl_1258492176.pdb > /var/tmp/scwrl_1258492176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258492176.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1812823059.pdb -s /var/tmp/to_scwrl_1812823059.seq -o /var/tmp/from_scwrl_1812823059.pdb > /var/tmp/scwrl_1812823059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812823059.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1557290970.pdb -s /var/tmp/to_scwrl_1557290970.seq -o /var/tmp/from_scwrl_1557290970.pdb > /var/tmp/scwrl_1557290970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557290970.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1179959735.pdb -s /var/tmp/to_scwrl_1179959735.seq -o /var/tmp/from_scwrl_1179959735.pdb > /var/tmp/scwrl_1179959735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1179959735.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_803602357.pdb -s /var/tmp/to_scwrl_803602357.seq -o /var/tmp/from_scwrl_803602357.pdb > /var/tmp/scwrl_803602357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803602357.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_535583665.pdb -s /var/tmp/to_scwrl_535583665.seq -o /var/tmp/from_scwrl_535583665.pdb > /var/tmp/scwrl_535583665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535583665.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 108 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_459304777.pdb -s /var/tmp/to_scwrl_459304777.seq -o /var/tmp/from_scwrl_459304777.pdb > /var/tmp/scwrl_459304777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_459304777.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 108 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1548542050.pdb -s /var/tmp/to_scwrl_1548542050.seq -o /var/tmp/from_scwrl_1548542050.pdb > /var/tmp/scwrl_1548542050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1548542050.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 107 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1731987115.pdb -s /var/tmp/to_scwrl_1731987115.seq -o /var/tmp/from_scwrl_1731987115.pdb > /var/tmp/scwrl_1731987115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1731987115.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 114 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_85858389.pdb -s /var/tmp/to_scwrl_85858389.seq -o /var/tmp/from_scwrl_85858389.pdb > /var/tmp/scwrl_85858389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85858389.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_715671815.pdb -s /var/tmp/to_scwrl_715671815.seq -o /var/tmp/from_scwrl_715671815.pdb > /var/tmp/scwrl_715671815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_715671815.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 114 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1541298893.pdb -s /var/tmp/to_scwrl_1541298893.seq -o /var/tmp/from_scwrl_1541298893.pdb > /var/tmp/scwrl_1541298893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1541298893.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 129 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_549236252.pdb -s /var/tmp/to_scwrl_549236252.seq -o /var/tmp/from_scwrl_549236252.pdb > /var/tmp/scwrl_549236252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_549236252.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 106 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1430204574.pdb -s /var/tmp/to_scwrl_1430204574.seq -o /var/tmp/from_scwrl_1430204574.pdb > /var/tmp/scwrl_1430204574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430204574.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 113 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_100288175.pdb -s /var/tmp/to_scwrl_100288175.seq -o /var/tmp/from_scwrl_100288175.pdb > /var/tmp/scwrl_100288175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100288175.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 104 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_133853193.pdb -s /var/tmp/to_scwrl_133853193.seq -o /var/tmp/from_scwrl_133853193.pdb > /var/tmp/scwrl_133853193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_133853193.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 132 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_22325944.pdb -s /var/tmp/to_scwrl_22325944.seq -o /var/tmp/from_scwrl_22325944.pdb > /var/tmp/scwrl_22325944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_22325944.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 # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1842960236.pdb -s /var/tmp/to_scwrl_1842960236.seq -o /var/tmp/from_scwrl_1842960236.pdb > /var/tmp/scwrl_1842960236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1842960236.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 132 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_533219644.pdb -s /var/tmp/to_scwrl_533219644.seq -o /var/tmp/from_scwrl_533219644.pdb > /var/tmp/scwrl_533219644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_533219644.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1287556115.pdb -s /var/tmp/to_scwrl_1287556115.seq -o /var/tmp/from_scwrl_1287556115.pdb > /var/tmp/scwrl_1287556115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287556115.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 132 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1335554655.pdb -s /var/tmp/to_scwrl_1335554655.seq -o /var/tmp/from_scwrl_1335554655.pdb > /var/tmp/scwrl_1335554655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1335554655.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 128 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_234334519.pdb -s /var/tmp/to_scwrl_234334519.seq -o /var/tmp/from_scwrl_234334519.pdb > /var/tmp/scwrl_234334519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234334519.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1480318058.pdb -s /var/tmp/to_scwrl_1480318058.seq -o /var/tmp/from_scwrl_1480318058.pdb > /var/tmp/scwrl_1480318058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480318058.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 128 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_419476226.pdb -s /var/tmp/to_scwrl_419476226.seq -o /var/tmp/from_scwrl_419476226.pdb > /var/tmp/scwrl_419476226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419476226.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 130 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1721209216.pdb -s /var/tmp/to_scwrl_1721209216.seq -o /var/tmp/from_scwrl_1721209216.pdb > /var/tmp/scwrl_1721209216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1721209216.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 119 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_2103859953.pdb -s /var/tmp/to_scwrl_2103859953.seq -o /var/tmp/from_scwrl_2103859953.pdb > /var/tmp/scwrl_2103859953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103859953.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 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1712045295.pdb -s /var/tmp/to_scwrl_1712045295.seq -o /var/tmp/from_scwrl_1712045295.pdb > /var/tmp/scwrl_1712045295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712045295.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 T0307 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1869981206.pdb -s /var/tmp/to_scwrl_1869981206.seq -o /var/tmp/from_scwrl_1869981206.pdb > /var/tmp/scwrl_1869981206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869981206.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 T0307 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_573543142.pdb -s /var/tmp/to_scwrl_573543142.seq -o /var/tmp/from_scwrl_573543142.pdb > /var/tmp/scwrl_573543142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_573543142.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 T0307 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_278930346.pdb -s /var/tmp/to_scwrl_278930346.seq -o /var/tmp/from_scwrl_278930346.pdb > /var/tmp/scwrl_278930346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_278930346.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_754480783.pdb -s /var/tmp/to_scwrl_754480783.seq -o /var/tmp/from_scwrl_754480783.pdb > /var/tmp/scwrl_754480783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754480783.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 T0307 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1832035318.pdb -s /var/tmp/to_scwrl_1832035318.seq -o /var/tmp/from_scwrl_1832035318.pdb > /var/tmp/scwrl_1832035318.log Error: can't open any of /var/tmp/from_scwrl_1832035318.pdb or /var/tmp/from_scwrl_1832035318_b.pdb or /var/tmp/from_scwrl_1832035318_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 T0307 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_2091753406.pdb -s /var/tmp/to_scwrl_2091753406.seq -o /var/tmp/from_scwrl_2091753406.pdb > /var/tmp/scwrl_2091753406.log Error: can't open any of /var/tmp/from_scwrl_2091753406.pdb or /var/tmp/from_scwrl_2091753406_b.pdb or /var/tmp/from_scwrl_2091753406_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 T0307 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_164288106.pdb -s /var/tmp/to_scwrl_164288106.seq -o /var/tmp/from_scwrl_164288106.pdb > /var/tmp/scwrl_164288106.log Error: can't open any of /var/tmp/from_scwrl_164288106.pdb or /var/tmp/from_scwrl_164288106_b.pdb or /var/tmp/from_scwrl_164288106_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 T0307 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_864511407.pdb -s /var/tmp/to_scwrl_864511407.seq -o /var/tmp/from_scwrl_864511407.pdb > /var/tmp/scwrl_864511407.log Error: can't open any of /var/tmp/from_scwrl_864511407.pdb or /var/tmp/from_scwrl_864511407_b.pdb or /var/tmp/from_scwrl_864511407_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 T0307 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_747872116.pdb -s /var/tmp/to_scwrl_747872116.seq -o /var/tmp/from_scwrl_747872116.pdb > /var/tmp/scwrl_747872116.log Error: can't open any of /var/tmp/from_scwrl_747872116.pdb or /var/tmp/from_scwrl_747872116_b.pdb or /var/tmp/from_scwrl_747872116_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 128 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_699871772.pdb -s /var/tmp/to_scwrl_699871772.seq -o /var/tmp/from_scwrl_699871772.pdb > /var/tmp/scwrl_699871772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_699871772.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 125 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1323816183.pdb -s /var/tmp/to_scwrl_1323816183.seq -o /var/tmp/from_scwrl_1323816183.pdb > /var/tmp/scwrl_1323816183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323816183.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_148930519.pdb -s /var/tmp/to_scwrl_148930519.seq -o /var/tmp/from_scwrl_148930519.pdb > /var/tmp/scwrl_148930519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_148930519.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_284375240.pdb -s /var/tmp/to_scwrl_284375240.seq -o /var/tmp/from_scwrl_284375240.pdb > /var/tmp/scwrl_284375240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284375240.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1409674572.pdb -s /var/tmp/to_scwrl_1409674572.seq -o /var/tmp/from_scwrl_1409674572.pdb > /var/tmp/scwrl_1409674572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1409674572.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 130 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_864602334.pdb -s /var/tmp/to_scwrl_864602334.seq -o /var/tmp/from_scwrl_864602334.pdb > /var/tmp/scwrl_864602334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_864602334.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1825674134.pdb -s /var/tmp/to_scwrl_1825674134.seq -o /var/tmp/from_scwrl_1825674134.pdb > /var/tmp/scwrl_1825674134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1825674134.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1958910825.pdb -s /var/tmp/to_scwrl_1958910825.seq -o /var/tmp/from_scwrl_1958910825.pdb > /var/tmp/scwrl_1958910825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1958910825.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 123 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_147323261.pdb -s /var/tmp/to_scwrl_147323261.seq -o /var/tmp/from_scwrl_147323261.pdb > /var/tmp/scwrl_147323261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147323261.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1925962309.pdb -s /var/tmp/to_scwrl_1925962309.seq -o /var/tmp/from_scwrl_1925962309.pdb > /var/tmp/scwrl_1925962309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925962309.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 125 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_2092764018.pdb -s /var/tmp/to_scwrl_2092764018.seq -o /var/tmp/from_scwrl_2092764018.pdb > /var/tmp/scwrl_2092764018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2092764018.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 126 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_169649205.pdb -s /var/tmp/to_scwrl_169649205.seq -o /var/tmp/from_scwrl_169649205.pdb > /var/tmp/scwrl_169649205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169649205.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 128 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1621438898.pdb -s /var/tmp/to_scwrl_1621438898.seq -o /var/tmp/from_scwrl_1621438898.pdb > /var/tmp/scwrl_1621438898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621438898.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 127 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_478500015.pdb -s /var/tmp/to_scwrl_478500015.seq -o /var/tmp/from_scwrl_478500015.pdb > /var/tmp/scwrl_478500015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478500015.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 108 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1457205320.pdb -s /var/tmp/to_scwrl_1457205320.seq -o /var/tmp/from_scwrl_1457205320.pdb > /var/tmp/scwrl_1457205320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457205320.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_809509908.pdb -s /var/tmp/to_scwrl_809509908.seq -o /var/tmp/from_scwrl_809509908.pdb > /var/tmp/scwrl_809509908.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_809509908.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_712834534.pdb -s /var/tmp/to_scwrl_712834534.seq -o /var/tmp/from_scwrl_712834534.pdb > /var/tmp/scwrl_712834534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712834534.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_790039732.pdb -s /var/tmp/to_scwrl_790039732.seq -o /var/tmp/from_scwrl_790039732.pdb > /var/tmp/scwrl_790039732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790039732.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1228986133.pdb -s /var/tmp/to_scwrl_1228986133.seq -o /var/tmp/from_scwrl_1228986133.pdb > /var/tmp/scwrl_1228986133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228986133.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_286560104.pdb -s /var/tmp/to_scwrl_286560104.seq -o /var/tmp/from_scwrl_286560104.pdb > /var/tmp/scwrl_286560104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_286560104.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_746416039.pdb -s /var/tmp/to_scwrl_746416039.seq -o /var/tmp/from_scwrl_746416039.pdb > /var/tmp/scwrl_746416039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746416039.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_793547782.pdb -s /var/tmp/to_scwrl_793547782.seq -o /var/tmp/from_scwrl_793547782.pdb > /var/tmp/scwrl_793547782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793547782.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_9057663.pdb -s /var/tmp/to_scwrl_9057663.seq -o /var/tmp/from_scwrl_9057663.pdb > /var/tmp/scwrl_9057663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_9057663.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1319959180.pdb -s /var/tmp/to_scwrl_1319959180.seq -o /var/tmp/from_scwrl_1319959180.pdb > /var/tmp/scwrl_1319959180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319959180.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 T0307 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1072478129.pdb -s /var/tmp/to_scwrl_1072478129.seq -o /var/tmp/from_scwrl_1072478129.pdb > /var/tmp/scwrl_1072478129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072478129.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 116 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_763538447.pdb -s /var/tmp/to_scwrl_763538447.seq -o /var/tmp/from_scwrl_763538447.pdb > /var/tmp/scwrl_763538447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_763538447.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1004510852.pdb -s /var/tmp/to_scwrl_1004510852.seq -o /var/tmp/from_scwrl_1004510852.pdb > /var/tmp/scwrl_1004510852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1004510852.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 132 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1016747888.pdb -s /var/tmp/to_scwrl_1016747888.seq -o /var/tmp/from_scwrl_1016747888.pdb > /var/tmp/scwrl_1016747888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016747888.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 127 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_927826553.pdb -s /var/tmp/to_scwrl_927826553.seq -o /var/tmp/from_scwrl_927826553.pdb > /var/tmp/scwrl_927826553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927826553.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 127 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1869022258.pdb -s /var/tmp/to_scwrl_1869022258.seq -o /var/tmp/from_scwrl_1869022258.pdb > /var/tmp/scwrl_1869022258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869022258.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 117 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1764620003.pdb -s /var/tmp/to_scwrl_1764620003.seq -o /var/tmp/from_scwrl_1764620003.pdb > /var/tmp/scwrl_1764620003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1764620003.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 79 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1627698324.pdb -s /var/tmp/to_scwrl_1627698324.seq -o /var/tmp/from_scwrl_1627698324.pdb > /var/tmp/scwrl_1627698324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1627698324.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1045354795.pdb -s /var/tmp/to_scwrl_1045354795.seq -o /var/tmp/from_scwrl_1045354795.pdb > /var/tmp/scwrl_1045354795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1045354795.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 T0307 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1913550523.pdb -s /var/tmp/to_scwrl_1913550523.seq -o /var/tmp/from_scwrl_1913550523.pdb > /var/tmp/scwrl_1913550523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913550523.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 119 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1912073565.pdb -s /var/tmp/to_scwrl_1912073565.seq -o /var/tmp/from_scwrl_1912073565.pdb > /var/tmp/scwrl_1912073565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912073565.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 T0307 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_307545720.pdb -s /var/tmp/to_scwrl_307545720.seq -o /var/tmp/from_scwrl_307545720.pdb > /var/tmp/scwrl_307545720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_307545720.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_630669210.pdb -s /var/tmp/to_scwrl_630669210.seq -o /var/tmp/from_scwrl_630669210.pdb > /var/tmp/scwrl_630669210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630669210.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 T0307 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1590264052.pdb -s /var/tmp/to_scwrl_1590264052.seq -o /var/tmp/from_scwrl_1590264052.pdb > /var/tmp/scwrl_1590264052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590264052.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 T0307 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_118972898.pdb -s /var/tmp/to_scwrl_118972898.seq -o /var/tmp/from_scwrl_118972898.pdb > /var/tmp/scwrl_118972898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_118972898.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_777992472.pdb -s /var/tmp/to_scwrl_777992472.seq -o /var/tmp/from_scwrl_777992472.pdb > /var/tmp/scwrl_777992472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_777992472.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1368742714.pdb -s /var/tmp/to_scwrl_1368742714.seq -o /var/tmp/from_scwrl_1368742714.pdb > /var/tmp/scwrl_1368742714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1368742714.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_64253269.pdb -s /var/tmp/to_scwrl_64253269.seq -o /var/tmp/from_scwrl_64253269.pdb > /var/tmp/scwrl_64253269.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_64253269.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 130 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_947641677.pdb -s /var/tmp/to_scwrl_947641677.seq -o /var/tmp/from_scwrl_947641677.pdb > /var/tmp/scwrl_947641677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_947641677.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_842697967.pdb -s /var/tmp/to_scwrl_842697967.seq -o /var/tmp/from_scwrl_842697967.pdb > /var/tmp/scwrl_842697967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842697967.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_542753284.pdb -s /var/tmp/to_scwrl_542753284.seq -o /var/tmp/from_scwrl_542753284.pdb > /var/tmp/scwrl_542753284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542753284.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_257363351.pdb -s /var/tmp/to_scwrl_257363351.seq -o /var/tmp/from_scwrl_257363351.pdb > /var/tmp/scwrl_257363351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257363351.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1652207874.pdb -s /var/tmp/to_scwrl_1652207874.seq -o /var/tmp/from_scwrl_1652207874.pdb > /var/tmp/scwrl_1652207874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1652207874.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1255587818.pdb -s /var/tmp/to_scwrl_1255587818.seq -o /var/tmp/from_scwrl_1255587818.pdb > /var/tmp/scwrl_1255587818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255587818.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 73 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1047403083.pdb -s /var/tmp/to_scwrl_1047403083.seq -o /var/tmp/from_scwrl_1047403083.pdb > /var/tmp/scwrl_1047403083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047403083.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_733710361.pdb -s /var/tmp/to_scwrl_733710361.seq -o /var/tmp/from_scwrl_733710361.pdb > /var/tmp/scwrl_733710361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_733710361.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 66 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1542147922.pdb -s /var/tmp/to_scwrl_1542147922.seq -o /var/tmp/from_scwrl_1542147922.pdb > /var/tmp/scwrl_1542147922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1542147922.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 66 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1793819121.pdb -s /var/tmp/to_scwrl_1793819121.seq -o /var/tmp/from_scwrl_1793819121.pdb > /var/tmp/scwrl_1793819121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793819121.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 116 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1527258142.pdb -s /var/tmp/to_scwrl_1527258142.seq -o /var/tmp/from_scwrl_1527258142.pdb > /var/tmp/scwrl_1527258142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1527258142.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 T0307 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1551205585.pdb -s /var/tmp/to_scwrl_1551205585.seq -o /var/tmp/from_scwrl_1551205585.pdb > /var/tmp/scwrl_1551205585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1551205585.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 T0307 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_966294655.pdb -s /var/tmp/to_scwrl_966294655.seq -o /var/tmp/from_scwrl_966294655.pdb > /var/tmp/scwrl_966294655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_966294655.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 T0307 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_452252624.pdb -s /var/tmp/to_scwrl_452252624.seq -o /var/tmp/from_scwrl_452252624.pdb > /var/tmp/scwrl_452252624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_452252624.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 T0307 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_167260385.pdb -s /var/tmp/to_scwrl_167260385.seq -o /var/tmp/from_scwrl_167260385.pdb > /var/tmp/scwrl_167260385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_167260385.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 T0307 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1970805506.pdb -s /var/tmp/to_scwrl_1970805506.seq -o /var/tmp/from_scwrl_1970805506.pdb > /var/tmp/scwrl_1970805506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1970805506.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1469000511.pdb -s /var/tmp/to_scwrl_1469000511.seq -o /var/tmp/from_scwrl_1469000511.pdb > /var/tmp/scwrl_1469000511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469000511.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 T0307 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1095086938.pdb -s /var/tmp/to_scwrl_1095086938.seq -o /var/tmp/from_scwrl_1095086938.pdb > /var/tmp/scwrl_1095086938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1095086938.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 T0307 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1692344117.pdb -s /var/tmp/to_scwrl_1692344117.seq -o /var/tmp/from_scwrl_1692344117.pdb > /var/tmp/scwrl_1692344117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692344117.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 T0307 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1086136868.pdb -s /var/tmp/to_scwrl_1086136868.seq -o /var/tmp/from_scwrl_1086136868.pdb > /var/tmp/scwrl_1086136868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1086136868.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 T0307 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_575301616.pdb -s /var/tmp/to_scwrl_575301616.seq -o /var/tmp/from_scwrl_575301616.pdb > /var/tmp/scwrl_575301616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575301616.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_590215265.pdb -s /var/tmp/to_scwrl_590215265.seq -o /var/tmp/from_scwrl_590215265.pdb > /var/tmp/scwrl_590215265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_590215265.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 121 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_852203745.pdb -s /var/tmp/to_scwrl_852203745.seq -o /var/tmp/from_scwrl_852203745.pdb > /var/tmp/scwrl_852203745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852203745.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 117 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_339891534.pdb -s /var/tmp/to_scwrl_339891534.seq -o /var/tmp/from_scwrl_339891534.pdb > /var/tmp/scwrl_339891534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_339891534.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 108 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_897760986.pdb -s /var/tmp/to_scwrl_897760986.seq -o /var/tmp/from_scwrl_897760986.pdb > /var/tmp/scwrl_897760986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_897760986.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 90 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1482872954.pdb -s /var/tmp/to_scwrl_1482872954.seq -o /var/tmp/from_scwrl_1482872954.pdb > /var/tmp/scwrl_1482872954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1482872954.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 131 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1930155586.pdb -s /var/tmp/to_scwrl_1930155586.seq -o /var/tmp/from_scwrl_1930155586.pdb > /var/tmp/scwrl_1930155586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1930155586.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 132 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1016733884.pdb -s /var/tmp/to_scwrl_1016733884.seq -o /var/tmp/from_scwrl_1016733884.pdb > /var/tmp/scwrl_1016733884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016733884.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 131 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_113381779.pdb -s /var/tmp/to_scwrl_113381779.seq -o /var/tmp/from_scwrl_113381779.pdb > /var/tmp/scwrl_113381779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113381779.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 132 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1151414654.pdb -s /var/tmp/to_scwrl_1151414654.seq -o /var/tmp/from_scwrl_1151414654.pdb > /var/tmp/scwrl_1151414654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1151414654.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1080987153.pdb -s /var/tmp/to_scwrl_1080987153.seq -o /var/tmp/from_scwrl_1080987153.pdb > /var/tmp/scwrl_1080987153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1080987153.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 128 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1061023457.pdb -s /var/tmp/to_scwrl_1061023457.seq -o /var/tmp/from_scwrl_1061023457.pdb > /var/tmp/scwrl_1061023457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061023457.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 128 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1994112621.pdb -s /var/tmp/to_scwrl_1994112621.seq -o /var/tmp/from_scwrl_1994112621.pdb > /var/tmp/scwrl_1994112621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1994112621.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 127 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1623740437.pdb -s /var/tmp/to_scwrl_1623740437.seq -o /var/tmp/from_scwrl_1623740437.pdb > /var/tmp/scwrl_1623740437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1623740437.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 126 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1318386807.pdb -s /var/tmp/to_scwrl_1318386807.seq -o /var/tmp/from_scwrl_1318386807.pdb > /var/tmp/scwrl_1318386807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1318386807.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 120 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1498836848.pdb -s /var/tmp/to_scwrl_1498836848.seq -o /var/tmp/from_scwrl_1498836848.pdb > /var/tmp/scwrl_1498836848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1498836848.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 120 ; scwrl -i /var/tmp/to_scwrl_731844609.pdb -s /var/tmp/to_scwrl_731844609.seq -o /var/tmp/from_scwrl_731844609.pdb > /var/tmp/scwrl_731844609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_731844609.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 120 ; scwrl -i /var/tmp/to_scwrl_218306243.pdb -s /var/tmp/to_scwrl_218306243.seq -o /var/tmp/from_scwrl_218306243.pdb > /var/tmp/scwrl_218306243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_218306243.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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_85063562.pdb -s /var/tmp/to_scwrl_85063562.seq -o /var/tmp/from_scwrl_85063562.pdb > /var/tmp/scwrl_85063562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85063562.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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_126508884.pdb -s /var/tmp/to_scwrl_126508884.seq -o /var/tmp/from_scwrl_126508884.pdb > /var/tmp/scwrl_126508884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_126508884.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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_2012125365.pdb -s /var/tmp/to_scwrl_2012125365.seq -o /var/tmp/from_scwrl_2012125365.pdb > /var/tmp/scwrl_2012125365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2012125365.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 T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1612321704.pdb -s /var/tmp/to_scwrl_1612321704.seq -o /var/tmp/from_scwrl_1612321704.pdb > /var/tmp/scwrl_1612321704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612321704.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 T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1677714470.pdb -s /var/tmp/to_scwrl_1677714470.seq -o /var/tmp/from_scwrl_1677714470.pdb > /var/tmp/scwrl_1677714470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1677714470.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 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_830936373.pdb -s /var/tmp/to_scwrl_830936373.seq -o /var/tmp/from_scwrl_830936373.pdb > /var/tmp/scwrl_830936373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830936373.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_2064574329.pdb -s /var/tmp/to_scwrl_2064574329.seq -o /var/tmp/from_scwrl_2064574329.pdb > /var/tmp/scwrl_2064574329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2064574329.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1844974855.pdb -s /var/tmp/to_scwrl_1844974855.seq -o /var/tmp/from_scwrl_1844974855.pdb > /var/tmp/scwrl_1844974855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1844974855.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_654258233.pdb -s /var/tmp/to_scwrl_654258233.seq -o /var/tmp/from_scwrl_654258233.pdb > /var/tmp/scwrl_654258233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654258233.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 T0307 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1386091193.pdb -s /var/tmp/to_scwrl_1386091193.seq -o /var/tmp/from_scwrl_1386091193.pdb > /var/tmp/scwrl_1386091193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386091193.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 T0307 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_792578147.pdb -s /var/tmp/to_scwrl_792578147.seq -o /var/tmp/from_scwrl_792578147.pdb > /var/tmp/scwrl_792578147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792578147.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 T0307 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_199118703.pdb -s /var/tmp/to_scwrl_199118703.seq -o /var/tmp/from_scwrl_199118703.pdb > /var/tmp/scwrl_199118703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_199118703.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 T0307 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_324744415.pdb -s /var/tmp/to_scwrl_324744415.seq -o /var/tmp/from_scwrl_324744415.pdb > /var/tmp/scwrl_324744415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324744415.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 T0307 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1367879763.pdb -s /var/tmp/to_scwrl_1367879763.seq -o /var/tmp/from_scwrl_1367879763.pdb > /var/tmp/scwrl_1367879763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1367879763.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_789333969.pdb -s /var/tmp/to_scwrl_789333969.seq -o /var/tmp/from_scwrl_789333969.pdb > /var/tmp/scwrl_789333969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_789333969.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1176948159.pdb -s /var/tmp/to_scwrl_1176948159.seq -o /var/tmp/from_scwrl_1176948159.pdb > /var/tmp/scwrl_1176948159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176948159.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1707771297.pdb -s /var/tmp/to_scwrl_1707771297.seq -o /var/tmp/from_scwrl_1707771297.pdb > /var/tmp/scwrl_1707771297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1707771297.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1687094954.pdb -s /var/tmp/to_scwrl_1687094954.seq -o /var/tmp/from_scwrl_1687094954.pdb > /var/tmp/scwrl_1687094954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687094954.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_512337468.pdb -s /var/tmp/to_scwrl_512337468.seq -o /var/tmp/from_scwrl_512337468.pdb > /var/tmp/scwrl_512337468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_512337468.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 101 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1490443237.pdb -s /var/tmp/to_scwrl_1490443237.seq -o /var/tmp/from_scwrl_1490443237.pdb > /var/tmp/scwrl_1490443237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490443237.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_556345191.pdb -s /var/tmp/to_scwrl_556345191.seq -o /var/tmp/from_scwrl_556345191.pdb > /var/tmp/scwrl_556345191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556345191.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_625719247.pdb -s /var/tmp/to_scwrl_625719247.seq -o /var/tmp/from_scwrl_625719247.pdb > /var/tmp/scwrl_625719247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625719247.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_494374245.pdb -s /var/tmp/to_scwrl_494374245.seq -o /var/tmp/from_scwrl_494374245.pdb > /var/tmp/scwrl_494374245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494374245.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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1637332344.pdb -s /var/tmp/to_scwrl_1637332344.seq -o /var/tmp/from_scwrl_1637332344.pdb > /var/tmp/scwrl_1637332344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1637332344.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 120 ; scwrl -i /var/tmp/to_scwrl_1686742703.pdb -s /var/tmp/to_scwrl_1686742703.seq -o /var/tmp/from_scwrl_1686742703.pdb > /var/tmp/scwrl_1686742703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1686742703.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 104 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_341003219.pdb -s /var/tmp/to_scwrl_341003219.seq -o /var/tmp/from_scwrl_341003219.pdb > /var/tmp/scwrl_341003219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_341003219.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 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1113589135.pdb -s /var/tmp/to_scwrl_1113589135.seq -o /var/tmp/from_scwrl_1113589135.pdb > /var/tmp/scwrl_1113589135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1113589135.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 119 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_857645864.pdb -s /var/tmp/to_scwrl_857645864.seq -o /var/tmp/from_scwrl_857645864.pdb > /var/tmp/scwrl_857645864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857645864.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 107 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1839840067.pdb -s /var/tmp/to_scwrl_1839840067.seq -o /var/tmp/from_scwrl_1839840067.pdb > /var/tmp/scwrl_1839840067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1839840067.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 120 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1845433744.pdb -s /var/tmp/to_scwrl_1845433744.seq -o /var/tmp/from_scwrl_1845433744.pdb > /var/tmp/scwrl_1845433744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845433744.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 118 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1075952107.pdb -s /var/tmp/to_scwrl_1075952107.seq -o /var/tmp/from_scwrl_1075952107.pdb > /var/tmp/scwrl_1075952107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1075952107.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 111 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1924903629.pdb -s /var/tmp/to_scwrl_1924903629.seq -o /var/tmp/from_scwrl_1924903629.pdb > /var/tmp/scwrl_1924903629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1924903629.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 106 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1971942629.pdb -s /var/tmp/to_scwrl_1971942629.seq -o /var/tmp/from_scwrl_1971942629.pdb > /var/tmp/scwrl_1971942629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1971942629.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 105 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_940593826.pdb -s /var/tmp/to_scwrl_940593826.seq -o /var/tmp/from_scwrl_940593826.pdb > /var/tmp/scwrl_940593826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_940593826.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 119 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1389741686.pdb -s /var/tmp/to_scwrl_1389741686.seq -o /var/tmp/from_scwrl_1389741686.pdb > /var/tmp/scwrl_1389741686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1389741686.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 117 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1502173452.pdb -s /var/tmp/to_scwrl_1502173452.seq -o /var/tmp/from_scwrl_1502173452.pdb > /var/tmp/scwrl_1502173452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1502173452.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 108 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1771530198.pdb -s /var/tmp/to_scwrl_1771530198.seq -o /var/tmp/from_scwrl_1771530198.pdb > /var/tmp/scwrl_1771530198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771530198.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 119 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1306832368.pdb -s /var/tmp/to_scwrl_1306832368.seq -o /var/tmp/from_scwrl_1306832368.pdb > /var/tmp/scwrl_1306832368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306832368.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 122 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1199664660.pdb -s /var/tmp/to_scwrl_1199664660.seq -o /var/tmp/from_scwrl_1199664660.pdb > /var/tmp/scwrl_1199664660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1199664660.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 101 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_278304784.pdb -s /var/tmp/to_scwrl_278304784.seq -o /var/tmp/from_scwrl_278304784.pdb > /var/tmp/scwrl_278304784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_278304784.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 12 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_545439916.pdb -s /var/tmp/to_scwrl_545439916.seq -o /var/tmp/from_scwrl_545439916.pdb > /var/tmp/scwrl_545439916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545439916.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 101 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1992242808.pdb -s /var/tmp/to_scwrl_1992242808.seq -o /var/tmp/from_scwrl_1992242808.pdb > /var/tmp/scwrl_1992242808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992242808.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_477423488.pdb -s /var/tmp/to_scwrl_477423488.seq -o /var/tmp/from_scwrl_477423488.pdb > /var/tmp/scwrl_477423488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_477423488.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 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_870184331.pdb -s /var/tmp/to_scwrl_870184331.seq -o /var/tmp/from_scwrl_870184331.pdb > /var/tmp/scwrl_870184331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_870184331.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1212638924.pdb -s /var/tmp/to_scwrl_1212638924.seq -o /var/tmp/from_scwrl_1212638924.pdb > /var/tmp/scwrl_1212638924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1212638924.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1266757456.pdb -s /var/tmp/to_scwrl_1266757456.seq -o /var/tmp/from_scwrl_1266757456.pdb > /var/tmp/scwrl_1266757456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266757456.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_2047132491.pdb -s /var/tmp/to_scwrl_2047132491.seq -o /var/tmp/from_scwrl_2047132491.pdb > /var/tmp/scwrl_2047132491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2047132491.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_772926575.pdb -s /var/tmp/to_scwrl_772926575.seq -o /var/tmp/from_scwrl_772926575.pdb > /var/tmp/scwrl_772926575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_772926575.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_806368764.pdb -s /var/tmp/to_scwrl_806368764.seq -o /var/tmp/from_scwrl_806368764.pdb > /var/tmp/scwrl_806368764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806368764.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_411986312.pdb -s /var/tmp/to_scwrl_411986312.seq -o /var/tmp/from_scwrl_411986312.pdb > /var/tmp/scwrl_411986312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_411986312.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_115886165.pdb -s /var/tmp/to_scwrl_115886165.seq -o /var/tmp/from_scwrl_115886165.pdb > /var/tmp/scwrl_115886165.log Error: can't open any of /var/tmp/from_scwrl_115886165.pdb or /var/tmp/from_scwrl_115886165_b.pdb or /var/tmp/from_scwrl_115886165_a.pdb Error: no new SCWRL conformation added # 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 T0307 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1362713954.pdb -s /var/tmp/to_scwrl_1362713954.seq -o /var/tmp/from_scwrl_1362713954.pdb > /var/tmp/scwrl_1362713954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1362713954.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1037705559.pdb -s /var/tmp/to_scwrl_1037705559.seq -o /var/tmp/from_scwrl_1037705559.pdb > /var/tmp/scwrl_1037705559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037705559.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_610260410.pdb -s /var/tmp/to_scwrl_610260410.seq -o /var/tmp/from_scwrl_610260410.pdb > /var/tmp/scwrl_610260410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_610260410.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_852562653.pdb -s /var/tmp/to_scwrl_852562653.seq -o /var/tmp/from_scwrl_852562653.pdb > /var/tmp/scwrl_852562653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852562653.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_576964616.pdb -s /var/tmp/to_scwrl_576964616.seq -o /var/tmp/from_scwrl_576964616.pdb > /var/tmp/scwrl_576964616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576964616.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_951263629.pdb -s /var/tmp/to_scwrl_951263629.seq -o /var/tmp/from_scwrl_951263629.pdb > /var/tmp/scwrl_951263629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951263629.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1966151788.pdb -s /var/tmp/to_scwrl_1966151788.seq -o /var/tmp/from_scwrl_1966151788.pdb > /var/tmp/scwrl_1966151788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966151788.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1434610479.pdb -s /var/tmp/to_scwrl_1434610479.seq -o /var/tmp/from_scwrl_1434610479.pdb > /var/tmp/scwrl_1434610479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434610479.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_643620049.pdb -s /var/tmp/to_scwrl_643620049.seq -o /var/tmp/from_scwrl_643620049.pdb > /var/tmp/scwrl_643620049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_643620049.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 T0307 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1664101885.pdb -s /var/tmp/to_scwrl_1664101885.seq -o /var/tmp/from_scwrl_1664101885.pdb > /var/tmp/scwrl_1664101885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1664101885.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_363078940.pdb -s /var/tmp/to_scwrl_363078940.seq -o /var/tmp/from_scwrl_363078940.pdb > /var/tmp/scwrl_363078940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363078940.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 86 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_421040031.pdb -s /var/tmp/to_scwrl_421040031.seq -o /var/tmp/from_scwrl_421040031.pdb > /var/tmp/scwrl_421040031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_421040031.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 84 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1488560867.pdb -s /var/tmp/to_scwrl_1488560867.seq -o /var/tmp/from_scwrl_1488560867.pdb > /var/tmp/scwrl_1488560867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1488560867.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 92 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1303672765.pdb -s /var/tmp/to_scwrl_1303672765.seq -o /var/tmp/from_scwrl_1303672765.pdb > /var/tmp/scwrl_1303672765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1303672765.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 93 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1810781718.pdb -s /var/tmp/to_scwrl_1810781718.seq -o /var/tmp/from_scwrl_1810781718.pdb > /var/tmp/scwrl_1810781718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1810781718.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_843250673.pdb -s /var/tmp/to_scwrl_843250673.seq -o /var/tmp/from_scwrl_843250673.pdb > /var/tmp/scwrl_843250673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_843250673.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 29 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_927719318.pdb -s /var/tmp/to_scwrl_927719318.seq -o /var/tmp/from_scwrl_927719318.pdb > /var/tmp/scwrl_927719318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927719318.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 116 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_970130440.pdb -s /var/tmp/to_scwrl_970130440.seq -o /var/tmp/from_scwrl_970130440.pdb > /var/tmp/scwrl_970130440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_970130440.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 101 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_2042915334.pdb -s /var/tmp/to_scwrl_2042915334.seq -o /var/tmp/from_scwrl_2042915334.pdb > /var/tmp/scwrl_2042915334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042915334.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 66 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1206024101.pdb -s /var/tmp/to_scwrl_1206024101.seq -o /var/tmp/from_scwrl_1206024101.pdb > /var/tmp/scwrl_1206024101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1206024101.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 117 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1515570355.pdb -s /var/tmp/to_scwrl_1515570355.seq -o /var/tmp/from_scwrl_1515570355.pdb > /var/tmp/scwrl_1515570355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1515570355.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1887674495.pdb -s /var/tmp/to_scwrl_1887674495.seq -o /var/tmp/from_scwrl_1887674495.pdb > /var/tmp/scwrl_1887674495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1887674495.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 116 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1683447589.pdb -s /var/tmp/to_scwrl_1683447589.seq -o /var/tmp/from_scwrl_1683447589.pdb > /var/tmp/scwrl_1683447589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683447589.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 100 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_238271040.pdb -s /var/tmp/to_scwrl_238271040.seq -o /var/tmp/from_scwrl_238271040.pdb > /var/tmp/scwrl_238271040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_238271040.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 118 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_952829773.pdb -s /var/tmp/to_scwrl_952829773.seq -o /var/tmp/from_scwrl_952829773.pdb > /var/tmp/scwrl_952829773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_952829773.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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_802721399.pdb -s /var/tmp/to_scwrl_802721399.seq -o /var/tmp/from_scwrl_802721399.pdb > /var/tmp/scwrl_802721399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_802721399.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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_137919884.pdb -s /var/tmp/to_scwrl_137919884.seq -o /var/tmp/from_scwrl_137919884.pdb > /var/tmp/scwrl_137919884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_137919884.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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1725756347.pdb -s /var/tmp/to_scwrl_1725756347.seq -o /var/tmp/from_scwrl_1725756347.pdb > /var/tmp/scwrl_1725756347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725756347.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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1609090162.pdb -s /var/tmp/to_scwrl_1609090162.seq -o /var/tmp/from_scwrl_1609090162.pdb > /var/tmp/scwrl_1609090162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1609090162.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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_549906196.pdb -s /var/tmp/to_scwrl_549906196.seq -o /var/tmp/from_scwrl_549906196.pdb > /var/tmp/scwrl_549906196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_549906196.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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1841642513.pdb -s /var/tmp/to_scwrl_1841642513.seq -o /var/tmp/from_scwrl_1841642513.pdb > /var/tmp/scwrl_1841642513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841642513.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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_824320471.pdb -s /var/tmp/to_scwrl_824320471.seq -o /var/tmp/from_scwrl_824320471.pdb > /var/tmp/scwrl_824320471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_824320471.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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1587611754.pdb -s /var/tmp/to_scwrl_1587611754.seq -o /var/tmp/from_scwrl_1587611754.pdb > /var/tmp/scwrl_1587611754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1587611754.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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_304419276.pdb -s /var/tmp/to_scwrl_304419276.seq -o /var/tmp/from_scwrl_304419276.pdb > /var/tmp/scwrl_304419276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_304419276.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 T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1676883123.pdb -s /var/tmp/to_scwrl_1676883123.seq -o /var/tmp/from_scwrl_1676883123.pdb > /var/tmp/scwrl_1676883123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1676883123.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_17092723.pdb -s /var/tmp/to_scwrl_17092723.seq -o /var/tmp/from_scwrl_17092723.pdb > /var/tmp/scwrl_17092723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_17092723.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1255682905.pdb -s /var/tmp/to_scwrl_1255682905.seq -o /var/tmp/from_scwrl_1255682905.pdb > /var/tmp/scwrl_1255682905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255682905.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 128 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1495551264.pdb -s /var/tmp/to_scwrl_1495551264.seq -o /var/tmp/from_scwrl_1495551264.pdb > /var/tmp/scwrl_1495551264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1495551264.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 118 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1451703203.pdb -s /var/tmp/to_scwrl_1451703203.seq -o /var/tmp/from_scwrl_1451703203.pdb > /var/tmp/scwrl_1451703203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1451703203.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 132 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1899302954.pdb -s /var/tmp/to_scwrl_1899302954.seq -o /var/tmp/from_scwrl_1899302954.pdb > /var/tmp/scwrl_1899302954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1899302954.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 119 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1012169503.pdb -s /var/tmp/to_scwrl_1012169503.seq -o /var/tmp/from_scwrl_1012169503.pdb > /var/tmp/scwrl_1012169503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012169503.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1814782143.pdb -s /var/tmp/to_scwrl_1814782143.seq -o /var/tmp/from_scwrl_1814782143.pdb > /var/tmp/scwrl_1814782143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1814782143.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 T0307 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_172859339.pdb -s /var/tmp/to_scwrl_172859339.seq -o /var/tmp/from_scwrl_172859339.pdb > /var/tmp/scwrl_172859339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_172859339.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_353246724.pdb -s /var/tmp/to_scwrl_353246724.seq -o /var/tmp/from_scwrl_353246724.pdb > /var/tmp/scwrl_353246724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353246724.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_970971263.pdb -s /var/tmp/to_scwrl_970971263.seq -o /var/tmp/from_scwrl_970971263.pdb > /var/tmp/scwrl_970971263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_970971263.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 T0307 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 120 ; scwrl -i /var/tmp/to_scwrl_1983641057.pdb -s /var/tmp/to_scwrl_1983641057.seq -o /var/tmp/from_scwrl_1983641057.pdb > /var/tmp/scwrl_1983641057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1983641057.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 T0307 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1196497396.pdb -s /var/tmp/to_scwrl_1196497396.seq -o /var/tmp/from_scwrl_1196497396.pdb > /var/tmp/scwrl_1196497396.log Error: can't open any of /var/tmp/from_scwrl_1196497396.pdb or /var/tmp/from_scwrl_1196497396_b.pdb or /var/tmp/from_scwrl_1196497396_a.pdb Error: no new SCWRL conformation added # 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 T0307 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1898690580.pdb -s /var/tmp/to_scwrl_1898690580.seq -o /var/tmp/from_scwrl_1898690580.pdb > /var/tmp/scwrl_1898690580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1898690580.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_806287850.pdb -s /var/tmp/to_scwrl_806287850.seq -o /var/tmp/from_scwrl_806287850.pdb > /var/tmp/scwrl_806287850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806287850.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1091929083.pdb -s /var/tmp/to_scwrl_1091929083.seq -o /var/tmp/from_scwrl_1091929083.pdb > /var/tmp/scwrl_1091929083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1091929083.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_957231035.pdb -s /var/tmp/to_scwrl_957231035.seq -o /var/tmp/from_scwrl_957231035.pdb > /var/tmp/scwrl_957231035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957231035.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_174374559.pdb -s /var/tmp/to_scwrl_174374559.seq -o /var/tmp/from_scwrl_174374559.pdb > /var/tmp/scwrl_174374559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_174374559.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_832119932.pdb -s /var/tmp/to_scwrl_832119932.seq -o /var/tmp/from_scwrl_832119932.pdb > /var/tmp/scwrl_832119932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_832119932.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_493194978.pdb -s /var/tmp/to_scwrl_493194978.seq -o /var/tmp/from_scwrl_493194978.pdb > /var/tmp/scwrl_493194978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493194978.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 117 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_412645599.pdb -s /var/tmp/to_scwrl_412645599.seq -o /var/tmp/from_scwrl_412645599.pdb > /var/tmp/scwrl_412645599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_412645599.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 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1784949704.pdb -s /var/tmp/to_scwrl_1784949704.seq -o /var/tmp/from_scwrl_1784949704.pdb > /var/tmp/scwrl_1784949704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784949704.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1295916376.pdb -s /var/tmp/to_scwrl_1295916376.seq -o /var/tmp/from_scwrl_1295916376.pdb > /var/tmp/scwrl_1295916376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1295916376.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 120 ; scwrl -i /var/tmp/to_scwrl_550565483.pdb -s /var/tmp/to_scwrl_550565483.seq -o /var/tmp/from_scwrl_550565483.pdb > /var/tmp/scwrl_550565483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550565483.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 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1363222405.pdb -s /var/tmp/to_scwrl_1363222405.seq -o /var/tmp/from_scwrl_1363222405.pdb > /var/tmp/scwrl_1363222405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363222405.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 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_757522893.pdb -s /var/tmp/to_scwrl_757522893.seq -o /var/tmp/from_scwrl_757522893.pdb > /var/tmp/scwrl_757522893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757522893.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 T0307 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 120 ; scwrl -i /var/tmp/to_scwrl_1100471678.pdb -s /var/tmp/to_scwrl_1100471678.seq -o /var/tmp/from_scwrl_1100471678.pdb > /var/tmp/scwrl_1100471678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1100471678.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1057381272.pdb -s /var/tmp/to_scwrl_1057381272.seq -o /var/tmp/from_scwrl_1057381272.pdb > /var/tmp/scwrl_1057381272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057381272.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 126 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1581843363.pdb -s /var/tmp/to_scwrl_1581843363.seq -o /var/tmp/from_scwrl_1581843363.pdb > /var/tmp/scwrl_1581843363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581843363.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 T0307 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_540599786.pdb -s /var/tmp/to_scwrl_540599786.seq -o /var/tmp/from_scwrl_540599786.pdb > /var/tmp/scwrl_540599786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_540599786.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 T0307 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1361800547.pdb -s /var/tmp/to_scwrl_1361800547.seq -o /var/tmp/from_scwrl_1361800547.pdb > /var/tmp/scwrl_1361800547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1361800547.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1111242839.pdb -s /var/tmp/to_scwrl_1111242839.seq -o /var/tmp/from_scwrl_1111242839.pdb > /var/tmp/scwrl_1111242839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1111242839.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 T0307 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_557692510.pdb -s /var/tmp/to_scwrl_557692510.seq -o /var/tmp/from_scwrl_557692510.pdb > /var/tmp/scwrl_557692510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_557692510.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 T0307 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_469999806.pdb -s /var/tmp/to_scwrl_469999806.seq -o /var/tmp/from_scwrl_469999806.pdb > /var/tmp/scwrl_469999806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_469999806.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_459310457.pdb -s /var/tmp/to_scwrl_459310457.seq -o /var/tmp/from_scwrl_459310457.pdb > /var/tmp/scwrl_459310457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_459310457.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_2009395713.pdb -s /var/tmp/to_scwrl_2009395713.seq -o /var/tmp/from_scwrl_2009395713.pdb > /var/tmp/scwrl_2009395713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2009395713.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 T0307 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_221819114.pdb -s /var/tmp/to_scwrl_221819114.seq -o /var/tmp/from_scwrl_221819114.pdb > /var/tmp/scwrl_221819114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_221819114.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1471479959.pdb -s /var/tmp/to_scwrl_1471479959.seq -o /var/tmp/from_scwrl_1471479959.pdb > /var/tmp/scwrl_1471479959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1471479959.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 T0307 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1676694209.pdb -s /var/tmp/to_scwrl_1676694209.seq -o /var/tmp/from_scwrl_1676694209.pdb > /var/tmp/scwrl_1676694209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1676694209.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 T0307 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_394678453.pdb -s /var/tmp/to_scwrl_394678453.seq -o /var/tmp/from_scwrl_394678453.pdb > /var/tmp/scwrl_394678453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394678453.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 T0307 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1824726683.pdb -s /var/tmp/to_scwrl_1824726683.seq -o /var/tmp/from_scwrl_1824726683.pdb > /var/tmp/scwrl_1824726683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1824726683.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 T0307 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_500181825.pdb -s /var/tmp/to_scwrl_500181825.seq -o /var/tmp/from_scwrl_500181825.pdb > /var/tmp/scwrl_500181825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_500181825.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 T0307 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_230835863.pdb -s /var/tmp/to_scwrl_230835863.seq -o /var/tmp/from_scwrl_230835863.pdb > /var/tmp/scwrl_230835863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230835863.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 T0307 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_873740434.pdb -s /var/tmp/to_scwrl_873740434.seq -o /var/tmp/from_scwrl_873740434.pdb > /var/tmp/scwrl_873740434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_873740434.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 T0307 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_251388758.pdb -s /var/tmp/to_scwrl_251388758.seq -o /var/tmp/from_scwrl_251388758.pdb > /var/tmp/scwrl_251388758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_251388758.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0307 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 120 ; scwrl -i /var/tmp/to_scwrl_1037123713.pdb -s /var/tmp/to_scwrl_1037123713.seq -o /var/tmp/from_scwrl_1037123713.pdb > /var/tmp/scwrl_1037123713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037123713.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 38.290 sec, elapsed time= 445.171 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 501.126 real_cost = 175.851 shub_TS1 costs 476.612 real_cost = 179.709 panther2_TS1-scwrl costs 996.620 real_cost = 348.512 panther2_TS1 costs 985.731 real_cost = 359.313 nFOLD_TS5-scwrl costs 617.798 real_cost = 256.007 nFOLD_TS5 costs 15795.812 real_cost = 304.896 nFOLD_TS4-scwrl costs 551.995 real_cost = 190.656 nFOLD_TS4 costs 21600.144 real_cost = 246.859 nFOLD_TS3-scwrl costs 456.542 real_cost = 203.268 nFOLD_TS3 costs 11356.727 real_cost = 279.000 nFOLD_TS2-scwrl costs 615.308 real_cost = 239.029 nFOLD_TS2 costs 3745.892 real_cost = 283.838 nFOLD_TS1-scwrl costs 484.136 real_cost = 217.347 nFOLD_TS1 costs 9931.846 real_cost = 273.985 mGen-3D_TS1-scwrl costs 710.566 real_cost = 253.505 mGen-3D_TS1 costs 19638.435 real_cost = 289.214 keasar-server_TS5-scwrl costs 414.362 real_cost = 247.737 keasar-server_TS5 costs 418.163 real_cost = 252.114 keasar-server_TS3-scwrl costs 453.157 real_cost = 187.121 keasar-server_TS3 costs 450.166 real_cost = 222.256 keasar-server_TS2-scwrl costs 413.724 real_cost = 227.447 keasar-server_TS2 costs 416.074 real_cost = 237.398 keasar-server_TS1-scwrl costs 428.195 real_cost = 230.289 keasar-server_TS1 costs 428.650 real_cost = 231.963 karypis.srv_TS5-scwrl costs 552.111 real_cost = 251.081 karypis.srv_TS5 costs 541.241 real_cost = 248.156 karypis.srv_TS4-scwrl costs 639.875 real_cost = 215.640 karypis.srv_TS4 costs 625.735 real_cost = 211.762 karypis.srv_TS3-scwrl costs 496.548 real_cost = 201.981 karypis.srv_TS3 costs 497.024 real_cost = 203.402 karypis.srv_TS2-scwrl costs 530.534 real_cost = 233.701 karypis.srv_TS2 costs 519.893 real_cost = 231.695 karypis.srv_TS1-scwrl costs 550.769 real_cost = 241.304 karypis.srv_TS1 costs 541.517 real_cost = 240.254 karypis.srv.4_TS5-scwrl costs 513.921 real_cost = 235.342 karypis.srv.4_TS5 costs 513.921 real_cost = 235.342 karypis.srv.4_TS4-scwrl costs 469.035 real_cost = 214.149 karypis.srv.4_TS4 costs 469.180 real_cost = 214.154 karypis.srv.4_TS3-scwrl costs 488.215 real_cost = 250.558 karypis.srv.4_TS3 costs 487.436 real_cost = 250.546 karypis.srv.4_TS2-scwrl costs 494.984 real_cost = 224.718 karypis.srv.4_TS2 costs 494.984 real_cost = 224.718 karypis.srv.4_TS1-scwrl costs 441.930 real_cost = 186.340 karypis.srv.4_TS1 costs 441.930 real_cost = 186.340 karypis.srv.2_TS5-scwrl costs 458.689 real_cost = 235.463 karypis.srv.2_TS5 costs 458.689 real_cost = 235.463 karypis.srv.2_TS4-scwrl costs 410.668 real_cost = 146.068 karypis.srv.2_TS4 costs 410.668 real_cost = 146.068 karypis.srv.2_TS3-scwrl costs 411.444 real_cost = 181.411 karypis.srv.2_TS3 costs 411.444 real_cost = 181.411 karypis.srv.2_TS2-scwrl costs 442.469 real_cost = 244.864 karypis.srv.2_TS2 costs 443.318 real_cost = 244.863 karypis.srv.2_TS1-scwrl costs 429.274 real_cost = 211.552 karypis.srv.2_TS1 costs 429.274 real_cost = 211.552 gtg_AL5-scwrl costs 1147.729 real_cost = 504.880 gtg_AL5 costs 8208.561 real_cost = 513.146 gtg_AL4-scwrl costs 1147.121 real_cost = 522.554 gtg_AL4 costs 29141.469 real_cost = 514.246 gtg_AL3-scwrl costs 1159.884 real_cost = 530.720 gtg_AL3 costs 51952.722 real_cost = 530.040 gtg_AL2-scwrl costs 1163.197 real_cost = 411.446 gtg_AL2 costs 12115.093 real_cost = 511.887 gtg_AL1-scwrl costs 1040.930 real_cost = 437.521 gtg_AL1 costs 18450.999 real_cost = 452.904 forecast-s_AL5-scwrl costs 523.936 real_cost = 230.066 forecast-s_AL5 costs 34939.297 real_cost = 320.139 forecast-s_AL4-scwrl costs 117823.744 real_cost = 352.283 forecast-s_AL3-scwrl costs 562.991 real_cost = 342.910 forecast-s_AL3 costs 164536.923 real_cost = 424.520 forecast-s_AL2-scwrl costs 413.764 real_cost = 309.607 forecast-s_AL2 costs 28243.158 real_cost = 407.341 forecast-s_AL1-scwrl costs 1041.634 real_cost = 449.118 forecast-s_AL1 costs 35776.423 real_cost = 449.118 beautshotbase_TS1-scwrl costs 474.200 real_cost = 163.946 beautshotbase_TS1 costs 455.265 real_cost = 162.896 beautshot_TS1-scwrl costs 472.869 real_cost = 210.924 beautshot_TS1 costs 471.041 real_cost = 210.346 Zhang-Server_TS5-scwrl costs 399.982 real_cost = 149.952 Zhang-Server_TS5 costs 414.846 real_cost = 158.709 Zhang-Server_TS4-scwrl costs 444.598 real_cost = 146.998 Zhang-Server_TS4 costs 455.070 real_cost = 159.203 Zhang-Server_TS3-scwrl costs 499.179 real_cost = 157.576 Zhang-Server_TS3 costs 487.727 real_cost = 163.403 Zhang-Server_TS2-scwrl costs 457.759 real_cost = 179.328 Zhang-Server_TS2 costs 459.480 real_cost = 187.521 Zhang-Server_TS1-scwrl costs 489.666 real_cost = 158.348 Zhang-Server_TS1 costs 493.839 real_cost = 167.680 UNI-EID_sfst_AL5-scwrl costs 637.680 real_cost = 255.305 UNI-EID_sfst_AL5 costs 28343.000 real_cost = 321.190 UNI-EID_sfst_AL4-scwrl costs 798.145 real_cost = 306.700 UNI-EID_sfst_AL4 costs 187942.390 real_cost = 341.017 UNI-EID_sfst_AL3-scwrl costs 810.365 real_cost = 339.784 UNI-EID_sfst_AL3 costs 35041.268 real_cost = 375.892 UNI-EID_sfst_AL2-scwrl costs 808.318 real_cost = 320.541 UNI-EID_sfst_AL2 costs 147258.931 real_cost = 350.996 UNI-EID_sfst_AL1-scwrl costs 704.866 real_cost = 290.157 UNI-EID_sfst_AL1 costs 133155.713 real_cost = 349.301 UNI-EID_expm_TS1-scwrl costs 760.790 real_cost = 271.787 UNI-EID_expm_TS1 costs 21173.762 real_cost = 321.337 UNI-EID_bnmx_TS5-scwrl costs 597.433 real_cost = 236.536 UNI-EID_bnmx_TS5 costs 31793.914 real_cost = 308.889 UNI-EID_bnmx_TS4-scwrl costs 596.213 real_cost = 236.690 UNI-EID_bnmx_TS4 costs 28533.997 real_cost = 309.835 UNI-EID_bnmx_TS3-scwrl costs 622.636 real_cost = 246.812 UNI-EID_bnmx_TS3 costs 177814.019 real_cost = 314.330 UNI-EID_bnmx_TS2-scwrl costs 575.430 real_cost = 224.116 UNI-EID_bnmx_TS2 costs 251650.135 real_cost = 299.419 UNI-EID_bnmx_TS1-scwrl costs 560.013 real_cost = 214.939 UNI-EID_bnmx_TS1 costs 131427.032 real_cost = 291.563 SPARKS2_TS5-scwrl costs 388.370 real_cost = 187.775 SPARKS2_TS5 costs 398.548 real_cost = 193.176 SPARKS2_TS4-scwrl costs 422.233 real_cost = 200.031 SPARKS2_TS4 costs 433.587 real_cost = 202.419 SPARKS2_TS3-scwrl costs 388.105 real_cost = 150.113 SPARKS2_TS3 costs 397.040 real_cost = 158.993 SPARKS2_TS2-scwrl costs 401.641 real_cost = 166.051 SPARKS2_TS2 costs 409.335 real_cost = 180.058 SPARKS2_TS1-scwrl costs 405.019 real_cost = 164.753 SPARKS2_TS1 costs 416.122 real_cost = 168.058 SP4_TS5-scwrl costs 425.882 real_cost = 168.354 SP4_TS5 costs 437.930 real_cost = 173.540 SP4_TS4-scwrl costs 428.979 real_cost = 196.217 SP4_TS4 costs 427.466 real_cost = 192.575 SP4_TS3-scwrl costs 397.055 real_cost = 148.868 SP4_TS3 costs 413.046 real_cost = 169.809 SP4_TS2-scwrl costs 403.403 real_cost = 155.927 SP4_TS2 costs 414.794 real_cost = 162.886 SP4_TS1-scwrl costs 422.468 real_cost = 172.303 SP4_TS1 costs 427.627 real_cost = 184.742 SP3_TS5-scwrl costs 481.431 real_cost = 252.631 SP3_TS5 costs 500.333 real_cost = 257.398 SP3_TS4-scwrl costs 400.138 real_cost = 175.849 SP3_TS4 costs 414.067 real_cost = 181.637 SP3_TS3-scwrl costs 422.468 real_cost = 172.303 SP3_TS3 costs 427.627 real_cost = 184.742 SP3_TS2-scwrl costs 401.228 real_cost = 210.155 SP3_TS2 costs 411.522 real_cost = 212.006 SP3_TS1-scwrl costs 405.152 real_cost = 147.994 SP3_TS1 costs 419.860 real_cost = 155.516 SAM_T06_server_TS5-scwrl costs 831.879 real_cost = 272.979 SAM_T06_server_TS5 costs 801.419 real_cost = 261.984 SAM_T06_server_TS4-scwrl costs 610.649 real_cost = 235.171 SAM_T06_server_TS4 costs 542.156 real_cost = 218.353 SAM_T06_server_TS3-scwrl costs 1083.955 real_cost = 462.864 SAM_T06_server_TS3 costs 937.937 real_cost = 397.393 SAM_T06_server_TS2-scwrl costs 763.579 real_cost = 303.681 SAM_T06_server_TS2 costs 721.339 real_cost = 292.508 SAM_T06_server_TS1-scwrl costs 337.236 real_cost = 125.912 SAM_T06_server_TS1 costs 332.595 real_cost = 122.050 SAM-T99_AL2-scwrl costs 976.505 real_cost = 367.684 SAM-T99_AL2 costs 29971.495 real_cost = 392.398 SAM-T99_AL1-scwrl costs 559.681 real_cost = 297.356 SAM-T99_AL1 costs 45000.061 real_cost = 372.214 SAM-T02_AL5-scwrl costs 831.271 real_cost = 317.714 SAM-T02_AL5 costs 251083.786 real_cost = 366.742 SAM-T02_AL4-scwrl costs 659.244 real_cost = 220.854 SAM-T02_AL4 costs 23409.952 real_cost = 283.735 SAM-T02_AL3-scwrl costs 765.244 real_cost = 286.315 SAM-T02_AL3 costs 57210.317 real_cost = 333.899 SAM-T02_AL2-scwrl costs 1890.008 real_cost = 415.257 SAM-T02_AL1-scwrl costs 682.700 real_cost = 237.815 SAM-T02_AL1 costs 61839.173 real_cost = 301.883 ROKKY_TS5-scwrl costs 430.982 real_cost = 175.861 ROKKY_TS5 costs 12693.125 real_cost = 281.932 ROKKY_TS4-scwrl costs 455.697 real_cost = 138.166 ROKKY_TS4 costs 22671.796 real_cost = 233.513 ROKKY_TS3-scwrl costs 434.686 real_cost = 175.916 ROKKY_TS3 costs 16897.812 real_cost = 276.847 ROKKY_TS2-scwrl costs 442.960 real_cost = 169.348 ROKKY_TS2 costs 21807.954 real_cost = 265.899 ROKKY_TS1-scwrl costs 432.927 real_cost = 126.846 ROKKY_TS1 costs 14155.861 real_cost = 223.316 ROBETTA_TS5-scwrl costs 365.221 real_cost = 195.415 ROBETTA_TS5 costs 363.437 real_cost = 200.806 ROBETTA_TS4-scwrl costs 374.194 real_cost = 179.345 ROBETTA_TS4 costs 371.118 real_cost = 179.242 ROBETTA_TS3-scwrl costs 365.129 real_cost = 170.813 ROBETTA_TS3 costs 362.564 real_cost = 173.259 ROBETTA_TS2-scwrl costs 354.129 real_cost = 158.749 ROBETTA_TS2 costs 350.933 real_cost = 160.317 ROBETTA_TS1-scwrl costs 355.890 real_cost = 152.409 ROBETTA_TS1 costs 351.734 real_cost = 155.578 RAPTOR_TS5-scwrl costs 438.861 real_cost = 174.395 RAPTOR_TS5 costs 441.878 real_cost = 182.916 RAPTOR_TS4-scwrl costs 425.877 real_cost = 197.102 RAPTOR_TS4 costs 430.010 real_cost = 208.689 RAPTOR_TS3-scwrl costs 427.531 real_cost = 203.338 RAPTOR_TS3 costs 432.240 real_cost = 207.790 RAPTOR_TS2-scwrl costs 418.103 real_cost = 203.504 RAPTOR_TS2 costs 425.794 real_cost = 203.145 RAPTOR_TS1-scwrl costs 510.462 real_cost = 189.650 RAPTOR_TS1 costs 492.928 real_cost = 190.299 RAPTORESS_TS5-scwrl costs 454.474 real_cost = 244.740 RAPTORESS_TS5 costs 453.467 real_cost = 251.719 RAPTORESS_TS4-scwrl costs 419.532 real_cost = 191.973 RAPTORESS_TS4 costs 423.024 real_cost = 198.850 RAPTORESS_TS3-scwrl costs 398.516 real_cost = 216.461 RAPTORESS_TS3 costs 402.987 real_cost = 222.409 RAPTORESS_TS2-scwrl costs 450.930 real_cost = 233.675 RAPTORESS_TS2 costs 448.515 real_cost = 235.896 RAPTORESS_TS1-scwrl costs 422.828 real_cost = 204.242 RAPTORESS_TS1 costs 425.074 real_cost = 211.121 RAPTOR-ACE_TS5-scwrl costs 398.345 real_cost = 174.264 RAPTOR-ACE_TS5 costs 402.541 real_cost = 183.731 RAPTOR-ACE_TS4-scwrl costs 400.247 real_cost = 174.619 RAPTOR-ACE_TS4 costs 412.352 real_cost = 175.177 RAPTOR-ACE_TS3-scwrl costs 421.200 real_cost = 204.082 RAPTOR-ACE_TS3 costs 462.510 real_cost = 206.108 RAPTOR-ACE_TS2-scwrl costs 416.407 real_cost = 200.687 RAPTOR-ACE_TS2 costs 424.989 real_cost = 202.934 RAPTOR-ACE_TS1-scwrl costs 401.228 real_cost = 210.155 RAPTOR-ACE_TS1 costs 411.522 real_cost = 212.006 Pmodeller6_TS5-scwrl costs 542.470 real_cost = 195.977 Pmodeller6_TS5 costs 523.191 real_cost = 192.706 Pmodeller6_TS4-scwrl costs 532.999 real_cost = 194.314 Pmodeller6_TS4 costs 514.227 real_cost = 190.604 Pmodeller6_TS3-scwrl costs 546.391 real_cost = 195.566 Pmodeller6_TS3 costs 525.269 real_cost = 190.826 Pmodeller6_TS2-scwrl costs 355.890 real_cost = 152.409 Pmodeller6_TS2 costs 351.734 real_cost = 155.578 Pmodeller6_TS1-scwrl costs 365.129 real_cost = 170.813 Pmodeller6_TS1 costs 362.564 real_cost = 173.259 Phyre-2_TS5-scwrl costs 424.711 real_cost = 218.161 Phyre-2_TS5 costs 448.888 real_cost = 215.725 Phyre-2_TS4-scwrl costs 424.724 real_cost = 197.975 Phyre-2_TS4 costs 449.805 real_cost = 197.353 Phyre-2_TS3-scwrl costs 455.421 real_cost = 256.820 Phyre-2_TS3 costs 477.029 real_cost = 260.238 Phyre-2_TS2-scwrl costs 474.317 real_cost = 265.223 Phyre-2_TS2 costs 495.351 real_cost = 268.175 Phyre-2_TS1-scwrl costs 453.332 real_cost = 256.198 Phyre-2_TS1 costs 475.258 real_cost = 263.825 Phyre-1_TS1-scwrl costs 670.450 real_cost = 316.531 Phyre-1_TS1 costs 662.481 real_cost = 315.343 Pcons6_TS5-scwrl costs 533.872 real_cost = 189.267 Pcons6_TS5 costs 521.007 real_cost = 186.593 Pcons6_TS4-scwrl costs 552.766 real_cost = 184.934 Pcons6_TS4 costs 533.446 real_cost = 180.013 Pcons6_TS3-scwrl costs 539.646 real_cost = 186.791 Pcons6_TS3 costs 526.548 real_cost = 183.484 Pcons6_TS2-scwrl costs 533.932 real_cost = 179.790 Pcons6_TS2 costs 521.056 real_cost = 176.201 Pcons6_TS1-scwrl costs 558.274 real_cost = 190.483 Pcons6_TS1 costs 537.660 real_cost = 185.145 PROTINFO_TS5-scwrl costs 609.907 real_cost = 255.327 PROTINFO_TS5 costs 602.907 real_cost = 250.248 PROTINFO_TS4-scwrl costs 646.257 real_cost = 242.479 PROTINFO_TS4 costs 640.732 real_cost = 245.991 PROTINFO_TS3-scwrl costs 403.027 real_cost = 197.357 PROTINFO_TS3 costs 415.320 real_cost = 199.283 PROTINFO_TS2-scwrl costs 608.385 real_cost = 233.948 PROTINFO_TS2 costs 600.905 real_cost = 236.566 PROTINFO_TS1-scwrl costs 759.038 real_cost = 251.533 PROTINFO_TS1 costs 757.025 real_cost = 251.940 PROTINFO-AB_TS5-scwrl costs 494.307 real_cost = 201.766 PROTINFO-AB_TS5 costs 492.089 real_cost = 206.602 PROTINFO-AB_TS4-scwrl costs 508.380 real_cost = 236.051 PROTINFO-AB_TS4 costs 507.894 real_cost = 230.127 PROTINFO-AB_TS3-scwrl costs 481.811 real_cost = 177.637 PROTINFO-AB_TS3 costs 485.711 real_cost = 181.502 PROTINFO-AB_TS2-scwrl costs 395.719 real_cost = 185.520 PROTINFO-AB_TS2 costs 406.435 real_cost = 185.941 PROTINFO-AB_TS1-scwrl costs 393.048 real_cost = 165.610 PROTINFO-AB_TS1 costs 401.923 real_cost = 174.180 POMYSL_TS5-scwrl costs 489.715 real_cost = 213.133 POMYSL_TS5 costs 496.961 real_cost = 226.899 POMYSL_TS4-scwrl costs 502.304 real_cost = 177.202 POMYSL_TS4 costs 503.897 real_cost = 189.573 POMYSL_TS3-scwrl costs 465.122 real_cost = 224.402 POMYSL_TS3 costs 474.094 real_cost = 252.348 POMYSL_TS2-scwrl costs 552.827 real_cost = 250.181 POMYSL_TS2 costs 559.197 real_cost = 274.506 POMYSL_TS1-scwrl costs 552.827 real_cost = 250.181 POMYSL_TS1 costs 559.197 real_cost = 274.506 NN_PUT_lab_TS1-scwrl costs 539.098 real_cost = 248.904 NN_PUT_lab_TS1 costs 533.983 real_cost = 254.954 MetaTasser_TS4-scwrl costs 443.410 real_cost = 145.406 MetaTasser_TS4 costs 457.191 real_cost = 141.770 MetaTasser_TS3-scwrl costs 522.824 real_cost = 204.128 MetaTasser_TS3 costs 544.921 real_cost = 211.915 MetaTasser_TS2-scwrl costs 475.846 real_cost = 156.367 MetaTasser_TS2 costs 490.303 real_cost = 157.578 MetaTasser_TS1-scwrl costs 431.590 real_cost = 144.795 MetaTasser_TS1 costs 451.417 real_cost = 146.244 Ma-OPUS-server_TS5-scwrl costs 414.234 real_cost = 196.713 Ma-OPUS-server_TS5 costs 424.145 real_cost = 203.856 Ma-OPUS-server_TS4-scwrl costs 415.885 real_cost = 155.198 Ma-OPUS-server_TS4 costs 425.733 real_cost = 165.236 Ma-OPUS-server_TS3-scwrl costs 406.580 real_cost = 187.572 Ma-OPUS-server_TS3 costs 409.669 real_cost = 191.492 Ma-OPUS-server_TS2-scwrl costs 409.298 real_cost = 185.804 Ma-OPUS-server_TS2 costs 420.792 real_cost = 185.354 Ma-OPUS-server_TS1-scwrl costs 403.890 real_cost = 218.984 Ma-OPUS-server_TS1 costs 411.591 real_cost = 221.094 LOOPP_TS5-scwrl costs 619.181 real_cost = 234.421 LOOPP_TS5 costs 613.592 real_cost = 238.284 LOOPP_TS4-scwrl costs 533.615 real_cost = 302.224 LOOPP_TS4 costs 528.721 real_cost = 309.126 LOOPP_TS3-scwrl costs 568.500 real_cost = 283.466 LOOPP_TS3 costs 559.811 real_cost = 281.188 LOOPP_TS2-scwrl costs 518.892 real_cost = 193.835 LOOPP_TS2 costs 503.631 real_cost = 200.958 LOOPP_TS1-scwrl costs 539.098 real_cost = 248.904 LOOPP_TS1 costs 533.983 real_cost = 254.954 Huber-Torda-Server_TS5-scwrl costs 787.914 real_cost = 302.201 Huber-Torda-Server_TS5 costs 4380.596 real_cost = 311.807 Huber-Torda-Server_TS4-scwrl costs 660.646 real_cost = 310.194 Huber-Torda-Server_TS4 costs 50316.502 real_cost = 331.797 Huber-Torda-Server_TS3-scwrl costs 748.360 real_cost = 306.182 Huber-Torda-Server_TS3 costs 7322.012 real_cost = 333.489 Huber-Torda-Server_TS2-scwrl costs 811.824 real_cost = 358.065 Huber-Torda-Server_TS2 costs 14107.799 real_cost = 375.869 Huber-Torda-Server_TS1-scwrl costs 1071.672 real_cost = 383.986 Huber-Torda-Server_TS1 costs 154341.892 real_cost = 392.104 HHpred3_TS1-scwrl costs 402.788 real_cost = 171.091 HHpred3_TS1 costs 415.548 real_cost = 180.637 HHpred2_TS1-scwrl costs 476.928 real_cost = 266.026 HHpred2_TS1 costs 485.102 real_cost = 273.349 HHpred1_TS1-scwrl costs 476.928 real_cost = 266.026 HHpred1_TS1 costs 485.102 real_cost = 273.349 GeneSilicoMetaServer_TS5-scwrl costs 553.171 real_cost = 287.861 GeneSilicoMetaServer_TS5 costs 565.699 real_cost = 313.194 GeneSilicoMetaServer_TS4-scwrl costs 456.511 real_cost = 182.284 GeneSilicoMetaServer_TS4 costs 467.722 real_cost = 193.182 GeneSilicoMetaServer_TS3-scwrl costs 527.766 real_cost = 201.566 GeneSilicoMetaServer_TS3 costs 534.696 real_cost = 200.042 GeneSilicoMetaServer_TS2-scwrl costs 548.619 real_cost = 216.214 GeneSilicoMetaServer_TS2 costs 557.713 real_cost = 227.975 GeneSilicoMetaServer_TS1-scwrl costs 401.876 real_cost = 187.919 GeneSilicoMetaServer_TS1 costs 411.650 real_cost = 196.202 FUNCTION_TS5-scwrl costs 423.454 real_cost = 189.464 FUNCTION_TS5 costs 429.031 real_cost = 192.165 FUNCTION_TS4-scwrl costs 430.007 real_cost = 180.560 FUNCTION_TS4 costs 436.309 real_cost = 183.649 FUNCTION_TS3-scwrl costs 443.627 real_cost = 163.611 FUNCTION_TS3 costs 451.209 real_cost = 168.210 FUNCTION_TS2-scwrl costs 413.123 real_cost = 198.430 FUNCTION_TS2 costs 422.092 real_cost = 199.658 FUNCTION_TS1-scwrl costs 441.706 real_cost = 183.169 FUNCTION_TS1 costs 449.576 real_cost = 191.365 FUGUE_AL5-scwrl costs 1060.054 real_cost = 353.728 FUGUE_AL5 costs 89731.965 real_cost = 353.728 FUGUE_AL4-scwrl costs 710.926 real_cost = 266.938 FUGUE_AL4 costs 56442.535 real_cost = 319.127 FUGUE_AL3-scwrl costs 728.546 real_cost = 287.889 FUGUE_AL3 costs 21885.339 real_cost = 344.182 FUGUE_AL2-scwrl costs 985.575 real_cost = 295.760 FUGUE_AL2 costs 70952.740 real_cost = 295.760 FUGUE_AL1-scwrl costs 658.959 real_cost = 283.494 FUGUE_AL1 costs 155460.183 real_cost = 350.163 FUGMOD_TS5-scwrl costs 463.427 real_cost = 271.002 FUGMOD_TS5 costs 475.371 real_cost = 273.246 FUGMOD_TS4-scwrl costs 543.771 real_cost = 221.670 FUGMOD_TS4 costs 546.864 real_cost = 218.917 FUGMOD_TS3-scwrl costs 444.804 real_cost = 217.638 FUGMOD_TS3 costs 455.945 real_cost = 218.968 FUGMOD_TS2-scwrl costs 399.904 real_cost = 188.917 FUGMOD_TS2 costs 406.805 real_cost = 200.071 FUGMOD_TS1-scwrl costs 472.927 real_cost = 223.058 FUGMOD_TS1 costs 476.163 real_cost = 227.591 FPSOLVER-SERVER_TS5-scwrl costs 487.450 real_cost = 295.990 FPSOLVER-SERVER_TS5 costs 492.199 real_cost = 302.298 FPSOLVER-SERVER_TS4-scwrl costs 476.483 real_cost = 267.926 FPSOLVER-SERVER_TS4 costs 479.170 real_cost = 286.832 FPSOLVER-SERVER_TS3-scwrl costs 469.084 real_cost = 282.355 FPSOLVER-SERVER_TS3 costs 468.524 real_cost = 296.298 FPSOLVER-SERVER_TS2-scwrl costs 482.803 real_cost = 266.033 FPSOLVER-SERVER_TS2 costs 488.302 real_cost = 281.207 FPSOLVER-SERVER_TS1-scwrl costs 461.577 real_cost = 251.770 FPSOLVER-SERVER_TS1 costs 463.932 real_cost = 251.550 FORTE2_AL5-scwrl costs 720.097 real_cost = 319.551 FORTE2_AL5 costs 261939.595 real_cost = 392.430 FORTE2_AL4-scwrl costs 585.782 real_cost = 271.348 FORTE2_AL4 costs 55979.837 real_cost = 360.177 FORTE2_AL3-scwrl costs 653.213 real_cost = 310.421 FORTE2_AL3 costs 52945.904 real_cost = 376.019 FORTE2_AL2-scwrl costs 593.138 real_cost = 256.265 FORTE2_AL2 costs 80580.719 real_cost = 347.726 FORTE2_AL1-scwrl costs 599.974 real_cost = 234.009 FORTE2_AL1 costs 18072.956 real_cost = 318.923 FORTE1_AL5-scwrl costs 585.782 real_cost = 271.348 FORTE1_AL5 costs 55979.837 real_cost = 360.177 FORTE1_AL4-scwrl costs 653.213 real_cost = 310.421 FORTE1_AL4 costs 52945.904 real_cost = 376.019 FORTE1_AL3-scwrl costs 1194.676 real_cost = 367.675 FORTE1_AL3 costs 201280.759 real_cost = 367.675 FORTE1_AL2-scwrl costs 593.138 real_cost = 256.265 FORTE1_AL2 costs 80580.719 real_cost = 347.726 FORTE1_AL1-scwrl costs 599.974 real_cost = 234.009 FORTE1_AL1 costs 18072.956 real_cost = 318.923 FOLDpro_TS5-scwrl costs 426.108 real_cost = 265.423 FOLDpro_TS5 costs 440.030 real_cost = 262.750 FOLDpro_TS4-scwrl costs 437.927 real_cost = 252.485 FOLDpro_TS4 costs 448.877 real_cost = 253.788 FOLDpro_TS3-scwrl costs 431.426 real_cost = 264.409 FOLDpro_TS3 costs 440.496 real_cost = 262.981 FOLDpro_TS2-scwrl costs 466.795 real_cost = 306.561 FOLDpro_TS2 costs 474.000 real_cost = 307.077 FOLDpro_TS1-scwrl costs 459.653 real_cost = 232.433 FOLDpro_TS1 costs 467.471 real_cost = 244.521 FAMS_TS5-scwrl costs 401.647 real_cost = 203.286 FAMS_TS5 costs 412.271 real_cost = 209.687 FAMS_TS4-scwrl costs 455.321 real_cost = 179.297 FAMS_TS4 costs 456.595 real_cost = 185.880 FAMS_TS3-scwrl costs 480.122 real_cost = 190.281 FAMS_TS3 costs 471.741 real_cost = 190.789 FAMS_TS2-scwrl costs 480.122 real_cost = 190.281 FAMS_TS2 costs 471.741 real_cost = 190.789 FAMS_TS1-scwrl costs 430.918 real_cost = 165.530 FAMS_TS1 costs 440.402 real_cost = 166.574 FAMSD_TS5-scwrl costs 438.951 real_cost = 205.437 FAMSD_TS5 costs 446.752 real_cost = 212.109 FAMSD_TS4-scwrl costs 434.241 real_cost = 196.153 FAMSD_TS4 costs 442.279 real_cost = 201.262 FAMSD_TS3-scwrl costs 465.560 real_cost = 171.481 FAMSD_TS3 costs 452.888 real_cost = 175.110 FAMSD_TS2-scwrl costs 426.718 real_cost = 196.894 FAMSD_TS2 costs 431.849 real_cost = 197.172 FAMSD_TS1-scwrl costs 480.122 real_cost = 190.281 FAMSD_TS1 costs 471.741 real_cost = 190.789 Distill_TS5-scwrl costs 2213.506 real_cost = 424.181 Distill_TS4-scwrl costs 2220.583 real_cost = 423.791 Distill_TS3-scwrl costs 2217.392 real_cost = 424.100 Distill_TS2-scwrl costs 2220.920 real_cost = 424.267 Distill_TS1-scwrl costs 2220.525 real_cost = 424.939 CaspIta-FOX_TS5-scwrl costs 705.898 real_cost = 284.549 CaspIta-FOX_TS5 costs 819.015 real_cost = 288.613 CaspIta-FOX_TS4-scwrl costs 580.255 real_cost = 226.531 CaspIta-FOX_TS4 costs 565.035 real_cost = 226.088 CaspIta-FOX_TS3-scwrl costs 595.848 real_cost = 203.432 CaspIta-FOX_TS3 costs 569.060 real_cost = 201.768 CaspIta-FOX_TS2-scwrl costs 781.580 real_cost = 261.991 CaspIta-FOX_TS2 costs 708.865 real_cost = 258.179 CaspIta-FOX_TS1-scwrl costs 500.992 real_cost = 211.756 CaspIta-FOX_TS1 costs 507.780 real_cost = 210.855 CIRCLE_TS5-scwrl costs 399.865 real_cost = 182.244 CIRCLE_TS5 costs 409.478 real_cost = 189.462 CIRCLE_TS4-scwrl costs 401.647 real_cost = 203.286 CIRCLE_TS4 costs 412.271 real_cost = 209.687 CIRCLE_TS3-scwrl costs 403.559 real_cost = 153.195 CIRCLE_TS3 costs 412.079 real_cost = 157.824 CIRCLE_TS2-scwrl costs 455.321 real_cost = 179.297 CIRCLE_TS2 costs 456.595 real_cost = 185.880 CIRCLE_TS1-scwrl costs 480.122 real_cost = 190.281 CIRCLE_TS1 costs 471.741 real_cost = 190.789 Bilab-ENABLE_TS5-scwrl costs 443.549 real_cost = 210.796 Bilab-ENABLE_TS5 costs 443.549 real_cost = 210.796 Bilab-ENABLE_TS4-scwrl costs 425.031 real_cost = 147.972 Bilab-ENABLE_TS4 costs 426.416 real_cost = 148.418 Bilab-ENABLE_TS3-scwrl costs 415.283 real_cost = 207.863 Bilab-ENABLE_TS3 costs 415.167 real_cost = 207.835 Bilab-ENABLE_TS2-scwrl costs 390.928 real_cost = 183.524 Bilab-ENABLE_TS2 costs 389.933 real_cost = 183.062 Bilab-ENABLE_TS1-scwrl costs 440.864 real_cost = 221.008 Bilab-ENABLE_TS1 costs 445.855 real_cost = 221.455 BayesHH_TS1-scwrl costs 400.370 real_cost = 161.956 BayesHH_TS1 costs 412.796 real_cost = 168.057 ABIpro_TS5-scwrl costs 452.772 real_cost = 175.567 ABIpro_TS5 costs 453.326 real_cost = 175.573 ABIpro_TS4-scwrl costs 468.043 real_cost = 170.604 ABIpro_TS4 costs 468.227 real_cost = 170.596 ABIpro_TS3-scwrl costs 464.172 real_cost = 184.318 ABIpro_TS3 costs 464.514 real_cost = 184.325 ABIpro_TS2-scwrl costs 450.320 real_cost = 193.180 ABIpro_TS2 costs 453.914 real_cost = 193.429 ABIpro_TS1-scwrl costs 519.129 real_cost = 220.831 ABIpro_TS1 costs 518.730 real_cost = 220.832 3Dpro_TS5-scwrl costs 450.320 real_cost = 193.180 3Dpro_TS5 costs 453.914 real_cost = 193.429 3Dpro_TS4-scwrl costs 519.129 real_cost = 220.831 3Dpro_TS4 costs 518.730 real_cost = 220.832 3Dpro_TS3-scwrl costs 425.612 real_cost = 216.872 3Dpro_TS3 costs 434.323 real_cost = 222.583 3Dpro_TS2-scwrl costs 435.437 real_cost = 206.742 3Dpro_TS2 costs 444.298 real_cost = 209.127 3Dpro_TS1-scwrl costs 394.630 real_cost = 158.301 3Dpro_TS1 costs 407.261 real_cost = 168.889 3D-JIGSAW_TS1-scwrl costs 494.791 real_cost = 225.487 3D-JIGSAW_TS1 costs 506.501 real_cost = 227.249 3D-JIGSAW_RECOM_TS1-scwrl costs 494.791 real_cost = 225.487 3D-JIGSAW_RECOM_TS1 costs 506.501 real_cost = 227.249 3D-JIGSAW_POPULUS_TS5-scwrl costs 494.791 real_cost = 225.487 3D-JIGSAW_POPULUS_TS5 costs 506.501 real_cost = 227.249 3D-JIGSAW_POPULUS_TS4-scwrl costs 494.791 real_cost = 225.487 3D-JIGSAW_POPULUS_TS4 costs 506.501 real_cost = 227.249 3D-JIGSAW_POPULUS_TS3-scwrl costs 494.791 real_cost = 225.487 3D-JIGSAW_POPULUS_TS3 costs 506.501 real_cost = 227.249 3D-JIGSAW_POPULUS_TS2-scwrl costs 494.791 real_cost = 225.487 3D-JIGSAW_POPULUS_TS2 costs 506.501 real_cost = 227.249 3D-JIGSAW_POPULUS_TS1-scwrl costs 494.791 real_cost = 225.487 3D-JIGSAW_POPULUS_TS1 costs 506.501 real_cost = 227.249 edit9.pdb.gz costs 401.920 real_cost = 145.672 edit3.pdb.gz costs 418.087 real_cost = 156.355 edit2.pdb.gz costs 391.851 real_cost = 151.959 T0307.try9-opt2.repack-nonPC.pdb.gz costs 378.512 real_cost = 183.112 T0307.try9-opt2.pdb.gz costs 375.941 real_cost = 184.089 T0307.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 393.727 real_cost = 179.073 T0307.try9-opt2.gromacs0.pdb.gz costs 394.002 real_cost = 179.682 T0307.try9-opt1.pdb.gz costs 384.016 real_cost = 186.354 T0307.try9-opt1-scwrl.pdb.gz costs 383.344 real_cost = 187.598 T0307.try8-opt2.repack-nonPC.pdb.gz costs 335.170 real_cost = 151.146 T0307.try8-opt2.pdb.gz costs 333.430 real_cost = 153.110 T0307.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 341.480 real_cost = 150.343 T0307.try8-opt2.gromacs0.pdb.gz costs 340.079 real_cost = 153.676 T0307.try8-opt1.pdb.gz costs 340.595 real_cost = 157.635 T0307.try8-opt1-scwrl.pdb.gz costs 343.257 real_cost = 156.247 T0307.try7-opt2.repack-nonPC.pdb.gz costs 337.333 real_cost = 150.206 T0307.try7-opt2.pdb.gz costs 335.512 real_cost = 151.414 T0307.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 343.302 real_cost = 146.355 T0307.try7-opt2.gromacs0.pdb.gz costs 342.481 real_cost = 148.741 T0307.try7-opt1.pdb.gz costs 342.487 real_cost = 149.468 T0307.try7-opt1-scwrl.pdb.gz costs 342.961 real_cost = 148.766 T0307.try5-opt2.repack-nonPC.pdb.gz costs 377.141 real_cost = 178.820 T0307.try5-opt2.pdb.gz costs 373.574 real_cost = 175.900 T0307.try5-opt2.gromacs0.pdb.gz costs 382.068 real_cost = 177.447 T0307.try5-opt1.pdb.gz costs 381.775 real_cost = 174.519 T0307.try5-opt1-scwrl.pdb.gz costs 382.502 real_cost = 174.215 T0307.try4-opt2.repack-nonPC.pdb.gz costs 361.062 real_cost = 215.991 T0307.try4-opt2.pdb.gz costs 357.059 real_cost = 215.595 T0307.try4-opt2.gromacs0.pdb.gz costs 370.972 real_cost = 216.415 T0307.try4-opt1.pdb.gz costs 364.530 real_cost = 218.777 T0307.try4-opt1-scwrl.pdb.gz costs 366.404 real_cost = 218.434 T0307.try3-opt2.repack-nonPC.pdb.gz costs 351.888 real_cost = 186.073 T0307.try3-opt2.pdb.gz costs 348.079 real_cost = 182.699 T0307.try3-opt2.gromacs0.pdb.gz costs 356.671 real_cost = 183.474 T0307.try3-opt1.pdb.gz costs 353.942 real_cost = 185.618 T0307.try3-opt1-scwrl.pdb.gz costs 355.002 real_cost = 184.965 T0307.try29-opt2.repack-nonPC.pdb.gz costs 351.043 real_cost = 175.763 T0307.try29-opt2.pdb.gz costs 346.038 real_cost = 174.899 T0307.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 367.679 real_cost = 168.450 T0307.try29-opt2.gromacs0.pdb.gz costs 365.920 real_cost = 169.198 T0307.try29-opt1.pdb.gz costs 348.229 real_cost = 173.878 T0307.try29-opt1-scwrl.pdb.gz costs 352.740 real_cost = 166.930 T0307.try28-opt2.repack-nonPC.pdb.gz costs 350.518 real_cost = 176.555 T0307.try28-opt2.pdb.gz costs 345.963 real_cost = 173.891 T0307.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 368.330 real_cost = 169.010 T0307.try28-opt2.gromacs0.pdb.gz costs 365.319 real_cost = 171.167 T0307.try28-opt1.pdb.gz costs 349.101 real_cost = 176.018 T0307.try28-opt1-scwrl.pdb.gz costs 353.500 real_cost = 167.276 T0307.try27-opt2.repack-nonPC.pdb.gz costs 352.108 real_cost = 170.990 T0307.try27-opt2.pdb.gz costs 349.501 real_cost = 171.561 T0307.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 366.574 real_cost = 167.019 T0307.try27-opt2.gromacs0.pdb.gz costs 365.130 real_cost = 173.200 T0307.try27-opt1.pdb.gz costs 358.811 real_cost = 163.780 T0307.try27-opt1-scwrl.pdb.gz costs 360.683 real_cost = 162.267 T0307.try26-opt2.repack-nonPC.pdb.gz costs 355.647 real_cost = 136.238 T0307.try26-opt2.pdb.gz costs 351.587 real_cost = 138.907 T0307.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 366.142 real_cost = 136.849 T0307.try26-opt2.gromacs0.pdb.gz costs 365.806 real_cost = 139.009 T0307.try26-opt1.pdb.gz costs 364.358 real_cost = 137.654 T0307.try26-opt1-scwrl.pdb.gz costs 364.901 real_cost = 135.937 T0307.try25-opt2.repack-nonPC.pdb.gz costs 350.632 real_cost = 172.175 T0307.try25-opt2.pdb.gz costs 346.855 real_cost = 172.840 T0307.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 365.010 real_cost = 167.985 T0307.try25-opt2.gromacs0.pdb.gz costs 363.410 real_cost = 168.822 T0307.try25-opt1.pdb.gz costs 353.346 real_cost = 171.493 T0307.try25-opt1-scwrl.pdb.gz costs 359.032 real_cost = 169.558 T0307.try24-opt2.repack-nonPC.pdb.gz costs 334.912 real_cost = 155.829 T0307.try24-opt2.pdb.gz costs 330.824 real_cost = 159.336 T0307.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 338.739 real_cost = 155.732 T0307.try24-opt2.gromacs0.pdb.gz costs 336.834 real_cost = 158.255 T0307.try24-opt1.pdb.gz costs 336.694 real_cost = 159.054 T0307.try24-opt1-scwrl.pdb.gz costs 340.872 real_cost = 155.878 T0307.try23-opt2.repack-nonPC.pdb.gz costs 356.360 real_cost = 150.481 T0307.try23-opt2.pdb.gz costs 352.440 real_cost = 149.871 T0307.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 377.874 real_cost = 152.530 T0307.try23-opt2.gromacs0.pdb.gz costs 375.682 real_cost = 153.772 T0307.try23-opt1.pdb.gz costs 366.703 real_cost = 147.427 T0307.try23-opt1-scwrl.pdb.gz costs 366.725 real_cost = 149.964 T0307.try22-opt2.repack-nonPC.pdb.gz costs 356.979 real_cost = 152.955 T0307.try22-opt2.pdb.gz costs 355.392 real_cost = 151.712 T0307.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 371.768 real_cost = 155.727 T0307.try22-opt2.gromacs0.pdb.gz costs 370.537 real_cost = 152.966 T0307.try22-opt1.pdb.gz costs 363.769 real_cost = 152.991 T0307.try22-opt1-scwrl.pdb.gz costs 363.468 real_cost = 152.136 T0307.try21-opt2.repack-nonPC.pdb.gz costs 365.732 real_cost = 159.246 T0307.try21-opt2.pdb.gz costs 363.389 real_cost = 157.917 T0307.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 380.486 real_cost = 160.205 T0307.try21-opt2.gromacs0.pdb.gz costs 380.000 real_cost = 159.378 T0307.try21-opt1.pdb.gz costs 375.693 real_cost = 157.371 T0307.try21-opt1-scwrl.pdb.gz costs 376.734 real_cost = 158.650 T0307.try20-opt2.repack-nonPC.pdb.gz costs 366.006 real_cost = 160.694 T0307.try20-opt2.pdb.gz costs 363.085 real_cost = 160.389 T0307.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 380.416 real_cost = 158.440 T0307.try20-opt2.gromacs0.pdb.gz costs 380.276 real_cost = 157.736 T0307.try20-opt1.pdb.gz costs 371.986 real_cost = 153.150 T0307.try20-opt1-scwrl.pdb.gz costs 372.443 real_cost = 150.892 T0307.try2-opt2.repack-nonPC.pdb.gz costs 360.162 real_cost = 150.172 T0307.try2-opt2.pdb.gz costs 357.554 real_cost = 152.743 T0307.try2-opt2.gromacs0.pdb.gz costs 366.349 real_cost = 155.752 T0307.try2-opt1.pdb.gz costs 365.719 real_cost = 152.345 T0307.try2-opt1-scwrl.pdb.gz costs 367.217 real_cost = 148.254 T0307.try18-opt2.repack-nonPC.pdb.gz costs 371.111 real_cost = 147.148 T0307.try18-opt2.pdb.gz costs 367.281 real_cost = 150.201 T0307.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 394.077 real_cost = 147.624 T0307.try18-opt2.gromacs0.pdb.gz costs 393.029 real_cost = 148.604 T0307.try18-opt1.pdb.gz costs 379.703 real_cost = 150.355 T0307.try18-opt1-scwrl.pdb.gz costs 384.376 real_cost = 147.763 T0307.try17-opt2.repack-nonPC.pdb.gz costs 391.825 real_cost = 160.190 T0307.try17-opt2.pdb.gz costs 389.660 real_cost = 164.225 T0307.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 414.408 real_cost = 168.256 T0307.try17-opt2.gromacs0.pdb.gz costs 415.457 real_cost = 173.894 T0307.try17-opt1.pdb.gz costs 405.060 real_cost = 163.750 T0307.try17-opt1-scwrl.pdb.gz costs 404.960 real_cost = 165.114 T0307.try16-opt2.repack-nonPC.pdb.gz costs 351.447 real_cost = 162.252 T0307.try16-opt2.pdb.gz costs 348.890 real_cost = 163.682 T0307.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 368.728 real_cost = 163.106 T0307.try16-opt2.gromacs0.pdb.gz costs 366.592 real_cost = 164.801 T0307.try16-opt1.pdb.gz costs 362.945 real_cost = 169.456 T0307.try16-opt1-scwrl.pdb.gz costs 363.000 real_cost = 169.015 T0307.try15-opt2.repack-nonPC.pdb.gz costs 370.572 real_cost = 171.254 T0307.try15-opt2.pdb.gz costs 368.705 real_cost = 172.128 T0307.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 387.433 real_cost = 171.678 T0307.try15-opt2.gromacs0.pdb.gz costs 385.680 real_cost = 172.499 T0307.try15-opt1.pdb.gz costs 377.662 real_cost = 174.694 T0307.try15-opt1-scwrl.pdb.gz costs 378.158 real_cost = 172.755 T0307.try14-opt2.repack-nonPC.pdb.gz costs 366.904 real_cost = 152.131 T0307.try14-opt2.pdb.gz costs 364.288 real_cost = 149.602 T0307.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 377.424 real_cost = 155.749 T0307.try14-opt2.gromacs0.pdb.gz costs 375.520 real_cost = 154.763 T0307.try14-opt1.pdb.gz costs 374.694 real_cost = 151.130 T0307.try14-opt1-scwrl.pdb.gz costs 376.512 real_cost = 150.969 T0307.try13-opt2.repack-nonPC.pdb.gz costs 378.770 real_cost = 141.706 T0307.try13-opt2.pdb.gz costs 377.014 real_cost = 140.851 T0307.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 417.500 real_cost = 124.422 T0307.try13-opt2.gromacs0.pdb.gz costs 421.530 real_cost = 129.019 T0307.try13-opt1.pdb.gz costs 384.975 real_cost = 126.054 T0307.try13-opt1-scwrl.pdb.gz costs 386.353 real_cost = 124.355 T0307.try12-opt2.repack-nonPC.pdb.gz costs 375.300 real_cost = 145.898 T0307.try12-opt2.pdb.gz costs 372.256 real_cost = 146.485 T0307.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 393.394 real_cost = 149.652 T0307.try12-opt2.gromacs0.pdb.gz costs 392.762 real_cost = 150.026 T0307.try12-opt1.pdb.gz costs 380.620 real_cost = 150.768 T0307.try12-opt1-scwrl.pdb.gz costs 383.254 real_cost = 149.762 T0307.try11-opt2.repack-nonPC.pdb.gz costs 379.652 real_cost = 152.510 T0307.try11-opt2.pdb.gz costs 376.929 real_cost = 153.200 T0307.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 409.595 real_cost = 154.631 T0307.try11-opt2.gromacs0.pdb.gz costs 408.686 real_cost = 155.398 T0307.try11-opt1.pdb.gz costs 388.737 real_cost = 153.045 T0307.try11-opt1-scwrl.pdb.gz costs 387.634 real_cost = 152.899 T0307.try10-opt2.repack-nonPC.pdb.gz costs 373.883 real_cost = 151.453 T0307.try10-opt2.pdb.gz costs 372.510 real_cost = 148.159 T0307.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 396.939 real_cost = 152.828 T0307.try10-opt2.gromacs0.pdb.gz costs 396.480 real_cost = 152.548 T0307.try10-opt1.pdb.gz costs 384.715 real_cost = 151.436 T0307.try10-opt1-scwrl.pdb.gz costs 386.877 real_cost = 151.447 T0307.try1-opt2.repack-nonPC.pdb.gz costs 350.204 real_cost = 126.343 T0307.try1-opt2.pdb.gz costs 347.325 real_cost = 128.620 T0307.try1-opt2.gromacs0.pdb.gz costs 362.871 real_cost = 128.038 T0307.try1-opt1.pdb.gz costs 356.902 real_cost = 134.431 T0307.try1-opt1-scwrl.pdb.gz costs 356.152 real_cost = 133.875 ../model5.ts-submitted costs 346.837 real_cost = 172.832 ../model4.ts-submitted costs 347.343 real_cost = 128.810 ../model3.ts-submitted costs 348.215 real_cost = 182.508 ../model2.ts-submitted costs 351.597 real_cost = 138.898 ../model1.ts-submitted costs 330.771 real_cost = 159.175 align5 costs 903.467 real_cost = 233.890 align4 costs 787.356 real_cost = 265.301 align3 costs 879.824 real_cost = 290.360 align2 costs 669.983 real_cost = 195.215 align1 costs 819.129 real_cost = 262.560 T0307.try1-opt2.pdb costs 347.325 real_cost = 128.626 model5-scwrl costs 352.509 real_cost = 168.203 model5.ts-submitted costs 346.837 real_cost = 172.832 model4-scwrl costs 348.659 real_cost = 128.065 model4.ts-submitted costs 347.343 real_cost = 128.810 model3-scwrl costs 351.027 real_cost = 182.987 model3.ts-submitted costs 348.215 real_cost = 182.508 model2-scwrl costs 359.577 real_cost = 136.482 model2.ts-submitted costs 351.597 real_cost = 138.898 model1-scwrl costs 336.416 real_cost = 154.868 model1.ts-submitted costs 330.771 real_cost = 159.180 2h5nA costs 382.914 real_cost = -891.800 # command:CPU_time= 387.907 sec, elapsed time= 1192.621 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/T0307'