make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0374' 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/T0374.} ;\ 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/T0374/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2i6cA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174493502 # 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= 6.16206 sec, elapsed time= 12.6312 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= 6.24705 sec, elapsed time= 12.744 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0374 numbered 1 through 160 Created new target T0374 from T0374.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# Found a chain break before 75 # 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 T0374.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 T0374.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 T0374.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= 11.3973 sec, elapsed time= 23.4487 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 154 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -71.25 # GDT_score(maxd=8,maxw=2.9)= -74.5126 # GDT_score(maxd=8,maxw=3.2)= -70.9333 # GDT_score(maxd=8,maxw=3.5)= -67.6829 # GDT_score(maxd=10,maxw=3.8)= -70.5628 # GDT_score(maxd=10,maxw=4)= -68.5259 # GDT_score(maxd=10,maxw=4.2)= -66.4506 # GDT_score(maxd=12,maxw=4.3)= -70.0931 # GDT_score(maxd=12,maxw=4.5)= -68.0512 # GDT_score(maxd=12,maxw=4.7)= -65.9479 # GDT_score(maxd=14,maxw=5.2)= -64.6927 # GDT_score(maxd=14,maxw=5.5)= -61.8119 # 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 19.863 33.422 8.303 1.00 0.00 ATOM 2 CA MET A 1 21.185 32.841 7.937 1.00 0.00 ATOM 3 CB MET A 1 21.668 31.873 9.034 1.00 0.00 ATOM 4 CG MET A 1 21.386 30.392 8.772 1.00 0.00 ATOM 5 SD MET A 1 22.055 29.213 10.164 1.00 0.00 ATOM 6 CE MET A 1 23.790 28.797 9.430 1.00 0.00 ATOM 7 O MET A 1 19.962 31.973 6.060 1.00 0.00 ATOM 8 C MET A 1 21.057 32.110 6.601 1.00 0.00 ATOM 9 N GLN A 2 22.174 31.647 6.053 1.00 0.00 ATOM 10 CA GLN A 2 22.134 30.943 4.778 1.00 0.00 ATOM 11 CB GLN A 2 23.819 30.483 4.704 1.00 0.00 ATOM 12 CG GLN A 2 24.790 31.260 5.571 1.00 0.00 ATOM 13 CD GLN A 2 24.902 32.705 5.149 1.00 0.00 ATOM 14 OE1 GLN A 2 23.982 33.499 5.363 1.00 0.00 ATOM 15 NE2 GLN A 2 26.026 33.055 4.535 1.00 0.00 ATOM 16 O GLN A 2 20.753 29.246 3.910 1.00 0.00 ATOM 17 C GLN A 2 21.345 29.661 4.889 1.00 0.00 ATOM 18 N LEU A 3 21.304 29.050 6.068 1.00 0.00 ATOM 19 CA LEU A 3 20.553 27.825 6.275 1.00 0.00 ATOM 20 CB LEU A 3 21.431 26.791 7.022 1.00 0.00 ATOM 21 CG LEU A 3 22.663 26.311 6.246 1.00 0.00 ATOM 22 CD1 LEU A 3 23.545 25.474 7.172 1.00 0.00 ATOM 23 CD2 LEU A 3 22.271 25.550 4.987 1.00 0.00 ATOM 24 O LEU A 3 19.418 28.862 8.105 1.00 0.00 ATOM 25 C LEU A 3 19.339 28.094 7.148 1.00 0.00 ATOM 26 N SER A 4 18.252 27.413 6.838 1.00 0.00 ATOM 27 CA SER A 4 17.026 27.543 7.630 1.00 0.00 ATOM 28 CB SER A 4 16.108 28.566 6.960 1.00 0.00 ATOM 29 OG SER A 4 16.719 29.842 6.905 1.00 0.00 ATOM 30 O SER A 4 16.394 25.373 6.839 1.00 0.00 ATOM 31 C SER A 4 16.307 26.208 7.739 1.00 0.00 ATOM 32 N HIS A 5 15.557 26.034 8.819 1.00 0.00 ATOM 33 CA HIS A 5 14.831 24.799 9.047 1.00 0.00 ATOM 34 CB HIS A 5 15.356 24.042 10.274 1.00 0.00 ATOM 35 CG HIS A 5 15.326 24.856 11.533 1.00 0.00 ATOM 36 CD2 HIS A 5 16.226 25.698 12.104 1.00 0.00 ATOM 37 ND1 HIS A 5 14.210 24.929 12.350 1.00 0.00 ATOM 38 CE1 HIS A 5 14.427 25.739 13.362 1.00 0.00 ATOM 39 NE2 HIS A 5 15.659 26.205 13.219 1.00 0.00 ATOM 40 O HIS A 5 13.068 26.196 9.878 1.00 0.00 ATOM 41 C HIS A 5 13.376 25.146 9.308 1.00 0.00 ATOM 42 N ARG A 6 12.478 24.217 8.440 1.00 0.00 ATOM 43 CA ARG A 6 11.044 24.470 8.531 1.00 0.00 ATOM 44 CB ARG A 6 10.514 25.023 7.208 1.00 0.00 ATOM 45 CG ARG A 6 11.110 26.363 6.810 1.00 0.00 ATOM 46 CD ARG A 6 10.620 27.477 7.721 1.00 0.00 ATOM 47 NE ARG A 6 11.104 28.788 7.291 1.00 0.00 ATOM 48 CZ ARG A 6 12.270 29.312 7.657 1.00 0.00 ATOM 49 NH1 ARG A 6 12.626 30.510 7.216 1.00 0.00 ATOM 50 NH2 ARG A 6 13.075 28.634 8.463 1.00 0.00 ATOM 51 O ARG A 6 10.560 22.138 8.266 1.00 0.00 ATOM 52 C ARG A 6 10.274 23.192 8.837 1.00 0.00 ATOM 53 N PRO A 7 9.294 23.289 9.730 1.00 0.00 ATOM 54 CA PRO A 7 8.476 22.132 10.076 1.00 0.00 ATOM 55 CB PRO A 7 7.721 22.576 11.332 1.00 0.00 ATOM 56 CG PRO A 7 7.669 24.064 11.229 1.00 0.00 ATOM 57 CD PRO A 7 8.935 24.478 10.529 1.00 0.00 ATOM 58 O PRO A 7 6.928 22.755 8.353 1.00 0.00 ATOM 59 C PRO A 7 7.552 21.844 8.898 1.00 0.00 ATOM 60 N ALA A 8 7.477 20.578 8.501 1.00 0.00 ATOM 61 CA ALA A 8 6.641 20.186 7.370 1.00 0.00 ATOM 62 CB ALA A 8 6.989 18.776 6.918 1.00 0.00 ATOM 63 O ALA A 8 4.719 19.812 8.762 1.00 0.00 ATOM 64 C ALA A 8 5.147 20.204 7.679 1.00 0.00 ATOM 65 N GLU A 9 4.357 20.662 6.713 1.00 0.00 ATOM 66 CA GLU A 9 2.907 20.706 6.873 1.00 0.00 ATOM 67 CB GLU A 9 2.391 22.141 6.736 1.00 0.00 ATOM 68 CG GLU A 9 2.954 23.105 7.767 1.00 0.00 ATOM 69 CD GLU A 9 2.420 22.846 9.162 1.00 0.00 ATOM 70 OE1 GLU A 9 1.467 22.051 9.293 1.00 0.00 ATOM 71 OE2 GLU A 9 2.958 23.436 10.120 1.00 0.00 ATOM 72 O GLU A 9 2.953 19.211 4.999 1.00 0.00 ATOM 73 C GLU A 9 2.265 19.845 5.803 1.00 0.00 ATOM 74 N THR A 10 0.869 19.800 5.811 1.00 0.00 ATOM 75 CA THR A 10 0.137 18.989 4.859 1.00 0.00 ATOM 76 CB THR A 10 -1.385 19.138 5.042 1.00 0.00 ATOM 77 CG2 THR A 10 -2.130 18.311 4.006 1.00 0.00 ATOM 78 OG1 THR A 10 -1.758 18.689 6.351 1.00 0.00 ATOM 79 O THR A 10 0.487 18.534 2.535 1.00 0.00 ATOM 80 C THR A 10 0.452 19.386 3.418 1.00 0.00 ATOM 81 N GLY A 11 0.689 20.671 3.182 1.00 0.00 ATOM 82 CA GLY A 11 0.990 21.141 1.834 1.00 0.00 ATOM 83 O GLY A 11 2.677 20.843 0.156 1.00 0.00 ATOM 84 C GLY A 11 2.379 20.742 1.346 1.00 0.00 ATOM 85 N ASP A 12 3.224 20.279 2.262 1.00 0.00 ATOM 86 CA ASP A 12 4.579 19.859 1.909 1.00 0.00 ATOM 87 CB ASP A 12 5.533 20.078 3.086 1.00 0.00 ATOM 88 CG ASP A 12 5.667 21.541 3.465 1.00 0.00 ATOM 89 OD1 ASP A 12 5.882 22.372 2.559 1.00 0.00 ATOM 90 OD2 ASP A 12 5.554 21.855 4.668 1.00 0.00 ATOM 91 O ASP A 12 5.721 17.850 1.302 1.00 0.00 ATOM 92 C ASP A 12 4.644 18.381 1.549 1.00 0.00 ATOM 93 N LEU A 13 3.488 17.725 1.522 1.00 0.00 ATOM 94 CA LEU A 13 3.409 16.297 1.222 1.00 0.00 ATOM 95 CB LEU A 13 2.003 15.780 1.062 1.00 0.00 ATOM 96 CG LEU A 13 1.110 16.033 2.290 1.00 0.00 ATOM 97 CD1 LEU A 13 -0.203 15.350 2.049 1.00 0.00 ATOM 98 CD2 LEU A 13 1.743 15.543 3.559 1.00 0.00 ATOM 99 O LEU A 13 4.933 14.948 -0.042 1.00 0.00 ATOM 100 C LEU A 13 4.125 15.874 -0.056 1.00 0.00 ATOM 101 N GLU A 14 3.822 16.545 -1.165 1.00 0.00 ATOM 102 CA GLU A 14 4.440 16.201 -2.438 1.00 0.00 ATOM 103 CB GLU A 14 3.874 17.073 -3.561 1.00 0.00 ATOM 104 CG GLU A 14 2.433 16.754 -3.929 1.00 0.00 ATOM 105 CD GLU A 14 1.868 17.716 -4.956 1.00 0.00 ATOM 106 OE1 GLU A 14 2.578 18.675 -5.325 1.00 0.00 ATOM 107 OE2 GLU A 14 0.715 17.510 -5.392 1.00 0.00 ATOM 108 O GLU A 14 6.697 15.535 -2.912 1.00 0.00 ATOM 109 C GLU A 14 5.954 16.392 -2.431 1.00 0.00 ATOM 110 N THR A 15 6.407 17.516 -1.890 1.00 0.00 ATOM 111 CA THR A 15 7.839 17.798 -1.822 1.00 0.00 ATOM 112 CB THR A 15 8.027 19.307 -1.455 1.00 0.00 ATOM 113 CG2 THR A 15 9.508 19.651 -1.280 1.00 0.00 ATOM 114 OG1 THR A 15 7.458 20.080 -2.501 1.00 0.00 ATOM 115 O THR A 15 9.666 16.371 -1.211 1.00 0.00 ATOM 116 C THR A 15 8.563 16.821 -0.909 1.00 0.00 ATOM 117 N VAL A 16 7.933 16.510 0.198 1.00 0.00 ATOM 118 CA VAL A 16 8.535 15.581 1.142 1.00 0.00 ATOM 119 CB VAL A 16 7.665 15.390 2.398 1.00 0.00 ATOM 120 CG1 VAL A 16 8.196 14.244 3.244 1.00 0.00 ATOM 121 CG2 VAL A 16 7.668 16.655 3.244 1.00 0.00 ATOM 122 O VAL A 16 9.715 13.573 0.578 1.00 0.00 ATOM 123 C VAL A 16 8.683 14.224 0.456 1.00 0.00 ATOM 124 N ALA A 17 7.650 13.812 -0.274 1.00 0.00 ATOM 125 CA ALA A 17 7.672 12.526 -0.969 1.00 0.00 ATOM 126 CB ALA A 17 6.327 12.264 -1.637 1.00 0.00 ATOM 127 O ALA A 17 9.483 11.421 -2.089 1.00 0.00 ATOM 128 C ALA A 17 8.780 12.448 -1.998 1.00 0.00 ATOM 129 N GLY A 18 8.973 13.468 -2.800 1.00 0.00 ATOM 130 CA GLY A 18 10.014 13.452 -3.805 1.00 0.00 ATOM 131 O GLY A 18 12.300 12.761 -3.633 1.00 0.00 ATOM 132 C GLY A 18 11.406 13.479 -3.192 1.00 0.00 ATOM 133 N PHE A 19 11.636 14.334 -2.154 1.00 0.00 ATOM 134 CA PHE A 19 12.943 14.413 -1.505 1.00 0.00 ATOM 135 CB PHE A 19 12.937 15.533 -0.463 1.00 0.00 ATOM 136 CG PHE A 19 12.832 16.908 -1.055 1.00 0.00 ATOM 137 CD1 PHE A 19 13.105 17.126 -2.394 1.00 0.00 ATOM 138 CD2 PHE A 19 12.459 17.989 -0.271 1.00 0.00 ATOM 139 CE1 PHE A 19 13.009 18.392 -2.938 1.00 0.00 ATOM 140 CE2 PHE A 19 12.363 19.256 -0.814 1.00 0.00 ATOM 141 CZ PHE A 19 12.635 19.459 -2.143 1.00 0.00 ATOM 142 O PHE A 19 14.410 12.630 -0.826 1.00 0.00 ATOM 143 C PHE A 19 13.266 13.087 -0.808 1.00 0.00 ATOM 144 N PRO A 20 12.256 12.477 -0.190 1.00 0.00 ATOM 145 CA PRO A 20 12.447 11.194 0.500 1.00 0.00 ATOM 146 CB PRO A 20 11.069 10.885 1.091 1.00 0.00 ATOM 147 CG PRO A 20 10.454 12.222 1.327 1.00 0.00 ATOM 148 CD PRO A 20 10.848 13.075 0.153 1.00 0.00 ATOM 149 O PRO A 20 13.828 9.342 -0.184 1.00 0.00 ATOM 150 C PRO A 20 12.895 10.096 -0.467 1.00 0.00 ATOM 151 N GLN A 21 12.229 10.022 -1.615 1.00 0.00 ATOM 152 CA GLN A 21 12.552 9.017 -2.622 1.00 0.00 ATOM 153 CB GLN A 21 11.638 9.097 -3.793 1.00 0.00 ATOM 154 CG GLN A 21 11.831 7.986 -4.791 1.00 0.00 ATOM 155 CD GLN A 21 10.732 7.987 -5.847 1.00 0.00 ATOM 156 OE1 GLN A 21 10.721 8.844 -6.717 1.00 0.00 ATOM 157 NE2 GLN A 21 9.762 7.088 -5.726 1.00 0.00 ATOM 158 O GLN A 21 14.725 8.206 -3.252 1.00 0.00 ATOM 159 C GLN A 21 13.964 9.173 -3.194 1.00 0.00 ATOM 160 N ASP A 22 14.322 10.396 -3.574 1.00 0.00 ATOM 161 CA ASP A 22 15.633 10.672 -4.152 1.00 0.00 ATOM 162 CB ASP A 22 15.752 12.150 -4.531 1.00 0.00 ATOM 163 CG ASP A 22 14.938 12.504 -5.759 1.00 0.00 ATOM 164 OD1 ASP A 22 14.476 11.574 -6.454 1.00 0.00 ATOM 165 OD2 ASP A 22 14.760 13.710 -6.026 1.00 0.00 ATOM 166 O ASP A 22 17.686 9.601 -3.519 1.00 0.00 ATOM 167 C ASP A 22 16.768 10.351 -3.185 1.00 0.00 ATOM 168 N ARG A 23 16.704 10.913 -1.984 1.00 0.00 ATOM 169 CA ARG A 23 17.762 10.682 -1.008 1.00 0.00 ATOM 170 CB ARG A 23 17.529 11.532 0.244 1.00 0.00 ATOM 171 CG ARG A 23 17.703 13.025 0.020 1.00 0.00 ATOM 172 CD ARG A 23 17.559 13.799 1.320 1.00 0.00 ATOM 173 NE ARG A 23 17.613 15.242 1.105 1.00 0.00 ATOM 174 CZ ARG A 23 16.548 16.007 0.888 1.00 0.00 ATOM 175 NH1 ARG A 23 16.694 17.311 0.704 1.00 0.00 ATOM 176 NH2 ARG A 23 15.338 15.463 0.853 1.00 0.00 ATOM 177 O ARG A 23 18.983 8.711 -0.405 1.00 0.00 ATOM 178 C ARG A 23 17.875 9.222 -0.569 1.00 0.00 ATOM 179 N ASP A 24 16.725 8.548 -0.367 1.00 0.00 ATOM 180 CA ASP A 24 16.734 7.148 0.052 1.00 0.00 ATOM 181 CB ASP A 24 15.307 6.661 0.310 1.00 0.00 ATOM 182 CG ASP A 24 15.259 5.232 0.826 1.00 0.00 ATOM 183 OD1 ASP A 24 15.483 4.297 0.026 1.00 0.00 ATOM 184 OD2 ASP A 24 14.998 5.047 2.034 1.00 0.00 ATOM 185 O ASP A 24 18.272 5.436 -0.628 1.00 0.00 ATOM 186 C ASP A 24 17.429 6.267 -0.978 1.00 0.00 ATOM 187 N GLU A 25 17.081 6.450 -2.246 1.00 0.00 ATOM 188 CA GLU A 25 17.692 5.664 -3.318 1.00 0.00 ATOM 189 CB GLU A 25 17.169 6.171 -4.654 1.00 0.00 ATOM 190 CG GLU A 25 17.746 5.579 -5.914 1.00 0.00 ATOM 191 CD GLU A 25 16.980 6.015 -7.170 1.00 0.00 ATOM 192 OE1 GLU A 25 16.403 7.151 -7.187 1.00 0.00 ATOM 193 OE2 GLU A 25 16.959 5.225 -8.150 1.00 0.00 ATOM 194 O GLU A 25 19.912 4.788 -3.516 1.00 0.00 ATOM 195 C GLU A 25 19.208 5.784 -3.337 1.00 0.00 ATOM 196 N LEU A 26 19.708 6.996 -3.150 1.00 0.00 ATOM 197 CA LEU A 26 21.144 7.222 -3.154 1.00 0.00 ATOM 198 CB LEU A 26 21.452 8.715 -3.344 1.00 0.00 ATOM 199 CG LEU A 26 20.917 9.324 -4.645 1.00 0.00 ATOM 200 CD1 LEU A 26 21.386 10.763 -4.767 1.00 0.00 ATOM 201 CD2 LEU A 26 21.401 8.510 -5.842 1.00 0.00 ATOM 202 O LEU A 26 22.922 6.163 -1.943 1.00 0.00 ATOM 203 C LEU A 26 21.809 6.686 -1.890 1.00 0.00 ATOM 204 N PHE A 27 21.139 6.792 -0.752 1.00 0.00 ATOM 205 CA PHE A 27 21.703 6.284 0.493 1.00 0.00 ATOM 206 CB PHE A 27 21.585 7.256 1.614 1.00 0.00 ATOM 207 CG PHE A 27 22.344 8.533 1.368 1.00 0.00 ATOM 208 CD1 PHE A 27 23.657 8.495 0.908 1.00 0.00 ATOM 209 CD2 PHE A 27 21.749 9.769 1.593 1.00 0.00 ATOM 210 CE1 PHE A 27 24.367 9.669 0.675 1.00 0.00 ATOM 211 CE2 PHE A 27 22.452 10.952 1.362 1.00 0.00 ATOM 212 CZ PHE A 27 23.763 10.901 0.901 1.00 0.00 ATOM 213 O PHE A 27 21.696 4.032 1.298 1.00 0.00 ATOM 214 C PHE A 27 21.030 5.004 0.935 1.00 0.00 ATOM 215 N TYR A 28 19.651 5.046 1.151 1.00 0.00 ATOM 216 CA TYR A 28 18.904 3.926 1.649 1.00 0.00 ATOM 217 CB TYR A 28 17.807 4.379 2.625 1.00 0.00 ATOM 218 CG TYR A 28 18.324 4.727 4.005 1.00 0.00 ATOM 219 CD1 TYR A 28 18.907 5.957 4.274 1.00 0.00 ATOM 220 CD2 TYR A 28 18.201 3.829 5.047 1.00 0.00 ATOM 221 CE1 TYR A 28 19.409 6.251 5.533 1.00 0.00 ATOM 222 CE2 TYR A 28 18.673 4.110 6.323 1.00 0.00 ATOM 223 CZ TYR A 28 19.279 5.329 6.543 1.00 0.00 ATOM 224 OH TYR A 28 19.757 5.611 7.812 1.00 0.00 ATOM 225 O TYR A 28 18.225 3.768 -0.624 1.00 0.00 ATOM 226 C TYR A 28 18.272 3.227 0.468 1.00 0.00 ATOM 227 N CYS A 29 17.810 2.004 0.719 1.00 0.00 ATOM 228 CA CYS A 29 17.140 1.245 -0.326 1.00 0.00 ATOM 229 CB CYS A 29 17.070 -0.215 0.069 1.00 0.00 ATOM 230 SG CYS A 29 18.672 -1.023 0.159 1.00 0.00 ATOM 231 O CYS A 29 15.460 1.968 -1.830 1.00 0.00 ATOM 232 C CYS A 29 15.758 1.830 -0.635 1.00 0.00 ATOM 233 N TYR A 30 14.996 0.197 -1.659 1.00 0.00 ATOM 234 CA TYR A 30 13.948 0.193 -2.672 1.00 0.00 ATOM 235 CB TYR A 30 14.102 -1.014 -3.598 1.00 0.00 ATOM 236 CG TYR A 30 13.027 -1.116 -4.657 1.00 0.00 ATOM 237 CD1 TYR A 30 13.088 -0.342 -5.808 1.00 0.00 ATOM 238 CD2 TYR A 30 11.957 -1.988 -4.503 1.00 0.00 ATOM 239 CE1 TYR A 30 12.109 -0.428 -6.780 1.00 0.00 ATOM 240 CE2 TYR A 30 10.970 -2.087 -5.465 1.00 0.00 ATOM 241 CZ TYR A 30 11.055 -1.298 -6.611 1.00 0.00 ATOM 242 OH TYR A 30 10.080 -1.385 -7.578 1.00 0.00 ATOM 243 O TYR A 30 11.655 0.861 -2.392 1.00 0.00 ATOM 244 C TYR A 30 12.571 0.125 -2.018 1.00 0.00 ATOM 245 N PRO A 31 12.429 -0.769 -1.045 1.00 0.00 ATOM 246 CA PRO A 31 11.160 -0.938 -0.343 1.00 0.00 ATOM 247 CB PRO A 31 11.376 -2.091 0.594 1.00 0.00 ATOM 248 CG PRO A 31 12.382 -2.939 -0.106 1.00 0.00 ATOM 249 CD PRO A 31 13.347 -1.907 -0.692 1.00 0.00 ATOM 250 O PRO A 31 9.586 0.758 0.310 1.00 0.00 ATOM 251 C PRO A 31 10.737 0.331 0.400 1.00 0.00 ATOM 252 N LYS A 32 11.670 0.944 1.119 1.00 0.00 ATOM 253 CA LYS A 32 11.358 2.156 1.868 1.00 0.00 ATOM 254 CB LYS A 32 12.554 2.565 2.715 1.00 0.00 ATOM 255 CG LYS A 32 12.752 1.697 3.918 1.00 0.00 ATOM 256 CD LYS A 32 14.009 2.077 4.703 1.00 0.00 ATOM 257 CE LYS A 32 14.061 1.227 5.968 1.00 0.00 ATOM 258 NZ LYS A 32 15.239 1.574 6.790 1.00 0.00 ATOM 259 O LYS A 32 10.122 4.139 1.266 1.00 0.00 ATOM 260 C LYS A 32 11.028 3.351 0.969 1.00 0.00 ATOM 261 N ALA A 33 11.777 3.495 -0.121 1.00 0.00 ATOM 262 CA ALA A 33 11.532 4.576 -1.064 1.00 0.00 ATOM 263 CB ALA A 33 12.530 4.501 -2.210 1.00 0.00 ATOM 264 O ALA A 33 9.420 5.483 -1.783 1.00 0.00 ATOM 265 C ALA A 33 10.123 4.476 -1.645 1.00 0.00 ATOM 266 N ILE A 34 9.687 3.252 -1.932 1.00 0.00 ATOM 267 CA ILE A 34 8.358 3.040 -2.490 1.00 0.00 ATOM 268 CB ILE A 34 8.194 1.605 -3.025 1.00 0.00 ATOM 269 CG1 ILE A 34 9.184 1.342 -4.161 1.00 0.00 ATOM 270 CG2 ILE A 34 6.783 1.392 -3.554 1.00 0.00 ATOM 271 CD1 ILE A 34 9.038 2.292 -5.328 1.00 0.00 ATOM 272 O ILE A 34 6.153 3.736 -1.797 1.00 0.00 ATOM 273 C ILE A 34 7.239 3.257 -1.468 1.00 0.00 ATOM 274 N TRP A 35 7.299 2.434 -0.262 1.00 0.00 ATOM 275 CA TRP A 35 6.176 2.340 0.665 1.00 0.00 ATOM 276 CB TRP A 35 6.156 0.851 1.232 1.00 0.00 ATOM 277 CG TRP A 35 4.988 0.636 2.126 1.00 0.00 ATOM 278 CD1 TRP A 35 3.690 0.348 1.786 1.00 0.00 ATOM 279 CD2 TRP A 35 4.990 0.772 3.557 1.00 0.00 ATOM 280 CE2 TRP A 35 3.673 0.550 4.016 1.00 0.00 ATOM 281 CE3 TRP A 35 5.990 1.070 4.485 1.00 0.00 ATOM 282 NE1 TRP A 35 2.912 0.261 2.914 1.00 0.00 ATOM 283 CZ2 TRP A 35 3.319 0.594 5.354 1.00 0.00 ATOM 284 CZ3 TRP A 35 5.636 1.124 5.805 1.00 0.00 ATOM 285 CH2 TRP A 35 4.330 0.905 6.271 1.00 0.00 ATOM 286 O TRP A 35 5.235 3.964 2.158 1.00 0.00 ATOM 287 C TRP A 35 6.219 3.281 1.878 1.00 0.00 ATOM 288 N PRO A 36 7.359 3.343 2.595 1.00 0.00 ATOM 289 CA PRO A 36 7.456 4.235 3.757 1.00 0.00 ATOM 290 CB PRO A 36 8.720 3.772 4.572 1.00 0.00 ATOM 291 CG PRO A 36 9.125 2.517 3.856 1.00 0.00 ATOM 292 CD PRO A 36 8.351 2.339 2.563 1.00 0.00 ATOM 293 O PRO A 36 6.900 6.492 4.338 1.00 0.00 ATOM 294 C PRO A 36 7.322 5.721 3.474 1.00 0.00 ATOM 295 N PHE A 37 7.654 6.131 2.259 1.00 0.00 ATOM 296 CA PHE A 37 7.623 7.549 1.942 1.00 0.00 ATOM 297 CB PHE A 37 9.074 7.990 1.562 1.00 0.00 ATOM 298 CG PHE A 37 10.102 7.737 2.637 1.00 0.00 ATOM 299 CD1 PHE A 37 11.045 6.725 2.508 1.00 0.00 ATOM 300 CD2 PHE A 37 10.084 8.477 3.808 1.00 0.00 ATOM 301 CE1 PHE A 37 11.979 6.482 3.520 1.00 0.00 ATOM 302 CE2 PHE A 37 11.009 8.233 4.820 1.00 0.00 ATOM 303 CZ PHE A 37 11.957 7.234 4.673 1.00 0.00 ATOM 304 O PHE A 37 6.775 9.061 0.285 1.00 0.00 ATOM 305 C PHE A 37 6.604 8.007 0.907 1.00 0.00 ATOM 306 N SER A 38 5.555 7.220 0.690 1.00 0.00 ATOM 307 CA SER A 38 4.548 7.633 -0.262 1.00 0.00 ATOM 308 CB SER A 38 3.576 6.486 -0.547 1.00 0.00 ATOM 309 OG SER A 38 2.799 6.177 0.595 1.00 0.00 ATOM 310 O SER A 38 4.143 9.263 1.443 1.00 0.00 ATOM 311 C SER A 38 3.909 8.899 0.294 1.00 0.00 ATOM 312 N VAL A 39 3.095 9.585 -0.475 1.00 0.00 ATOM 313 CA VAL A 39 2.432 10.794 -0.005 1.00 0.00 ATOM 314 CB VAL A 39 1.619 11.439 -1.192 1.00 0.00 ATOM 315 CG1 VAL A 39 0.656 12.506 -0.731 1.00 0.00 ATOM 316 CG2 VAL A 39 2.513 11.967 -2.251 1.00 0.00 ATOM 317 O VAL A 39 1.531 11.245 2.172 1.00 0.00 ATOM 318 C VAL A 39 1.479 10.539 1.161 1.00 0.00 ATOM 319 N ALA A 40 0.648 9.554 1.036 1.00 0.00 ATOM 320 CA ALA A 40 -0.311 9.223 2.091 1.00 0.00 ATOM 321 CB ALA A 40 -1.179 8.050 1.658 1.00 0.00 ATOM 322 O ALA A 40 0.029 9.237 4.469 1.00 0.00 ATOM 323 C ALA A 40 0.426 8.851 3.362 1.00 0.00 ATOM 324 N GLN A 41 1.491 8.038 3.215 1.00 0.00 ATOM 325 CA GLN A 41 2.234 7.639 4.373 1.00 0.00 ATOM 326 CB GLN A 41 3.363 6.724 3.894 1.00 0.00 ATOM 327 CG GLN A 41 4.231 6.174 5.012 1.00 0.00 ATOM 328 CD GLN A 41 3.468 5.253 5.945 1.00 0.00 ATOM 329 OE1 GLN A 41 2.725 4.379 5.498 1.00 0.00 ATOM 330 NE2 GLN A 41 3.650 5.447 7.244 1.00 0.00 ATOM 331 O GLN A 41 2.808 8.963 6.282 1.00 0.00 ATOM 332 C GLN A 41 2.871 8.840 5.060 1.00 0.00 ATOM 333 N LEU A 42 3.473 9.747 4.280 1.00 0.00 ATOM 334 CA LEU A 42 4.106 10.927 4.861 1.00 0.00 ATOM 335 CB LEU A 42 4.881 11.696 3.788 1.00 0.00 ATOM 336 CG LEU A 42 6.132 11.010 3.234 1.00 0.00 ATOM 337 CD1 LEU A 42 6.705 11.801 2.068 1.00 0.00 ATOM 338 CD2 LEU A 42 7.204 10.902 4.308 1.00 0.00 ATOM 339 O LEU A 42 3.368 12.464 6.530 1.00 0.00 ATOM 340 C LEU A 42 3.117 11.857 5.487 1.00 0.00 ATOM 341 N ALA A 43 1.949 11.963 4.882 1.00 0.00 ATOM 342 CA ALA A 43 0.913 12.829 5.413 1.00 0.00 ATOM 343 CB ALA A 43 -0.304 12.815 4.501 1.00 0.00 ATOM 344 O ALA A 43 0.350 13.142 7.737 1.00 0.00 ATOM 345 C ALA A 43 0.524 12.341 6.813 1.00 0.00 ATOM 346 N ALA A 44 0.406 11.024 6.970 1.00 0.00 ATOM 347 CA ALA A 44 0.057 10.431 8.259 1.00 0.00 ATOM 348 CB ALA A 44 -0.092 8.924 8.128 1.00 0.00 ATOM 349 O ALA A 44 0.833 11.131 10.423 1.00 0.00 ATOM 350 C ALA A 44 1.133 10.711 9.301 1.00 0.00 ATOM 351 N ALA A 45 2.390 10.488 8.923 1.00 0.00 ATOM 352 CA ALA A 45 3.512 10.682 9.837 1.00 0.00 ATOM 353 CB ALA A 45 4.818 10.297 9.163 1.00 0.00 ATOM 354 O ALA A 45 3.921 12.457 11.403 1.00 0.00 ATOM 355 C ALA A 45 3.605 12.150 10.256 1.00 0.00 ATOM 356 N ILE A 46 3.415 13.039 9.322 1.00 0.00 ATOM 357 CA ILE A 46 3.533 14.459 9.600 1.00 0.00 ATOM 358 CB ILE A 46 3.334 15.287 8.308 1.00 0.00 ATOM 359 CG1 ILE A 46 4.584 15.081 7.422 1.00 0.00 ATOM 360 CG2 ILE A 46 3.129 16.775 8.600 1.00 0.00 ATOM 361 CD1 ILE A 46 4.302 15.382 5.939 1.00 0.00 ATOM 362 O ILE A 46 2.834 15.672 11.549 1.00 0.00 ATOM 363 C ILE A 46 2.520 14.895 10.644 1.00 0.00 ATOM 364 N ALA A 47 1.309 14.386 10.513 1.00 0.00 ATOM 365 CA ALA A 47 0.284 14.766 11.496 1.00 0.00 ATOM 366 CB ALA A 47 -1.076 14.165 11.095 1.00 0.00 ATOM 367 O ALA A 47 0.574 15.061 13.861 1.00 0.00 ATOM 368 C ALA A 47 0.708 14.316 12.883 1.00 0.00 ATOM 369 N GLU A 48 1.236 13.098 12.974 1.00 0.00 ATOM 370 CA GLU A 48 1.658 12.641 14.306 1.00 0.00 ATOM 371 CB GLU A 48 2.069 11.156 14.233 1.00 0.00 ATOM 372 CG GLU A 48 0.917 10.173 13.974 1.00 0.00 ATOM 373 CD GLU A 48 0.007 9.918 15.148 1.00 0.00 ATOM 374 OE1 GLU A 48 0.146 10.594 16.174 1.00 0.00 ATOM 375 OE2 GLU A 48 -0.849 9.003 14.996 1.00 0.00 ATOM 376 O GLU A 48 2.884 13.804 16.051 1.00 0.00 ATOM 377 C GLU A 48 2.808 13.497 14.833 1.00 0.00 ATOM 378 N ARG A 49 2.675 11.714 16.363 1.00 0.00 ATOM 379 CA ARG A 49 3.933 11.409 17.036 1.00 0.00 ATOM 380 CB ARG A 49 3.585 10.377 18.174 1.00 0.00 ATOM 381 CG ARG A 49 4.548 10.335 19.342 1.00 0.00 ATOM 382 CD ARG A 49 4.017 9.405 20.419 1.00 0.00 ATOM 383 NE ARG A 49 3.847 8.046 19.915 1.00 0.00 ATOM 384 CZ ARG A 49 3.087 7.124 20.494 1.00 0.00 ATOM 385 NH1 ARG A 49 2.418 7.413 21.601 1.00 0.00 ATOM 386 NH2 ARG A 49 2.995 5.909 19.964 1.00 0.00 ATOM 387 O ARG A 49 6.245 10.989 16.549 1.00 0.00 ATOM 388 C ARG A 49 5.166 11.427 16.143 1.00 0.00 ATOM 389 N ARG A 50 4.993 11.943 14.930 1.00 0.00 ATOM 390 CA ARG A 50 6.073 12.055 13.957 1.00 0.00 ATOM 391 CB ARG A 50 5.913 11.013 12.856 1.00 0.00 ATOM 392 CG ARG A 50 5.987 9.602 13.394 1.00 0.00 ATOM 393 CD ARG A 50 6.004 8.540 12.317 1.00 0.00 ATOM 394 NE ARG A 50 5.953 7.217 12.923 1.00 0.00 ATOM 395 CZ ARG A 50 5.817 6.089 12.238 1.00 0.00 ATOM 396 NH1 ARG A 50 5.707 6.121 10.914 1.00 0.00 ATOM 397 NH2 ARG A 50 5.783 4.931 12.885 1.00 0.00 ATOM 398 O ARG A 50 5.139 14.152 13.272 1.00 0.00 ATOM 399 C ARG A 50 6.161 13.485 13.446 1.00 0.00 ATOM 400 N GLY A 51 7.380 13.956 13.213 1.00 0.00 ATOM 401 CA GLY A 51 7.563 15.307 12.715 1.00 0.00 ATOM 402 O GLY A 51 9.768 14.744 11.923 1.00 0.00 ATOM 403 C GLY A 51 8.704 15.332 11.703 1.00 0.00 ATOM 404 N SER A 52 8.456 15.993 10.576 1.00 0.00 ATOM 405 CA SER A 52 9.439 16.122 9.505 1.00 0.00 ATOM 406 CB SER A 52 8.832 15.672 8.176 1.00 0.00 ATOM 407 OG SER A 52 9.725 15.906 7.101 1.00 0.00 ATOM 408 O SER A 52 9.048 18.473 9.572 1.00 0.00 ATOM 409 C SER A 52 9.869 17.578 9.403 1.00 0.00 ATOM 410 N THR A 53 11.146 17.804 9.104 1.00 0.00 ATOM 411 CA THR A 53 11.678 19.152 8.931 1.00 0.00 ATOM 412 CB THR A 53 12.516 19.592 10.144 1.00 0.00 ATOM 413 CG2 THR A 53 13.047 21.004 9.941 1.00 0.00 ATOM 414 OG1 THR A 53 11.701 19.569 11.324 1.00 0.00 ATOM 415 O THR A 53 13.196 18.201 7.336 1.00 0.00 ATOM 416 C THR A 53 12.518 19.169 7.660 1.00 0.00 ATOM 417 N VAL A 54 12.479 20.279 6.938 1.00 0.00 ATOM 418 CA VAL A 54 13.273 20.444 5.728 1.00 0.00 ATOM 419 CB VAL A 54 12.490 21.010 4.529 1.00 0.00 ATOM 420 CG1 VAL A 54 13.426 21.274 3.358 1.00 0.00 ATOM 421 CG2 VAL A 54 11.422 20.026 4.078 1.00 0.00 ATOM 422 O VAL A 54 14.044 22.511 6.736 1.00 0.00 ATOM 423 C VAL A 54 14.335 21.525 6.046 1.00 0.00 ATOM 424 N ALA A 55 15.531 21.265 5.642 1.00 0.00 ATOM 425 CA ALA A 55 16.616 22.236 5.815 1.00 0.00 ATOM 426 CB ALA A 55 17.841 21.538 6.368 1.00 0.00 ATOM 427 O ALA A 55 17.007 22.136 3.447 1.00 0.00 ATOM 428 C ALA A 55 16.954 22.842 4.455 1.00 0.00 ATOM 429 N VAL A 56 17.133 24.157 4.433 1.00 0.00 ATOM 430 CA VAL A 56 17.433 24.879 3.199 1.00 0.00 ATOM 431 CB VAL A 56 16.320 25.887 2.856 1.00 0.00 ATOM 432 CG1 VAL A 56 15.005 25.165 2.607 1.00 0.00 ATOM 433 CG2 VAL A 56 16.120 26.869 4.001 1.00 0.00 ATOM 434 O VAL A 56 19.089 26.185 4.339 1.00 0.00 ATOM 435 C VAL A 56 18.707 25.700 3.276 1.00 0.00 ATOM 436 N HIS A 57 19.363 25.848 2.131 1.00 0.00 ATOM 437 CA HIS A 57 20.569 26.649 2.024 1.00 0.00 ATOM 438 CB HIS A 57 21.776 25.732 1.827 1.00 0.00 ATOM 439 CG HIS A 57 23.084 26.457 1.771 1.00 0.00 ATOM 440 CD2 HIS A 57 24.004 26.858 0.717 1.00 0.00 ATOM 441 ND1 HIS A 57 23.720 26.934 2.896 1.00 0.00 ATOM 442 CE1 HIS A 57 24.866 27.537 2.530 1.00 0.00 ATOM 443 NE2 HIS A 57 25.041 27.494 1.223 1.00 0.00 ATOM 444 O HIS A 57 20.138 27.072 -0.298 1.00 0.00 ATOM 445 C HIS A 57 20.337 27.554 0.817 1.00 0.00 ATOM 446 N ASP A 58 20.291 28.860 1.057 1.00 0.00 ATOM 447 CA ASP A 58 20.060 29.820 -0.014 1.00 0.00 ATOM 448 CB ASP A 58 21.176 29.715 -1.056 1.00 0.00 ATOM 449 CG ASP A 58 22.531 30.095 -0.497 1.00 0.00 ATOM 450 OD1 ASP A 58 22.639 31.176 0.119 1.00 0.00 ATOM 451 OD2 ASP A 58 23.488 29.312 -0.674 1.00 0.00 ATOM 452 O ASP A 58 18.581 29.763 -1.914 1.00 0.00 ATOM 453 C ASP A 58 18.711 29.585 -0.700 1.00 0.00 ATOM 454 N GLY A 59 17.698 29.182 0.070 1.00 0.00 ATOM 455 CA GLY A 59 16.365 28.940 -0.455 1.00 0.00 ATOM 456 O GLY A 59 15.143 27.296 -1.703 1.00 0.00 ATOM 457 C GLY A 59 16.218 27.612 -1.194 1.00 0.00 ATOM 458 N GLN A 60 17.263 26.871 -1.261 1.00 0.00 ATOM 459 CA GLN A 60 17.246 25.577 -1.938 1.00 0.00 ATOM 460 CB GLN A 60 18.569 25.417 -2.689 1.00 0.00 ATOM 461 CG GLN A 60 18.664 26.492 -3.783 1.00 0.00 ATOM 462 CD GLN A 60 17.468 26.384 -4.715 1.00 0.00 ATOM 463 OE1 GLN A 60 17.238 25.329 -5.317 1.00 0.00 ATOM 464 NE2 GLN A 60 16.696 27.459 -4.831 1.00 0.00 ATOM 465 O GLN A 60 17.965 24.385 0.008 1.00 0.00 ATOM 466 C GLN A 60 17.208 24.408 -0.957 1.00 0.00 ATOM 467 N VAL A 61 16.320 23.446 -1.207 1.00 0.00 ATOM 468 CA VAL A 61 16.192 22.278 -0.339 1.00 0.00 ATOM 469 CB VAL A 61 15.050 21.354 -0.800 1.00 0.00 ATOM 470 CG1 VAL A 61 14.998 20.100 0.057 1.00 0.00 ATOM 471 CG2 VAL A 61 13.710 22.068 -0.689 1.00 0.00 ATOM 472 O VAL A 61 17.986 21.054 -1.434 1.00 0.00 ATOM 473 C VAL A 61 17.503 21.502 -0.360 1.00 0.00 ATOM 474 N LEU A 62 18.102 21.363 0.820 1.00 0.00 ATOM 475 CA LEU A 62 19.355 20.611 0.961 1.00 0.00 ATOM 476 CB LEU A 62 20.365 21.431 1.766 1.00 0.00 ATOM 477 CG LEU A 62 20.736 22.802 1.194 1.00 0.00 ATOM 478 CD1 LEU A 62 21.680 23.539 2.134 1.00 0.00 ATOM 479 CD2 LEU A 62 21.426 22.653 -0.153 1.00 0.00 ATOM 480 O LEU A 62 20.178 18.447 1.559 1.00 0.00 ATOM 481 C LEU A 62 19.263 19.257 1.663 1.00 0.00 ATOM 482 N GLY A 63 18.144 19.192 2.563 1.00 0.00 ATOM 483 CA GLY A 63 17.927 17.899 3.186 1.00 0.00 ATOM 484 O GLY A 63 16.030 18.901 4.221 1.00 0.00 ATOM 485 C GLY A 63 16.752 17.913 4.136 1.00 0.00 ATOM 486 N PHE A 64 16.534 16.814 4.845 1.00 0.00 ATOM 487 CA PHE A 64 15.420 16.769 5.782 1.00 0.00 ATOM 488 CB PHE A 64 14.098 16.328 5.142 1.00 0.00 ATOM 489 CG PHE A 64 13.946 14.864 4.818 1.00 0.00 ATOM 490 CD1 PHE A 64 14.716 14.254 3.821 1.00 0.00 ATOM 491 CD2 PHE A 64 13.048 14.058 5.519 1.00 0.00 ATOM 492 CE1 PHE A 64 14.565 12.906 3.543 1.00 0.00 ATOM 493 CE2 PHE A 64 12.871 12.724 5.229 1.00 0.00 ATOM 494 CZ PHE A 64 13.650 12.167 4.243 1.00 0.00 ATOM 495 O PHE A 64 16.592 14.956 6.834 1.00 0.00 ATOM 496 C PHE A 64 15.657 15.758 6.886 1.00 0.00 ATOM 497 N ALA A 65 14.803 15.828 7.898 1.00 0.00 ATOM 498 CA ALA A 65 14.859 14.911 9.022 1.00 0.00 ATOM 499 CB ALA A 65 15.612 15.538 10.189 1.00 0.00 ATOM 500 O ALA A 65 12.591 15.391 9.544 1.00 0.00 ATOM 501 C ALA A 65 13.453 14.521 9.460 1.00 0.00 ATOM 502 N ASN A 66 13.272 13.244 9.755 1.00 0.00 ATOM 503 CA ASN A 66 11.995 12.761 10.284 1.00 0.00 ATOM 504 CB ASN A 66 11.521 11.588 9.449 1.00 0.00 ATOM 505 CG ASN A 66 10.171 11.091 9.917 1.00 0.00 ATOM 506 ND2 ASN A 66 9.383 10.568 8.980 1.00 0.00 ATOM 507 OD1 ASN A 66 9.843 11.156 11.097 1.00 0.00 ATOM 508 O ASN A 66 13.055 11.248 11.796 1.00 0.00 ATOM 509 C ASN A 66 12.259 12.179 11.656 1.00 0.00 ATOM 510 N PHE A 67 11.580 12.711 12.668 1.00 0.00 ATOM 511 CA PHE A 67 11.738 12.220 14.032 1.00 0.00 ATOM 512 CB PHE A 67 12.149 13.362 14.963 1.00 0.00 ATOM 513 CG PHE A 67 11.116 14.442 15.091 1.00 0.00 ATOM 514 CD1 PHE A 67 10.140 14.374 16.072 1.00 0.00 ATOM 515 CD2 PHE A 67 11.116 15.527 14.233 1.00 0.00 ATOM 516 CE1 PHE A 67 9.187 15.369 16.190 1.00 0.00 ATOM 517 CE2 PHE A 67 10.163 16.521 14.350 1.00 0.00 ATOM 518 CZ PHE A 67 9.202 16.445 15.323 1.00 0.00 ATOM 519 O PHE A 67 9.345 12.023 14.103 1.00 0.00 ATOM 520 C PHE A 67 10.427 11.610 14.529 1.00 0.00 ATOM 521 N TYR A 68 10.537 10.647 15.451 1.00 0.00 ATOM 522 CA TYR A 68 9.385 9.983 16.039 1.00 0.00 ATOM 523 CB TYR A 68 9.268 8.532 15.553 1.00 0.00 ATOM 524 CG TYR A 68 8.137 7.769 16.208 1.00 0.00 ATOM 525 CD1 TYR A 68 6.807 8.156 16.025 1.00 0.00 ATOM 526 CD2 TYR A 68 8.392 6.660 17.011 1.00 0.00 ATOM 527 CE1 TYR A 68 5.760 7.457 16.623 1.00 0.00 ATOM 528 CE2 TYR A 68 7.349 5.951 17.619 1.00 0.00 ATOM 529 CZ TYR A 68 6.041 6.354 17.418 1.00 0.00 ATOM 530 OH TYR A 68 5.019 5.651 18.011 1.00 0.00 ATOM 531 O TYR A 68 10.534 9.664 18.111 1.00 0.00 ATOM 532 C TYR A 68 9.577 10.172 17.537 1.00 0.00 ATOM 533 N GLN A 69 8.681 10.930 18.153 1.00 0.00 ATOM 534 CA GLN A 69 8.777 11.221 19.573 1.00 0.00 ATOM 535 CB GLN A 69 8.592 12.728 19.801 1.00 0.00 ATOM 536 CG GLN A 69 9.280 13.300 21.028 1.00 0.00 ATOM 537 CD GLN A 69 8.672 12.895 22.364 1.00 0.00 ATOM 538 OE1 GLN A 69 9.401 12.698 23.336 1.00 0.00 ATOM 539 NE2 GLN A 69 7.339 12.801 22.433 1.00 0.00 ATOM 540 O GLN A 69 6.581 10.548 20.256 1.00 0.00 ATOM 541 C GLN A 69 7.796 10.439 20.423 1.00 0.00 ATOM 542 N TRP A 70 8.218 9.439 21.294 1.00 0.00 ATOM 543 CA TRP A 70 7.366 8.638 22.155 1.00 0.00 ATOM 544 CB TRP A 70 8.057 7.305 22.329 1.00 0.00 ATOM 545 CG TRP A 70 7.358 6.250 23.179 1.00 0.00 ATOM 546 CD1 TRP A 70 6.235 6.452 23.950 1.00 0.00 ATOM 547 CD2 TRP A 70 7.736 4.898 23.273 1.00 0.00 ATOM 548 CE2 TRP A 70 6.821 4.281 24.176 1.00 0.00 ATOM 549 CE3 TRP A 70 8.744 4.114 22.701 1.00 0.00 ATOM 550 NE1 TRP A 70 5.969 5.239 24.593 1.00 0.00 ATOM 551 CZ2 TRP A 70 6.968 2.960 24.562 1.00 0.00 ATOM 552 CZ3 TRP A 70 8.824 2.774 23.005 1.00 0.00 ATOM 553 CH2 TRP A 70 7.938 2.210 23.953 1.00 0.00 ATOM 554 O TRP A 70 8.099 9.360 24.321 1.00 0.00 ATOM 555 C TRP A 70 7.235 9.429 23.445 1.00 0.00 ATOM 556 N GLN A 71 6.161 10.202 23.543 1.00 0.00 ATOM 557 CA GLN A 71 5.923 11.042 24.709 1.00 0.00 ATOM 558 CB GLN A 71 4.672 11.909 24.497 1.00 0.00 ATOM 559 CG GLN A 71 4.704 12.787 23.254 1.00 0.00 ATOM 560 CD GLN A 71 3.359 13.454 23.018 1.00 0.00 ATOM 561 OE1 GLN A 71 3.038 13.864 21.898 1.00 0.00 ATOM 562 NE2 GLN A 71 2.574 13.555 24.085 1.00 0.00 ATOM 563 O GLN A 71 5.950 10.762 27.085 1.00 0.00 ATOM 564 C GLN A 71 5.688 10.259 25.997 1.00 0.00 ATOM 565 N HIS A 72 5.216 9.021 25.864 1.00 0.00 ATOM 566 CA HIS A 72 4.940 8.167 27.017 1.00 0.00 ATOM 567 CB HIS A 72 3.918 7.084 26.589 1.00 0.00 ATOM 568 CG HIS A 72 2.549 7.623 26.319 1.00 0.00 ATOM 569 CD2 HIS A 72 2.023 8.210 25.221 1.00 0.00 ATOM 570 ND1 HIS A 72 1.551 7.621 27.269 1.00 0.00 ATOM 571 CE1 HIS A 72 0.462 8.171 26.760 1.00 0.00 ATOM 572 NE2 HIS A 72 0.723 8.538 25.517 1.00 0.00 ATOM 573 O HIS A 72 6.155 7.378 28.924 1.00 0.00 ATOM 574 C HIS A 72 6.204 7.717 27.743 1.00 0.00 ATOM 575 N GLY A 73 7.338 7.739 27.047 1.00 0.00 ATOM 576 CA GLY A 73 8.606 7.324 27.649 1.00 0.00 ATOM 577 O GLY A 73 10.814 8.216 27.977 1.00 0.00 ATOM 578 C GLY A 73 9.705 8.374 27.467 1.00 0.00 ATOM 579 N ASP A 74 9.216 9.493 26.774 1.00 0.00 ATOM 580 CA ASP A 74 10.191 10.557 26.554 1.00 0.00 ATOM 581 CB ASP A 74 10.515 11.302 27.892 1.00 0.00 ATOM 582 CG ASP A 74 9.337 11.738 28.705 1.00 0.00 ATOM 583 OD1 ASP A 74 8.253 12.040 28.186 1.00 0.00 ATOM 584 OD2 ASP A 74 9.373 11.792 29.946 1.00 0.00 ATOM 585 O ASP A 74 12.568 10.283 26.263 1.00 0.00 ATOM 586 C ASP A 74 11.437 10.048 25.837 1.00 0.00 ATOM 587 N PHE A 75 11.202 9.309 24.758 1.00 0.00 ATOM 588 CA PHE A 75 12.263 8.764 23.917 1.00 0.00 ATOM 589 CB PHE A 75 11.762 7.191 23.812 1.00 0.00 ATOM 590 CG PHE A 75 12.219 6.388 24.991 1.00 0.00 ATOM 591 CD1 PHE A 75 13.506 5.855 25.026 1.00 0.00 ATOM 592 CD2 PHE A 75 11.380 6.194 26.081 1.00 0.00 ATOM 593 CE1 PHE A 75 13.948 5.142 26.141 1.00 0.00 ATOM 594 CE2 PHE A 75 11.816 5.485 27.200 1.00 0.00 ATOM 595 CZ PHE A 75 13.102 4.958 27.227 1.00 0.00 ATOM 596 O PHE A 75 10.958 8.941 21.930 1.00 0.00 ATOM 597 C PHE A 75 12.072 9.160 22.436 1.00 0.00 ATOM 598 N CYS A 76 13.322 9.568 21.859 1.00 0.00 ATOM 599 CA CYS A 76 13.109 9.961 20.464 1.00 0.00 ATOM 600 CB CYS A 76 13.324 11.488 20.304 1.00 0.00 ATOM 601 SG CYS A 76 12.612 12.514 21.597 1.00 0.00 ATOM 602 O CYS A 76 15.087 8.929 19.623 1.00 0.00 ATOM 603 C CYS A 76 13.924 9.244 19.403 1.00 0.00 ATOM 604 N ALA A 77 13.308 8.965 18.263 1.00 0.00 ATOM 605 CA ALA A 77 14.003 8.288 17.182 1.00 0.00 ATOM 606 CB ALA A 77 13.191 7.098 16.694 1.00 0.00 ATOM 607 O ALA A 77 13.330 9.925 15.560 1.00 0.00 ATOM 608 C ALA A 77 14.225 9.182 15.962 1.00 0.00 ATOM 609 N LEU A 78 15.430 9.124 15.400 1.00 0.00 ATOM 610 CA LEU A 78 15.722 9.842 14.169 1.00 0.00 ATOM 611 CB LEU A 78 17.037 10.630 14.359 1.00 0.00 ATOM 612 CG LEU A 78 17.205 11.488 15.612 1.00 0.00 ATOM 613 CD1 LEU A 78 18.609 12.119 15.580 1.00 0.00 ATOM 614 CD2 LEU A 78 16.083 12.540 15.689 1.00 0.00 ATOM 615 O LEU A 78 16.346 7.850 12.996 1.00 0.00 ATOM 616 C LEU A 78 15.486 8.710 13.174 1.00 0.00 ATOM 617 N GLY A 79 14.306 8.687 12.561 1.00 0.00 ATOM 618 CA GLY A 79 13.964 7.625 11.626 1.00 0.00 ATOM 619 O GLY A 79 15.058 6.877 9.625 1.00 0.00 ATOM 620 C GLY A 79 14.588 7.832 10.256 1.00 0.00 ATOM 621 N ASN A 80 14.587 9.084 9.805 1.00 0.00 ATOM 622 CA ASN A 80 15.139 9.449 8.507 1.00 0.00 ATOM 623 CB ASN A 80 14.020 9.659 7.487 1.00 0.00 ATOM 624 CG ASN A 80 13.204 8.401 7.252 1.00 0.00 ATOM 625 ND2 ASN A 80 12.017 8.348 7.846 1.00 0.00 ATOM 626 OD1 ASN A 80 13.638 7.491 6.547 1.00 0.00 ATOM 627 O ASN A 80 15.524 11.685 9.260 1.00 0.00 ATOM 628 C ASN A 80 15.931 10.744 8.590 1.00 0.00 ATOM 629 N MET A 81 17.083 10.769 7.927 1.00 0.00 ATOM 630 CA MET A 81 17.911 11.963 7.878 1.00 0.00 ATOM 631 CB MET A 81 18.881 11.944 9.051 1.00 0.00 ATOM 632 CG MET A 81 19.717 13.185 9.201 1.00 0.00 ATOM 633 SD MET A 81 18.771 14.592 9.800 1.00 0.00 ATOM 634 CE MET A 81 18.602 14.249 11.551 1.00 0.00 ATOM 635 O MET A 81 19.449 10.941 6.320 1.00 0.00 ATOM 636 C MET A 81 18.681 11.878 6.568 1.00 0.00 ATOM 637 N MET A 82 18.422 12.852 5.703 1.00 0.00 ATOM 638 CA MET A 82 19.015 12.864 4.376 1.00 0.00 ATOM 639 CB MET A 82 18.153 11.979 3.412 1.00 0.00 ATOM 640 CG MET A 82 18.110 10.520 3.794 1.00 0.00 ATOM 641 SD MET A 82 17.272 9.483 2.574 1.00 0.00 ATOM 642 CE MET A 82 15.572 10.028 2.796 1.00 0.00 ATOM 643 O MET A 82 18.643 15.170 3.951 1.00 0.00 ATOM 644 C MET A 82 19.419 14.228 3.869 1.00 0.00 ATOM 645 N VAL A 83 20.612 14.308 3.295 1.00 0.00 ATOM 646 CA VAL A 83 21.091 15.540 2.699 1.00 0.00 ATOM 647 CB VAL A 83 22.366 16.042 3.401 1.00 0.00 ATOM 648 CG1 VAL A 83 22.875 17.313 2.738 1.00 0.00 ATOM 649 CG2 VAL A 83 22.084 16.343 4.864 1.00 0.00 ATOM 650 O VAL A 83 22.047 14.190 0.958 1.00 0.00 ATOM 651 C VAL A 83 21.390 15.196 1.243 1.00 0.00 ATOM 652 N ALA A 84 20.905 16.028 0.325 1.00 0.00 ATOM 653 CA ALA A 84 21.145 15.809 -1.097 1.00 0.00 ATOM 654 CB ALA A 84 20.552 16.944 -1.919 1.00 0.00 ATOM 655 O ALA A 84 23.418 16.287 -0.609 1.00 0.00 ATOM 656 C ALA A 84 22.635 15.626 -1.260 1.00 0.00 ATOM 657 N PRO A 85 23.069 14.806 -2.194 1.00 0.00 ATOM 658 CA PRO A 85 24.489 14.621 -2.437 1.00 0.00 ATOM 659 CB PRO A 85 24.515 13.770 -3.711 1.00 0.00 ATOM 660 CG PRO A 85 23.313 13.008 -3.623 1.00 0.00 ATOM 661 CD PRO A 85 22.253 13.906 -3.021 1.00 0.00 ATOM 662 O PRO A 85 26.239 16.166 -1.842 1.00 0.00 ATOM 663 C PRO A 85 25.264 15.922 -2.567 1.00 0.00 ATOM 664 N ALA A 86 24.832 16.798 -3.506 1.00 0.00 ATOM 665 CA ALA A 86 25.514 18.081 -3.695 1.00 0.00 ATOM 666 CB ALA A 86 24.830 18.875 -4.800 1.00 0.00 ATOM 667 O ALA A 86 26.478 19.701 -2.205 1.00 0.00 ATOM 668 C ALA A 86 25.538 18.936 -2.427 1.00 0.00 ATOM 669 N ALA A 87 24.312 18.706 -1.778 1.00 0.00 ATOM 670 CA ALA A 87 24.148 19.504 -0.568 1.00 0.00 ATOM 671 CB ALA A 87 22.722 19.752 -0.100 1.00 0.00 ATOM 672 O ALA A 87 24.882 19.552 1.690 1.00 0.00 ATOM 673 C ALA A 87 24.894 18.947 0.624 1.00 0.00 ATOM 674 N ARG A 88 25.503 17.804 0.429 1.00 0.00 ATOM 675 CA ARG A 88 26.249 17.202 1.539 1.00 0.00 ATOM 676 CB ARG A 88 27.126 16.239 0.956 1.00 0.00 ATOM 677 CG ARG A 88 26.418 14.936 1.207 1.00 0.00 ATOM 678 CD ARG A 88 26.283 14.613 2.680 1.00 0.00 ATOM 679 NE ARG A 88 25.599 13.332 2.821 1.00 0.00 ATOM 680 CZ ARG A 88 24.707 13.051 3.760 1.00 0.00 ATOM 681 NH1 ARG A 88 24.377 13.954 4.676 1.00 0.00 ATOM 682 NH2 ARG A 88 24.097 11.877 3.741 1.00 0.00 ATOM 683 O ARG A 88 28.008 18.721 0.915 1.00 0.00 ATOM 684 C ARG A 88 27.564 17.951 1.771 1.00 0.00 ATOM 685 N GLY A 89 28.171 17.726 2.933 1.00 0.00 ATOM 686 CA GLY A 89 29.447 18.347 3.314 1.00 0.00 ATOM 687 O GLY A 89 30.390 20.552 3.243 1.00 0.00 ATOM 688 C GLY A 89 29.390 19.866 3.465 1.00 0.00 ATOM 689 N LEU A 90 28.239 20.384 3.886 1.00 0.00 ATOM 690 CA LEU A 90 28.066 21.819 4.080 1.00 0.00 ATOM 691 CB LEU A 90 27.148 22.399 3.001 1.00 0.00 ATOM 692 CG LEU A 90 27.683 22.368 1.567 1.00 0.00 ATOM 693 CD1 LEU A 90 26.597 22.774 0.581 1.00 0.00 ATOM 694 CD2 LEU A 90 28.852 23.329 1.410 1.00 0.00 ATOM 695 O LEU A 90 27.071 23.302 5.678 1.00 0.00 ATOM 696 C LEU A 90 27.480 22.163 5.441 1.00 0.00 ATOM 697 N GLY A 91 27.431 21.177 6.330 1.00 0.00 ATOM 698 CA GLY A 91 26.901 21.414 7.658 1.00 0.00 ATOM 699 O GLY A 91 24.850 21.494 8.863 1.00 0.00 ATOM 700 C GLY A 91 25.399 21.239 7.791 1.00 0.00 ATOM 701 N VAL A 92 24.718 20.806 6.744 1.00 0.00 ATOM 702 CA VAL A 92 23.265 20.624 6.794 1.00 0.00 ATOM 703 CB VAL A 92 22.710 20.393 5.397 1.00 0.00 ATOM 704 CG1 VAL A 92 21.265 19.905 5.431 1.00 0.00 ATOM 705 CG2 VAL A 92 22.806 21.658 4.578 1.00 0.00 ATOM 706 O VAL A 92 21.943 19.620 8.533 1.00 0.00 ATOM 707 C VAL A 92 22.892 19.490 7.746 1.00 0.00 ATOM 708 N ALA A 93 23.585 18.374 7.668 1.00 0.00 ATOM 709 CA ALA A 93 23.293 17.247 8.569 1.00 0.00 ATOM 710 CB ALA A 93 24.156 16.064 8.222 1.00 0.00 ATOM 711 O ALA A 93 22.744 17.256 10.915 1.00 0.00 ATOM 712 C ALA A 93 23.510 17.668 10.018 1.00 0.00 ATOM 713 N ARG A 94 24.550 18.436 10.294 1.00 0.00 ATOM 714 CA ARG A 94 24.820 18.879 11.658 1.00 0.00 ATOM 715 CB ARG A 94 26.113 19.678 11.706 1.00 0.00 ATOM 716 CG ARG A 94 26.388 20.305 13.047 1.00 0.00 ATOM 717 CD ARG A 94 27.637 21.194 12.982 1.00 0.00 ATOM 718 NE ARG A 94 28.035 21.827 14.220 1.00 0.00 ATOM 719 CZ ARG A 94 27.583 23.030 14.578 1.00 0.00 ATOM 720 NH1 ARG A 94 26.733 23.707 13.799 1.00 0.00 ATOM 721 NH2 ARG A 94 27.965 23.578 15.720 1.00 0.00 ATOM 722 O ARG A 94 23.208 19.580 13.296 1.00 0.00 ATOM 723 C ARG A 94 23.653 19.738 12.160 1.00 0.00 ATOM 724 N TYR A 95 23.209 20.694 11.362 1.00 0.00 ATOM 725 CA TYR A 95 22.163 21.616 11.774 1.00 0.00 ATOM 726 CB TYR A 95 21.583 22.264 10.347 1.00 0.00 ATOM 727 CG TYR A 95 20.880 23.595 10.436 1.00 0.00 ATOM 728 CD1 TYR A 95 21.663 24.741 10.327 1.00 0.00 ATOM 729 CD2 TYR A 95 19.509 23.719 10.630 1.00 0.00 ATOM 730 CE1 TYR A 95 21.111 25.993 10.398 1.00 0.00 ATOM 731 CE2 TYR A 95 18.937 24.983 10.707 1.00 0.00 ATOM 732 CZ TYR A 95 19.744 26.103 10.584 1.00 0.00 ATOM 733 OH TYR A 95 19.178 27.357 10.676 1.00 0.00 ATOM 734 O TYR A 95 20.147 21.076 12.976 1.00 0.00 ATOM 735 C TYR A 95 20.829 20.896 11.963 1.00 0.00 ATOM 736 N LEU A 96 20.458 20.069 11.007 1.00 0.00 ATOM 737 CA LEU A 96 19.195 19.346 11.118 1.00 0.00 ATOM 738 CB LEU A 96 18.931 18.532 9.849 1.00 0.00 ATOM 739 CG LEU A 96 18.611 19.331 8.585 1.00 0.00 ATOM 740 CD1 LEU A 96 18.551 18.416 7.371 1.00 0.00 ATOM 741 CD2 LEU A 96 17.268 20.033 8.716 1.00 0.00 ATOM 742 O LEU A 96 18.201 18.351 13.062 1.00 0.00 ATOM 743 C LEU A 96 19.176 18.400 12.311 1.00 0.00 ATOM 744 N ILE A 97 20.260 17.649 12.476 1.00 0.00 ATOM 745 CA ILE A 97 20.347 16.712 13.583 1.00 0.00 ATOM 746 CB ILE A 97 21.635 15.868 13.533 1.00 0.00 ATOM 747 CG1 ILE A 97 21.617 14.946 12.312 1.00 0.00 ATOM 748 CG2 ILE A 97 21.760 15.011 14.783 1.00 0.00 ATOM 749 CD1 ILE A 97 22.945 14.275 12.036 1.00 0.00 ATOM 750 O ILE A 97 19.602 17.036 15.840 1.00 0.00 ATOM 751 C ILE A 97 20.316 17.452 14.934 1.00 0.00 ATOM 752 N GLY A 98 21.057 18.515 15.051 1.00 0.00 ATOM 753 CA GLY A 98 21.066 19.272 16.300 1.00 0.00 ATOM 754 O GLY A 98 19.263 19.924 17.751 1.00 0.00 ATOM 755 C GLY A 98 19.672 19.818 16.590 1.00 0.00 ATOM 756 N VAL A 99 18.938 20.185 15.546 1.00 0.00 ATOM 757 CA VAL A 99 17.592 20.692 15.732 1.00 0.00 ATOM 758 CB VAL A 99 17.004 21.150 14.383 1.00 0.00 ATOM 759 CG1 VAL A 99 15.544 21.539 14.543 1.00 0.00 ATOM 760 CG2 VAL A 99 17.766 22.353 13.853 1.00 0.00 ATOM 761 O VAL A 99 15.936 19.806 17.223 1.00 0.00 ATOM 762 C VAL A 99 16.743 19.571 16.322 1.00 0.00 ATOM 763 N MET A 100 16.957 18.344 15.847 1.00 0.00 ATOM 764 CA MET A 100 16.207 17.193 16.366 1.00 0.00 ATOM 765 CB MET A 100 16.570 15.924 15.593 1.00 0.00 ATOM 766 CG MET A 100 16.105 15.925 14.144 1.00 0.00 ATOM 767 SD MET A 100 14.312 16.032 13.990 1.00 0.00 ATOM 768 CE MET A 100 14.103 17.784 13.683 1.00 0.00 ATOM 769 O MET A 100 15.681 16.685 18.650 1.00 0.00 ATOM 770 C MET A 100 16.552 16.995 17.838 1.00 0.00 ATOM 771 N GLU A 101 17.798 17.205 18.171 1.00 0.00 ATOM 772 CA GLU A 101 18.230 17.057 19.562 1.00 0.00 ATOM 773 CB GLU A 101 19.752 17.186 19.668 1.00 0.00 ATOM 774 CG GLU A 101 20.518 16.020 19.065 1.00 0.00 ATOM 775 CD GLU A 101 22.016 16.239 19.077 1.00 0.00 ATOM 776 OE1 GLU A 101 22.453 17.332 19.492 1.00 0.00 ATOM 777 OE2 GLU A 101 22.755 15.316 18.673 1.00 0.00 ATOM 778 O GLU A 101 17.292 17.780 21.643 1.00 0.00 ATOM 779 C GLU A 101 17.656 18.102 20.512 1.00 0.00 ATOM 780 N ASN A 102 17.523 19.387 20.087 1.00 0.00 ATOM 781 CA ASN A 102 16.979 20.449 20.929 1.00 0.00 ATOM 782 CB ASN A 102 17.204 21.757 20.168 1.00 0.00 ATOM 783 CG ASN A 102 18.657 22.191 20.171 1.00 0.00 ATOM 784 ND2 ASN A 102 19.018 23.053 19.230 1.00 0.00 ATOM 785 OD1 ASN A 102 19.442 21.755 21.013 1.00 0.00 ATOM 786 O ASN A 102 14.982 20.504 22.261 1.00 0.00 ATOM 787 C ASN A 102 15.483 20.251 21.167 1.00 0.00 ATOM 788 N LEU A 103 14.770 19.810 20.139 1.00 0.00 ATOM 789 CA LEU A 103 13.337 19.567 20.260 1.00 0.00 ATOM 790 CB LEU A 103 12.728 19.289 18.882 1.00 0.00 ATOM 791 CG LEU A 103 12.728 20.474 17.911 1.00 0.00 ATOM 792 CD1 LEU A 103 12.229 20.025 16.545 1.00 0.00 ATOM 793 CD2 LEU A 103 11.848 21.588 18.466 1.00 0.00 ATOM 794 O LEU A 103 11.880 18.333 21.713 1.00 0.00 ATOM 795 C LEU A 103 13.004 18.425 21.214 1.00 0.00 ATOM 796 N ALA A 104 13.973 17.541 21.443 1.00 0.00 ATOM 797 CA ALA A 104 13.777 16.404 22.334 1.00 0.00 ATOM 798 CB ALA A 104 14.177 15.120 21.731 1.00 0.00 ATOM 799 O ALA A 104 14.108 16.329 24.707 1.00 0.00 ATOM 800 C ALA A 104 14.533 16.722 23.622 1.00 0.00 ATOM 801 N ARG A 105 15.689 17.542 23.523 1.00 0.00 ATOM 802 CA ARG A 105 16.486 17.901 24.695 1.00 0.00 ATOM 803 CB ARG A 105 17.528 18.861 24.517 1.00 0.00 ATOM 804 CG ARG A 105 18.299 19.150 25.796 1.00 0.00 ATOM 805 CD ARG A 105 19.613 19.858 25.496 1.00 0.00 ATOM 806 NE ARG A 105 19.428 21.027 24.662 1.00 0.00 ATOM 807 CZ ARG A 105 20.414 21.670 24.022 1.00 0.00 ATOM 808 NH1 ARG A 105 21.680 21.287 24.140 1.00 0.00 ATOM 809 NH2 ARG A 105 20.119 22.720 23.271 1.00 0.00 ATOM 810 O ARG A 105 15.149 18.229 26.662 1.00 0.00 ATOM 811 C ARG A 105 15.677 18.743 25.677 1.00 0.00 ATOM 812 N GLU A 106 15.571 20.039 25.393 1.00 0.00 ATOM 813 CA GLU A 106 14.827 20.941 26.254 1.00 0.00 ATOM 814 CB GLU A 106 15.450 22.339 26.219 1.00 0.00 ATOM 815 CG GLU A 106 16.565 22.557 27.229 1.00 0.00 ATOM 816 CD GLU A 106 17.578 23.600 26.768 1.00 0.00 ATOM 817 OE1 GLU A 106 18.744 23.226 26.496 1.00 0.00 ATOM 818 OE2 GLU A 106 17.209 24.792 26.675 1.00 0.00 ATOM 819 O GLU A 106 12.538 21.477 26.643 1.00 0.00 ATOM 820 C GLU A 106 13.368 21.044 25.854 1.00 0.00 ATOM 821 N GLN A 107 13.045 20.600 24.647 1.00 0.00 ATOM 822 CA GLN A 107 11.678 20.696 24.159 1.00 0.00 ATOM 823 CB GLN A 107 11.835 20.940 22.606 1.00 0.00 ATOM 824 CG GLN A 107 10.557 20.790 21.797 1.00 0.00 ATOM 825 CD GLN A 107 9.496 21.879 21.902 1.00 0.00 ATOM 826 OE1 GLN A 107 9.247 22.476 22.978 1.00 0.00 ATOM 827 NE2 GLN A 107 8.815 22.051 20.753 1.00 0.00 ATOM 828 O GLN A 107 9.581 19.817 24.927 1.00 0.00 ATOM 829 C GLN A 107 10.728 19.566 24.543 1.00 0.00 ATOM 830 N TYR A 108 11.187 18.328 24.436 1.00 0.00 ATOM 831 CA TYR A 108 10.320 17.203 24.749 1.00 0.00 ATOM 832 CB TYR A 108 10.137 16.310 23.512 1.00 0.00 ATOM 833 CG TYR A 108 9.130 16.889 22.511 1.00 0.00 ATOM 834 CD1 TYR A 108 7.747 16.617 22.621 1.00 0.00 ATOM 835 CD2 TYR A 108 9.565 17.782 21.496 1.00 0.00 ATOM 836 CE1 TYR A 108 6.845 17.224 21.770 1.00 0.00 ATOM 837 CE2 TYR A 108 8.659 18.395 20.625 1.00 0.00 ATOM 838 CZ TYR A 108 7.330 18.125 20.765 1.00 0.00 ATOM 839 OH TYR A 108 6.466 18.767 19.930 1.00 0.00 ATOM 840 O TYR A 108 10.037 15.462 26.370 1.00 0.00 ATOM 841 C TYR A 108 10.708 16.425 26.000 1.00 0.00 ATOM 842 N LYS A 109 11.791 16.806 26.643 1.00 0.00 ATOM 843 CA LYS A 109 12.259 16.131 27.845 1.00 0.00 ATOM 844 CB LYS A 109 11.858 16.805 29.109 1.00 0.00 ATOM 845 CG LYS A 109 12.813 17.960 29.403 1.00 0.00 ATOM 846 CD LYS A 109 12.221 18.889 30.460 1.00 0.00 ATOM 847 CE LYS A 109 11.038 19.672 29.883 1.00 0.00 ATOM 848 NZ LYS A 109 9.737 18.990 30.202 1.00 0.00 ATOM 849 O LYS A 109 12.150 13.824 28.525 1.00 0.00 ATOM 850 C LYS A 109 12.492 14.627 27.655 1.00 0.00 ATOM 851 N ALA A 110 13.079 14.247 26.524 1.00 0.00 ATOM 852 CA ALA A 110 13.358 12.834 26.270 1.00 0.00 ATOM 853 CB ALA A 110 13.345 12.553 24.773 1.00 0.00 ATOM 854 O ALA A 110 15.708 13.189 26.611 1.00 0.00 ATOM 855 C ALA A 110 14.733 12.465 26.821 1.00 0.00 ATOM 856 N ARG A 111 14.812 11.320 27.497 1.00 0.00 ATOM 857 CA ARG A 111 16.055 10.839 28.103 1.00 0.00 ATOM 858 CB ARG A 111 15.696 9.747 29.216 1.00 0.00 ATOM 859 CG ARG A 111 16.895 9.144 29.829 1.00 0.00 ATOM 860 CD ARG A 111 16.595 8.271 31.074 1.00 0.00 ATOM 861 NE ARG A 111 17.811 7.589 31.502 1.00 0.00 ATOM 862 CZ ARG A 111 17.991 7.085 32.721 1.00 0.00 ATOM 863 NH1 ARG A 111 17.027 7.173 33.630 1.00 0.00 ATOM 864 NH2 ARG A 111 19.139 6.499 33.026 1.00 0.00 ATOM 865 O ARG A 111 18.306 10.772 27.288 1.00 0.00 ATOM 866 C ARG A 111 17.125 10.522 27.064 1.00 0.00 ATOM 867 N LEU A 112 16.736 9.906 25.954 1.00 0.00 ATOM 868 CA LEU A 112 17.723 9.594 24.938 1.00 0.00 ATOM 869 CB LEU A 112 18.166 8.144 25.135 1.00 0.00 ATOM 870 CG LEU A 112 17.067 7.082 25.052 1.00 0.00 ATOM 871 CD1 LEU A 112 16.815 6.683 23.606 1.00 0.00 ATOM 872 CD2 LEU A 112 17.463 5.835 25.827 1.00 0.00 ATOM 873 O LEU A 112 16.028 9.785 23.263 1.00 0.00 ATOM 874 C LEU A 112 17.227 9.712 23.513 1.00 0.00 ATOM 875 N MET A 113 18.175 9.795 22.588 1.00 0.00 ATOM 876 CA MET A 113 17.878 9.929 21.173 1.00 0.00 ATOM 877 CB MET A 113 18.464 11.229 20.626 1.00 0.00 ATOM 878 CG MET A 113 17.957 12.468 21.331 1.00 0.00 ATOM 879 SD MET A 113 16.200 12.741 21.052 1.00 0.00 ATOM 880 CE MET A 113 16.262 14.004 19.790 1.00 0.00 ATOM 881 O MET A 113 19.674 8.383 20.817 1.00 0.00 ATOM 882 C MET A 113 18.562 8.767 20.462 1.00 0.00 ATOM 883 N LYS A 114 17.895 8.204 19.459 1.00 0.00 ATOM 884 CA LYS A 114 18.450 7.055 18.752 1.00 0.00 ATOM 885 CB LYS A 114 17.921 5.758 19.371 1.00 0.00 ATOM 886 CG LYS A 114 16.422 5.561 19.211 1.00 0.00 ATOM 887 CD LYS A 114 15.963 4.267 19.860 1.00 0.00 ATOM 888 CE LYS A 114 14.459 4.086 19.732 1.00 0.00 ATOM 889 NZ LYS A 114 14.007 2.780 20.289 1.00 0.00 ATOM 890 O LYS A 114 16.788 7.320 17.054 1.00 0.00 ATOM 891 C LYS A 114 17.943 6.989 17.322 1.00 0.00 ATOM 892 N ILE A 115 18.800 6.652 16.274 1.00 0.00 ATOM 893 CA ILE A 115 18.442 6.614 14.865 1.00 0.00 ATOM 894 CB ILE A 115 19.098 7.806 14.144 1.00 0.00 ATOM 895 CG1 ILE A 115 18.540 7.944 12.725 1.00 0.00 ATOM 896 CG2 ILE A 115 20.604 7.610 14.051 1.00 0.00 ATOM 897 CD1 ILE A 115 18.855 9.273 12.072 1.00 0.00 ATOM 898 O ILE A 115 19.763 4.609 14.889 1.00 0.00 ATOM 899 C ILE A 115 18.974 5.318 14.262 1.00 0.00 ATOM 900 N SER A 116 18.500 5.053 13.068 1.00 0.00 ATOM 901 CA SER A 116 18.923 3.852 12.355 1.00 0.00 ATOM 902 CB SER A 116 17.732 2.978 11.952 1.00 0.00 ATOM 903 OG SER A 116 17.096 2.429 13.092 1.00 0.00 ATOM 904 O SER A 116 19.031 5.088 10.313 1.00 0.00 ATOM 905 C SER A 116 19.598 4.301 11.064 1.00 0.00 ATOM 906 N CYS A 117 20.817 3.832 10.810 1.00 0.00 ATOM 907 CA CYS A 117 21.542 4.221 9.606 1.00 0.00 ATOM 908 CB CYS A 117 22.652 5.198 10.005 1.00 0.00 ATOM 909 SG CYS A 117 23.629 5.824 8.621 1.00 0.00 ATOM 910 O CYS A 117 22.748 2.147 9.477 1.00 0.00 ATOM 911 C CYS A 117 22.190 3.057 8.867 1.00 0.00 ATOM 912 N PHE A 118 21.988 3.031 7.553 1.00 0.00 ATOM 913 CA PHE A 118 22.545 1.987 6.693 1.00 0.00 ATOM 914 CB PHE A 118 22.260 2.339 5.236 1.00 0.00 ATOM 915 CG PHE A 118 22.747 1.341 4.225 1.00 0.00 ATOM 916 CD1 PHE A 118 22.378 -0.002 4.298 1.00 0.00 ATOM 917 CD2 PHE A 118 23.586 1.688 3.182 1.00 0.00 ATOM 918 CE1 PHE A 118 22.843 -0.956 3.403 1.00 0.00 ATOM 919 CE2 PHE A 118 24.013 0.733 2.302 1.00 0.00 ATOM 920 CZ PHE A 118 23.619 -0.590 2.344 1.00 0.00 ATOM 921 O PHE A 118 24.748 2.947 6.756 1.00 0.00 ATOM 922 C PHE A 118 24.060 1.931 6.882 1.00 0.00 ATOM 923 N ASN A 119 24.589 0.679 7.188 1.00 0.00 ATOM 924 CA ASN A 119 26.020 0.504 7.434 1.00 0.00 ATOM 925 CB ASN A 119 26.352 -0.977 7.634 1.00 0.00 ATOM 926 CG ASN A 119 27.776 -1.196 8.107 1.00 0.00 ATOM 927 ND2 ASN A 119 28.568 -1.886 7.297 1.00 0.00 ATOM 928 OD1 ASN A 119 28.155 -0.748 9.190 1.00 0.00 ATOM 929 O ASN A 119 28.043 1.463 6.586 1.00 0.00 ATOM 930 C ASN A 119 26.922 1.035 6.326 1.00 0.00 ATOM 931 N ALA A 120 26.440 0.976 5.051 1.00 0.00 ATOM 932 CA ALA A 120 27.212 1.435 3.906 1.00 0.00 ATOM 933 CB ALA A 120 26.655 0.846 2.621 1.00 0.00 ATOM 934 O ALA A 120 27.648 3.336 2.534 1.00 0.00 ATOM 935 C ALA A 120 27.204 2.911 3.598 1.00 0.00 ATOM 936 N ASN A 121 26.570 3.716 4.563 1.00 0.00 ATOM 937 CA ASN A 121 26.474 5.128 4.484 1.00 0.00 ATOM 938 CB ASN A 121 25.126 5.697 4.930 1.00 0.00 ATOM 939 CG ASN A 121 25.037 7.198 4.741 1.00 0.00 ATOM 940 ND2 ASN A 121 24.122 7.831 5.466 1.00 0.00 ATOM 941 OD1 ASN A 121 25.782 7.779 3.953 1.00 0.00 ATOM 942 O ASN A 121 27.295 6.185 6.494 1.00 0.00 ATOM 943 C ASN A 121 27.570 5.655 5.417 1.00 0.00 ATOM 944 N ALA A 122 28.820 5.498 4.984 1.00 0.00 ATOM 945 CA ALA A 122 29.973 5.930 5.766 1.00 0.00 ATOM 946 CB ALA A 122 31.316 5.705 4.959 1.00 0.00 ATOM 947 O ALA A 122 30.385 7.814 7.161 1.00 0.00 ATOM 948 C ALA A 122 29.982 7.418 6.071 1.00 0.00 ATOM 949 N ALA A 123 29.551 8.237 5.117 1.00 0.00 ATOM 950 CA ALA A 123 29.519 9.682 5.334 1.00 0.00 ATOM 951 CB ALA A 123 29.010 10.395 4.090 1.00 0.00 ATOM 952 O ALA A 123 28.971 10.846 7.362 1.00 0.00 ATOM 953 C ALA A 123 28.600 10.052 6.499 1.00 0.00 ATOM 954 N GLY A 124 27.402 9.477 6.523 1.00 0.00 ATOM 955 CA GLY A 124 26.450 9.763 7.581 1.00 0.00 ATOM 956 O GLY A 124 26.714 9.875 9.963 1.00 0.00 ATOM 957 C GLY A 124 26.923 9.232 8.933 1.00 0.00 ATOM 958 N LEU A 125 27.510 8.039 8.936 1.00 0.00 ATOM 959 CA LEU A 125 28.008 7.445 10.173 1.00 0.00 ATOM 960 CB LEU A 125 28.614 6.067 9.902 1.00 0.00 ATOM 961 CG LEU A 125 27.633 4.956 9.521 1.00 0.00 ATOM 962 CD1 LEU A 125 28.379 3.702 9.094 1.00 0.00 ATOM 963 CD2 LEU A 125 26.739 4.600 10.700 1.00 0.00 ATOM 964 O LEU A 125 29.055 8.610 11.996 1.00 0.00 ATOM 965 C LEU A 125 29.077 8.336 10.793 1.00 0.00 ATOM 966 N LEU A 126 30.006 8.800 9.964 1.00 0.00 ATOM 967 CA LEU A 126 31.086 9.669 10.422 1.00 0.00 ATOM 968 CB LEU A 126 32.027 10.010 9.266 1.00 0.00 ATOM 969 CG LEU A 126 32.888 8.861 8.731 1.00 0.00 ATOM 970 CD1 LEU A 126 33.634 9.289 7.475 1.00 0.00 ATOM 971 CD2 LEU A 126 33.912 8.430 9.770 1.00 0.00 ATOM 972 O LEU A 126 31.024 11.487 11.985 1.00 0.00 ATOM 973 C LEU A 126 30.526 10.975 10.987 1.00 0.00 ATOM 974 N LEU A 127 29.504 11.512 10.327 1.00 0.00 ATOM 975 CA LEU A 127 28.854 12.745 10.773 1.00 0.00 ATOM 976 CB LEU A 127 27.808 13.233 9.892 1.00 0.00 ATOM 977 CG LEU A 127 28.208 13.872 8.588 1.00 0.00 ATOM 978 CD1 LEU A 127 26.964 14.221 7.790 1.00 0.00 ATOM 979 CD2 LEU A 127 29.007 15.184 8.774 1.00 0.00 ATOM 980 O LEU A 127 28.468 13.293 13.084 1.00 0.00 ATOM 981 C LEU A 127 28.224 12.524 12.152 1.00 0.00 ATOM 982 N TYR A 128 27.435 11.462 12.285 1.00 0.00 ATOM 983 CA TYR A 128 26.783 11.166 13.562 1.00 0.00 ATOM 984 CB TYR A 128 25.963 9.878 13.460 1.00 0.00 ATOM 985 CG TYR A 128 24.746 9.996 12.572 1.00 0.00 ATOM 986 CD1 TYR A 128 24.264 11.241 12.189 1.00 0.00 ATOM 987 CD2 TYR A 128 24.082 8.863 12.121 1.00 0.00 ATOM 988 CE1 TYR A 128 23.151 11.356 11.375 1.00 0.00 ATOM 989 CE2 TYR A 128 22.969 8.960 11.308 1.00 0.00 ATOM 990 CZ TYR A 128 22.506 10.222 10.937 1.00 0.00 ATOM 991 OH TYR A 128 21.399 10.335 10.129 1.00 0.00 ATOM 992 O TYR A 128 27.529 11.389 15.804 1.00 0.00 ATOM 993 C TYR A 128 27.768 10.935 14.681 1.00 0.00 ATOM 994 N THR A 129 28.865 10.265 14.472 1.00 0.00 ATOM 995 CA THR A 129 29.892 10.050 15.475 1.00 0.00 ATOM 996 CB THR A 129 31.021 9.136 14.968 1.00 0.00 ATOM 997 CG2 THR A 129 32.071 8.934 16.053 1.00 0.00 ATOM 998 OG1 THR A 129 30.481 7.860 14.603 1.00 0.00 ATOM 999 O THR A 129 30.784 11.575 17.110 1.00 0.00 ATOM 1000 C THR A 129 30.513 11.373 15.927 1.00 0.00 ATOM 1001 N GLN A 130 30.735 12.267 14.975 1.00 0.00 ATOM 1002 CA GLN A 130 31.284 13.578 15.297 1.00 0.00 ATOM 1003 CB GLN A 130 31.543 14.381 14.021 1.00 0.00 ATOM 1004 CG GLN A 130 32.677 13.840 13.167 1.00 0.00 ATOM 1005 CD GLN A 130 32.832 14.591 11.858 1.00 0.00 ATOM 1006 OE1 GLN A 130 32.025 15.464 11.534 1.00 0.00 ATOM 1007 NE2 GLN A 130 33.870 14.256 11.104 1.00 0.00 ATOM 1008 O GLN A 130 30.705 15.227 16.947 1.00 0.00 ATOM 1009 C GLN A 130 30.301 14.384 16.141 1.00 0.00 ATOM 1010 N LEU A 131 29.015 14.114 15.954 1.00 0.00 ATOM 1011 CA LEU A 131 27.959 14.794 16.693 1.00 0.00 ATOM 1012 CB LEU A 131 26.678 14.929 15.882 1.00 0.00 ATOM 1013 CG LEU A 131 26.792 15.720 14.577 1.00 0.00 ATOM 1014 CD1 LEU A 131 25.433 15.708 13.873 1.00 0.00 ATOM 1015 CD2 LEU A 131 27.259 17.135 14.840 1.00 0.00 ATOM 1016 O LEU A 131 26.812 14.663 18.806 1.00 0.00 ATOM 1017 C LEU A 131 27.668 14.174 18.064 1.00 0.00 ATOM 1018 N GLY A 132 28.379 13.092 18.389 1.00 0.00 ATOM 1019 CA GLY A 132 28.317 12.489 19.712 1.00 0.00 ATOM 1020 O GLY A 132 27.262 10.709 20.893 1.00 0.00 ATOM 1021 C GLY A 132 27.497 11.220 19.793 1.00 0.00 ATOM 1022 N TYR A 133 27.030 10.713 18.660 1.00 0.00 ATOM 1023 CA TYR A 133 26.248 9.478 18.668 1.00 0.00 ATOM 1024 CB TYR A 133 25.354 9.408 17.429 1.00 0.00 ATOM 1025 CG TYR A 133 24.179 10.359 17.463 1.00 0.00 ATOM 1026 CD1 TYR A 133 24.234 11.579 16.804 1.00 0.00 ATOM 1027 CD2 TYR A 133 23.020 10.032 18.154 1.00 0.00 ATOM 1028 CE1 TYR A 133 23.166 12.455 16.832 1.00 0.00 ATOM 1029 CE2 TYR A 133 21.943 10.894 18.192 1.00 0.00 ATOM 1030 CZ TYR A 133 22.024 12.113 17.523 1.00 0.00 ATOM 1031 OH TYR A 133 20.956 12.983 17.552 1.00 0.00 ATOM 1032 O TYR A 133 28.269 8.339 18.081 1.00 0.00 ATOM 1033 C TYR A 133 27.186 8.274 18.655 1.00 0.00 ATOM 1034 N GLN A 134 26.745 7.174 19.261 1.00 0.00 ATOM 1035 CA GLN A 134 27.538 5.948 19.325 1.00 0.00 ATOM 1036 CB GLN A 134 28.064 5.726 20.744 1.00 0.00 ATOM 1037 CG GLN A 134 29.004 6.815 21.235 1.00 0.00 ATOM 1038 CD GLN A 134 29.543 6.536 22.624 1.00 0.00 ATOM 1039 OE1 GLN A 134 29.123 5.587 23.284 1.00 0.00 ATOM 1040 NE2 GLN A 134 30.482 7.365 23.071 1.00 0.00 ATOM 1041 O GLN A 134 25.495 4.681 19.195 1.00 0.00 ATOM 1042 C GLN A 134 26.695 4.738 18.929 1.00 0.00 ATOM 1043 N PRO A 135 27.329 3.750 18.313 1.00 0.00 ATOM 1044 CA PRO A 135 26.610 2.557 17.897 1.00 0.00 ATOM 1045 CB PRO A 135 27.569 1.870 16.922 1.00 0.00 ATOM 1046 CG PRO A 135 28.925 2.318 17.353 1.00 0.00 ATOM 1047 CD PRO A 135 28.759 3.724 17.857 1.00 0.00 ATOM 1048 O PRO A 135 27.215 1.248 19.820 1.00 0.00 ATOM 1049 C PRO A 135 26.305 1.681 19.106 1.00 0.00 ATOM 1050 N ARG A 136 25.021 1.419 19.328 1.00 0.00 ATOM 1051 CA ARG A 136 24.586 0.592 20.450 1.00 0.00 ATOM 1052 CB ARG A 136 23.562 1.374 21.300 1.00 0.00 ATOM 1053 CG ARG A 136 23.081 0.598 22.520 1.00 0.00 ATOM 1054 CD ARG A 136 22.174 1.434 23.404 1.00 0.00 ATOM 1055 NE ARG A 136 21.745 0.697 24.590 1.00 0.00 ATOM 1056 CZ ARG A 136 20.980 1.210 25.549 1.00 0.00 ATOM 1057 NH1 ARG A 136 20.558 2.466 25.460 1.00 0.00 ATOM 1058 NH2 ARG A 136 20.641 0.472 26.600 1.00 0.00 ATOM 1059 O ARG A 136 24.210 -1.749 20.657 1.00 0.00 ATOM 1060 C ARG A 136 24.172 -0.766 19.901 1.00 0.00 ATOM 1061 N ALA A 137 23.718 -0.858 18.584 1.00 0.00 ATOM 1062 CA ALA A 137 23.268 -2.123 18.021 1.00 0.00 ATOM 1063 CB ALA A 137 21.833 -2.389 18.449 1.00 0.00 ATOM 1064 O ALA A 137 23.637 -1.149 15.858 1.00 0.00 ATOM 1065 C ALA A 137 23.293 -2.139 16.504 1.00 0.00 ATOM 1066 N ILE A 138 22.878 -3.259 15.929 1.00 0.00 ATOM 1067 CA ILE A 138 22.852 -3.411 14.484 1.00 0.00 ATOM 1068 CB ILE A 138 24.264 -3.639 13.913 1.00 0.00 ATOM 1069 CG1 ILE A 138 24.231 -3.629 12.383 1.00 0.00 ATOM 1070 CG2 ILE A 138 24.815 -4.979 14.376 1.00 0.00 ATOM 1071 CD1 ILE A 138 25.597 -3.521 11.744 1.00 0.00 ATOM 1072 O ILE A 138 22.064 -5.638 14.844 1.00 0.00 ATOM 1073 C ILE A 138 21.968 -4.607 14.179 1.00 0.00 ATOM 1074 N ALA A 139 21.125 -4.480 13.167 1.00 0.00 ATOM 1075 CA ALA A 139 20.230 -5.561 12.785 1.00 0.00 ATOM 1076 CB ALA A 139 18.756 -5.158 13.017 1.00 0.00 ATOM 1077 O ALA A 139 20.885 -5.103 10.518 1.00 0.00 ATOM 1078 C ALA A 139 20.460 -5.906 11.319 1.00 0.00 ATOM 1079 N GLU A 140 20.161 -7.119 10.991 1.00 0.00 ATOM 1080 CA GLU A 140 20.405 -7.574 9.661 1.00 0.00 ATOM 1081 CB GLU A 140 19.841 -9.250 9.842 1.00 0.00 ATOM 1082 CG GLU A 140 19.855 -9.942 11.205 1.00 0.00 ATOM 1083 CD GLU A 140 21.230 -10.451 11.602 1.00 0.00 ATOM 1084 OE1 GLU A 140 22.020 -10.812 10.708 1.00 0.00 ATOM 1085 OE2 GLU A 140 21.519 -10.505 12.817 1.00 0.00 ATOM 1086 O GLU A 140 20.008 -7.125 7.333 1.00 0.00 ATOM 1087 C GLU A 140 19.595 -6.997 8.469 1.00 0.00 ATOM 1088 N ARG A 141 18.299 -6.506 8.854 1.00 0.00 ATOM 1089 CA ARG A 141 17.496 -6.143 7.703 1.00 0.00 ATOM 1090 CB ARG A 141 16.334 -7.102 7.562 1.00 0.00 ATOM 1091 CG ARG A 141 15.281 -6.634 6.582 1.00 0.00 ATOM 1092 CD ARG A 141 14.324 -7.743 6.213 1.00 0.00 ATOM 1093 NE ARG A 141 13.291 -7.246 5.311 1.00 0.00 ATOM 1094 CZ ARG A 141 12.527 -8.013 4.537 1.00 0.00 ATOM 1095 NH1 ARG A 141 12.664 -9.331 4.542 1.00 0.00 ATOM 1096 NH2 ARG A 141 11.623 -7.451 3.748 1.00 0.00 ATOM 1097 O ARG A 141 16.741 -4.482 9.204 1.00 0.00 ATOM 1098 C ARG A 141 16.851 -4.841 8.036 1.00 0.00 ATOM 1099 N HIS A 142 17.511 -4.706 6.728 1.00 0.00 ATOM 1100 CA HIS A 142 16.616 -3.984 5.830 1.00 0.00 ATOM 1101 CB HIS A 142 17.257 -2.653 5.523 1.00 0.00 ATOM 1102 CG HIS A 142 16.538 -1.922 4.395 1.00 0.00 ATOM 1103 CD2 HIS A 142 16.986 -1.393 3.244 1.00 0.00 ATOM 1104 ND1 HIS A 142 15.165 -1.695 4.437 1.00 0.00 ATOM 1105 CE1 HIS A 142 14.825 -1.033 3.334 1.00 0.00 ATOM 1106 NE2 HIS A 142 15.905 -0.824 2.602 1.00 0.00 ATOM 1107 O HIS A 142 17.671 -5.415 4.259 1.00 0.00 ATOM 1108 C HIS A 142 16.734 -4.630 4.469 1.00 0.00 ATOM 1109 N ASP A 143 15.729 -4.331 3.642 1.00 0.00 ATOM 1110 CA ASP A 143 15.760 -4.857 2.278 1.00 0.00 ATOM 1111 CB ASP A 143 14.470 -5.679 2.031 1.00 0.00 ATOM 1112 CG ASP A 143 14.465 -6.423 0.716 1.00 0.00 ATOM 1113 OD1 ASP A 143 15.539 -6.861 0.268 1.00 0.00 ATOM 1114 OD2 ASP A 143 13.364 -6.582 0.143 1.00 0.00 ATOM 1115 O ASP A 143 15.169 -3.620 0.306 1.00 0.00 ATOM 1116 C ASP A 143 16.074 -4.081 1.003 1.00 0.00 ATOM 1117 N PRO A 144 17.365 -3.922 0.725 1.00 0.00 ATOM 1118 CA PRO A 144 17.827 -3.251 -0.486 1.00 0.00 ATOM 1119 CB PRO A 144 19.293 -3.048 -0.096 1.00 0.00 ATOM 1120 CG PRO A 144 19.657 -4.289 0.646 1.00 0.00 ATOM 1121 CD PRO A 144 18.403 -4.745 1.338 1.00 0.00 ATOM 1122 O PRO A 144 18.312 -5.141 -1.899 1.00 0.00 ATOM 1123 C PRO A 144 17.688 -4.075 -1.765 1.00 0.00 ATOM 1124 N ASP A 145 16.784 -3.580 -2.621 1.00 0.00 ATOM 1125 CA ASP A 145 16.419 -4.308 -3.840 1.00 0.00 ATOM 1126 CB ASP A 145 17.724 -4.664 -4.553 1.00 0.00 ATOM 1127 CG ASP A 145 18.398 -3.456 -5.176 1.00 0.00 ATOM 1128 OD1 ASP A 145 17.746 -2.395 -5.271 1.00 0.00 ATOM 1129 OD2 ASP A 145 19.579 -3.568 -5.567 1.00 0.00 ATOM 1130 O ASP A 145 14.464 -5.543 -3.255 1.00 0.00 ATOM 1131 C ASP A 145 15.661 -5.583 -3.529 1.00 0.00 ATOM 1132 N GLY A 146 16.475 -6.778 -3.572 1.00 0.00 ATOM 1133 CA GLY A 146 15.830 -8.057 -3.301 1.00 0.00 ATOM 1134 O GLY A 146 16.428 -10.042 -2.093 1.00 0.00 ATOM 1135 C GLY A 146 16.634 -8.843 -2.268 1.00 0.00 ATOM 1136 N ARG A 147 17.438 -7.967 -1.396 1.00 0.00 ATOM 1137 CA ARG A 147 18.589 -8.493 -0.661 1.00 0.00 ATOM 1138 CB ARG A 147 19.878 -8.083 -1.359 1.00 0.00 ATOM 1139 CG ARG A 147 21.149 -8.375 -0.574 1.00 0.00 ATOM 1140 CD ARG A 147 22.388 -8.171 -1.436 1.00 0.00 ATOM 1141 NE ARG A 147 22.421 -6.860 -2.084 1.00 0.00 ATOM 1142 CZ ARG A 147 22.950 -5.764 -1.544 1.00 0.00 ATOM 1143 NH1 ARG A 147 23.498 -5.807 -0.335 1.00 0.00 ATOM 1144 NH2 ARG A 147 22.939 -4.621 -2.216 1.00 0.00 ATOM 1145 O ARG A 147 18.239 -6.761 0.960 1.00 0.00 ATOM 1146 C ARG A 147 18.687 -7.881 0.735 1.00 0.00 ATOM 1147 N ARG A 148 19.242 -8.625 1.686 1.00 0.00 ATOM 1148 CA ARG A 148 19.370 -8.099 3.037 1.00 0.00 ATOM 1149 CB ARG A 148 19.148 -9.264 4.057 1.00 0.00 ATOM 1150 CG ARG A 148 17.800 -9.945 3.963 1.00 0.00 ATOM 1151 CD ARG A 148 17.786 -11.233 4.752 1.00 0.00 ATOM 1152 NE ARG A 148 16.560 -11.982 4.497 1.00 0.00 ATOM 1153 CZ ARG A 148 15.479 -11.925 5.265 1.00 0.00 ATOM 1154 NH1 ARG A 148 15.471 -11.158 6.347 1.00 0.00 ATOM 1155 NH2 ARG A 148 14.403 -12.632 4.947 1.00 0.00 ATOM 1156 O ARG A 148 21.676 -7.504 2.638 1.00 0.00 ATOM 1157 C ARG A 148 20.611 -7.231 3.208 1.00 0.00 ATOM 1158 N VAL A 149 20.454 -6.190 4.016 1.00 0.00 ATOM 1159 CA VAL A 149 21.535 -5.270 4.334 1.00 0.00 ATOM 1160 CB VAL A 149 21.379 -3.891 3.683 1.00 0.00 ATOM 1161 CG1 VAL A 149 21.517 -3.989 2.164 1.00 0.00 ATOM 1162 CG2 VAL A 149 20.061 -3.216 4.058 1.00 0.00 ATOM 1163 O VAL A 149 20.496 -5.297 6.478 1.00 0.00 ATOM 1164 C VAL A 149 21.512 -5.044 5.836 1.00 0.00 ATOM 1165 N ALA A 150 22.547 -4.405 6.367 1.00 0.00 ATOM 1166 CA ALA A 150 22.605 -4.158 7.804 1.00 0.00 ATOM 1167 CB ALA A 150 23.999 -4.492 8.315 1.00 0.00 ATOM 1168 O ALA A 150 22.799 -1.778 7.575 1.00 0.00 ATOM 1169 C ALA A 150 22.274 -2.717 8.175 1.00 0.00 ATOM 1170 N LEU A 151 21.433 -2.569 9.193 1.00 0.00 ATOM 1171 CA LEU A 151 21.047 -1.252 9.687 1.00 0.00 ATOM 1172 CB LEU A 151 19.526 -1.174 9.826 1.00 0.00 ATOM 1173 CG LEU A 151 18.963 0.126 10.403 1.00 0.00 ATOM 1174 CD1 LEU A 151 19.248 1.295 9.469 1.00 0.00 ATOM 1175 CD2 LEU A 151 17.456 0.024 10.590 1.00 0.00 ATOM 1176 O LEU A 151 21.484 -1.899 11.943 1.00 0.00 ATOM 1177 C LEU A 151 21.703 -1.081 11.057 1.00 0.00 ATOM 1178 N ILE A 152 22.501 -0.034 11.239 1.00 0.00 ATOM 1179 CA ILE A 152 23.138 0.188 12.529 1.00 0.00 ATOM 1180 CB ILE A 152 24.504 0.889 12.341 1.00 0.00 ATOM 1181 CG1 ILE A 152 25.441 -0.067 11.562 1.00 0.00 ATOM 1182 CG2 ILE A 152 25.089 1.222 13.701 1.00 0.00 ATOM 1183 CD1 ILE A 152 26.657 0.561 11.059 1.00 0.00 ATOM 1184 O ILE A 152 21.773 2.138 12.888 1.00 0.00 ATOM 1185 C ILE A 152 22.271 1.115 13.378 1.00 0.00 ATOM 1186 N GLN A 153 22.070 0.751 14.637 1.00 0.00 ATOM 1187 CA GLN A 153 21.282 1.578 15.542 1.00 0.00 ATOM 1188 CB GLN A 153 20.448 0.702 16.479 1.00 0.00 ATOM 1189 CG GLN A 153 19.540 1.482 17.415 1.00 0.00 ATOM 1190 CD GLN A 153 18.690 0.582 18.288 1.00 0.00 ATOM 1191 OE1 GLN A 153 18.690 -0.639 18.124 1.00 0.00 ATOM 1192 NE2 GLN A 153 17.960 1.183 19.223 1.00 0.00 ATOM 1193 O GLN A 153 23.120 1.851 17.055 1.00 0.00 ATOM 1194 C GLN A 153 22.292 2.401 16.331 1.00 0.00 ATOM 1195 N MET A 154 22.206 3.719 16.200 1.00 0.00 ATOM 1196 CA MET A 154 23.125 4.612 16.883 1.00 0.00 ATOM 1197 CB MET A 154 23.913 5.441 15.869 1.00 0.00 ATOM 1198 CG MET A 154 24.849 4.628 14.992 1.00 0.00 ATOM 1199 SD MET A 154 25.836 5.653 13.887 1.00 0.00 ATOM 1200 CE MET A 154 26.865 6.527 15.064 1.00 0.00 ATOM 1201 O MET A 154 21.365 6.176 17.305 1.00 0.00 ATOM 1202 C MET A 154 22.312 5.531 17.772 1.00 0.00 ATOM 1203 N ASP A 155 22.928 5.793 18.992 1.00 0.00 ATOM 1204 CA ASP A 155 22.158 6.696 19.871 1.00 0.00 ATOM 1205 CB ASP A 155 21.250 5.845 20.762 1.00 0.00 ATOM 1206 CG ASP A 155 22.031 4.925 21.678 1.00 0.00 ATOM 1207 OD1 ASP A 155 23.257 5.124 21.815 1.00 0.00 ATOM 1208 OD2 ASP A 155 21.418 4.003 22.257 1.00 0.00 ATOM 1209 O ASP A 155 24.267 7.417 20.738 1.00 0.00 ATOM 1210 C ASP A 155 23.043 7.509 20.789 1.00 0.00 ATOM 1211 N LYS A 156 22.399 8.367 21.568 1.00 0.00 ATOM 1212 CA LYS A 156 23.087 9.233 22.501 1.00 0.00 ATOM 1213 CB LYS A 156 23.550 10.518 21.811 1.00 0.00 ATOM 1214 CG LYS A 156 24.407 11.419 22.687 1.00 0.00 ATOM 1215 CD LYS A 156 24.908 12.628 21.911 1.00 0.00 ATOM 1216 CE LYS A 156 25.839 13.478 22.759 1.00 0.00 ATOM 1217 NZ LYS A 156 26.322 14.677 22.019 1.00 0.00 ATOM 1218 O LYS A 156 20.970 9.955 23.375 1.00 0.00 ATOM 1219 C LYS A 156 22.121 9.580 23.620 1.00 0.00 ATOM 1220 N PRO A 157 22.610 9.482 24.849 1.00 0.00 ATOM 1221 CA PRO A 157 21.801 9.796 26.012 1.00 0.00 ATOM 1222 CB PRO A 157 22.422 8.953 27.127 1.00 0.00 ATOM 1223 CG PRO A 157 23.874 8.895 26.791 1.00 0.00 ATOM 1224 CD PRO A 157 23.952 8.854 25.289 1.00 0.00 ATOM 1225 O PRO A 157 22.960 11.900 26.216 1.00 0.00 ATOM 1226 C PRO A 157 21.885 11.295 26.265 1.00 0.00 ATOM 1227 N LEU A 158 20.738 11.964 26.577 1.00 0.00 ATOM 1228 CA LEU A 158 20.643 13.392 26.844 1.00 0.00 ATOM 1229 CB LEU A 158 19.521 13.975 25.982 1.00 0.00 ATOM 1230 CG LEU A 158 19.724 13.903 24.466 1.00 0.00 ATOM 1231 CD1 LEU A 158 18.490 14.406 23.735 1.00 0.00 ATOM 1232 CD2 LEU A 158 20.911 14.753 24.041 1.00 0.00 ATOM 1233 O LEU A 158 20.838 12.999 29.209 1.00 0.00 ATOM 1234 C LEU A 158 20.288 13.638 28.312 1.00 0.00 ATOM 1235 N GLU A 159 19.359 14.565 28.539 1.00 0.00 ATOM 1236 CA GLU A 159 18.929 14.910 29.900 1.00 0.00 ATOM 1237 CB GLU A 159 18.862 16.424 30.060 1.00 0.00 ATOM 1238 CG GLU A 159 20.074 17.159 29.525 1.00 0.00 ATOM 1239 CD GLU A 159 21.311 16.991 30.372 1.00 0.00 ATOM 1240 OE1 GLU A 159 21.183 16.655 31.559 1.00 0.00 ATOM 1241 OE2 GLU A 159 22.413 17.189 29.838 1.00 0.00 ATOM 1242 O GLU A 159 16.764 14.047 29.322 1.00 0.00 ATOM 1243 C GLU A 159 17.587 14.239 30.225 1.00 0.00 ATOM 1244 N PRO A 160 17.358 13.878 31.492 1.00 0.00 ATOM 1245 CA PRO A 160 16.051 13.352 31.899 1.00 0.00 ATOM 1246 CB PRO A 160 16.190 13.193 33.418 1.00 0.00 ATOM 1247 CG PRO A 160 17.635 13.021 33.646 1.00 0.00 ATOM 1248 CD PRO A 160 18.300 13.910 32.627 1.00 0.00 ATOM 1249 O PRO A 160 15.111 15.538 31.774 1.00 0.00 ATOM 1250 C PRO A 160 14.933 14.331 31.566 1.00 0.00 ENDMDL EXPDTA 2i6cA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i6cA ATOM 1 N MET A 1 27.298 29.500 5.487 1.00 0.00 ATOM 2 CA MET A 1 25.990 28.770 5.492 1.00 0.00 ATOM 3 CB MET A 1 26.189 27.266 5.729 1.00 0.00 ATOM 4 CG MET A 1 26.762 26.516 4.560 1.00 0.00 ATOM 5 SD MET A 1 25.626 26.465 2.974 1.00 0.00 ATOM 6 CE MET A 1 24.120 25.524 3.718 1.00 0.00 ATOM 7 O MET A 1 24.937 28.695 7.628 1.00 0.00 ATOM 8 C MET A 1 25.036 29.287 6.554 1.00 0.00 ATOM 9 N GLN A 2 24.368 30.394 6.253 1.00 0.00 ATOM 10 CA GLN A 2 23.282 30.876 7.087 1.00 0.00 ATOM 11 CB GLN A 2 22.843 32.278 6.650 1.00 0.00 ATOM 12 CG GLN A 2 23.937 33.337 6.772 1.00 0.00 ATOM 13 CD GLN A 2 24.523 33.418 8.168 1.00 0.00 ATOM 14 OE1 GLN A 2 23.793 33.402 9.162 1.00 0.00 ATOM 15 NE2 GLN A 2 25.849 33.500 8.252 1.00 0.00 ATOM 16 O GLN A 2 21.607 29.739 5.818 1.00 0.00 ATOM 17 C GLN A 2 22.144 29.881 6.926 1.00 0.00 ATOM 18 N LEU A 3 21.859 29.116 7.980 1.00 0.00 ATOM 19 CA LEU A 3 20.717 28.206 7.960 1.00 0.00 ATOM 20 CB LEU A 3 21.167 26.784 8.290 1.00 0.00 ATOM 21 CG LEU A 3 21.966 26.082 7.182 1.00 0.00 ATOM 22 CD1 LEU A 3 22.839 24.941 7.749 1.00 0.00 ATOM 23 CD2 LEU A 3 21.069 25.556 6.076 1.00 0.00 ATOM 24 O LEU A 3 19.938 29.103 10.052 1.00 0.00 ATOM 25 C LEU A 3 19.643 28.621 8.946 1.00 0.00 ATOM 26 N SER A 4 18.394 28.424 8.533 1.00 0.00 ATOM 27 CA SER A 4 17.237 28.594 9.401 1.00 0.00 ATOM 28 CB SER A 4 16.435 29.854 9.032 1.00 0.00 ATOM 29 OG SER A 4 15.913 29.770 7.726 1.00 0.00 ATOM 30 O SER A 4 16.614 26.513 8.439 1.00 0.00 ATOM 31 C SER A 4 16.376 27.360 9.290 1.00 0.00 ATOM 32 N HIS A 5 15.395 27.229 10.164 1.00 0.00 ATOM 33 CA HIS A 5 14.498 26.083 10.100 1.00 0.00 ATOM 34 CB HIS A 5 14.933 24.938 11.010 1.00 0.00 ATOM 35 CG HIS A 5 14.910 25.275 12.460 1.00 0.00 ATOM 36 CD2 HIS A 5 15.831 25.882 13.238 1.00 0.00 ATOM 37 ND1 HIS A 5 13.827 25.014 13.271 1.00 0.00 ATOM 38 CE1 HIS A 5 14.093 25.441 14.494 1.00 0.00 ATOM 39 NE2 HIS A 5 15.301 25.966 14.500 1.00 0.00 ATOM 40 O HIS A 5 12.828 27.515 11.067 1.00 0.00 ATOM 41 C HIS A 5 13.071 26.502 10.426 1.00 0.00 ATOM 42 N ARG A 6 12.140 25.678 9.978 1.00 0.00 ATOM 43 CA ARG A 6 10.721 25.830 10.276 1.00 0.00 ATOM 44 CB ARG A 6 10.103 26.939 9.410 1.00 0.00 ATOM 45 CG ARG A 6 10.332 26.750 7.939 1.00 0.00 ATOM 46 CD ARG A 6 9.436 27.694 7.149 1.00 0.00 ATOM 47 NE ARG A 6 9.710 27.614 5.718 1.00 0.00 ATOM 48 CZ ARG A 6 9.298 26.631 4.912 1.00 0.00 ATOM 49 NH1 ARG A 6 8.553 25.631 5.357 1.00 0.00 ATOM 50 NH2 ARG A 6 9.633 26.627 3.635 1.00 0.00 ATOM 51 O ARG A 6 10.577 23.657 9.321 1.00 0.00 ATOM 52 C ARG A 6 10.020 24.519 9.997 1.00 0.00 ATOM 53 N PRO A 7 8.802 24.345 10.512 1.00 0.00 ATOM 54 CA PRO A 7 8.052 23.156 10.151 1.00 0.00 ATOM 55 CB PRO A 7 6.727 23.328 10.881 1.00 0.00 ATOM 56 CG PRO A 7 7.074 24.185 12.050 1.00 0.00 ATOM 57 CD PRO A 7 8.101 25.155 11.523 1.00 0.00 ATOM 58 O PRO A 7 7.689 24.038 7.944 1.00 0.00 ATOM 59 C PRO A 7 7.869 23.038 8.637 1.00 0.00 ATOM 60 N ALA A 8 7.919 21.815 8.136 1.00 0.00 ATOM 61 CA ALA A 8 7.642 21.542 6.739 1.00 0.00 ATOM 62 CB ALA A 8 7.872 20.065 6.462 1.00 0.00 ATOM 63 O ALA A 8 5.286 21.815 7.171 1.00 0.00 ATOM 64 C ALA A 8 6.223 21.962 6.363 1.00 0.00 ATOM 65 N GLU A 9 6.073 22.434 5.131 1.00 0.00 ATOM 66 CA GLU A 9 4.796 22.910 4.617 1.00 0.00 ATOM 67 CB GLU A 9 4.883 24.424 4.355 1.00 0.00 ATOM 68 CG GLU A 9 5.046 25.209 5.656 1.00 0.00 ATOM 69 CD GLU A 9 5.319 26.695 5.504 1.00 0.00 ATOM 70 OE1 GLU A 9 5.372 27.223 4.379 1.00 0.00 ATOM 71 OE2 GLU A 9 5.478 27.352 6.542 1.00 0.00 ATOM 72 O GLU A 9 5.401 21.653 2.696 1.00 0.00 ATOM 73 C GLU A 9 4.495 22.190 3.322 1.00 0.00 ATOM 74 N THR A 10 3.240 22.194 2.879 1.00 0.00 ATOM 75 CA THR A 10 2.886 21.460 1.669 1.00 0.00 ATOM 76 CB THR A 10 1.353 21.435 1.375 1.00 0.00 ATOM 77 CG2 THR A 10 0.597 20.926 2.536 1.00 0.00 ATOM 78 OG1 THR A 10 0.887 22.737 1.080 1.00 0.00 ATOM 79 O THR A 10 4.026 21.170 -0.421 1.00 0.00 ATOM 80 C THR A 10 3.665 21.958 0.448 1.00 0.00 ATOM 81 N GLY A 11 3.973 23.251 0.402 1.00 0.00 ATOM 82 CA GLY A 11 4.750 23.808 -0.689 1.00 0.00 ATOM 83 O GLY A 11 6.827 23.469 -1.810 1.00 0.00 ATOM 84 C GLY A 11 6.187 23.320 -0.763 1.00 0.00 ATOM 85 N ASP A 12 6.690 22.727 0.324 1.00 0.00 ATOM 86 CA ASP A 12 8.046 22.189 0.334 1.00 0.00 ATOM 87 CB ASP A 12 8.578 22.111 1.758 1.00 0.00 ATOM 88 CG ASP A 12 8.563 23.415 2.500 1.00 0.00 ATOM 89 OD1 ASP A 12 8.852 24.471 1.907 1.00 0.00 ATOM 90 OD2 ASP A 12 8.357 23.347 3.737 1.00 0.00 ATOM 91 O ASP A 12 9.191 20.279 -0.501 1.00 0.00 ATOM 92 C ASP A 12 8.105 20.773 -0.246 1.00 0.00 ATOM 93 N LEU A 13 6.970 20.083 -0.383 1.00 0.00 ATOM 94 CA LEU A 13 6.962 18.647 -0.702 1.00 0.00 ATOM 95 CB LEU A 13 5.527 18.119 -0.716 1.00 0.00 ATOM 96 CG LEU A 13 4.732 18.113 0.587 1.00 0.00 ATOM 97 CD1 LEU A 13 3.267 17.785 0.281 1.00 0.00 ATOM 98 CD2 LEU A 13 5.282 17.115 1.552 1.00 0.00 ATOM 99 O LEU A 13 8.415 17.321 -1.980 1.00 0.00 ATOM 100 C LEU A 13 7.661 18.279 -1.966 1.00 0.00 ATOM 101 N GLU A 14 7.397 19.025 -3.035 1.00 0.00 ATOM 102 CA GLU A 14 7.977 18.692 -4.336 1.00 0.00 ATOM 103 CB GLU A 14 7.411 19.631 -5.403 1.00 0.00 ATOM 104 CG GLU A 14 7.939 19.499 -6.792 1.00 0.00 ATOM 105 CD GLU A 14 7.491 20.663 -7.656 1.00 0.00 ATOM 106 OE1 GLU A 14 6.290 20.726 -7.973 1.00 0.00 ATOM 107 OE2 GLU A 14 8.327 21.532 -8.001 1.00 0.00 ATOM 108 O GLU A 14 10.203 17.859 -4.755 1.00 0.00 ATOM 109 C GLU A 14 9.504 18.760 -4.265 1.00 0.00 ATOM 110 N THR A 15 10.027 19.813 -3.638 1.00 0.00 ATOM 111 CA THR A 15 11.472 19.976 -3.519 1.00 0.00 ATOM 112 CB THR A 15 11.786 21.331 -2.881 1.00 0.00 ATOM 113 CG2 THR A 15 13.271 21.518 -2.670 1.00 0.00 ATOM 114 OG1 THR A 15 11.268 22.366 -3.734 1.00 0.00 ATOM 115 O THR A 15 13.058 18.186 -3.129 1.00 0.00 ATOM 116 C THR A 15 12.096 18.836 -2.696 1.00 0.00 ATOM 117 N VAL A 16 11.514 18.547 -1.537 1.00 0.00 ATOM 118 CA VAL A 16 12.057 17.507 -0.668 1.00 0.00 ATOM 119 CB VAL A 16 11.351 17.509 0.702 1.00 0.00 ATOM 120 CG1 VAL A 16 11.841 16.365 1.564 1.00 0.00 ATOM 121 CG2 VAL A 16 11.657 18.805 1.420 1.00 0.00 ATOM 122 O VAL A 16 12.897 15.323 -1.224 1.00 0.00 ATOM 123 C VAL A 16 11.971 16.140 -1.324 1.00 0.00 ATOM 124 N ALA A 17 10.863 15.869 -1.991 1.00 0.00 ATOM 125 CA ALA A 17 10.721 14.577 -2.659 1.00 0.00 ATOM 126 CB ALA A 17 9.313 14.401 -3.184 1.00 0.00 ATOM 127 O ALA A 17 11.984 13.240 -4.155 1.00 0.00 ATOM 128 C ALA A 17 11.728 14.374 -3.777 1.00 0.00 ATOM 129 N GLY A 18 12.318 15.461 -4.253 1.00 0.00 ATOM 130 CA GLY A 18 13.383 15.378 -5.232 1.00 0.00 ATOM 131 O GLY A 18 15.708 14.897 -5.440 1.00 0.00 ATOM 132 C GLY A 18 14.765 15.077 -4.670 1.00 0.00 ATOM 133 N PHE A 19 14.920 15.038 -3.342 1.00 0.00 ATOM 134 CA PHE A 19 16.253 14.880 -2.763 1.00 0.00 ATOM 135 CB PHE A 19 16.268 15.241 -1.257 1.00 0.00 ATOM 136 CG PHE A 19 16.060 16.705 -0.927 1.00 0.00 ATOM 137 CD1 PHE A 19 16.066 17.695 -1.888 1.00 0.00 ATOM 138 CD2 PHE A 19 15.885 17.074 0.391 1.00 0.00 ATOM 139 CE1 PHE A 19 15.891 19.034 -1.526 1.00 0.00 ATOM 140 CE2 PHE A 19 15.710 18.428 0.775 1.00 0.00 ATOM 141 CZ PHE A 19 15.724 19.432 -0.230 1.00 0.00 ATOM 142 O PHE A 19 18.077 13.440 -3.357 1.00 0.00 ATOM 143 C PHE A 19 16.910 13.496 -2.981 1.00 0.00 ATOM 144 N PRO A 20 16.169 12.394 -2.774 1.00 0.00 ATOM 145 CA PRO A 20 16.816 11.083 -3.031 1.00 0.00 ATOM 146 CB PRO A 20 15.794 10.072 -2.527 1.00 0.00 ATOM 147 CG PRO A 20 14.864 10.854 -1.584 1.00 0.00 ATOM 148 CD PRO A 20 14.822 12.254 -2.193 1.00 0.00 ATOM 149 O PRO A 20 16.217 10.982 -5.345 1.00 0.00 ATOM 150 C PRO A 20 17.109 10.865 -4.516 1.00 0.00 ATOM 151 N GLN A 21 18.343 10.498 -4.834 1.00 0.00 ATOM 152 CA GLN A 21 18.766 10.462 -6.240 1.00 0.00 ATOM 153 CB GLN A 21 20.193 11.010 -6.362 1.00 0.00 ATOM 154 CG GLN A 21 20.279 12.471 -5.999 1.00 0.00 ATOM 155 CD GLN A 21 19.345 13.317 -6.838 1.00 0.00 ATOM 156 OE1 GLN A 21 19.542 13.468 -8.051 1.00 0.00 ATOM 157 NE2 GLN A 21 18.337 13.913 -6.192 1.00 0.00 ATOM 158 O GLN A 21 18.781 9.050 -8.132 1.00 0.00 ATOM 159 C GLN A 21 18.676 9.121 -6.909 1.00 0.00 ATOM 160 N ASP A 22 18.519 8.052 -6.134 1.00 0.00 ATOM 161 CA ASP A 22 18.407 6.709 -6.693 1.00 0.00 ATOM 162 CB ASP A 22 19.785 6.169 -7.129 1.00 0.00 ATOM 163 CG ASP A 22 20.786 6.124 -6.009 1.00 0.00 ATOM 164 OD1 ASP A 22 20.463 5.562 -4.958 1.00 0.00 ATOM 165 OD2 ASP A 22 21.927 6.621 -6.194 1.00 0.00 ATOM 166 O ASP A 22 17.455 6.252 -4.542 1.00 0.00 ATOM 167 C ASP A 22 17.733 5.820 -5.663 1.00 0.00 ATOM 168 N ARG A 23 17.439 4.593 -6.066 1.00 0.00 ATOM 169 CA ARG A 23 16.753 3.605 -5.228 1.00 0.00 ATOM 170 CB ARG A 23 16.717 2.266 -5.954 1.00 0.00 ATOM 171 CG ARG A 23 15.743 2.228 -7.053 1.00 0.00 ATOM 172 CD ARG A 23 16.076 1.151 -8.057 1.00 0.00 ATOM 173 NE ARG A 23 14.986 0.995 -9.015 1.00 0.00 ATOM 174 CZ ARG A 23 14.811 1.735 -10.109 1.00 0.00 ATOM 175 NH1 ARG A 23 15.664 2.693 -10.434 1.00 0.00 ATOM 176 NH2 ARG A 23 13.766 1.499 -10.889 1.00 0.00 ATOM 177 O ARG A 23 16.760 3.210 -2.892 1.00 0.00 ATOM 178 C ARG A 23 17.426 3.365 -3.907 1.00 0.00 ATOM 179 N ASP A 24 18.751 3.286 -3.939 1.00 0.00 ATOM 180 CA ASP A 24 19.533 3.094 -2.723 1.00 0.00 ATOM 181 CB ASP A 24 21.007 2.860 -3.063 1.00 0.00 ATOM 182 CG ASP A 24 21.254 1.489 -3.658 1.00 0.00 ATOM 183 OD1 ASP A 24 20.416 0.588 -3.445 1.00 0.00 ATOM 184 OD2 ASP A 24 22.286 1.310 -4.340 1.00 0.00 ATOM 185 O ASP A 24 19.285 4.099 -0.559 1.00 0.00 ATOM 186 C ASP A 24 19.400 4.278 -1.772 1.00 0.00 ATOM 187 N GLU A 25 19.416 5.489 -2.322 1.00 0.00 ATOM 188 CA GLU A 25 19.346 6.696 -1.503 1.00 0.00 ATOM 189 CB GLU A 25 19.650 7.946 -2.335 1.00 0.00 ATOM 190 CG GLU A 25 21.137 8.146 -2.634 1.00 0.00 ATOM 191 CD GLU A 25 21.466 9.576 -3.019 1.00 0.00 ATOM 192 OE1 GLU A 25 20.538 10.410 -3.065 1.00 0.00 ATOM 193 OE2 GLU A 25 22.654 9.866 -3.274 1.00 0.00 ATOM 194 O GLU A 25 17.846 7.303 0.267 1.00 0.00 ATOM 195 C GLU A 25 17.970 6.834 -0.863 1.00 0.00 ATOM 196 N LEU A 26 16.938 6.428 -1.595 1.00 0.00 ATOM 197 CA LEU A 26 15.577 6.463 -1.078 1.00 0.00 ATOM 198 CB LEU A 26 14.575 6.207 -2.204 1.00 0.00 ATOM 199 CG LEU A 26 13.103 6.164 -1.793 1.00 0.00 ATOM 200 CD1 LEU A 26 12.681 7.481 -1.149 1.00 0.00 ATOM 201 CD2 LEU A 26 12.234 5.852 -2.999 1.00 0.00 ATOM 202 O LEU A 26 14.654 5.649 0.982 1.00 0.00 ATOM 203 C LEU A 26 15.395 5.426 0.025 1.00 0.00 ATOM 204 N PHE A 27 16.078 4.294 -0.114 1.00 0.00 ATOM 205 CA PHE A 27 15.949 3.204 0.846 1.00 0.00 ATOM 206 CB PHE A 27 16.631 1.938 0.319 1.00 0.00 ATOM 207 CG PHE A 27 16.766 0.853 1.349 1.00 0.00 ATOM 208 CD1 PHE A 27 15.645 0.214 1.851 1.00 0.00 ATOM 209 CD2 PHE A 27 18.013 0.475 1.819 1.00 0.00 ATOM 210 CE1 PHE A 27 15.765 -0.783 2.801 1.00 0.00 ATOM 211 CE2 PHE A 27 18.139 -0.522 2.768 1.00 0.00 ATOM 212 CZ PHE A 27 17.013 -1.151 3.259 1.00 0.00 ATOM 213 O PHE A 27 16.022 3.265 3.244 1.00 0.00 ATOM 214 C PHE A 27 16.561 3.593 2.188 1.00 0.00 ATOM 215 N TYR A 28 17.691 4.292 2.139 1.00 0.00 ATOM 216 CA TYR A 28 18.292 4.855 3.342 1.00 0.00 ATOM 217 CB TYR A 28 19.672 5.438 3.025 1.00 0.00 ATOM 218 CG TYR A 28 20.571 4.516 2.228 1.00 0.00 ATOM 219 CD1 TYR A 28 20.527 3.138 2.404 1.00 0.00 ATOM 220 CD2 TYR A 28 21.469 5.027 1.300 1.00 0.00 ATOM 221 CE1 TYR A 28 21.350 2.296 1.678 1.00 0.00 ATOM 222 CE2 TYR A 28 22.296 4.193 0.569 1.00 0.00 ATOM 223 CZ TYR A 28 22.232 2.830 0.763 1.00 0.00 ATOM 224 OH TYR A 28 23.051 1.995 0.038 1.00 0.00 ATOM 225 O TYR A 28 17.249 6.024 5.158 1.00 0.00 ATOM 226 C TYR A 28 17.397 5.936 3.940 1.00 0.00 ATOM 227 N CYS A 29 16.805 6.755 3.079 1.00 0.00 ATOM 228 CA CYS A 29 16.047 7.917 3.527 1.00 0.00 ATOM 229 CB CYS A 29 15.797 8.869 2.356 1.00 0.00 ATOM 230 SG CYS A 29 17.292 9.655 1.710 1.00 0.00 ATOM 231 O CYS A 29 14.152 8.205 4.971 1.00 0.00 ATOM 232 C CYS A 29 14.719 7.491 4.144 1.00 0.00 ATOM 233 N TYR A 30 14.228 6.324 3.738 1.00 0.00 ATOM 234 CA TYR A 30 12.839 5.951 3.981 1.00 0.00 ATOM 235 CB TYR A 30 11.904 6.941 3.274 1.00 0.00 ATOM 236 CG TYR A 30 10.421 6.815 3.597 1.00 0.00 ATOM 237 CD1 TYR A 30 9.933 5.838 4.464 1.00 0.00 ATOM 238 CD2 TYR A 30 9.505 7.688 3.022 1.00 0.00 ATOM 239 CE1 TYR A 30 8.578 5.745 4.742 1.00 0.00 ATOM 240 CE2 TYR A 30 8.154 7.598 3.297 1.00 0.00 ATOM 241 CZ TYR A 30 7.697 6.625 4.156 1.00 0.00 ATOM 242 OH TYR A 30 6.352 6.533 4.431 1.00 0.00 ATOM 243 O TYR A 30 12.181 4.364 2.308 1.00 0.00 ATOM 244 C TYR A 30 12.594 4.540 3.453 1.00 0.00 ATOM 245 N PRO A 31 12.866 3.538 4.283 1.00 0.00 ATOM 246 CA PRO A 31 12.922 2.148 3.816 1.00 0.00 ATOM 247 CB PRO A 31 13.244 1.376 5.094 1.00 0.00 ATOM 248 CG PRO A 31 14.170 2.316 5.838 1.00 0.00 ATOM 249 CD PRO A 31 13.555 3.705 5.577 1.00 0.00 ATOM 250 O PRO A 31 11.631 0.805 2.319 1.00 0.00 ATOM 251 C PRO A 31 11.610 1.656 3.207 1.00 0.00 ATOM 252 N LYS A 32 10.486 2.185 3.682 1.00 0.00 ATOM 253 CA LYS A 32 9.176 1.665 3.298 1.00 0.00 ATOM 254 CB LYS A 32 8.135 1.969 4.379 1.00 0.00 ATOM 255 CG LYS A 32 8.287 1.139 5.650 1.00 0.00 ATOM 256 CD LYS A 32 7.021 1.188 6.503 1.00 0.00 ATOM 257 CE LYS A 32 6.596 2.615 6.838 1.00 0.00 ATOM 258 NZ LYS A 32 7.655 3.387 7.566 1.00 0.00 ATOM 259 O LYS A 32 7.826 1.748 1.313 1.00 0.00 ATOM 260 C LYS A 32 8.726 2.269 1.972 1.00 0.00 ATOM 261 N ALA A 33 9.357 3.374 1.590 1.00 0.00 ATOM 262 CA ALA A 33 9.030 4.057 0.344 1.00 0.00 ATOM 263 CB ALA A 33 9.869 5.322 0.202 1.00 0.00 ATOM 264 O ALA A 33 10.008 2.165 -0.766 1.00 0.00 ATOM 265 C ALA A 33 9.256 3.135 -0.851 1.00 0.00 ATOM 266 N ILE A 34 8.596 3.446 -1.961 1.00 0.00 ATOM 267 CA ILE A 34 8.839 2.750 -3.219 1.00 0.00 ATOM 268 CB ILE A 34 7.571 2.015 -3.699 1.00 0.00 ATOM 269 CG1 ILE A 34 7.115 1.007 -2.639 1.00 0.00 ATOM 270 CG2 ILE A 34 7.841 1.307 -5.028 1.00 0.00 ATOM 271 CD1 ILE A 34 5.837 0.273 -2.992 1.00 0.00 ATOM 272 O ILE A 34 8.541 4.682 -4.615 1.00 0.00 ATOM 273 C ILE A 34 9.274 3.746 -4.296 1.00 0.00 ATOM 274 N TRP A 35 10.467 3.548 -4.851 1.00 0.00 ATOM 275 CA TRP A 35 10.913 4.308 -6.016 1.00 0.00 ATOM 276 CB TRP A 35 12.291 3.809 -6.460 1.00 0.00 ATOM 277 CG TRP A 35 12.943 4.657 -7.507 1.00 0.00 ATOM 278 CD1 TRP A 35 12.896 4.472 -8.858 1.00 0.00 ATOM 279 CD2 TRP A 35 13.754 5.818 -7.291 1.00 0.00 ATOM 280 CE2 TRP A 35 14.159 6.287 -8.555 1.00 0.00 ATOM 281 CE3 TRP A 35 14.174 6.508 -6.149 1.00 0.00 ATOM 282 NE1 TRP A 35 13.622 5.448 -9.496 1.00 0.00 ATOM 283 CZ2 TRP A 35 14.963 7.414 -8.712 1.00 0.00 ATOM 284 CZ3 TRP A 35 14.972 7.627 -6.306 1.00 0.00 ATOM 285 CH2 TRP A 35 15.358 8.069 -7.578 1.00 0.00 ATOM 286 O TRP A 35 9.331 3.067 -7.317 1.00 0.00 ATOM 287 C TRP A 35 9.909 4.142 -7.153 1.00 0.00 ATOM 288 N PRO A 36 9.700 5.192 -7.945 1.00 0.00 ATOM 289 CA PRO A 36 10.144 6.541 -7.636 1.00 0.00 ATOM 290 CB PRO A 36 9.913 7.287 -8.956 1.00 0.00 ATOM 291 CG PRO A 36 8.754 6.612 -9.521 1.00 0.00 ATOM 292 CD PRO A 36 8.916 5.162 -9.197 1.00 0.00 ATOM 293 O PRO A 36 8.213 6.950 -6.285 1.00 0.00 ATOM 294 C PRO A 36 9.382 7.206 -6.504 1.00 0.00 ATOM 295 N PHE A 37 10.089 8.045 -5.769 1.00 0.00 ATOM 296 CA PHE A 37 9.490 8.784 -4.675 1.00 0.00 ATOM 297 CB PHE A 37 10.585 9.423 -3.826 1.00 0.00 ATOM 298 CG PHE A 37 10.175 9.766 -2.403 1.00 0.00 ATOM 299 CD1 PHE A 37 9.338 8.951 -1.641 1.00 0.00 ATOM 300 CD2 PHE A 37 10.677 10.928 -1.816 1.00 0.00 ATOM 301 CE1 PHE A 37 9.041 9.302 -0.332 1.00 0.00 ATOM 302 CE2 PHE A 37 10.376 11.264 -0.516 1.00 0.00 ATOM 303 CZ PHE A 37 9.549 10.464 0.221 1.00 0.00 ATOM 304 O PHE A 37 8.580 10.133 -6.444 1.00 0.00 ATOM 305 C PHE A 37 8.534 9.805 -5.247 1.00 0.00 ATOM 306 N SER A 38 7.631 10.268 -4.407 1.00 0.00 ATOM 307 CA SER A 38 6.570 11.173 -4.827 1.00 0.00 ATOM 308 CB SER A 38 5.380 10.378 -5.370 1.00 0.00 ATOM 309 OG SER A 38 4.761 9.619 -4.345 1.00 0.00 ATOM 310 O SER A 38 6.304 11.632 -2.488 1.00 0.00 ATOM 311 C SER A 38 6.124 12.001 -3.650 1.00 0.00 ATOM 312 N VAL A 39 5.491 13.113 -3.955 1.00 0.00 ATOM 313 CA VAL A 39 4.947 13.939 -2.918 1.00 0.00 ATOM 314 CB VAL A 39 4.383 15.276 -3.481 1.00 0.00 ATOM 315 CG1 VAL A 39 5.492 16.129 -4.012 1.00 0.00 ATOM 316 CG2 VAL A 39 3.271 15.073 -4.510 1.00 0.00 ATOM 317 O VAL A 39 3.796 13.435 -0.886 1.00 0.00 ATOM 318 C VAL A 39 3.896 13.198 -2.089 1.00 0.00 ATOM 319 N ALA A 40 3.110 12.313 -2.689 1.00 0.00 ATOM 320 CA ALA A 40 2.088 11.589 -1.932 1.00 0.00 ATOM 321 CB ALA A 40 1.181 10.796 -2.852 1.00 0.00 ATOM 322 O ALA A 40 2.285 10.596 0.249 1.00 0.00 ATOM 323 C ALA A 40 2.748 10.677 -0.895 1.00 0.00 ATOM 324 N GLN A 41 3.825 9.985 -1.270 1.00 0.00 ATOM 325 CA GLN A 41 4.530 9.151 -0.291 1.00 0.00 ATOM 326 CB GLN A 41 5.634 8.323 -0.936 1.00 0.00 ATOM 327 CG GLN A 41 5.127 7.238 -1.885 1.00 0.00 ATOM 328 CD GLN A 41 6.261 6.363 -2.375 1.00 0.00 ATOM 329 OE1 GLN A 41 6.844 5.626 -1.606 1.00 0.00 ATOM 330 NE2 GLN A 41 6.636 6.503 -3.646 1.00 0.00 ATOM 331 O GLN A 41 5.127 9.583 1.994 1.00 0.00 ATOM 332 C GLN A 41 5.150 9.983 0.821 1.00 0.00 ATOM 333 N LEU A 42 5.709 11.146 0.472 1.00 0.00 ATOM 334 CA LEU A 42 6.275 12.030 1.476 1.00 0.00 ATOM 335 CB LEU A 42 7.042 13.170 0.815 1.00 0.00 ATOM 336 CG LEU A 42 7.693 14.171 1.747 1.00 0.00 ATOM 337 CD1 LEU A 42 8.668 13.507 2.704 1.00 0.00 ATOM 338 CD2 LEU A 42 8.393 15.264 0.965 1.00 0.00 ATOM 339 O LEU A 42 5.375 12.562 3.674 1.00 0.00 ATOM 340 C LEU A 42 5.191 12.550 2.440 1.00 0.00 ATOM 341 N ALA A 43 4.059 12.962 1.893 1.00 0.00 ATOM 342 CA ALA A 43 2.987 13.461 2.738 1.00 0.00 ATOM 343 CB ALA A 43 1.852 14.030 1.903 1.00 0.00 ATOM 344 O ALA A 43 2.143 12.640 4.827 1.00 0.00 ATOM 345 C ALA A 43 2.466 12.360 3.669 1.00 0.00 ATOM 346 N ALA A 44 2.423 11.118 3.199 1.00 0.00 ATOM 347 CA ALA A 44 1.953 10.014 4.041 1.00 0.00 ATOM 348 CB ALA A 44 1.807 8.763 3.231 1.00 0.00 ATOM 349 O ALA A 44 2.527 9.515 6.323 1.00 0.00 ATOM 350 C ALA A 44 2.931 9.788 5.188 1.00 0.00 ATOM 351 N ALA A 45 4.222 9.915 4.907 1.00 0.00 ATOM 352 CA ALA A 45 5.226 9.805 5.976 1.00 0.00 ATOM 353 CB ALA A 45 6.610 9.878 5.422 1.00 0.00 ATOM 354 O ALA A 45 5.094 10.608 8.211 1.00 0.00 ATOM 355 C ALA A 45 5.062 10.888 7.004 1.00 0.00 ATOM 356 N ILE A 46 4.876 12.118 6.550 1.00 0.00 ATOM 357 CA ILE A 46 4.735 13.257 7.445 1.00 0.00 ATOM 358 CB ILE A 46 4.612 14.562 6.657 1.00 0.00 ATOM 359 CG1 ILE A 46 5.969 14.921 6.041 1.00 0.00 ATOM 360 CG2 ILE A 46 4.093 15.702 7.518 1.00 0.00 ATOM 361 CD1 ILE A 46 5.888 16.040 5.010 1.00 0.00 ATOM 362 O ILE A 46 3.598 13.253 9.577 1.00 0.00 ATOM 363 C ILE A 46 3.525 13.043 8.356 1.00 0.00 ATOM 364 N ALA A 47 2.420 12.579 7.800 1.00 0.00 ATOM 365 CA ALA A 47 1.204 12.383 8.588 1.00 0.00 ATOM 366 CB ALA A 47 0.051 12.014 7.675 1.00 0.00 ATOM 367 O ALA A 47 0.663 11.373 10.689 1.00 0.00 ATOM 368 C ALA A 47 1.378 11.323 9.680 1.00 0.00 ATOM 369 N GLU A 48 2.264 10.353 9.479 1.00 0.00 ATOM 370 CA GLU A 48 2.530 9.256 10.435 1.00 0.00 ATOM 371 CB GLU A 48 3.016 8.013 9.669 1.00 0.00 ATOM 372 CG GLU A 48 1.991 7.299 8.842 1.00 0.00 ATOM 373 CD GLU A 48 2.513 5.975 8.367 1.00 0.00 ATOM 374 OE1 GLU A 48 3.703 5.908 7.974 1.00 0.00 ATOM 375 OE2 GLU A 48 1.749 4.986 8.413 1.00 0.00 ATOM 376 O GLU A 48 3.911 8.751 12.341 1.00 0.00 ATOM 377 C GLU A 48 3.627 9.574 11.446 1.00 0.00 ATOM 378 N ARG A 49 4.280 10.725 11.289 1.00 0.00 ATOM 379 CA ARG A 49 5.479 11.057 12.056 1.00 0.00 ATOM 380 CB ARG A 49 6.666 11.086 11.105 1.00 0.00 ATOM 381 CG ARG A 49 6.982 9.710 10.614 1.00 0.00 ATOM 382 CD ARG A 49 8.018 9.705 9.590 1.00 0.00 ATOM 383 NE ARG A 49 8.114 8.333 9.189 1.00 0.00 ATOM 384 CZ ARG A 49 9.206 7.727 8.823 1.00 0.00 ATOM 385 NH1 ARG A 49 10.353 8.373 8.808 1.00 0.00 ATOM 386 NH2 ARG A 49 9.106 6.429 8.497 1.00 0.00 ATOM 387 O ARG A 49 4.179 12.871 12.918 1.00 0.00 ATOM 388 C ARG A 49 5.283 12.340 12.841 1.00 0.00 ATOM 389 N ARG A 50 6.345 12.811 13.485 1.00 0.00 ATOM 390 CA ARG A 50 6.307 14.034 14.250 1.00 0.00 ATOM 391 CB ARG A 50 6.285 13.768 15.778 1.00 0.00 ATOM 392 CG ARG A 50 5.093 13.017 16.278 1.00 0.00 ATOM 393 CD ARG A 50 3.841 13.858 16.242 1.00 0.00 ATOM 394 NE ARG A 50 2.721 13.102 16.819 1.00 0.00 ATOM 395 CZ ARG A 50 1.958 12.230 16.151 1.00 0.00 ATOM 396 NH1 ARG A 50 2.154 11.962 14.860 1.00 0.00 ATOM 397 NH2 ARG A 50 0.976 11.599 16.783 1.00 0.00 ATOM 398 O ARG A 50 8.572 14.373 13.609 1.00 0.00 ATOM 399 C ARG A 50 7.505 14.877 13.944 1.00 0.00 ATOM 400 N GLY A 51 7.356 16.176 14.092 1.00 0.00 ATOM 401 CA GLY A 51 8.489 17.060 14.034 1.00 0.00 ATOM 402 O GLY A 51 10.265 17.598 12.556 1.00 0.00 ATOM 403 C GLY A 51 9.082 17.294 12.650 1.00 0.00 ATOM 404 N SER A 52 8.287 17.167 11.583 1.00 0.00 ATOM 405 CA SER A 52 8.791 17.352 10.220 1.00 0.00 ATOM 406 CB SER A 52 7.773 16.912 9.163 1.00 0.00 ATOM 407 OG SER A 52 7.712 15.489 9.080 1.00 0.00 ATOM 408 O SER A 52 8.401 19.700 10.121 1.00 0.00 ATOM 409 C SER A 52 9.221 18.782 10.018 1.00 0.00 ATOM 410 N THR A 53 10.511 18.952 9.727 1.00 0.00 ATOM 411 CA THR A 53 11.221 20.242 9.774 1.00 0.00 ATOM 412 CB THR A 53 12.149 20.272 11.005 1.00 0.00 ATOM 413 CG2 THR A 53 12.891 21.568 11.145 1.00 0.00 ATOM 414 OG1 THR A 53 11.368 20.051 12.180 1.00 0.00 ATOM 415 O THR A 53 12.697 19.409 8.069 1.00 0.00 ATOM 416 C THR A 53 12.064 20.383 8.497 1.00 0.00 ATOM 417 N VAL A 54 12.108 21.579 7.920 1.00 0.00 ATOM 418 CA VAL A 54 13.015 21.864 6.841 1.00 0.00 ATOM 419 CB VAL A 54 12.286 22.426 5.583 1.00 0.00 ATOM 420 CG1 VAL A 54 11.390 21.361 4.953 1.00 0.00 ATOM 421 CG2 VAL A 54 11.496 23.698 5.892 1.00 0.00 ATOM 422 O VAL A 54 13.886 23.691 8.173 1.00 0.00 ATOM 423 C VAL A 54 14.097 22.850 7.282 1.00 0.00 ATOM 424 N ALA A 55 15.264 22.720 6.647 1.00 0.00 ATOM 425 CA ALA A 55 16.357 23.660 6.767 1.00 0.00 ATOM 426 CB ALA A 55 17.675 22.923 6.986 1.00 0.00 ATOM 427 O ALA A 55 16.367 23.904 4.408 1.00 0.00 ATOM 428 C ALA A 55 16.441 24.475 5.491 1.00 0.00 ATOM 429 N VAL A 56 16.629 25.788 5.649 1.00 0.00 ATOM 430 CA VAL A 56 16.577 26.757 4.570 1.00 0.00 ATOM 431 CB VAL A 56 15.328 27.682 4.752 1.00 0.00 ATOM 432 CG1 VAL A 56 15.291 28.780 3.692 1.00 0.00 ATOM 433 CG2 VAL A 56 14.051 26.870 4.719 1.00 0.00 ATOM 434 O VAL A 56 18.347 28.027 5.589 1.00 0.00 ATOM 435 C VAL A 56 17.867 27.585 4.550 1.00 0.00 ATOM 436 N HIS A 57 18.423 27.769 3.362 1.00 0.00 ATOM 437 CA HIS A 57 19.565 28.665 3.183 1.00 0.00 ATOM 438 CB HIS A 57 20.860 27.852 3.138 1.00 0.00 ATOM 439 CG HIS A 57 22.032 28.593 2.569 1.00 0.00 ATOM 440 CD2 HIS A 57 22.539 28.625 1.316 1.00 0.00 ATOM 441 ND1 HIS A 57 22.814 29.436 3.321 1.00 0.00 ATOM 442 CE1 HIS A 57 23.752 29.964 2.557 1.00 0.00 ATOM 443 NE2 HIS A 57 23.611 29.487 1.335 1.00 0.00 ATOM 444 O HIS A 57 19.102 28.830 0.854 1.00 0.00 ATOM 445 C HIS A 57 19.397 29.418 1.886 1.00 0.00 ATOM 446 N ASP A 58 19.580 30.735 1.941 1.00 0.00 ATOM 447 CA ASP A 58 19.462 31.586 0.749 1.00 0.00 ATOM 448 CB ASP A 58 20.668 31.382 -0.181 1.00 0.00 ATOM 449 CG ASP A 58 20.755 32.412 -1.306 1.00 0.00 ATOM 450 OD1 ASP A 58 20.303 33.552 -1.127 1.00 0.00 ATOM 451 OD2 ASP A 58 21.281 32.038 -2.369 1.00 0.00 ATOM 452 O ASP A 58 18.117 31.223 -1.230 1.00 0.00 ATOM 453 C ASP A 58 18.149 31.324 0.011 1.00 0.00 ATOM 454 N GLY A 59 17.068 31.211 0.778 1.00 0.00 ATOM 455 CA GLY A 59 15.745 30.974 0.200 1.00 0.00 ATOM 456 O GLY A 59 14.368 29.306 -0.836 1.00 0.00 ATOM 457 C GLY A 59 15.451 29.573 -0.303 1.00 0.00 ATOM 458 N GLN A 60 16.385 28.646 -0.137 1.00 0.00 ATOM 459 CA GLN A 60 16.185 27.314 -0.682 1.00 0.00 ATOM 460 CB GLN A 60 17.385 26.911 -1.526 1.00 0.00 ATOM 461 CG GLN A 60 17.809 27.932 -2.578 1.00 0.00 ATOM 462 CD GLN A 60 16.738 28.180 -3.621 1.00 0.00 ATOM 463 OE1 GLN A 60 16.067 27.257 -4.082 1.00 0.00 ATOM 464 NE2 GLN A 60 16.568 29.450 -4.002 1.00 0.00 ATOM 465 O GLN A 60 16.786 26.327 1.418 1.00 0.00 ATOM 466 C GLN A 60 16.018 26.317 0.445 1.00 0.00 ATOM 467 N VAL A 61 15.050 25.425 0.287 1.00 0.00 ATOM 468 CA VAL A 61 14.923 24.268 1.169 1.00 0.00 ATOM 469 CB VAL A 61 13.550 23.645 1.017 1.00 0.00 ATOM 470 CG1 VAL A 61 13.451 22.324 1.779 1.00 0.00 ATOM 471 CG2 VAL A 61 12.471 24.618 1.526 1.00 0.00 ATOM 472 O VAL A 61 16.049 22.756 -0.302 1.00 0.00 ATOM 473 C VAL A 61 16.006 23.243 0.836 1.00 0.00 ATOM 474 N LEU A 62 16.917 22.992 1.784 1.00 0.00 ATOM 475 CA LEU A 62 18.094 22.152 1.553 1.00 0.00 ATOM 476 CB LEU A 62 19.380 22.921 1.874 1.00 0.00 ATOM 477 CG LEU A 62 19.688 24.177 1.046 1.00 0.00 ATOM 478 CD1 LEU A 62 21.072 24.656 1.360 1.00 0.00 ATOM 479 CD2 LEU A 62 19.578 23.850 -0.410 1.00 0.00 ATOM 480 O LEU A 62 18.844 19.963 2.061 1.00 0.00 ATOM 481 C LEU A 62 18.067 20.859 2.347 1.00 0.00 ATOM 482 N GLY A 63 17.206 20.769 3.350 1.00 0.00 ATOM 483 CA GLY A 63 17.178 19.589 4.205 1.00 0.00 ATOM 484 O GLY A 63 15.053 20.314 4.960 1.00 0.00 ATOM 485 C GLY A 63 15.826 19.379 4.839 1.00 0.00 ATOM 486 N PHE A 64 15.558 18.125 5.188 1.00 0.00 ATOM 487 CA PHE A 64 14.308 17.693 5.801 1.00 0.00 ATOM 488 CB PHE A 64 13.347 17.203 4.707 1.00 0.00 ATOM 489 CG PHE A 64 12.069 16.591 5.192 1.00 0.00 ATOM 490 CD1 PHE A 64 10.956 17.369 5.421 1.00 0.00 ATOM 491 CD2 PHE A 64 11.967 15.229 5.373 1.00 0.00 ATOM 492 CE1 PHE A 64 9.798 16.796 5.827 1.00 0.00 ATOM 493 CE2 PHE A 64 10.799 14.656 5.800 1.00 0.00 ATOM 494 CZ PHE A 64 9.718 15.446 6.046 1.00 0.00 ATOM 495 O PHE A 64 15.347 15.698 6.529 1.00 0.00 ATOM 496 C PHE A 64 14.587 16.604 6.819 1.00 0.00 ATOM 497 N ALA A 65 13.939 16.673 7.982 1.00 0.00 ATOM 498 CA ALA A 65 14.043 15.621 8.972 1.00 0.00 ATOM 499 CB ALA A 65 15.240 15.847 9.857 1.00 0.00 ATOM 500 O ALA A 65 11.979 16.470 9.831 1.00 0.00 ATOM 501 C ALA A 65 12.764 15.539 9.780 1.00 0.00 ATOM 502 N ASN A 66 12.549 14.391 10.415 1.00 0.00 ATOM 503 CA ASN A 66 11.464 14.188 11.365 1.00 0.00 ATOM 504 CB ASN A 66 10.146 13.874 10.646 1.00 0.00 ATOM 505 CG ASN A 66 10.231 12.694 9.738 1.00 0.00 ATOM 506 ND2 ASN A 66 9.522 12.783 8.625 1.00 0.00 ATOM 507 OD1 ASN A 66 10.854 11.687 10.043 1.00 0.00 ATOM 508 O ASN A 66 12.969 12.590 12.341 1.00 0.00 ATOM 509 C ASN A 66 11.861 13.100 12.382 1.00 0.00 ATOM 510 N PHE A 67 10.932 12.804 13.285 1.00 0.00 ATOM 511 CA PHE A 67 11.043 11.650 14.166 1.00 0.00 ATOM 512 CB PHE A 67 10.558 11.961 15.591 1.00 0.00 ATOM 513 CG PHE A 67 11.315 13.044 16.297 1.00 0.00 ATOM 514 CD1 PHE A 67 12.687 13.013 16.408 1.00 0.00 ATOM 515 CD2 PHE A 67 10.622 14.082 16.896 1.00 0.00 ATOM 516 CE1 PHE A 67 13.350 14.037 17.126 1.00 0.00 ATOM 517 CE2 PHE A 67 11.281 15.085 17.577 1.00 0.00 ATOM 518 CZ PHE A 67 12.620 15.046 17.713 1.00 0.00 ATOM 519 O PHE A 67 8.966 10.784 13.384 1.00 0.00 ATOM 520 C PHE A 67 10.125 10.542 13.672 1.00 0.00 ATOM 521 N TYR A 68 10.599 9.290 13.686 1.00 0.00 ATOM 522 CA TYR A 68 9.666 8.170 13.493 1.00 0.00 ATOM 523 CB TYR A 68 10.106 7.151 12.446 1.00 0.00 ATOM 524 CG TYR A 68 10.952 5.994 12.938 1.00 0.00 ATOM 525 CD1 TYR A 68 10.430 4.697 13.023 1.00 0.00 ATOM 526 CD2 TYR A 68 12.269 6.177 13.316 1.00 0.00 ATOM 527 CE1 TYR A 68 11.209 3.626 13.448 1.00 0.00 ATOM 528 CE2 TYR A 68 13.050 5.108 13.744 1.00 0.00 ATOM 529 CZ TYR A 68 12.506 3.858 13.821 1.00 0.00 ATOM 530 OH TYR A 68 13.288 2.816 14.235 1.00 0.00 ATOM 531 O TYR A 68 8.305 6.718 14.757 1.00 0.00 ATOM 532 C TYR A 68 9.263 7.473 14.773 1.00 0.00 ATOM 533 N GLN A 69 9.957 7.762 15.878 1.00 0.00 ATOM 534 CA GLN A 69 9.529 7.299 17.203 1.00 0.00 ATOM 535 CB GLN A 69 10.356 6.098 17.706 1.00 0.00 ATOM 536 CG GLN A 69 10.326 4.905 16.801 1.00 0.00 ATOM 537 CD GLN A 69 11.230 3.798 17.266 1.00 0.00 ATOM 538 OE1 GLN A 69 12.260 4.036 17.891 1.00 0.00 ATOM 539 NE2 GLN A 69 10.869 2.579 16.921 1.00 0.00 ATOM 540 O GLN A 69 10.587 9.242 18.058 1.00 0.00 ATOM 541 C GLN A 69 9.675 8.446 18.175 1.00 0.00 ATOM 542 N TRP A 70 8.772 8.505 19.145 1.00 0.00 ATOM 543 CA TRP A 70 8.787 9.555 20.148 1.00 0.00 ATOM 544 CB TRP A 70 8.066 10.832 19.650 1.00 0.00 ATOM 545 CG TRP A 70 6.681 10.570 19.153 1.00 0.00 ATOM 546 CD1 TRP A 70 5.516 10.642 19.875 1.00 0.00 ATOM 547 CD2 TRP A 70 6.300 10.158 17.835 1.00 0.00 ATOM 548 CE2 TRP A 70 4.904 9.990 17.834 1.00 0.00 ATOM 549 CE3 TRP A 70 7.000 9.940 16.646 1.00 0.00 ATOM 550 NE1 TRP A 70 4.454 10.291 19.090 1.00 0.00 ATOM 551 CZ2 TRP A 70 4.197 9.610 16.706 1.00 0.00 ATOM 552 CZ3 TRP A 70 6.297 9.538 15.521 1.00 0.00 ATOM 553 CH2 TRP A 70 4.910 9.378 15.565 1.00 0.00 ATOM 554 O TRP A 70 7.028 8.359 21.286 1.00 0.00 ATOM 555 C TRP A 70 8.103 8.953 21.376 1.00 0.00 ATOM 556 N GLN A 71 8.767 9.083 22.517 1.00 0.00 ATOM 557 CA GLN A 71 8.270 8.520 23.774 1.00 0.00 ATOM 558 CB GLN A 71 8.951 7.188 24.055 1.00 0.00 ATOM 559 CG GLN A 71 8.570 6.046 23.100 1.00 0.00 ATOM 560 CD GLN A 71 7.121 5.606 23.240 1.00 0.00 ATOM 561 OE1 GLN A 71 6.488 5.808 24.274 1.00 0.00 ATOM 562 NE2 GLN A 71 6.587 5.000 22.188 1.00 0.00 ATOM 563 O GLN A 71 9.764 9.736 25.221 1.00 0.00 ATOM 564 C GLN A 71 8.597 9.540 24.861 1.00 0.00 ATOM 565 N HIS A 72 7.558 10.200 25.365 1.00 0.00 ATOM 566 CA HIS A 72 7.744 11.301 26.302 1.00 0.00 ATOM 567 CB HIS A 72 6.405 11.893 26.733 1.00 0.00 ATOM 568 CG HIS A 72 6.538 13.193 27.466 1.00 0.00 ATOM 569 CD2 HIS A 72 6.770 13.453 28.773 1.00 0.00 ATOM 570 ND1 HIS A 72 6.462 14.418 26.838 1.00 0.00 ATOM 571 CE1 HIS A 72 6.646 15.376 27.730 1.00 0.00 ATOM 572 NE2 HIS A 72 6.829 14.817 28.913 1.00 0.00 ATOM 573 O HIS A 72 8.223 9.781 28.112 1.00 0.00 ATOM 574 C HIS A 72 8.531 10.835 27.530 1.00 0.00 ATOM 575 N GLY A 73 9.545 11.614 27.914 1.00 0.00 ATOM 576 CA GLY A 73 10.368 11.292 29.070 1.00 0.00 ATOM 577 O GLY A 73 12.163 9.888 29.710 1.00 0.00 ATOM 578 C GLY A 73 11.435 10.258 28.809 1.00 0.00 ATOM 579 N ASP A 74 11.570 9.803 27.564 1.00 0.00 ATOM 580 CA ASP A 74 12.355 8.624 27.289 1.00 0.00 ATOM 581 CB ASP A 74 11.399 7.443 27.046 1.00 0.00 ATOM 582 CG ASP A 74 12.077 6.109 27.082 1.00 0.00 ATOM 583 OD1 ASP A 74 13.315 6.057 27.178 1.00 0.00 ATOM 584 OD2 ASP A 74 11.351 5.093 26.970 1.00 0.00 ATOM 585 O ASP A 74 14.499 9.213 26.361 1.00 0.00 ATOM 586 C ASP A 74 13.322 8.910 26.126 1.00 0.00 ATOM 587 N PHE A 75 12.824 8.844 24.892 1.00 0.00 ATOM 588 CA PHE A 75 13.675 9.023 23.747 1.00 0.00 ATOM 589 CB PHE A 75 14.415 7.724 23.403 1.00 0.00 ATOM 590 CG PHE A 75 13.527 6.650 22.818 1.00 0.00 ATOM 591 CD1 PHE A 75 13.366 6.530 21.441 1.00 0.00 ATOM 592 CD2 PHE A 75 12.839 5.787 23.639 1.00 0.00 ATOM 593 CE1 PHE A 75 12.545 5.570 20.906 1.00 0.00 ATOM 594 CE2 PHE A 75 11.999 4.823 23.109 1.00 0.00 ATOM 595 CZ PHE A 75 11.853 4.713 21.742 1.00 0.00 ATOM 596 O PHE A 75 11.637 9.317 22.548 1.00 0.00 ATOM 597 C PHE A 75 12.850 9.463 22.558 1.00 0.00 ATOM 598 N CYS A 76 13.551 10.004 21.560 1.00 0.00 ATOM 599 CA CYS A 76 13.021 10.103 20.199 1.00 0.00 ATOM 600 CB CYS A 76 12.819 11.551 19.775 1.00 0.00 ATOM 601 SG CYS A 76 11.586 12.399 20.772 1.00 0.00 ATOM 602 O CYS A 76 15.195 9.245 19.609 1.00 0.00 ATOM 603 C CYS A 76 14.017 9.433 19.261 1.00 0.00 ATOM 604 N ALA A 77 13.535 9.041 18.092 1.00 0.00 ATOM 605 CA ALA A 77 14.367 8.411 17.071 1.00 0.00 ATOM 606 CB ALA A 77 13.987 6.933 16.888 1.00 0.00 ATOM 607 O ALA A 77 13.083 9.414 15.321 1.00 0.00 ATOM 608 C ALA A 77 14.200 9.150 15.767 1.00 0.00 ATOM 609 N LEU A 78 15.326 9.493 15.170 1.00 0.00 ATOM 610 CA LEU A 78 15.350 10.132 13.862 1.00 0.00 ATOM 611 CB LEU A 78 16.792 10.354 13.437 1.00 0.00 ATOM 612 CG LEU A 78 16.958 11.059 12.110 1.00 0.00 ATOM 613 CD1 LEU A 78 16.611 12.521 12.240 1.00 0.00 ATOM 614 CD2 LEU A 78 18.401 10.859 11.624 1.00 0.00 ATOM 615 O LEU A 78 14.882 8.106 12.685 1.00 0.00 ATOM 616 C LEU A 78 14.630 9.291 12.826 1.00 0.00 ATOM 617 N GLY A 79 13.714 9.919 12.111 1.00 0.00 ATOM 618 CA GLY A 79 13.007 9.282 10.999 1.00 0.00 ATOM 619 O GLY A 79 14.856 9.145 9.489 1.00 0.00 ATOM 620 C GLY A 79 13.714 9.571 9.707 1.00 0.00 ATOM 621 N ASN A 80 13.026 10.230 8.794 1.00 0.00 ATOM 622 CA ASN A 80 13.619 10.629 7.536 1.00 0.00 ATOM 623 CB ASN A 80 12.515 11.251 6.650 1.00 0.00 ATOM 624 CG ASN A 80 11.330 10.335 6.424 1.00 0.00 ATOM 625 ND2 ASN A 80 11.578 9.140 5.885 1.00 0.00 ATOM 626 OD1 ASN A 80 10.203 10.693 6.746 1.00 0.00 ATOM 627 O ASN A 80 14.558 12.568 8.596 1.00 0.00 ATOM 628 C ASN A 80 14.699 11.694 7.754 1.00 0.00 ATOM 629 N MET A 81 15.793 11.607 7.021 1.00 0.00 ATOM 630 CA MET A 81 16.815 12.650 6.938 1.00 0.00 ATOM 631 CB MET A 81 18.058 12.309 7.762 1.00 0.00 ATOM 632 CG MET A 81 19.223 13.300 7.509 1.00 0.00 ATOM 633 SD MET A 81 18.877 15.165 7.981 1.00 0.00 ATOM 634 CE MET A 81 19.152 14.872 9.370 1.00 0.00 ATOM 635 O MET A 81 17.695 11.749 4.908 1.00 0.00 ATOM 636 C MET A 81 17.196 12.724 5.465 1.00 0.00 ATOM 637 N MET A 82 16.942 13.877 4.857 1.00 0.00 ATOM 638 CA MET A 82 17.133 14.068 3.432 1.00 0.00 ATOM 639 CB MET A 82 15.777 14.032 2.718 1.00 0.00 ATOM 640 CG MET A 82 14.812 12.909 3.131 1.00 0.00 ATOM 641 SD MET A 82 13.438 12.679 1.761 1.00 0.00 ATOM 642 CE MET A 82 12.387 11.301 2.761 1.00 0.00 ATOM 643 O MET A 82 17.468 16.394 3.853 1.00 0.00 ATOM 644 C MET A 82 17.820 15.415 3.211 1.00 0.00 ATOM 645 N VAL A 83 18.797 15.456 2.312 1.00 0.00 ATOM 646 CA VAL A 83 19.514 16.688 2.013 1.00 0.00 ATOM 647 CB VAL A 83 20.933 16.675 2.675 1.00 0.00 ATOM 648 CG1 VAL A 83 21.752 17.928 2.309 1.00 0.00 ATOM 649 CG2 VAL A 83 20.790 16.599 4.181 1.00 0.00 ATOM 650 O VAL A 83 19.963 15.882 -0.205 1.00 0.00 ATOM 651 C VAL A 83 19.642 16.839 0.503 1.00 0.00 ATOM 652 N ALA A 84 19.437 18.058 0.024 1.00 0.00 ATOM 653 CA ALA A 84 19.591 18.352 -1.383 1.00 0.00 ATOM 654 CB ALA A 84 19.357 19.833 -1.574 1.00 0.00 ATOM 655 O ALA A 84 21.974 18.369 -1.211 1.00 0.00 ATOM 656 C ALA A 84 21.002 18.012 -1.856 1.00 0.00 ATOM 657 N PRO A 85 21.111 17.351 -3.004 1.00 0.00 ATOM 658 CA PRO A 85 22.418 16.943 -3.542 1.00 0.00 ATOM 659 CB PRO A 85 22.090 16.565 -4.993 1.00 0.00 ATOM 660 CG PRO A 85 20.654 16.084 -4.925 1.00 0.00 ATOM 661 CD PRO A 85 20.013 17.052 -3.941 1.00 0.00 ATOM 662 O PRO A 85 24.595 17.826 -3.060 1.00 0.00 ATOM 663 C PRO A 85 23.473 18.054 -3.511 1.00 0.00 ATOM 664 N ALA A 86 23.105 19.240 -3.986 1.00 0.00 ATOM 665 CA ALA A 86 24.030 20.354 -4.117 1.00 0.00 ATOM 666 CB ALA A 86 23.362 21.512 -4.856 1.00 0.00 ATOM 667 O ALA A 86 25.580 21.511 -2.695 1.00 0.00 ATOM 668 C ALA A 86 24.550 20.830 -2.767 1.00 0.00 ATOM 669 N ALA A 87 23.833 20.483 -1.697 1.00 0.00 ATOM 670 CA ALA A 87 24.123 20.978 -0.359 1.00 0.00 ATOM 671 CB ALA A 87 22.871 21.502 0.292 1.00 0.00 ATOM 672 O ALA A 87 25.025 20.198 1.698 1.00 0.00 ATOM 673 C ALA A 87 24.757 19.930 0.532 1.00 0.00 ATOM 674 N ARG A 88 25.032 18.746 0.016 1.00 0.00 ATOM 675 CA ARG A 88 25.607 17.714 0.872 1.00 0.00 ATOM 676 CB ARG A 88 25.473 16.373 0.210 1.00 0.00 ATOM 677 CG ARG A 88 24.019 15.941 0.178 1.00 0.00 ATOM 678 CD ARG A 88 23.839 14.680 -0.525 1.00 0.00 ATOM 679 NE ARG A 88 22.432 14.415 -0.815 1.00 0.00 ATOM 680 CZ ARG A 88 22.041 13.383 -1.539 1.00 0.00 ATOM 681 NH1 ARG A 88 22.948 12.548 -2.014 1.00 0.00 ATOM 682 NH2 ARG A 88 20.764 13.205 -1.805 1.00 0.00 ATOM 683 O ARG A 88 27.810 18.569 0.512 1.00 0.00 ATOM 684 C ARG A 88 27.043 17.996 1.274 1.00 0.00 ATOM 685 N GLY A 89 27.393 17.605 2.492 1.00 0.00 ATOM 686 CA GLY A 89 28.726 17.893 2.993 1.00 0.00 ATOM 687 O GLY A 89 30.060 19.650 3.874 1.00 0.00 ATOM 688 C GLY A 89 28.930 19.292 3.524 1.00 0.00 ATOM 689 N LEU A 90 27.858 20.085 3.601 1.00 0.00 ATOM 690 CA LEU A 90 27.953 21.505 3.980 1.00 0.00 ATOM 691 CB LEU A 90 27.303 22.393 2.921 1.00 0.00 ATOM 692 CG LEU A 90 27.788 22.187 1.491 1.00 0.00 ATOM 693 CD1 LEU A 90 27.156 23.237 0.600 1.00 0.00 ATOM 694 CD2 LEU A 90 29.326 22.244 1.380 1.00 0.00 ATOM 695 O LEU A 90 27.194 23.016 5.705 1.00 0.00 ATOM 696 C LEU A 90 27.346 21.847 5.340 1.00 0.00 ATOM 697 N GLY A 91 26.986 20.841 6.103 1.00 0.00 ATOM 698 CA GLY A 91 26.513 21.064 7.454 1.00 0.00 ATOM 699 O GLY A 91 24.518 21.392 8.671 1.00 0.00 ATOM 700 C GLY A 91 25.005 21.095 7.589 1.00 0.00 ATOM 701 N VAL A 92 24.266 20.771 6.532 1.00 0.00 ATOM 702 CA VAL A 92 22.802 20.799 6.618 1.00 0.00 ATOM 703 CB VAL A 92 22.162 20.711 5.223 1.00 0.00 ATOM 704 CG1 VAL A 92 20.634 20.646 5.347 1.00 0.00 ATOM 705 CG2 VAL A 92 22.585 21.910 4.363 1.00 0.00 ATOM 706 O VAL A 92 21.445 19.935 8.412 1.00 0.00 ATOM 707 C VAL A 92 22.272 19.681 7.539 1.00 0.00 ATOM 708 N ALA A 93 22.746 18.459 7.356 1.00 0.00 ATOM 709 CA ALA A 93 22.359 17.364 8.254 1.00 0.00 ATOM 710 CB ALA A 93 22.870 16.039 7.751 1.00 0.00 ATOM 711 O ALA A 93 22.082 17.420 10.621 1.00 0.00 ATOM 712 C ALA A 93 22.837 17.633 9.686 1.00 0.00 ATOM 713 N ARG A 94 24.070 18.100 9.874 1.00 0.00 ATOM 714 CA ARG A 94 24.545 18.457 11.221 1.00 0.00 ATOM 715 CB ARG A 94 25.975 19.021 11.177 1.00 0.00 ATOM 716 CG ARG A 94 26.448 19.670 12.480 1.00 0.00 ATOM 717 CD ARG A 94 27.847 20.257 12.352 1.00 0.00 ATOM 718 NE ARG A 94 28.859 19.219 12.180 1.00 0.00 ATOM 719 CZ ARG A 94 29.648 18.740 13.145 1.00 0.00 ATOM 720 NH1 ARG A 94 29.567 19.191 14.397 1.00 0.00 ATOM 721 NH2 ARG A 94 30.535 17.795 12.850 1.00 0.00 ATOM 722 O ARG A 94 23.192 19.333 13.021 1.00 0.00 ATOM 723 C ARG A 94 23.597 19.477 11.856 1.00 0.00 ATOM 724 N TYR A 95 23.258 20.521 11.105 1.00 0.00 ATOM 725 CA TYR A 95 22.362 21.540 11.623 1.00 0.00 ATOM 726 CB TYR A 95 22.177 22.607 10.536 1.00 0.00 ATOM 727 CG TYR A 95 21.165 23.672 10.879 1.00 0.00 ATOM 728 CD1 TYR A 95 21.462 24.695 11.759 1.00 0.00 ATOM 729 CD2 TYR A 95 19.898 23.663 10.307 1.00 0.00 ATOM 730 CE1 TYR A 95 20.523 25.686 12.075 1.00 0.00 ATOM 731 CE2 TYR A 95 18.965 24.636 10.618 1.00 0.00 ATOM 732 CZ TYR A 95 19.286 25.646 11.491 1.00 0.00 ATOM 733 OH TYR A 95 18.353 26.612 11.773 1.00 0.00 ATOM 734 O TYR A 95 20.504 21.198 13.113 1.00 0.00 ATOM 735 C TYR A 95 21.014 20.946 12.016 1.00 0.00 ATOM 736 N LEU A 96 20.416 20.172 11.126 1.00 0.00 ATOM 737 CA LEU A 96 19.114 19.556 11.421 1.00 0.00 ATOM 738 CB LEU A 96 18.552 18.841 10.192 1.00 0.00 ATOM 739 CG LEU A 96 17.855 19.779 9.217 1.00 0.00 ATOM 740 CD1 LEU A 96 17.488 19.064 7.928 1.00 0.00 ATOM 741 CD2 LEU A 96 16.600 20.399 9.875 1.00 0.00 ATOM 742 O LEU A 96 18.168 18.518 13.343 1.00 0.00 ATOM 743 C LEU A 96 19.148 18.596 12.585 1.00 0.00 ATOM 744 N ILE A 97 20.214 17.819 12.722 1.00 0.00 ATOM 745 CA ILE A 97 20.308 16.951 13.895 1.00 0.00 ATOM 746 CB ILE A 97 21.544 16.031 13.839 1.00 0.00 ATOM 747 CG1 ILE A 97 21.398 15.000 12.696 1.00 0.00 ATOM 748 CG2 ILE A 97 21.755 15.310 15.182 1.00 0.00 ATOM 749 CD1 ILE A 97 20.344 13.970 12.925 1.00 0.00 ATOM 750 O ILE A 97 19.594 17.384 16.129 1.00 0.00 ATOM 751 C ILE A 97 20.269 17.772 15.185 1.00 0.00 ATOM 752 N GLY A 98 20.955 18.908 15.207 1.00 0.00 ATOM 753 CA GLY A 98 20.916 19.782 16.381 1.00 0.00 ATOM 754 O GLY A 98 19.071 20.364 17.807 1.00 0.00 ATOM 755 C GLY A 98 19.521 20.296 16.660 1.00 0.00 ATOM 756 N VAL A 99 18.807 20.648 15.601 1.00 0.00 ATOM 757 CA VAL A 99 17.430 21.126 15.757 1.00 0.00 ATOM 758 CB VAL A 99 16.889 21.638 14.396 1.00 0.00 ATOM 759 CG1 VAL A 99 15.388 21.905 14.458 1.00 0.00 ATOM 760 CG2 VAL A 99 17.657 22.909 13.970 1.00 0.00 ATOM 761 O VAL A 99 15.716 20.232 17.198 1.00 0.00 ATOM 762 C VAL A 99 16.526 20.012 16.289 1.00 0.00 ATOM 763 N MET A 100 16.694 18.797 15.771 1.00 0.00 ATOM 764 CA MET A 100 15.874 17.695 16.219 1.00 0.00 ATOM 765 CB MET A 100 16.030 16.498 15.293 1.00 0.00 ATOM 766 CG MET A 100 15.640 16.755 13.805 1.00 0.00 ATOM 767 SD MET A 100 13.891 17.600 13.568 1.00 0.00 ATOM 768 CE MET A 100 12.960 16.117 14.106 1.00 0.00 ATOM 769 O MET A 100 15.333 16.925 18.410 1.00 0.00 ATOM 770 C MET A 100 16.220 17.303 17.666 1.00 0.00 ATOM 771 N GLU A 101 17.499 17.337 18.047 1.00 0.00 ATOM 772 CA GLU A 101 17.891 17.116 19.448 1.00 0.00 ATOM 773 CB GLU A 101 19.408 17.206 19.607 1.00 0.00 ATOM 774 CG GLU A 101 20.184 16.040 18.988 1.00 0.00 ATOM 775 CD GLU A 101 21.668 16.249 18.924 1.00 0.00 ATOM 776 OE1 GLU A 101 22.150 17.379 19.105 1.00 0.00 ATOM 777 OE2 GLU A 101 22.383 15.295 18.614 1.00 0.00 ATOM 778 O GLU A 101 16.701 17.692 21.444 1.00 0.00 ATOM 779 C GLU A 101 17.204 18.120 20.386 1.00 0.00 ATOM 780 N ASN A 102 17.204 19.428 20.045 1.00 0.00 ATOM 781 CA ASN A 102 16.516 20.394 20.854 1.00 0.00 ATOM 782 CB ASN A 102 16.787 21.788 20.327 1.00 0.00 ATOM 783 CG ASN A 102 18.203 22.283 20.620 1.00 0.00 ATOM 784 ND2 ASN A 102 18.628 23.301 19.885 1.00 0.00 ATOM 785 OD1 ASN A 102 18.896 21.763 21.487 1.00 0.00 ATOM 786 O ASN A 102 14.429 20.232 21.964 1.00 0.00 ATOM 787 C ASN A 102 15.020 20.134 20.910 1.00 0.00 ATOM 788 N LEU A 103 14.388 19.777 19.796 1.00 0.00 ATOM 789 CA LEU A 103 12.981 19.491 19.818 1.00 0.00 ATOM 790 CB LEU A 103 12.502 19.180 18.408 1.00 0.00 ATOM 791 CG LEU A 103 11.005 19.012 18.176 1.00 0.00 ATOM 792 CD1 LEU A 103 10.267 20.303 18.525 1.00 0.00 ATOM 793 CD2 LEU A 103 10.739 18.635 16.748 1.00 0.00 ATOM 794 O LEU A 103 11.723 18.177 21.468 1.00 0.00 ATOM 795 C LEU A 103 12.701 18.217 20.695 1.00 0.00 ATOM 796 N ALA A 104 13.526 17.159 20.600 1.00 0.00 ATOM 797 CA ALA A 104 13.379 15.991 21.479 1.00 0.00 ATOM 798 CB ALA A 104 14.461 14.963 21.152 1.00 0.00 ATOM 799 O ALA A 104 12.637 15.940 23.781 1.00 0.00 ATOM 800 C ALA A 104 13.447 16.395 22.956 1.00 0.00 ATOM 801 N ARG A 105 14.420 17.231 23.287 1.00 0.00 ATOM 802 CA ARG A 105 14.573 17.726 24.669 1.00 0.00 ATOM 803 CB ARG A 105 15.796 18.627 24.782 1.00 0.00 ATOM 804 CG ARG A 105 17.111 17.900 24.807 1.00 0.00 ATOM 805 CD ARG A 105 18.238 18.798 25.313 1.00 0.00 ATOM 806 NE ARG A 105 18.822 19.569 24.230 1.00 0.00 ATOM 807 CZ ARG A 105 19.830 19.153 23.460 1.00 0.00 ATOM 808 NH1 ARG A 105 20.403 17.972 23.643 1.00 0.00 ATOM 809 NH2 ARG A 105 20.276 19.935 22.502 1.00 0.00 ATOM 810 O ARG A 105 12.858 18.319 26.219 1.00 0.00 ATOM 811 C ARG A 105 13.382 18.530 25.122 1.00 0.00 ATOM 812 N GLU A 106 12.969 19.487 24.300 1.00 0.00 ATOM 813 CA GLU A 106 11.944 20.452 24.712 1.00 0.00 ATOM 814 CB GLU A 106 11.982 21.687 23.816 1.00 0.00 ATOM 815 CG GLU A 106 13.193 22.571 24.057 1.00 0.00 ATOM 816 CD GLU A 106 13.370 22.940 25.519 1.00 0.00 ATOM 817 OE1 GLU A 106 12.381 23.391 26.138 1.00 0.00 ATOM 818 OE2 GLU A 106 14.493 22.770 26.047 1.00 0.00 ATOM 819 O GLU A 106 9.848 19.886 25.726 1.00 0.00 ATOM 820 C GLU A 106 10.556 19.850 24.703 1.00 0.00 ATOM 821 N GLN A 107 10.166 19.279 23.570 1.00 0.00 ATOM 822 CA GLN A 107 8.792 18.763 23.416 1.00 0.00 ATOM 823 CB GLN A 107 8.361 18.707 21.958 1.00 0.00 ATOM 824 CG GLN A 107 6.851 18.907 21.831 1.00 0.00 ATOM 825 CD GLN A 107 6.208 18.222 20.638 1.00 0.00 ATOM 826 OE1 GLN A 107 6.864 17.898 19.640 1.00 0.00 ATOM 827 NE2 GLN A 107 4.898 18.014 20.727 1.00 0.00 ATOM 828 O GLN A 107 7.436 17.142 24.561 1.00 0.00 ATOM 829 C GLN A 107 8.541 17.401 24.045 1.00 0.00 ATOM 830 N TYR A 108 9.545 16.537 24.027 1.00 0.00 ATOM 831 CA TYR A 108 9.355 15.177 24.481 1.00 0.00 ATOM 832 CB TYR A 108 9.721 14.190 23.356 1.00 0.00 ATOM 833 CG TYR A 108 8.763 14.342 22.212 1.00 0.00 ATOM 834 CD1 TYR A 108 7.504 13.759 22.264 1.00 0.00 ATOM 835 CD2 TYR A 108 9.084 15.121 21.102 1.00 0.00 ATOM 836 CE1 TYR A 108 6.587 13.914 21.232 1.00 0.00 ATOM 837 CE2 TYR A 108 8.172 15.288 20.067 1.00 0.00 ATOM 838 CZ TYR A 108 6.933 14.673 20.137 1.00 0.00 ATOM 839 OH TYR A 108 6.024 14.839 19.107 1.00 0.00 ATOM 840 O TYR A 108 9.989 13.750 26.253 1.00 0.00 ATOM 841 C TYR A 108 10.100 14.861 25.770 1.00 0.00 ATOM 842 N LYS A 109 10.859 15.822 26.304 1.00 0.00 ATOM 843 CA LYS A 109 11.656 15.610 27.521 1.00 0.00 ATOM 844 CB LYS A 109 10.766 15.607 28.783 1.00 0.00 ATOM 845 CG LYS A 109 9.771 16.761 28.852 1.00 0.00 ATOM 846 CD LYS A 109 10.411 18.141 28.768 1.00 0.00 ATOM 847 CE LYS A 109 9.427 19.255 29.147 1.00 0.00 ATOM 848 NZ LYS A 109 9.683 20.532 28.433 1.00 0.00 ATOM 849 O LYS A 109 12.651 13.563 28.334 1.00 0.00 ATOM 850 C LYS A 109 12.492 14.344 27.399 1.00 0.00 ATOM 851 N ALA A 110 13.048 14.164 26.200 1.00 0.00 ATOM 852 CA ALA A 110 13.843 12.993 25.916 1.00 0.00 ATOM 853 CB ALA A 110 14.104 12.919 24.427 1.00 0.00 ATOM 854 O ALA A 110 15.802 14.054 26.758 1.00 0.00 ATOM 855 C ALA A 110 15.162 13.014 26.656 1.00 0.00 ATOM 856 N ARG A 111 15.567 11.848 27.115 1.00 0.00 ATOM 857 CA ARG A 111 16.893 11.628 27.633 1.00 0.00 ATOM 858 CB ARG A 111 16.909 10.610 28.776 1.00 0.00 ATOM 859 CG ARG A 111 16.646 11.165 30.104 1.00 0.00 ATOM 860 CD ARG A 111 15.255 11.679 30.203 1.00 0.00 ATOM 861 NE ARG A 111 14.912 11.713 31.628 1.00 0.00 ATOM 862 CZ ARG A 111 13.789 12.179 32.110 1.00 0.00 ATOM 863 NH1 ARG A 111 12.881 12.766 31.326 1.00 0.00 ATOM 864 NH2 ARG A 111 13.594 12.072 33.404 1.00 0.00 ATOM 865 O ARG A 111 19.014 10.986 26.981 1.00 0.00 ATOM 866 C ARG A 111 17.893 11.086 26.677 1.00 0.00 ATOM 867 N LEU A 112 17.403 10.697 25.526 1.00 0.00 ATOM 868 CA LEU A 112 18.206 9.967 24.573 1.00 0.00 ATOM 869 CB LEU A 112 18.042 8.484 24.870 1.00 0.00 ATOM 870 CG LEU A 112 18.997 7.541 24.178 1.00 0.00 ATOM 871 CD1 LEU A 112 20.380 7.550 24.875 1.00 0.00 ATOM 872 CD2 LEU A 112 18.434 6.135 24.127 1.00 0.00 ATOM 873 O LEU A 112 16.474 10.334 22.970 1.00 0.00 ATOM 874 C LEU A 112 17.679 10.261 23.165 1.00 0.00 ATOM 875 N MET A 113 18.578 10.435 22.210 1.00 0.00 ATOM 876 CA MET A 113 18.215 10.414 20.804 1.00 0.00 ATOM 877 CB MET A 113 18.757 11.635 20.085 1.00 0.00 ATOM 878 CG MET A 113 18.383 11.627 18.615 1.00 0.00 ATOM 879 SD MET A 113 16.639 12.252 18.299 1.00 0.00 ATOM 880 CE MET A 113 17.343 13.812 17.990 1.00 0.00 ATOM 881 O MET A 113 19.956 8.862 20.354 1.00 0.00 ATOM 882 C MET A 113 18.787 9.167 20.170 1.00 0.00 ATOM 883 N LYS A 114 17.930 8.453 19.439 1.00 0.00 ATOM 884 CA LYS A 114 18.328 7.277 18.656 1.00 0.00 ATOM 885 CB LYS A 114 17.305 6.154 18.816 1.00 0.00 ATOM 886 CG LYS A 114 17.111 5.670 20.252 1.00 0.00 ATOM 887 CD LYS A 114 16.211 4.456 20.289 1.00 0.00 ATOM 888 CE LYS A 114 15.913 4.038 21.735 1.00 0.00 ATOM 889 NZ LYS A 114 15.186 2.740 21.791 1.00 0.00 ATOM 890 O LYS A 114 17.607 8.355 16.649 1.00 0.00 ATOM 891 C LYS A 114 18.467 7.660 17.188 1.00 0.00 ATOM 892 N ILE A 115 19.543 7.188 16.556 1.00 0.00 ATOM 893 CA ILE A 115 19.739 7.307 15.109 1.00 0.00 ATOM 894 CB ILE A 115 20.816 8.343 14.733 1.00 0.00 ATOM 895 CG1 ILE A 115 20.381 9.734 15.186 1.00 0.00 ATOM 896 CG2 ILE A 115 21.041 8.342 13.235 1.00 0.00 ATOM 897 CD1 ILE A 115 21.364 10.842 14.866 1.00 0.00 ATOM 898 O ILE A 115 21.151 5.380 15.045 1.00 0.00 ATOM 899 C ILE A 115 20.167 5.947 14.577 1.00 0.00 ATOM 900 N SER A 116 19.426 5.427 13.600 1.00 0.00 ATOM 901 CA SER A 116 19.822 4.239 12.888 1.00 0.00 ATOM 902 CB SER A 116 18.634 3.307 12.698 1.00 0.00 ATOM 903 OG SER A 116 18.154 2.819 13.930 1.00 0.00 ATOM 904 O SER A 116 19.894 5.590 10.918 1.00 0.00 ATOM 905 C SER A 116 20.390 4.661 11.544 1.00 0.00 ATOM 906 N CYS A 117 21.407 3.948 11.085 1.00 0.00 ATOM 907 CA CYS A 117 22.075 4.270 9.833 1.00 0.00 ATOM 908 CB CYS A 117 23.332 5.062 10.181 1.00 0.00 ATOM 909 SG CYS A 117 24.241 5.743 8.816 1.00 0.00 ATOM 910 O CYS A 117 23.068 2.105 9.687 1.00 0.00 ATOM 911 C CYS A 117 22.447 2.999 9.103 1.00 0.00 ATOM 912 N PHE A 118 22.095 2.916 7.834 1.00 0.00 ATOM 913 CA PHE A 118 22.439 1.745 7.039 1.00 0.00 ATOM 914 CB PHE A 118 21.656 1.736 5.728 1.00 0.00 ATOM 915 CG PHE A 118 20.231 1.365 5.907 1.00 0.00 ATOM 916 CD1 PHE A 118 19.867 0.055 6.078 1.00 0.00 ATOM 917 CD2 PHE A 118 19.242 2.330 5.902 1.00 0.00 ATOM 918 CE1 PHE A 118 18.541 -0.293 6.262 1.00 0.00 ATOM 919 CE2 PHE A 118 17.931 1.996 6.055 1.00 0.00 ATOM 920 CZ PHE A 118 17.562 0.694 6.234 1.00 0.00 ATOM 921 O PHE A 118 24.617 2.718 6.691 1.00 0.00 ATOM 922 C PHE A 118 23.934 1.695 6.773 1.00 0.00 ATOM 923 N ASN A 119 24.455 0.481 6.694 1.00 0.00 ATOM 924 CA ASN A 119 25.892 0.301 6.605 1.00 0.00 ATOM 925 CB ASN A 119 26.260 -1.184 6.648 1.00 0.00 ATOM 926 CG ASN A 119 25.852 -1.928 5.408 1.00 0.00 ATOM 927 ND2 ASN A 119 26.803 -2.107 4.498 1.00 0.00 ATOM 928 OD1 ASN A 119 24.705 -2.364 5.275 1.00 0.00 ATOM 929 O ASN A 119 27.678 1.431 5.508 1.00 0.00 ATOM 930 C ASN A 119 26.535 0.984 5.413 1.00 0.00 ATOM 931 N ALA A 120 25.798 1.111 4.307 1.00 0.00 ATOM 932 CA ALA A 120 26.373 1.733 3.125 1.00 0.00 ATOM 933 CB ALA A 120 25.486 1.477 1.912 1.00 0.00 ATOM 934 O ALA A 120 27.381 3.841 2.542 1.00 0.00 ATOM 935 C ALA A 120 26.598 3.236 3.288 1.00 0.00 ATOM 936 N ASN A 121 25.907 3.846 4.247 1.00 0.00 ATOM 937 CA ASN A 121 25.964 5.284 4.433 1.00 0.00 ATOM 938 CB ASN A 121 24.612 5.775 4.957 1.00 0.00 ATOM 939 CG ASN A 121 24.530 7.284 5.075 1.00 0.00 ATOM 940 ND2 ASN A 121 23.439 7.776 5.659 1.00 0.00 ATOM 941 OD1 ASN A 121 25.435 7.997 4.658 1.00 0.00 ATOM 942 O ASN A 121 26.998 6.051 6.471 1.00 0.00 ATOM 943 C ASN A 121 27.149 5.688 5.326 1.00 0.00 ATOM 944 N ALA A 122 28.353 5.602 4.763 1.00 0.00 ATOM 945 CA ALA A 122 29.568 5.939 5.487 1.00 0.00 ATOM 946 CB ALA A 122 30.777 5.713 4.623 1.00 0.00 ATOM 947 O ALA A 122 29.948 7.703 7.067 1.00 0.00 ATOM 948 C ALA A 122 29.533 7.390 5.966 1.00 0.00 ATOM 949 N ALA A 123 29.045 8.285 5.122 1.00 0.00 ATOM 950 CA ALA A 123 29.058 9.681 5.462 1.00 0.00 ATOM 951 CB ALA A 123 28.598 10.509 4.271 1.00 0.00 ATOM 952 O ALA A 123 28.565 10.679 7.608 1.00 0.00 ATOM 953 C ALA A 123 28.186 9.936 6.697 1.00 0.00 ATOM 954 N GLY A 124 27.053 9.241 6.757 1.00 0.00 ATOM 955 CA GLY A 124 26.172 9.304 7.932 1.00 0.00 ATOM 956 O GLY A 124 26.859 9.379 10.208 1.00 0.00 ATOM 957 C GLY A 124 26.843 8.758 9.170 1.00 0.00 ATOM 958 N LEU A 125 27.414 7.573 9.053 1.00 0.00 ATOM 959 CA LEU A 125 28.083 6.953 10.197 1.00 0.00 ATOM 960 CB LEU A 125 28.709 5.617 9.803 1.00 0.00 ATOM 961 CG LEU A 125 27.729 4.497 9.460 1.00 0.00 ATOM 962 CD1 LEU A 125 28.465 3.333 8.834 1.00 0.00 ATOM 963 CD2 LEU A 125 26.916 3.994 10.666 1.00 0.00 ATOM 964 O LEU A 125 29.271 8.013 11.989 1.00 0.00 ATOM 965 C LEU A 125 29.146 7.873 10.768 1.00 0.00 ATOM 966 N LEU A 126 29.949 8.472 9.884 1.00 0.00 ATOM 967 CA LEU A 126 31.014 9.380 10.307 1.00 0.00 ATOM 968 CB LEU A 126 31.994 9.652 9.162 1.00 0.00 ATOM 969 CG LEU A 126 32.744 8.394 8.694 1.00 0.00 ATOM 970 CD1 LEU A 126 33.465 8.742 7.391 1.00 0.00 ATOM 971 CD2 LEU A 126 33.691 7.872 9.782 1.00 0.00 ATOM 972 O LEU A 126 31.020 11.148 11.925 1.00 0.00 ATOM 973 C LEU A 126 30.493 10.678 10.915 1.00 0.00 ATOM 974 N LEU A 127 29.453 11.243 10.327 1.00 0.00 ATOM 975 CA LEU A 127 28.857 12.475 10.877 1.00 0.00 ATOM 976 CB LEU A 127 27.766 13.011 9.942 1.00 0.00 ATOM 977 CG LEU A 127 26.927 14.163 10.519 1.00 0.00 ATOM 978 CD1 LEU A 127 27.778 15.386 10.799 1.00 0.00 ATOM 979 CD2 LEU A 127 25.735 14.478 9.633 1.00 0.00 ATOM 980 O LEU A 127 28.517 12.956 13.221 1.00 0.00 ATOM 981 C LEU A 127 28.257 12.235 12.264 1.00 0.00 ATOM 982 N TYR A 128 27.431 11.208 12.386 1.00 0.00 ATOM 983 CA TYR A 128 26.815 10.934 13.681 1.00 0.00 ATOM 984 CB TYR A 128 25.802 9.786 13.599 1.00 0.00 ATOM 985 CG TYR A 128 24.739 9.944 12.541 1.00 0.00 ATOM 986 CD1 TYR A 128 24.111 11.155 12.325 1.00 0.00 ATOM 987 CD2 TYR A 128 24.367 8.850 11.768 1.00 0.00 ATOM 988 CE1 TYR A 128 23.122 11.265 11.312 1.00 0.00 ATOM 989 CE2 TYR A 128 23.422 8.936 10.803 1.00 0.00 ATOM 990 CZ TYR A 128 22.787 10.144 10.585 1.00 0.00 ATOM 991 OH TYR A 128 21.806 10.215 9.619 1.00 0.00 ATOM 992 O TYR A 128 27.705 11.087 15.893 1.00 0.00 ATOM 993 C TYR A 128 27.867 10.670 14.754 1.00 0.00 ATOM 994 N THR A 129 28.980 10.037 14.376 1.00 0.00 ATOM 995 CA THR A 129 30.086 9.825 15.291 1.00 0.00 ATOM 996 CB THR A 129 31.156 8.897 14.661 1.00 0.00 ATOM 997 CG2 THR A 129 32.336 8.734 15.579 1.00 0.00 ATOM 998 OG1 THR A 129 30.557 7.625 14.414 1.00 0.00 ATOM 999 O THR A 129 30.848 11.405 16.929 1.00 0.00 ATOM 1000 C THR A 129 30.643 11.185 15.734 1.00 0.00 ATOM 1001 N GLN A 130 30.882 12.082 14.783 1.00 0.00 ATOM 1002 CA GLN A 130 31.369 13.430 15.118 1.00 0.00 ATOM 1003 CB GLN A 130 31.523 14.269 13.845 1.00 0.00 ATOM 1004 CG GLN A 130 32.670 13.865 12.939 1.00 0.00 ATOM 1005 CD GLN A 130 32.612 14.525 11.564 1.00 0.00 ATOM 1006 OE1 GLN A 130 31.610 15.144 11.192 1.00 0.00 ATOM 1007 NE2 GLN A 130 33.691 14.377 10.790 1.00 0.00 ATOM 1008 O GLN A 130 30.866 14.939 16.952 1.00 0.00 ATOM 1009 C GLN A 130 30.423 14.142 16.096 1.00 0.00 ATOM 1010 N LEU A 131 29.134 13.854 15.982 1.00 0.00 ATOM 1011 CA LEU A 131 28.132 14.503 16.842 1.00 0.00 ATOM 1012 CB LEU A 131 26.797 14.619 16.095 1.00 0.00 ATOM 1013 CG LEU A 131 26.835 15.440 14.811 1.00 0.00 ATOM 1014 CD1 LEU A 131 25.446 15.522 14.193 1.00 0.00 ATOM 1015 CD2 LEU A 131 27.420 16.813 15.048 1.00 0.00 ATOM 1016 O LEU A 131 27.055 14.216 18.972 1.00 0.00 ATOM 1017 C LEU A 131 27.929 13.819 18.195 1.00 0.00 ATOM 1018 N GLY A 132 28.726 12.794 18.479 1.00 0.00 ATOM 1019 CA GLY A 132 28.707 12.134 19.777 1.00 0.00 ATOM 1020 O GLY A 132 27.588 10.461 20.997 1.00 0.00 ATOM 1021 C GLY A 132 27.807 10.936 19.902 1.00 0.00 ATOM 1022 N TYR A 133 27.278 10.442 18.781 1.00 0.00 ATOM 1023 CA TYR A 133 26.488 9.223 18.776 1.00 0.00 ATOM 1024 CB TYR A 133 25.579 9.133 17.530 1.00 0.00 ATOM 1025 CG TYR A 133 24.447 10.135 17.610 1.00 0.00 ATOM 1026 CD1 TYR A 133 23.174 9.749 18.059 1.00 0.00 ATOM 1027 CD2 TYR A 133 24.665 11.470 17.318 1.00 0.00 ATOM 1028 CE1 TYR A 133 22.170 10.663 18.215 1.00 0.00 ATOM 1029 CE2 TYR A 133 23.636 12.392 17.468 1.00 0.00 ATOM 1030 CZ TYR A 133 22.403 11.971 17.921 1.00 0.00 ATOM 1031 OH TYR A 133 21.392 12.879 18.107 1.00 0.00 ATOM 1032 O TYR A 133 28.542 8.078 18.261 1.00 0.00 ATOM 1033 C TYR A 133 27.438 8.035 18.838 1.00 0.00 ATOM 1034 N GLN A 134 27.000 7.006 19.550 1.00 0.00 ATOM 1035 CA GLN A 134 27.790 5.790 19.702 1.00 0.00 ATOM 1036 CB GLN A 134 28.131 5.538 21.160 1.00 0.00 ATOM 1037 CG GLN A 134 29.196 6.408 21.710 1.00 0.00 ATOM 1038 CD GLN A 134 29.399 6.122 23.162 1.00 0.00 ATOM 1039 OE1 GLN A 134 29.160 6.988 23.989 1.00 0.00 ATOM 1040 NE2 GLN A 134 29.799 4.885 23.498 1.00 0.00 ATOM 1041 O GLN A 134 25.786 4.564 19.399 1.00 0.00 ATOM 1042 C GLN A 134 26.982 4.620 19.201 1.00 0.00 ATOM 1043 N PRO A 135 27.644 3.643 18.599 1.00 0.00 ATOM 1044 CA PRO A 135 26.922 2.487 18.128 1.00 0.00 ATOM 1045 CB PRO A 135 27.922 1.831 17.171 1.00 0.00 ATOM 1046 CG PRO A 135 29.269 2.130 17.758 1.00 0.00 ATOM 1047 CD PRO A 135 29.093 3.536 18.343 1.00 0.00 ATOM 1048 O PRO A 135 27.367 1.335 20.164 1.00 0.00 ATOM 1049 C PRO A 135 26.547 1.565 19.285 1.00 0.00 ATOM 1050 N ARG A 136 25.322 1.046 19.269 1.00 0.00 ATOM 1051 CA ARG A 136 24.835 0.155 20.307 1.00 0.00 ATOM 1052 CB ARG A 136 23.572 0.753 20.939 1.00 0.00 ATOM 1053 CG ARG A 136 23.848 2.075 21.636 1.00 0.00 ATOM 1054 CD ARG A 136 24.878 1.955 22.753 1.00 0.00 ATOM 1055 NE ARG A 136 25.113 3.238 23.399 1.00 0.00 ATOM 1056 CZ ARG A 136 26.062 3.443 24.298 1.00 0.00 ATOM 1057 NH1 ARG A 136 26.841 2.438 24.673 1.00 0.00 ATOM 1058 NH2 ARG A 136 26.236 4.642 24.833 1.00 0.00 ATOM 1059 O ARG A 136 24.847 -2.206 20.516 1.00 0.00 ATOM 1060 C ARG A 136 24.561 -1.245 19.813 1.00 0.00 ATOM 1061 N ALA A 137 24.009 -1.374 18.611 1.00 0.00 ATOM 1062 CA ALA A 137 23.632 -2.680 18.090 1.00 0.00 ATOM 1063 CB ALA A 137 22.279 -3.127 18.594 1.00 0.00 ATOM 1064 O ALA A 137 23.650 -1.550 16.000 1.00 0.00 ATOM 1065 C ALA A 137 23.628 -2.620 16.590 1.00 0.00 ATOM 1066 N ILE A 138 23.616 -3.792 15.980 1.00 0.00 ATOM 1067 CA ILE A 138 23.512 -3.959 14.538 1.00 0.00 ATOM 1068 CB ILE A 138 24.813 -4.509 13.948 1.00 0.00 ATOM 1069 CG1 ILE A 138 25.989 -3.603 14.335 1.00 0.00 ATOM 1070 CG2 ILE A 138 24.655 -4.687 12.418 1.00 0.00 ATOM 1071 CD1 ILE A 138 27.290 -3.988 13.668 1.00 0.00 ATOM 1072 O ILE A 138 22.331 -6.023 14.752 1.00 0.00 ATOM 1073 C ILE A 138 22.355 -4.899 14.252 1.00 0.00 ATOM 1074 N ALA A 139 21.398 -4.435 13.446 1.00 0.00 ATOM 1075 CA ALA A 139 20.222 -5.198 13.097 1.00 0.00 ATOM 1076 CB ALA A 139 18.971 -4.375 13.363 1.00 0.00 ATOM 1077 O ALA A 139 20.967 -4.894 10.851 1.00 0.00 ATOM 1078 C ALA A 139 20.300 -5.559 11.628 1.00 0.00 ATOM 1079 N GLU A 140 19.613 -6.622 11.236 1.00 0.00 ATOM 1080 CA GLU A 140 19.550 -7.032 9.844 1.00 0.00 ATOM 1081 CB GLU A 140 19.505 -8.561 9.757 1.00 0.00 ATOM 1082 CG GLU A 140 19.391 -9.058 8.330 1.00 0.00 ATOM 1083 CD GLU A 140 19.564 -10.544 8.222 1.00 0.00 ATOM 1084 OE1 GLU A 140 18.554 -11.257 8.221 1.00 0.00 ATOM 1085 OE2 GLU A 140 20.723 -10.996 8.184 1.00 0.00 ATOM 1086 O GLU A 140 17.224 -6.447 9.714 1.00 0.00 ATOM 1087 C GLU A 140 18.324 -6.429 9.168 1.00 0.00 ATOM 1088 N ARG A 141 18.526 -5.920 7.961 1.00 0.00 ATOM 1089 CA ARG A 141 17.419 -5.478 7.117 1.00 0.00 ATOM 1090 CB ARG A 141 17.268 -3.938 7.128 1.00 0.00 ATOM 1091 CG ARG A 141 17.011 -3.294 8.512 1.00 0.00 ATOM 1092 CD ARG A 141 15.586 -3.550 8.980 1.00 0.00 ATOM 1093 NE ARG A 141 15.292 -2.890 10.255 1.00 0.00 ATOM 1094 CZ ARG A 141 15.421 -3.467 11.451 1.00 0.00 ATOM 1095 NH1 ARG A 141 15.836 -4.713 11.588 1.00 0.00 ATOM 1096 NH2 ARG A 141 15.126 -2.781 12.545 1.00 0.00 ATOM 1097 O ARG A 141 18.694 -6.555 5.410 1.00 0.00 ATOM 1098 C ARG A 141 17.646 -5.992 5.702 1.00 0.00 ATOM 1099 N HIS A 142 16.650 -5.798 4.849 1.00 0.00 ATOM 1100 CA HIS A 142 16.757 -6.217 3.451 1.00 0.00 ATOM 1101 CB HIS A 142 15.796 -7.362 3.142 1.00 0.00 ATOM 1102 CG HIS A 142 16.189 -8.654 3.758 1.00 0.00 ATOM 1103 CD2 HIS A 142 16.802 -9.737 3.225 1.00 0.00 ATOM 1104 ND1 HIS A 142 15.949 -8.953 5.082 1.00 0.00 ATOM 1105 CE1 HIS A 142 16.397 -10.170 5.335 1.00 0.00 ATOM 1106 NE2 HIS A 142 16.923 -10.665 4.228 1.00 0.00 ATOM 1107 O HIS A 142 15.453 -4.360 2.764 1.00 0.00 ATOM 1108 C HIS A 142 16.442 -5.047 2.557 1.00 0.00 ATOM 1109 N ASP A 143 17.282 -4.848 1.556 1.00 0.00 ATOM 1110 CA ASP A 143 17.126 -3.754 0.620 1.00 0.00 ATOM 1111 CB ASP A 143 18.502 -3.267 0.122 1.00 0.00 ATOM 1112 CG ASP A 143 19.139 -4.141 -0.952 1.00 0.00 ATOM 1113 OD1 ASP A 143 18.514 -5.073 -1.508 1.00 0.00 ATOM 1114 OD2 ASP A 143 20.312 -3.850 -1.258 1.00 0.00 ATOM 1115 O ASP A 143 15.615 -5.266 -0.486 1.00 0.00 ATOM 1116 C ASP A 143 16.125 -4.147 -0.476 1.00 0.00 ATOM 1117 N PRO A 144 15.792 -3.226 -1.367 1.00 0.00 ATOM 1118 CA PRO A 144 14.775 -3.543 -2.379 1.00 0.00 ATOM 1119 CB PRO A 144 14.625 -2.221 -3.125 1.00 0.00 ATOM 1120 CG PRO A 144 15.039 -1.182 -2.128 1.00 0.00 ATOM 1121 CD PRO A 144 16.206 -1.813 -1.443 1.00 0.00 ATOM 1122 O PRO A 144 14.196 -5.227 -3.970 1.00 0.00 ATOM 1123 C PRO A 144 15.112 -4.681 -3.333 1.00 0.00 ATOM 1124 N ASP A 145 16.389 -5.032 -3.448 1.00 0.00 ATOM 1125 CA ASP A 145 16.808 -6.186 -4.259 1.00 0.00 ATOM 1126 CB ASP A 145 18.180 -5.900 -4.854 1.00 0.00 ATOM 1127 CG ASP A 145 18.166 -4.698 -5.777 1.00 0.00 ATOM 1128 OD1 ASP A 145 17.503 -4.801 -6.825 1.00 0.00 ATOM 1129 OD2 ASP A 145 18.803 -3.667 -5.475 1.00 0.00 ATOM 1130 O ASP A 145 17.274 -8.505 -3.902 1.00 0.00 ATOM 1131 C ASP A 145 16.828 -7.472 -3.427 1.00 0.00 ATOM 1132 N GLY A 146 16.339 -7.417 -2.195 1.00 0.00 ATOM 1133 CA GLY A 146 16.342 -8.565 -1.316 1.00 0.00 ATOM 1134 O GLY A 146 17.882 -9.980 -0.172 1.00 0.00 ATOM 1135 C GLY A 146 17.701 -8.892 -0.724 1.00 0.00 ATOM 1136 N ARG A 147 18.672 -7.983 -0.841 1.00 0.00 ATOM 1137 CA ARG A 147 19.999 -8.211 -0.287 1.00 0.00 ATOM 1138 CB ARG A 147 21.046 -7.453 -1.080 1.00 0.00 ATOM 1139 CG ARG A 147 21.082 -7.889 -2.529 1.00 0.00 ATOM 1140 CD ARG A 147 22.195 -7.191 -3.300 1.00 0.00 ATOM 1141 NE ARG A 147 22.274 -7.752 -4.640 1.00 0.00 ATOM 1142 CZ ARG A 147 21.961 -7.120 -5.771 1.00 0.00 ATOM 1143 NH1 ARG A 147 21.603 -5.845 -5.795 1.00 0.00 ATOM 1144 NH2 ARG A 147 22.062 -7.787 -6.912 1.00 0.00 ATOM 1145 O ARG A 147 19.424 -6.805 1.576 1.00 0.00 ATOM 1146 C ARG A 147 20.047 -7.788 1.171 1.00 0.00 ATOM 1147 N ARG A 148 20.766 -8.569 1.964 1.00 0.00 ATOM 1148 CA ARG A 148 20.943 -8.305 3.381 1.00 0.00 ATOM 1149 CB ARG A 148 21.588 -9.515 4.068 1.00 0.00 ATOM 1150 CG ARG A 148 20.636 -10.695 4.171 1.00 0.00 ATOM 1151 CD ARG A 148 21.341 -11.995 4.528 1.00 0.00 ATOM 1152 NE ARG A 148 21.717 -12.088 5.943 1.00 0.00 ATOM 1153 CZ ARG A 148 22.972 -12.143 6.392 1.00 0.00 ATOM 1154 NH1 ARG A 148 23.192 -12.261 7.697 1.00 0.00 ATOM 1155 NH2 ARG A 148 24.006 -12.080 5.556 1.00 0.00 ATOM 1156 O ARG A 148 22.884 -6.952 2.953 1.00 0.00 ATOM 1157 C ARG A 148 21.826 -7.083 3.574 1.00 0.00 ATOM 1158 N VAL A 149 21.369 -6.187 4.439 1.00 0.00 ATOM 1159 CA VAL A 149 22.141 -5.028 4.830 1.00 0.00 ATOM 1160 CB VAL A 149 21.609 -3.726 4.196 1.00 0.00 ATOM 1161 CG1 VAL A 149 21.778 -3.782 2.684 1.00 0.00 ATOM 1162 CG2 VAL A 149 20.169 -3.436 4.588 1.00 0.00 ATOM 1163 O VAL A 149 21.325 -5.600 7.039 1.00 0.00 ATOM 1164 C VAL A 149 22.131 -4.951 6.360 1.00 0.00 ATOM 1165 N ALA A 150 23.075 -4.188 6.903 1.00 0.00 ATOM 1166 CA ALA A 150 23.224 -4.026 8.341 1.00 0.00 ATOM 1167 CB ALA A 150 24.660 -4.244 8.726 1.00 0.00 ATOM 1168 O ALA A 150 23.211 -1.647 8.155 1.00 0.00 ATOM 1169 C ALA A 150 22.769 -2.627 8.727 1.00 0.00 ATOM 1170 N LEU A 151 21.892 -2.548 9.704 1.00 0.00 ATOM 1171 CA LEU A 151 21.424 -1.274 10.223 1.00 0.00 ATOM 1172 CB LEU A 151 19.913 -1.310 10.399 1.00 0.00 ATOM 1173 CG LEU A 151 19.278 0.004 10.872 1.00 0.00 ATOM 1174 CD1 LEU A 151 19.300 1.059 9.781 1.00 0.00 ATOM 1175 CD2 LEU A 151 17.892 -0.302 11.323 1.00 0.00 ATOM 1176 O LEU A 151 21.945 -1.751 12.524 1.00 0.00 ATOM 1177 C LEU A 151 22.143 -1.005 11.549 1.00 0.00 ATOM 1178 N ILE A 152 22.977 0.036 11.580 1.00 0.00 ATOM 1179 CA ILE A 152 23.742 0.348 12.793 1.00 0.00 ATOM 1180 CB ILE A 152 25.071 0.990 12.424 1.00 0.00 ATOM 1181 CG1 ILE A 152 25.894 0.031 11.548 1.00 0.00 ATOM 1182 CG2 ILE A 152 25.866 1.350 13.668 1.00 0.00 ATOM 1183 CD1 ILE A 152 25.866 0.327 10.148 1.00 0.00 ATOM 1184 O ILE A 152 22.562 2.374 13.233 1.00 0.00 ATOM 1185 C ILE A 152 22.916 1.279 13.655 1.00 0.00 ATOM 1186 N GLN A 153 22.555 0.782 14.833 1.00 0.00 ATOM 1187 CA GLN A 153 21.656 1.479 15.744 1.00 0.00 ATOM 1188 CB GLN A 153 20.716 0.482 16.417 1.00 0.00 ATOM 1189 CG GLN A 153 19.823 -0.216 15.378 1.00 0.00 ATOM 1190 CD GLN A 153 19.100 -1.442 15.879 1.00 0.00 ATOM 1191 OE1 GLN A 153 19.699 -2.308 16.497 1.00 0.00 ATOM 1192 NE2 GLN A 153 17.802 -1.552 15.550 1.00 0.00 ATOM 1193 O GLN A 153 23.261 1.583 17.526 1.00 0.00 ATOM 1194 C GLN A 153 22.503 2.217 16.765 1.00 0.00 ATOM 1195 N MET A 154 22.414 3.545 16.733 1.00 0.00 ATOM 1196 CA MET A 154 23.252 4.419 17.530 1.00 0.00 ATOM 1197 CB MET A 154 24.005 5.363 16.601 1.00 0.00 ATOM 1198 CG MET A 154 24.705 4.684 15.441 1.00 0.00 ATOM 1199 SD MET A 154 25.669 5.873 14.267 1.00 0.00 ATOM 1200 CE MET A 154 27.093 6.312 15.376 1.00 0.00 ATOM 1201 O MET A 154 21.196 5.427 18.261 1.00 0.00 ATOM 1202 C MET A 154 22.404 5.258 18.477 1.00 0.00 ATOM 1203 N ASP A 155 23.022 5.828 19.509 1.00 0.00 ATOM 1204 CA ASP A 155 22.295 6.750 20.371 1.00 0.00 ATOM 1205 CB ASP A 155 21.367 5.991 21.363 1.00 0.00 ATOM 1206 CG ASP A 155 22.104 5.134 22.375 1.00 0.00 ATOM 1207 OD1 ASP A 155 23.305 5.336 22.578 1.00 0.00 ATOM 1208 OD2 ASP A 155 21.431 4.264 22.977 1.00 0.00 ATOM 1209 O ASP A 155 24.479 7.649 20.909 1.00 0.00 ATOM 1210 C ASP A 155 23.251 7.744 21.030 1.00 0.00 ATOM 1211 N LYS A 156 22.641 8.733 21.677 1.00 0.00 ATOM 1212 CA LYS A 156 23.360 9.808 22.340 1.00 0.00 ATOM 1213 CB LYS A 156 23.615 10.955 21.356 1.00 0.00 ATOM 1214 CG LYS A 156 24.358 12.187 21.886 1.00 0.00 ATOM 1215 CD LYS A 156 24.271 13.289 20.813 1.00 0.00 ATOM 1216 CE LYS A 156 24.751 14.622 21.265 1.00 0.00 ATOM 1217 NZ LYS A 156 24.824 15.456 20.058 1.00 0.00 ATOM 1218 O LYS A 156 21.298 10.554 23.269 1.00 0.00 ATOM 1219 C LYS A 156 22.487 10.324 23.475 1.00 0.00 ATOM 1220 N PRO A 157 23.071 10.534 24.676 1.00 0.00 ATOM 1221 CA PRO A 157 22.285 11.132 25.747 1.00 0.00 ATOM 1222 CB PRO A 157 23.185 11.007 26.985 1.00 0.00 ATOM 1223 CG PRO A 157 24.548 10.819 26.456 1.00 0.00 ATOM 1224 CD PRO A 157 24.458 10.251 25.084 1.00 0.00 ATOM 1225 O PRO A 157 22.769 13.300 24.859 1.00 0.00 ATOM 1226 C PRO A 157 21.961 12.580 25.467 1.00 0.00 ATOM 1227 N LEU A 158 20.781 12.988 25.942 1.00 0.00 ATOM 1228 CA LEU A 158 20.326 14.376 25.913 1.00 0.00 ATOM 1229 CB LEU A 158 19.044 14.529 25.094 1.00 0.00 ATOM 1230 CG LEU A 158 19.024 13.965 23.676 1.00 0.00 ATOM 1231 CD1 LEU A 158 17.633 14.056 23.134 1.00 0.00 ATOM 1232 CD2 LEU A 158 20.025 14.637 22.787 1.00 0.00 ATOM 1233 O LEU A 158 19.258 14.138 28.049 1.00 0.00 ATOM 1234 C LEU A 158 20.024 14.784 27.353 1.00 0.00 ATOM 1235 N GLU A 159 20.626 15.856 27.794 1.00 0.00 ATOM 1236 CA GLU A 159 20.349 16.344 29.137 1.00 0.00 ATOM 1237 CB GLU A 159 21.643 16.834 29.784 1.00 0.00 ATOM 1238 CG GLU A 159 22.594 15.679 30.144 1.00 0.00 ATOM 1239 CD GLU A 159 23.727 16.081 31.080 1.00 0.00 ATOM 1240 OE1 GLU A 159 23.888 17.291 31.358 1.00 0.00 ATOM 1241 OE2 GLU A 159 24.457 15.169 31.540 1.00 0.00 ATOM 1242 O GLU A 159 18.774 17.799 28.050 1.00 0.00 ATOM 1243 C GLU A 159 19.227 17.383 29.102 1.00 0.00 ATOM 1244 N PRO A 160 18.716 17.761 30.266 1.00 0.00 ATOM 1245 CA PRO A 160 17.623 18.718 30.274 1.00 0.00 ATOM 1246 CB PRO A 160 17.349 18.915 31.768 1.00 0.00 ATOM 1247 CG PRO A 160 17.858 17.687 32.408 1.00 0.00 ATOM 1248 CD PRO A 160 19.065 17.315 31.623 1.00 0.00 ATOM 1249 O PRO A 160 17.133 20.658 29.008 1.00 0.00 ATOM 1250 C PRO A 160 17.992 20.036 29.603 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1296108806.pdb -s /var/tmp/to_scwrl_1296108806.seq -o /var/tmp/from_scwrl_1296108806.pdb > /var/tmp/scwrl_1296108806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296108806.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 158 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -70.938 # GDT_score(maxd=8.000,maxw=2.900)= -73.472 # GDT_score(maxd=8.000,maxw=3.200)= -70.342 # GDT_score(maxd=8.000,maxw=3.500)= -66.881 # GDT_score(maxd=10.000,maxw=3.800)= -69.560 # GDT_score(maxd=10.000,maxw=4.000)= -67.297 # GDT_score(maxd=10.000,maxw=4.200)= -65.069 # GDT_score(maxd=12.000,maxw=4.300)= -68.773 # GDT_score(maxd=12.000,maxw=4.500)= -66.603 # GDT_score(maxd=12.000,maxw=4.700)= -64.491 # GDT_score(maxd=14.000,maxw=5.200)= -63.257 # GDT_score(maxd=14.000,maxw=5.500)= -60.380 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2038340568.pdb -s /var/tmp/to_scwrl_2038340568.seq -o /var/tmp/from_scwrl_2038340568.pdb > /var/tmp/scwrl_2038340568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2038340568.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 155 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -72.031 # GDT_score(maxd=8.000,maxw=2.900)= -74.885 # GDT_score(maxd=8.000,maxw=3.200)= -71.439 # GDT_score(maxd=8.000,maxw=3.500)= -68.103 # GDT_score(maxd=10.000,maxw=3.800)= -70.951 # GDT_score(maxd=10.000,maxw=4.000)= -68.863 # GDT_score(maxd=10.000,maxw=4.200)= -66.823 # GDT_score(maxd=12.000,maxw=4.300)= -70.412 # GDT_score(maxd=12.000,maxw=4.500)= -68.409 # GDT_score(maxd=12.000,maxw=4.700)= -66.373 # GDT_score(maxd=14.000,maxw=5.200)= -65.173 # GDT_score(maxd=14.000,maxw=5.500)= -62.310 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_87780142.pdb -s /var/tmp/to_scwrl_87780142.seq -o /var/tmp/from_scwrl_87780142.pdb > /var/tmp/scwrl_87780142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_87780142.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 158 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -59.844 # GDT_score(maxd=8.000,maxw=2.900)= -61.494 # GDT_score(maxd=8.000,maxw=3.200)= -58.307 # GDT_score(maxd=8.000,maxw=3.500)= -55.252 # GDT_score(maxd=10.000,maxw=3.800)= -58.399 # GDT_score(maxd=10.000,maxw=4.000)= -56.419 # GDT_score(maxd=10.000,maxw=4.200)= -54.479 # GDT_score(maxd=12.000,maxw=4.300)= -58.361 # GDT_score(maxd=12.000,maxw=4.500)= -56.446 # GDT_score(maxd=12.000,maxw=4.700)= -54.600 # GDT_score(maxd=14.000,maxw=5.200)= -54.018 # GDT_score(maxd=14.000,maxw=5.500)= -51.604 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_589610161.pdb -s /var/tmp/to_scwrl_589610161.seq -o /var/tmp/from_scwrl_589610161.pdb > /var/tmp/scwrl_589610161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_589610161.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 152 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -60.938 # GDT_score(maxd=8.000,maxw=2.900)= -62.860 # GDT_score(maxd=8.000,maxw=3.200)= -59.403 # GDT_score(maxd=8.000,maxw=3.500)= -56.097 # GDT_score(maxd=10.000,maxw=3.800)= -59.299 # GDT_score(maxd=10.000,maxw=4.000)= -57.188 # GDT_score(maxd=10.000,maxw=4.200)= -55.160 # GDT_score(maxd=12.000,maxw=4.300)= -59.069 # GDT_score(maxd=12.000,maxw=4.500)= -57.084 # GDT_score(maxd=12.000,maxw=4.700)= -55.211 # GDT_score(maxd=14.000,maxw=5.200)= -54.551 # GDT_score(maxd=14.000,maxw=5.500)= -52.032 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2048437630.pdb -s /var/tmp/to_scwrl_2048437630.seq -o /var/tmp/from_scwrl_2048437630.pdb > /var/tmp/scwrl_2048437630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048437630.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 T0374.try1-opt2.pdb looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -74.062 # GDT_score(maxd=8.000,maxw=2.900)= -76.832 # GDT_score(maxd=8.000,maxw=3.200)= -73.629 # GDT_score(maxd=8.000,maxw=3.500)= -70.448 # GDT_score(maxd=10.000,maxw=3.800)= -73.030 # GDT_score(maxd=10.000,maxw=4.000)= -70.932 # GDT_score(maxd=10.000,maxw=4.200)= -68.797 # GDT_score(maxd=12.000,maxw=4.300)= -72.325 # GDT_score(maxd=12.000,maxw=4.500)= -70.227 # GDT_score(maxd=12.000,maxw=4.700)= -68.133 # GDT_score(maxd=14.000,maxw=5.200)= -66.777 # GDT_score(maxd=14.000,maxw=5.500)= -63.824 # command:# Prefix for output files set to # command:EXPDTA T0374.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0374.try1-opt2.pdb ATOM 1 N MET A 1 23.102 31.970 1.947 1.00 0.00 ATOM 2 CA MET A 1 23.856 32.662 3.033 1.00 0.00 ATOM 3 CB MET A 1 24.166 34.096 2.630 1.00 0.00 ATOM 4 CG MET A 1 25.575 34.532 3.029 1.00 0.00 ATOM 5 SD MET A 1 25.733 36.428 2.521 1.00 0.00 ATOM 6 CE MET A 1 26.635 36.272 0.570 1.00 0.00 ATOM 7 O MET A 1 23.607 32.115 5.374 1.00 0.00 ATOM 8 C MET A 1 23.094 32.629 4.364 1.00 0.00 ATOM 9 N GLN A 2 21.748 32.738 4.341 1.00 0.00 ATOM 10 CA GLN A 2 20.917 32.455 5.521 1.00 0.00 ATOM 11 CB GLN A 2 19.688 33.366 5.541 1.00 0.00 ATOM 12 CG GLN A 2 20.014 34.849 5.621 1.00 0.00 ATOM 13 CD GLN A 2 20.687 35.226 6.927 1.00 0.00 ATOM 14 OE1 GLN A 2 20.217 34.864 8.006 1.00 0.00 ATOM 15 NE2 GLN A 2 21.791 35.958 6.831 1.00 0.00 ATOM 16 O GLN A 2 20.071 30.531 4.413 1.00 0.00 ATOM 17 C GLN A 2 20.465 31.009 5.471 1.00 0.00 ATOM 18 N LEU A 3 20.518 30.319 6.602 1.00 0.00 ATOM 19 CA LEU A 3 19.857 29.033 6.751 1.00 0.00 ATOM 20 CB LEU A 3 20.816 28.004 7.355 1.00 0.00 ATOM 21 CG LEU A 3 22.089 27.716 6.556 1.00 0.00 ATOM 22 CD1 LEU A 3 22.987 26.747 7.310 1.00 0.00 ATOM 23 CD2 LEU A 3 21.751 27.101 5.207 1.00 0.00 ATOM 24 O LEU A 3 18.584 30.103 8.505 1.00 0.00 ATOM 25 C LEU A 3 18.626 29.242 7.625 1.00 0.00 ATOM 26 N SER A 4 17.613 28.417 7.323 1.00 0.00 ATOM 27 CA SER A 4 16.360 28.453 8.109 1.00 0.00 ATOM 28 CB SER A 4 15.358 29.479 7.575 1.00 0.00 ATOM 29 OG SER A 4 14.172 29.486 8.350 1.00 0.00 ATOM 30 O SER A 4 15.766 26.354 7.124 1.00 0.00 ATOM 31 C SER A 4 15.699 27.084 8.112 1.00 0.00 ATOM 32 N HIS A 5 15.007 26.791 9.213 1.00 0.00 ATOM 33 CA HIS A 5 14.294 25.531 9.325 1.00 0.00 ATOM 34 CB HIS A 5 14.851 24.715 10.496 1.00 0.00 ATOM 35 CG HIS A 5 13.916 23.659 11.002 1.00 0.00 ATOM 36 CD2 HIS A 5 13.886 22.320 10.796 1.00 0.00 ATOM 37 ND1 HIS A 5 12.860 23.939 11.842 1.00 0.00 ATOM 38 CE1 HIS A 5 12.221 22.819 12.135 1.00 0.00 ATOM 39 NE2 HIS A 5 12.824 21.823 11.511 1.00 0.00 ATOM 40 O HIS A 5 12.561 26.766 10.432 1.00 0.00 ATOM 41 C HIS A 5 12.850 25.820 9.693 1.00 0.00 ATOM 42 N ARG A 6 12.092 24.978 8.976 1.00 0.00 ATOM 43 CA ARG A 6 10.660 25.084 9.234 1.00 0.00 ATOM 44 CB ARG A 6 9.968 25.643 8.008 1.00 0.00 ATOM 45 CG ARG A 6 10.167 27.136 7.832 1.00 0.00 ATOM 46 CD ARG A 6 9.559 27.695 6.573 1.00 0.00 ATOM 47 NE ARG A 6 10.247 27.234 5.399 1.00 0.00 ATOM 48 CZ ARG A 6 9.873 27.485 4.170 1.00 0.00 ATOM 49 NH1 ARG A 6 8.685 28.024 3.919 1.00 0.00 ATOM 50 NH2 ARG A 6 10.679 27.200 3.142 1.00 0.00 ATOM 51 O ARG A 6 10.349 22.754 8.771 1.00 0.00 ATOM 52 C ARG A 6 10.038 23.717 9.475 1.00 0.00 ATOM 53 N PRO A 7 9.155 23.631 10.466 1.00 0.00 ATOM 54 CA PRO A 7 8.476 22.373 10.763 1.00 0.00 ATOM 55 CB PRO A 7 7.828 22.619 12.126 1.00 0.00 ATOM 56 CG PRO A 7 7.642 24.097 12.193 1.00 0.00 ATOM 57 CD PRO A 7 8.785 24.695 11.421 1.00 0.00 ATOM 58 O PRO A 7 6.818 23.061 9.165 1.00 0.00 ATOM 59 C PRO A 7 7.491 22.133 9.616 1.00 0.00 ATOM 60 N ALA A 8 7.427 20.885 9.152 1.00 0.00 ATOM 61 CA ALA A 8 6.529 20.543 8.055 1.00 0.00 ATOM 62 CB ALA A 8 6.942 19.223 7.421 1.00 0.00 ATOM 63 O ALA A 8 4.803 19.784 9.542 1.00 0.00 ATOM 64 C ALA A 8 5.081 20.377 8.504 1.00 0.00 ATOM 65 N GLU A 9 4.156 20.872 7.688 1.00 0.00 ATOM 66 CA GLU A 9 2.733 20.758 7.988 1.00 0.00 ATOM 67 CB GLU A 9 2.087 22.144 8.058 1.00 0.00 ATOM 68 CG GLU A 9 2.678 23.049 9.127 1.00 0.00 ATOM 69 CD GLU A 9 2.320 22.603 10.532 1.00 0.00 ATOM 70 OE1 GLU A 9 1.456 21.714 10.670 1.00 0.00 ATOM 71 OE2 GLU A 9 2.907 23.143 11.492 1.00 0.00 ATOM 72 O GLU A 9 2.701 19.466 5.968 1.00 0.00 ATOM 73 C GLU A 9 2.054 19.950 6.899 1.00 0.00 ATOM 74 N THR A 10 0.740 19.817 7.020 1.00 0.00 ATOM 75 CA THR A 10 -0.042 19.065 6.056 1.00 0.00 ATOM 76 CB THR A 10 -1.542 19.092 6.402 1.00 0.00 ATOM 77 CG2 THR A 10 -2.344 18.332 5.357 1.00 0.00 ATOM 78 OG1 THR A 10 -1.752 18.483 7.682 1.00 0.00 ATOM 79 O THR A 10 0.116 18.880 3.676 1.00 0.00 ATOM 80 C THR A 10 0.110 19.630 4.646 1.00 0.00 ATOM 81 N GLY A 11 0.232 20.949 4.532 1.00 0.00 ATOM 82 CA GLY A 11 0.374 21.576 3.224 1.00 0.00 ATOM 83 O GLY A 11 1.894 21.573 1.369 1.00 0.00 ATOM 84 C GLY A 11 1.725 21.318 2.561 1.00 0.00 ATOM 85 N ASP A 12 2.686 20.826 3.334 1.00 0.00 ATOM 86 CA ASP A 12 4.018 20.534 2.807 1.00 0.00 ATOM 87 CB ASP A 12 5.074 20.689 3.904 1.00 0.00 ATOM 88 CG ASP A 12 5.165 22.108 4.428 1.00 0.00 ATOM 89 OD1 ASP A 12 5.239 23.043 3.604 1.00 0.00 ATOM 90 OD2 ASP A 12 5.161 22.286 5.665 1.00 0.00 ATOM 91 O ASP A 12 5.212 18.660 1.926 1.00 0.00 ATOM 92 C ASP A 12 4.127 19.107 2.281 1.00 0.00 ATOM 93 N LEU A 13 3.011 18.384 2.289 1.00 0.00 ATOM 94 CA LEU A 13 2.980 16.994 1.842 1.00 0.00 ATOM 95 CB LEU A 13 1.537 16.489 1.767 1.00 0.00 ATOM 96 CG LEU A 13 1.349 15.047 1.291 1.00 0.00 ATOM 97 CD1 LEU A 13 2.004 14.073 2.257 1.00 0.00 ATOM 98 CD2 LEU A 13 -0.130 14.702 1.196 1.00 0.00 ATOM 99 O LEU A 13 4.405 15.881 0.293 1.00 0.00 ATOM 100 C LEU A 13 3.554 16.759 0.456 1.00 0.00 ATOM 101 N GLU A 14 3.111 17.529 -0.532 1.00 0.00 ATOM 102 CA GLU A 14 3.635 17.358 -1.887 1.00 0.00 ATOM 103 CB GLU A 14 2.910 18.304 -2.846 1.00 0.00 ATOM 104 CG GLU A 14 1.458 17.932 -3.106 1.00 0.00 ATOM 105 CD GLU A 14 0.738 18.957 -3.959 1.00 0.00 ATOM 106 OE1 GLU A 14 1.352 19.994 -4.286 1.00 0.00 ATOM 107 OE2 GLU A 14 -0.441 18.723 -4.301 1.00 0.00 ATOM 108 O GLU A 14 5.871 16.876 -2.616 1.00 0.00 ATOM 109 C GLU A 14 5.130 17.640 -1.996 1.00 0.00 ATOM 110 N THR A 15 5.572 18.739 -1.395 1.00 0.00 ATOM 111 CA THR A 15 6.986 19.102 -1.429 1.00 0.00 ATOM 112 CB THR A 15 7.236 20.459 -0.744 1.00 0.00 ATOM 113 CG2 THR A 15 6.449 21.559 -1.438 1.00 0.00 ATOM 114 OG1 THR A 15 6.824 20.388 0.626 1.00 0.00 ATOM 115 O THR A 15 8.924 17.715 -1.183 1.00 0.00 ATOM 116 C THR A 15 7.838 18.070 -0.706 1.00 0.00 ATOM 117 N VAL A 16 7.360 17.604 0.451 1.00 0.00 ATOM 118 CA VAL A 16 8.073 16.599 1.229 1.00 0.00 ATOM 119 CB VAL A 16 7.355 16.321 2.566 1.00 0.00 ATOM 120 CG1 VAL A 16 7.950 15.090 3.243 1.00 0.00 ATOM 121 CG2 VAL A 16 7.479 17.528 3.464 1.00 0.00 ATOM 122 O VAL A 16 9.253 14.679 0.413 1.00 0.00 ATOM 123 C VAL A 16 8.206 15.317 0.409 1.00 0.00 ATOM 124 N ALA A 17 7.136 14.945 -0.289 1.00 0.00 ATOM 125 CA ALA A 17 7.140 13.731 -1.103 1.00 0.00 ATOM 126 CB ALA A 17 5.739 13.455 -1.667 1.00 0.00 ATOM 127 O ALA A 17 8.901 12.838 -2.465 1.00 0.00 ATOM 128 C ALA A 17 8.160 13.810 -2.220 1.00 0.00 ATOM 129 N GLY A 18 8.235 14.908 -2.932 1.00 0.00 ATOM 130 CA GLY A 18 9.188 15.042 -4.014 1.00 0.00 ATOM 131 O GLY A 18 11.503 14.436 -4.077 1.00 0.00 ATOM 132 C GLY A 18 10.620 15.068 -3.500 1.00 0.00 ATOM 133 N PHE A 19 10.857 15.806 -2.419 1.00 0.00 ATOM 134 CA PHE A 19 12.206 15.873 -1.859 1.00 0.00 ATOM 135 CB PHE A 19 12.238 16.889 -0.717 1.00 0.00 ATOM 136 CG PHE A 19 12.034 18.308 -1.161 1.00 0.00 ATOM 137 CD1 PHE A 19 12.192 18.663 -2.490 1.00 0.00 ATOM 138 CD2 PHE A 19 11.682 19.292 -0.252 1.00 0.00 ATOM 139 CE1 PHE A 19 12.004 19.969 -2.901 1.00 0.00 ATOM 140 CE2 PHE A 19 11.494 20.598 -0.661 1.00 0.00 ATOM 141 CZ PHE A 19 11.652 20.939 -1.979 1.00 0.00 ATOM 142 O PHE A 19 13.782 14.091 -1.497 1.00 0.00 ATOM 143 C PHE A 19 12.633 14.502 -1.327 1.00 0.00 ATOM 144 N PRO A 20 11.703 13.794 -0.687 1.00 0.00 ATOM 145 CA PRO A 20 11.994 12.461 -0.144 1.00 0.00 ATOM 146 CB PRO A 20 10.675 11.977 0.379 1.00 0.00 ATOM 147 CG PRO A 20 10.081 13.238 0.937 1.00 0.00 ATOM 148 CD PRO A 20 10.414 14.301 -0.112 1.00 0.00 ATOM 149 O PRO A 20 13.354 10.709 -1.079 1.00 0.00 ATOM 150 C PRO A 20 12.375 11.467 -1.230 1.00 0.00 ATOM 151 N GLN A 21 11.658 11.481 -2.349 1.00 0.00 ATOM 152 CA GLN A 21 11.926 10.581 -3.456 1.00 0.00 ATOM 153 CB GLN A 21 10.869 10.746 -4.549 1.00 0.00 ATOM 154 CG GLN A 21 9.502 10.194 -4.179 1.00 0.00 ATOM 155 CD GLN A 21 8.449 10.493 -5.228 1.00 0.00 ATOM 156 OE1 GLN A 21 8.717 11.186 -6.209 1.00 0.00 ATOM 157 NE2 GLN A 21 7.246 9.969 -5.023 1.00 0.00 ATOM 158 O GLN A 21 14.087 9.940 -4.287 1.00 0.00 ATOM 159 C GLN A 21 13.290 10.859 -4.093 1.00 0.00 ATOM 160 N ASP A 22 13.554 12.122 -4.412 1.00 0.00 ATOM 161 CA ASP A 22 14.810 12.513 -5.045 1.00 0.00 ATOM 162 CB ASP A 22 14.842 14.024 -5.286 1.00 0.00 ATOM 163 CG ASP A 22 13.920 14.454 -6.409 1.00 0.00 ATOM 164 OD1 ASP A 22 13.441 13.574 -7.154 1.00 0.00 ATOM 165 OD2 ASP A 22 13.675 15.671 -6.543 1.00 0.00 ATOM 166 O ASP A 22 17.003 11.593 -4.711 1.00 0.00 ATOM 167 C ASP A 22 16.042 12.179 -4.209 1.00 0.00 ATOM 168 N ARG A 23 16.029 12.579 -2.943 1.00 0.00 ATOM 169 CA ARG A 23 17.179 12.327 -2.082 1.00 0.00 ATOM 170 CB ARG A 23 17.192 13.201 -0.881 1.00 0.00 ATOM 171 CG ARG A 23 17.310 14.631 -1.378 1.00 0.00 ATOM 172 CD ARG A 23 17.206 15.689 -0.321 1.00 0.00 ATOM 173 NE ARG A 23 17.355 17.009 -0.955 1.00 0.00 ATOM 174 CZ ARG A 23 17.347 18.149 -0.272 1.00 0.00 ATOM 175 NH1 ARG A 23 17.188 18.106 1.061 1.00 0.00 ATOM 176 NH2 ARG A 23 17.511 19.303 -0.903 1.00 0.00 ATOM 177 O ARG A 23 18.512 10.374 -1.685 1.00 0.00 ATOM 178 C ARG A 23 17.373 10.847 -1.767 1.00 0.00 ATOM 179 N ASP A 24 16.281 10.108 -1.606 1.00 0.00 ATOM 180 CA ASP A 24 16.400 8.683 -1.314 1.00 0.00 ATOM 181 CB ASP A 24 15.051 8.198 -0.808 1.00 0.00 ATOM 182 CG ASP A 24 15.202 6.971 0.051 1.00 0.00 ATOM 183 OD1 ASP A 24 15.878 7.075 1.126 1.00 0.00 ATOM 184 OD2 ASP A 24 14.679 5.911 -0.367 1.00 0.00 ATOM 185 O ASP A 24 17.744 7.033 -2.425 1.00 0.00 ATOM 186 C ASP A 24 16.900 7.924 -2.537 1.00 0.00 ATOM 187 N GLU A 25 16.345 8.249 -3.701 1.00 0.00 ATOM 188 CA GLU A 25 16.762 7.588 -4.931 1.00 0.00 ATOM 189 CB GLU A 25 16.019 8.177 -6.132 1.00 0.00 ATOM 190 CG GLU A 25 16.366 7.521 -7.458 1.00 0.00 ATOM 191 CD GLU A 25 15.587 8.106 -8.620 1.00 0.00 ATOM 192 OE1 GLU A 25 14.765 9.018 -8.384 1.00 0.00 ATOM 193 OE2 GLU A 25 15.797 7.655 -9.765 1.00 0.00 ATOM 194 O GLU A 25 19.000 6.863 -5.464 1.00 0.00 ATOM 195 C GLU A 25 18.260 7.789 -5.131 1.00 0.00 ATOM 196 N LEU A 26 18.794 9.047 -4.664 1.00 0.00 ATOM 197 CA LEU A 26 20.196 9.384 -4.850 1.00 0.00 ATOM 198 CB LEU A 26 20.386 10.901 -4.855 1.00 0.00 ATOM 199 CG LEU A 26 19.727 11.663 -6.006 1.00 0.00 ATOM 200 CD1 LEU A 26 19.896 13.165 -5.826 1.00 0.00 ATOM 201 CD2 LEU A 26 20.351 11.272 -7.338 1.00 0.00 ATOM 202 O LEU A 26 22.338 8.932 -3.869 1.00 0.00 ATOM 203 C LEU A 26 21.117 8.822 -3.766 1.00 0.00 ATOM 204 N PHE A 27 20.545 8.145 -2.776 1.00 0.00 ATOM 205 CA PHE A 27 21.347 7.583 -1.697 1.00 0.00 ATOM 206 CB PHE A 27 20.726 7.926 -0.341 1.00 0.00 ATOM 207 CG PHE A 27 20.702 9.397 -0.039 1.00 0.00 ATOM 208 CD1 PHE A 27 21.535 10.270 -0.717 1.00 0.00 ATOM 209 CD2 PHE A 27 19.847 9.907 0.922 1.00 0.00 ATOM 210 CE1 PHE A 27 21.514 11.624 -0.439 1.00 0.00 ATOM 211 CE2 PHE A 27 19.825 11.260 1.199 1.00 0.00 ATOM 212 CZ PHE A 27 20.654 12.118 0.523 1.00 0.00 ATOM 213 O PHE A 27 22.528 5.522 -1.377 1.00 0.00 ATOM 214 C PHE A 27 21.488 6.055 -1.755 1.00 0.00 ATOM 215 N TYR A 28 20.475 5.347 -2.213 1.00 0.00 ATOM 216 CA TYR A 28 20.468 3.887 -2.312 1.00 0.00 ATOM 217 CB TYR A 28 19.555 3.295 -1.242 1.00 0.00 ATOM 218 CG TYR A 28 19.974 3.581 0.191 1.00 0.00 ATOM 219 CD1 TYR A 28 19.825 4.835 0.770 1.00 0.00 ATOM 220 CD2 TYR A 28 20.521 2.582 0.983 1.00 0.00 ATOM 221 CE1 TYR A 28 20.201 5.084 2.070 1.00 0.00 ATOM 222 CE2 TYR A 28 20.891 2.820 2.274 1.00 0.00 ATOM 223 CZ TYR A 28 20.739 4.069 2.821 1.00 0.00 ATOM 224 OH TYR A 28 21.101 4.325 4.126 1.00 0.00 ATOM 225 O TYR A 28 19.077 4.249 -4.219 1.00 0.00 ATOM 226 C TYR A 28 19.925 3.535 -3.657 1.00 0.00 ATOM 227 N CYS A 29 20.402 2.441 -4.206 1.00 0.00 ATOM 228 CA CYS A 29 20.018 1.990 -5.547 1.00 0.00 ATOM 229 CB CYS A 29 20.749 0.695 -5.906 1.00 0.00 ATOM 230 SG CYS A 29 20.339 -0.713 -4.851 1.00 0.00 ATOM 231 O CYS A 29 17.952 2.020 -6.760 1.00 0.00 ATOM 232 C CYS A 29 18.537 1.699 -5.726 1.00 0.00 ATOM 233 N TYR A 30 16.822 1.250 -5.126 1.00 0.00 ATOM 234 CA TYR A 30 15.569 1.621 -5.772 1.00 0.00 ATOM 235 CB TYR A 30 15.498 1.034 -7.183 1.00 0.00 ATOM 236 CG TYR A 30 14.207 1.337 -7.909 1.00 0.00 ATOM 237 CD1 TYR A 30 14.005 2.572 -8.513 1.00 0.00 ATOM 238 CD2 TYR A 30 13.195 0.389 -7.989 1.00 0.00 ATOM 239 CE1 TYR A 30 12.829 2.859 -9.179 1.00 0.00 ATOM 240 CE2 TYR A 30 12.011 0.659 -8.652 1.00 0.00 ATOM 241 CZ TYR A 30 11.836 1.906 -9.247 1.00 0.00 ATOM 242 OH TYR A 30 10.663 2.190 -9.911 1.00 0.00 ATOM 243 O TYR A 30 13.452 1.848 -4.653 1.00 0.00 ATOM 244 C TYR A 30 14.389 1.104 -4.956 1.00 0.00 ATOM 245 N PRO A 31 14.455 -0.167 -4.571 1.00 0.00 ATOM 246 CA PRO A 31 13.386 -0.784 -3.791 1.00 0.00 ATOM 247 CB PRO A 31 13.862 -2.224 -3.585 1.00 0.00 ATOM 248 CG PRO A 31 14.719 -2.508 -4.773 1.00 0.00 ATOM 249 CD PRO A 31 15.495 -1.248 -5.037 1.00 0.00 ATOM 250 O PRO A 31 12.014 0.182 -2.070 1.00 0.00 ATOM 251 C PRO A 31 13.154 -0.088 -2.448 1.00 0.00 ATOM 252 N LYS A 32 14.223 0.288 -1.837 1.00 0.00 ATOM 253 CA LYS A 32 14.128 1.011 -0.574 1.00 0.00 ATOM 254 CB LYS A 32 15.499 1.278 0.015 1.00 0.00 ATOM 255 CG LYS A 32 16.049 0.037 0.726 1.00 0.00 ATOM 256 CD LYS A 32 17.543 0.145 0.992 1.00 0.00 ATOM 257 CE LYS A 32 18.072 -1.176 1.589 1.00 0.00 ATOM 258 NZ LYS A 32 19.516 -1.092 1.944 1.00 0.00 ATOM 259 O LYS A 32 12.660 2.823 0.022 1.00 0.00 ATOM 260 C LYS A 32 13.529 2.406 -0.747 1.00 0.00 ATOM 261 N ALA A 33 14.011 3.131 -1.752 1.00 0.00 ATOM 262 CA ALA A 33 13.514 4.471 -2.034 1.00 0.00 ATOM 263 CB ALA A 33 14.154 5.019 -3.301 1.00 0.00 ATOM 264 O ALA A 33 11.286 5.319 -1.715 1.00 0.00 ATOM 265 C ALA A 33 12.002 4.451 -2.218 1.00 0.00 ATOM 266 N ILE A 34 11.503 3.455 -2.958 1.00 0.00 ATOM 267 CA ILE A 34 10.073 3.334 -3.195 1.00 0.00 ATOM 268 CB ILE A 34 9.768 2.258 -4.253 1.00 0.00 ATOM 269 CG1 ILE A 34 10.402 2.634 -5.594 1.00 0.00 ATOM 270 CG2 ILE A 34 8.266 2.118 -4.451 1.00 0.00 ATOM 271 CD1 ILE A 34 9.936 3.967 -6.137 1.00 0.00 ATOM 272 O ILE A 34 8.130 3.350 -1.781 1.00 0.00 ATOM 273 C ILE A 34 9.284 2.950 -1.941 1.00 0.00 ATOM 274 N TRP A 35 9.902 2.194 -1.040 1.00 0.00 ATOM 275 CA TRP A 35 9.205 1.778 0.174 1.00 0.00 ATOM 276 CB TRP A 35 10.228 0.654 0.840 1.00 0.00 ATOM 277 CG TRP A 35 9.853 -0.343 1.906 1.00 0.00 ATOM 278 CD1 TRP A 35 8.644 -0.955 2.117 1.00 0.00 ATOM 279 CD2 TRP A 35 10.738 -0.860 2.901 1.00 0.00 ATOM 280 CE2 TRP A 35 10.010 -1.776 3.686 1.00 0.00 ATOM 281 CE3 TRP A 35 12.088 -0.628 3.218 1.00 0.00 ATOM 282 NE1 TRP A 35 8.736 -1.823 3.182 1.00 0.00 ATOM 283 CZ2 TRP A 35 10.583 -2.461 4.765 1.00 0.00 ATOM 284 CZ3 TRP A 35 12.656 -1.318 4.283 1.00 0.00 ATOM 285 CH2 TRP A 35 11.905 -2.227 5.037 1.00 0.00 ATOM 286 O TRP A 35 8.567 2.779 2.267 1.00 0.00 ATOM 287 C TRP A 35 9.362 2.768 1.328 1.00 0.00 ATOM 288 N PRO A 36 10.142 3.916 1.203 1.00 0.00 ATOM 289 CA PRO A 36 10.380 4.865 2.280 1.00 0.00 ATOM 290 CB PRO A 36 11.884 4.809 2.483 1.00 0.00 ATOM 291 CG PRO A 36 12.235 3.421 2.048 1.00 0.00 ATOM 292 CD PRO A 36 11.407 3.245 0.796 1.00 0.00 ATOM 293 O PRO A 36 9.452 6.989 2.882 1.00 0.00 ATOM 294 C PRO A 36 9.897 6.273 1.983 1.00 0.00 ATOM 295 N PHE A 37 9.959 6.672 0.721 1.00 0.00 ATOM 296 CA PHE A 37 9.584 8.035 0.378 1.00 0.00 ATOM 297 CB PHE A 37 10.758 8.904 0.240 1.00 0.00 ATOM 298 CG PHE A 37 11.433 9.121 1.568 1.00 0.00 ATOM 299 CD1 PHE A 37 10.667 9.390 2.702 1.00 0.00 ATOM 300 CD2 PHE A 37 12.808 9.094 1.670 1.00 0.00 ATOM 301 CE1 PHE A 37 11.275 9.639 3.935 1.00 0.00 ATOM 302 CE2 PHE A 37 13.439 9.348 2.908 1.00 0.00 ATOM 303 CZ PHE A 37 12.675 9.619 4.031 1.00 0.00 ATOM 304 O PHE A 37 8.248 9.229 -1.215 1.00 0.00 ATOM 305 C PHE A 37 8.406 8.185 -0.577 1.00 0.00 ATOM 306 N SER A 38 7.563 7.161 -0.672 1.00 0.00 ATOM 307 CA SER A 38 6.413 7.273 -1.543 1.00 0.00 ATOM 308 CB SER A 38 5.732 5.915 -1.713 1.00 0.00 ATOM 309 OG SER A 38 5.149 5.479 -0.497 1.00 0.00 ATOM 310 O SER A 38 5.780 8.847 0.147 1.00 0.00 ATOM 311 C SER A 38 5.543 8.382 -0.966 1.00 0.00 ATOM 312 N VAL A 39 4.535 8.828 -1.678 1.00 0.00 ATOM 313 CA VAL A 39 3.649 9.874 -1.183 1.00 0.00 ATOM 314 CB VAL A 39 2.579 10.177 -2.249 1.00 0.00 ATOM 315 CG1 VAL A 39 1.480 11.052 -1.668 1.00 0.00 ATOM 316 CG2 VAL A 39 3.198 10.906 -3.431 1.00 0.00 ATOM 317 O VAL A 39 2.746 10.278 1.002 1.00 0.00 ATOM 318 C VAL A 39 2.872 9.487 0.069 1.00 0.00 ATOM 319 N ALA A 40 2.359 8.262 0.081 1.00 0.00 ATOM 320 CA ALA A 40 1.561 7.777 1.192 1.00 0.00 ATOM 321 CB ALA A 40 0.975 6.412 0.867 1.00 0.00 ATOM 322 O ALA A 40 1.860 7.989 3.561 1.00 0.00 ATOM 323 C ALA A 40 2.343 7.622 2.490 1.00 0.00 ATOM 324 N GLN A 41 3.550 7.080 2.396 1.00 0.00 ATOM 325 CA GLN A 41 4.375 6.881 3.582 1.00 0.00 ATOM 326 CB GLN A 41 5.681 6.176 3.213 1.00 0.00 ATOM 327 CG GLN A 41 6.574 5.862 4.402 1.00 0.00 ATOM 328 CD GLN A 41 5.946 4.863 5.356 1.00 0.00 ATOM 329 OE1 GLN A 41 5.409 3.841 4.930 1.00 0.00 ATOM 330 NE2 GLN A 41 6.013 5.157 6.648 1.00 0.00 ATOM 331 O GLN A 41 4.540 8.411 5.428 1.00 0.00 ATOM 332 C GLN A 41 4.710 8.232 4.220 1.00 0.00 ATOM 333 N LEU A 42 5.239 9.158 3.429 1.00 0.00 ATOM 334 CA LEU A 42 5.600 10.473 3.957 1.00 0.00 ATOM 335 CB LEU A 42 6.275 11.318 2.874 1.00 0.00 ATOM 336 CG LEU A 42 7.663 10.859 2.423 1.00 0.00 ATOM 337 CD1 LEU A 42 8.142 11.681 1.236 1.00 0.00 ATOM 338 CD2 LEU A 42 8.674 11.015 3.549 1.00 0.00 ATOM 339 O LEU A 42 4.449 11.935 5.478 1.00 0.00 ATOM 340 C LEU A 42 4.369 11.221 4.477 1.00 0.00 ATOM 341 N ALA A 43 3.235 11.049 3.802 1.00 0.00 ATOM 342 CA ALA A 43 2.014 11.712 4.249 1.00 0.00 ATOM 343 CB ALA A 43 0.858 11.470 3.289 1.00 0.00 ATOM 344 O ALA A 43 1.339 11.956 6.525 1.00 0.00 ATOM 345 C ALA A 43 1.653 11.181 5.627 1.00 0.00 ATOM 346 N ALA A 44 1.773 9.859 5.823 1.00 0.00 ATOM 347 CA ALA A 44 1.489 9.250 7.129 1.00 0.00 ATOM 348 CB ALA A 44 1.682 7.743 7.046 1.00 0.00 ATOM 349 O ALA A 44 2.029 10.134 9.289 1.00 0.00 ATOM 350 C ALA A 44 2.445 9.774 8.192 1.00 0.00 ATOM 351 N ALA A 45 3.739 9.832 7.881 1.00 0.00 ATOM 352 CA ALA A 45 4.720 10.321 8.837 1.00 0.00 ATOM 353 CB ALA A 45 6.117 10.130 8.285 1.00 0.00 ATOM 354 O ALA A 45 4.600 12.191 10.335 1.00 0.00 ATOM 355 C ALA A 45 4.508 11.797 9.181 1.00 0.00 ATOM 356 N ILE A 46 4.236 12.605 8.168 1.00 0.00 ATOM 357 CA ILE A 46 3.996 14.029 8.373 1.00 0.00 ATOM 358 CB ILE A 46 3.832 14.790 7.023 1.00 0.00 ATOM 359 CG1 ILE A 46 5.180 14.885 6.313 1.00 0.00 ATOM 360 CG2 ILE A 46 3.336 16.195 7.261 1.00 0.00 ATOM 361 CD1 ILE A 46 5.073 15.246 4.851 1.00 0.00 ATOM 362 O ILE A 46 2.759 14.965 10.199 1.00 0.00 ATOM 363 C ILE A 46 2.752 14.196 9.241 1.00 0.00 ATOM 364 N ALA A 47 1.675 13.457 8.929 1.00 0.00 ATOM 365 CA ALA A 47 0.444 13.553 9.712 1.00 0.00 ATOM 366 CB ALA A 47 -0.610 12.698 9.039 1.00 0.00 ATOM 367 O ALA A 47 0.108 13.710 12.093 1.00 0.00 ATOM 368 C ALA A 47 0.650 13.102 11.161 1.00 0.00 ATOM 369 N GLU A 48 1.432 12.029 11.333 1.00 0.00 ATOM 370 CA GLU A 48 1.726 11.496 12.660 1.00 0.00 ATOM 371 CB GLU A 48 2.398 10.125 12.550 1.00 0.00 ATOM 372 CG GLU A 48 1.485 9.028 12.030 1.00 0.00 ATOM 373 CD GLU A 48 0.289 8.787 12.930 1.00 0.00 ATOM 374 OE1 GLU A 48 0.494 8.554 14.140 1.00 0.00 ATOM 375 OE2 GLU A 48 -0.853 8.835 12.425 1.00 0.00 ATOM 376 O GLU A 48 3.759 12.715 12.921 1.00 0.00 ATOM 377 C GLU A 48 2.661 12.440 13.406 1.00 0.00 ATOM 378 N ARG A 49 3.009 11.746 16.191 1.00 0.00 ATOM 379 CA ARG A 49 4.270 11.517 16.886 1.00 0.00 ATOM 380 CB ARG A 49 4.379 10.021 17.343 1.00 0.00 ATOM 381 CG ARG A 49 3.119 9.502 18.152 1.00 0.00 ATOM 382 CD ARG A 49 3.204 7.965 18.389 1.00 0.00 ATOM 383 NE ARG A 49 3.544 7.297 17.127 1.00 0.00 ATOM 384 CZ ARG A 49 2.681 7.061 16.140 1.00 0.00 ATOM 385 NH1 ARG A 49 1.415 7.398 16.290 1.00 0.00 ATOM 386 NH2 ARG A 49 3.106 6.573 14.992 1.00 0.00 ATOM 387 O ARG A 49 6.614 11.268 16.429 1.00 0.00 ATOM 388 C ARG A 49 5.521 11.675 16.030 1.00 0.00 ATOM 389 N ARG A 50 5.336 12.228 14.836 1.00 0.00 ATOM 390 CA ARG A 50 6.426 12.469 13.900 1.00 0.00 ATOM 391 CB ARG A 50 6.266 11.597 12.653 1.00 0.00 ATOM 392 CG ARG A 50 6.357 10.104 12.925 1.00 0.00 ATOM 393 CD ARG A 50 6.132 9.298 11.656 1.00 0.00 ATOM 394 NE ARG A 50 6.236 7.860 11.896 1.00 0.00 ATOM 395 CZ ARG A 50 6.050 6.932 10.962 1.00 0.00 ATOM 396 NH1 ARG A 50 6.166 5.648 11.273 1.00 0.00 ATOM 397 NH2 ARG A 50 5.748 7.290 9.721 1.00 0.00 ATOM 398 O ARG A 50 5.352 14.562 13.446 1.00 0.00 ATOM 399 C ARG A 50 6.407 13.927 13.484 1.00 0.00 ATOM 400 N GLY A 51 7.582 14.450 13.162 1.00 0.00 ATOM 401 CA GLY A 51 7.692 15.830 12.748 1.00 0.00 ATOM 402 O GLY A 51 9.936 15.431 11.967 1.00 0.00 ATOM 403 C GLY A 51 8.848 15.977 11.762 1.00 0.00 ATOM 404 N SER A 52 8.583 16.692 10.671 1.00 0.00 ATOM 405 CA SER A 52 9.576 16.938 9.630 1.00 0.00 ATOM 406 CB SER A 52 9.042 16.498 8.266 1.00 0.00 ATOM 407 OG SER A 52 9.939 16.851 7.228 1.00 0.00 ATOM 408 O SER A 52 8.989 19.243 9.779 1.00 0.00 ATOM 409 C SER A 52 9.885 18.426 9.596 1.00 0.00 ATOM 410 N THR A 53 11.098 18.445 9.405 1.00 0.00 ATOM 411 CA THR A 53 11.724 19.756 9.271 1.00 0.00 ATOM 412 CB THR A 53 12.575 20.164 10.489 1.00 0.00 ATOM 413 CG2 THR A 53 11.773 20.043 11.780 1.00 0.00 ATOM 414 OG1 THR A 53 13.670 19.226 10.554 1.00 0.00 ATOM 415 O THR A 53 13.195 18.909 7.584 1.00 0.00 ATOM 416 C THR A 53 12.485 19.842 7.959 1.00 0.00 ATOM 417 N VAL A 54 12.262 21.008 7.379 1.00 0.00 ATOM 418 CA VAL A 54 13.022 21.268 6.164 1.00 0.00 ATOM 419 CB VAL A 54 12.185 21.888 5.029 1.00 0.00 ATOM 420 CG1 VAL A 54 13.064 22.192 3.825 1.00 0.00 ATOM 421 CG2 VAL A 54 11.088 20.930 4.591 1.00 0.00 ATOM 422 O VAL A 54 13.863 23.270 7.243 1.00 0.00 ATOM 423 C VAL A 54 14.107 22.327 6.479 1.00 0.00 ATOM 424 N ALA A 55 15.202 22.090 5.823 1.00 0.00 ATOM 425 CA ALA A 55 16.304 23.036 6.024 1.00 0.00 ATOM 426 CB ALA A 55 17.528 22.271 6.503 1.00 0.00 ATOM 427 O ALA A 55 16.576 23.127 3.639 1.00 0.00 ATOM 428 C ALA A 55 16.575 23.749 4.702 1.00 0.00 ATOM 429 N VAL A 56 16.783 25.058 4.779 1.00 0.00 ATOM 430 CA VAL A 56 17.024 25.876 3.594 1.00 0.00 ATOM 431 CB VAL A 56 15.908 26.919 3.391 1.00 0.00 ATOM 432 CG1 VAL A 56 14.574 26.231 3.153 1.00 0.00 ATOM 433 CG2 VAL A 56 15.781 27.806 4.620 1.00 0.00 ATOM 434 O VAL A 56 18.593 27.329 4.683 1.00 0.00 ATOM 435 C VAL A 56 18.269 26.748 3.643 1.00 0.00 ATOM 436 N HIS A 57 18.971 26.819 2.521 1.00 0.00 ATOM 437 CA HIS A 57 20.151 27.663 2.419 1.00 0.00 ATOM 438 CB HIS A 57 21.393 26.795 2.196 1.00 0.00 ATOM 439 CG HIS A 57 22.682 27.565 2.226 1.00 0.00 ATOM 440 CD2 HIS A 57 23.078 28.659 1.530 1.00 0.00 ATOM 441 ND1 HIS A 57 23.733 27.232 3.056 1.00 0.00 ATOM 442 CE1 HIS A 57 24.721 28.091 2.869 1.00 0.00 ATOM 443 NE2 HIS A 57 24.350 28.968 1.950 1.00 0.00 ATOM 444 O HIS A 57 19.664 28.284 0.152 1.00 0.00 ATOM 445 C HIS A 57 19.896 28.667 1.299 1.00 0.00 ATOM 446 N ASP A 58 19.983 29.898 1.654 1.00 0.00 ATOM 447 CA ASP A 58 19.736 30.943 0.669 1.00 0.00 ATOM 448 CB ASP A 58 20.781 30.885 -0.447 1.00 0.00 ATOM 449 CG ASP A 58 20.878 32.184 -1.223 1.00 0.00 ATOM 450 OD1 ASP A 58 20.389 33.216 -0.716 1.00 0.00 ATOM 451 OD2 ASP A 58 21.444 32.170 -2.335 1.00 0.00 ATOM 452 O ASP A 58 18.120 31.178 -1.094 1.00 0.00 ATOM 453 C ASP A 58 18.336 30.841 0.070 1.00 0.00 ATOM 454 N GLY A 59 17.357 30.367 0.875 1.00 0.00 ATOM 455 CA GLY A 59 15.987 30.238 0.412 1.00 0.00 ATOM 456 O GLY A 59 14.646 28.749 -0.904 1.00 0.00 ATOM 457 C GLY A 59 15.757 28.987 -0.430 1.00 0.00 ATOM 458 N GLN A 60 16.794 28.170 -0.584 1.00 0.00 ATOM 459 CA GLN A 60 16.690 26.938 -1.363 1.00 0.00 ATOM 460 CB GLN A 60 17.894 26.788 -2.294 1.00 0.00 ATOM 461 CG GLN A 60 18.003 27.877 -3.350 1.00 0.00 ATOM 462 CD GLN A 60 16.826 27.883 -4.304 1.00 0.00 ATOM 463 OE1 GLN A 60 16.502 26.862 -4.912 1.00 0.00 ATOM 464 NE2 GLN A 60 16.180 29.036 -4.439 1.00 0.00 ATOM 465 O GLN A 60 17.430 25.585 0.469 1.00 0.00 ATOM 466 C GLN A 60 16.638 25.706 -0.460 1.00 0.00 ATOM 467 N VAL A 61 15.700 24.802 -0.738 1.00 0.00 ATOM 468 CA VAL A 61 15.555 23.583 0.053 1.00 0.00 ATOM 469 CB VAL A 61 14.352 22.744 -0.418 1.00 0.00 ATOM 470 CG1 VAL A 61 14.281 21.434 0.352 1.00 0.00 ATOM 471 CG2 VAL A 61 13.053 23.504 -0.193 1.00 0.00 ATOM 472 O VAL A 61 17.195 22.309 -1.168 1.00 0.00 ATOM 473 C VAL A 61 16.806 22.716 -0.069 1.00 0.00 ATOM 474 N LEU A 62 17.428 22.423 1.071 1.00 0.00 ATOM 475 CA LEU A 62 18.656 21.637 1.089 1.00 0.00 ATOM 476 CB LEU A 62 19.699 22.323 1.973 1.00 0.00 ATOM 477 CG LEU A 62 20.014 23.779 1.604 1.00 0.00 ATOM 478 CD1 LEU A 62 20.957 24.453 2.624 1.00 0.00 ATOM 479 CD2 LEU A 62 20.649 23.780 0.195 1.00 0.00 ATOM 480 O LEU A 62 19.369 19.382 1.436 1.00 0.00 ATOM 481 C LEU A 62 18.522 20.235 1.682 1.00 0.00 ATOM 482 N GLY A 63 17.465 19.987 2.445 1.00 0.00 ATOM 483 CA GLY A 63 17.299 18.669 3.032 1.00 0.00 ATOM 484 O GLY A 63 15.507 19.632 4.270 1.00 0.00 ATOM 485 C GLY A 63 16.217 18.649 4.086 1.00 0.00 ATOM 486 N PHE A 64 16.066 17.527 4.777 1.00 0.00 ATOM 487 CA PHE A 64 15.045 17.449 5.811 1.00 0.00 ATOM 488 CB PHE A 64 13.692 17.079 5.201 1.00 0.00 ATOM 489 CG PHE A 64 13.678 15.739 4.523 1.00 0.00 ATOM 490 CD1 PHE A 64 13.304 14.601 5.216 1.00 0.00 ATOM 491 CD2 PHE A 64 14.041 15.614 3.194 1.00 0.00 ATOM 492 CE1 PHE A 64 13.291 13.366 4.594 1.00 0.00 ATOM 493 CE2 PHE A 64 14.030 14.380 2.571 1.00 0.00 ATOM 494 CZ PHE A 64 13.656 13.259 3.265 1.00 0.00 ATOM 495 O PHE A 64 16.295 15.592 6.681 1.00 0.00 ATOM 496 C PHE A 64 15.383 16.404 6.856 1.00 0.00 ATOM 497 N ALA A 65 14.626 16.439 7.945 1.00 0.00 ATOM 498 CA ALA A 65 14.786 15.487 9.029 1.00 0.00 ATOM 499 CB ALA A 65 15.577 16.110 10.169 1.00 0.00 ATOM 500 O ALA A 65 12.457 15.927 9.468 1.00 0.00 ATOM 501 C ALA A 65 13.383 15.107 9.502 1.00 0.00 ATOM 502 N ASN A 66 13.218 13.851 9.901 1.00 0.00 ATOM 503 CA ASN A 66 11.946 13.380 10.440 1.00 0.00 ATOM 504 CB ASN A 66 11.313 12.353 9.500 1.00 0.00 ATOM 505 CG ASN A 66 11.027 12.921 8.124 1.00 0.00 ATOM 506 ND2 ASN A 66 11.809 12.501 7.137 1.00 0.00 ATOM 507 OD1 ASN A 66 10.112 13.727 7.954 1.00 0.00 ATOM 508 O ASN A 66 13.083 11.844 11.873 1.00 0.00 ATOM 509 C ASN A 66 12.245 12.744 11.784 1.00 0.00 ATOM 510 N PHE A 67 11.569 13.216 12.826 1.00 0.00 ATOM 511 CA PHE A 67 11.761 12.670 14.165 1.00 0.00 ATOM 512 CB PHE A 67 12.166 13.777 15.139 1.00 0.00 ATOM 513 CG PHE A 67 11.114 14.830 15.332 1.00 0.00 ATOM 514 CD1 PHE A 67 10.157 14.701 16.323 1.00 0.00 ATOM 515 CD2 PHE A 67 11.080 15.952 14.521 1.00 0.00 ATOM 516 CE1 PHE A 67 9.188 15.670 16.500 1.00 0.00 ATOM 517 CE2 PHE A 67 10.111 16.922 14.698 1.00 0.00 ATOM 518 CZ PHE A 67 9.168 16.784 15.682 1.00 0.00 ATOM 519 O PHE A 67 9.373 12.430 14.273 1.00 0.00 ATOM 520 C PHE A 67 10.468 12.028 14.673 1.00 0.00 ATOM 521 N TYR A 68 10.611 11.005 15.518 1.00 0.00 ATOM 522 CA TYR A 68 9.477 10.291 16.115 1.00 0.00 ATOM 523 CB TYR A 68 9.472 8.852 15.630 1.00 0.00 ATOM 524 CG TYR A 68 9.821 8.716 14.166 1.00 0.00 ATOM 525 CD1 TYR A 68 10.830 7.849 13.755 1.00 0.00 ATOM 526 CD2 TYR A 68 9.144 9.451 13.191 1.00 0.00 ATOM 527 CE1 TYR A 68 11.160 7.712 12.416 1.00 0.00 ATOM 528 CE2 TYR A 68 9.470 9.323 11.838 1.00 0.00 ATOM 529 CZ TYR A 68 10.479 8.447 11.465 1.00 0.00 ATOM 530 OH TYR A 68 10.813 8.292 10.139 1.00 0.00 ATOM 531 O TYR A 68 10.775 10.084 18.120 1.00 0.00 ATOM 532 C TYR A 68 9.656 10.177 17.619 1.00 0.00 ATOM 533 N GLN A 69 8.532 10.156 18.323 1.00 0.00 ATOM 534 CA GLN A 69 8.568 9.954 19.771 1.00 0.00 ATOM 535 CB GLN A 69 7.727 11.159 20.393 1.00 0.00 ATOM 536 CG GLN A 69 6.272 10.968 19.993 1.00 0.00 ATOM 537 CD GLN A 69 5.357 12.012 20.581 1.00 0.00 ATOM 538 OE1 GLN A 69 4.959 11.925 21.744 1.00 0.00 ATOM 539 NE2 GLN A 69 5.025 13.018 19.783 1.00 0.00 ATOM 540 O GLN A 69 7.589 7.774 19.858 1.00 0.00 ATOM 541 C GLN A 69 8.560 8.475 20.145 1.00 0.00 ATOM 542 N TRP A 70 9.645 7.998 20.755 1.00 0.00 ATOM 543 CA TRP A 70 9.712 6.613 21.217 1.00 0.00 ATOM 544 CB TRP A 70 10.327 5.636 20.456 1.00 0.00 ATOM 545 CG TRP A 70 9.395 5.165 19.411 1.00 0.00 ATOM 546 CD1 TRP A 70 8.029 5.116 19.481 1.00 0.00 ATOM 547 CD2 TRP A 70 9.755 4.653 18.127 1.00 0.00 ATOM 548 CE2 TRP A 70 8.554 4.310 17.462 1.00 0.00 ATOM 549 CE3 TRP A 70 10.977 4.453 17.471 1.00 0.00 ATOM 550 NE1 TRP A 70 7.517 4.596 18.312 1.00 0.00 ATOM 551 CZ2 TRP A 70 8.539 3.781 16.166 1.00 0.00 ATOM 552 CZ3 TRP A 70 10.961 3.923 16.176 1.00 0.00 ATOM 553 CH2 TRP A 70 9.747 3.598 15.543 1.00 0.00 ATOM 554 O TRP A 70 10.383 6.672 23.543 1.00 0.00 ATOM 555 C TRP A 70 9.452 6.679 22.727 1.00 0.00 ATOM 556 N GLN A 71 8.106 6.921 23.005 1.00 0.00 ATOM 557 CA GLN A 71 7.609 7.139 24.358 1.00 0.00 ATOM 558 CB GLN A 71 6.107 7.145 24.481 1.00 0.00 ATOM 559 CG GLN A 71 5.371 5.994 23.828 1.00 0.00 ATOM 560 CD GLN A 71 4.976 6.315 22.406 1.00 0.00 ATOM 561 OE1 GLN A 71 3.884 5.956 21.954 1.00 0.00 ATOM 562 NE2 GLN A 71 5.862 6.990 21.690 1.00 0.00 ATOM 563 O GLN A 71 8.271 6.291 26.511 1.00 0.00 ATOM 564 C GLN A 71 7.969 6.027 25.340 1.00 0.00 ATOM 565 N HIS A 72 7.948 4.805 24.838 1.00 0.00 ATOM 566 CA HIS A 72 8.266 3.591 25.594 1.00 0.00 ATOM 567 CB HIS A 72 7.879 2.336 24.778 1.00 0.00 ATOM 568 CG HIS A 72 6.507 2.475 24.283 1.00 0.00 ATOM 569 CD2 HIS A 72 6.003 2.288 23.036 1.00 0.00 ATOM 570 ND1 HIS A 72 5.504 2.856 25.138 1.00 0.00 ATOM 571 CE1 HIS A 72 4.395 2.883 24.406 1.00 0.00 ATOM 572 NE2 HIS A 72 4.666 2.548 23.135 1.00 0.00 ATOM 573 O HIS A 72 10.040 2.925 27.092 1.00 0.00 ATOM 574 C HIS A 72 9.715 3.598 26.110 1.00 0.00 ATOM 575 N GLY A 73 10.584 4.350 25.437 1.00 0.00 ATOM 576 CA GLY A 73 11.995 4.425 25.807 1.00 0.00 ATOM 577 O GLY A 73 13.579 6.211 25.516 1.00 0.00 ATOM 578 C GLY A 73 12.449 5.873 25.904 1.00 0.00 ATOM 579 N ASP A 74 11.507 6.674 26.552 1.00 0.00 ATOM 580 CA ASP A 74 11.757 8.098 26.802 1.00 0.00 ATOM 581 CB ASP A 74 11.032 8.040 28.438 1.00 0.00 ATOM 582 CG ASP A 74 12.130 7.685 29.358 1.00 0.00 ATOM 583 OD1 ASP A 74 13.298 7.906 29.017 1.00 0.00 ATOM 584 OD2 ASP A 74 11.813 7.211 30.468 1.00 0.00 ATOM 585 O ASP A 74 13.703 9.403 26.262 1.00 0.00 ATOM 586 C ASP A 74 12.756 8.736 25.843 1.00 0.00 ATOM 587 N PHE A 75 12.458 8.304 24.810 1.00 0.00 ATOM 588 CA PHE A 75 13.414 8.475 23.727 1.00 0.00 ATOM 589 CB PHE A 75 13.739 7.213 22.926 1.00 0.00 ATOM 590 CG PHE A 75 14.519 6.213 23.648 1.00 0.00 ATOM 591 CD1 PHE A 75 15.743 6.500 24.258 1.00 0.00 ATOM 592 CD2 PHE A 75 14.117 4.875 23.662 1.00 0.00 ATOM 593 CE1 PHE A 75 16.541 5.516 24.869 1.00 0.00 ATOM 594 CE2 PHE A 75 14.888 3.888 24.291 1.00 0.00 ATOM 595 CZ PHE A 75 16.094 4.197 24.901 1.00 0.00 ATOM 596 O PHE A 75 11.615 9.235 22.329 1.00 0.00 ATOM 597 C PHE A 75 12.831 9.152 22.494 1.00 0.00 ATOM 598 N CYS A 76 13.716 9.639 21.627 1.00 0.00 ATOM 599 CA CYS A 76 13.300 10.262 20.380 1.00 0.00 ATOM 600 CB CYS A 76 13.543 11.772 20.430 1.00 0.00 ATOM 601 SG CYS A 76 12.582 12.643 21.688 1.00 0.00 ATOM 602 O CYS A 76 15.351 9.471 19.454 1.00 0.00 ATOM 603 C CYS A 76 14.147 9.628 19.291 1.00 0.00 ATOM 604 N ALA A 77 13.529 9.315 18.160 1.00 0.00 ATOM 605 CA ALA A 77 14.252 8.711 17.053 1.00 0.00 ATOM 606 CB ALA A 77 13.657 7.314 16.740 1.00 0.00 ATOM 607 O ALA A 77 13.326 10.241 15.444 1.00 0.00 ATOM 608 C ALA A 77 14.314 9.612 15.835 1.00 0.00 ATOM 609 N LEU A 78 15.582 9.803 15.360 1.00 0.00 ATOM 610 CA LEU A 78 15.855 10.424 14.061 1.00 0.00 ATOM 611 CB LEU A 78 17.258 11.030 14.093 1.00 0.00 ATOM 612 CG LEU A 78 17.648 11.899 12.894 1.00 0.00 ATOM 613 CD1 LEU A 78 16.738 13.113 12.792 1.00 0.00 ATOM 614 CD2 LEU A 78 19.082 12.389 13.029 1.00 0.00 ATOM 615 O LEU A 78 16.575 8.494 12.839 1.00 0.00 ATOM 616 C LEU A 78 15.671 9.303 13.043 1.00 0.00 ATOM 617 N GLY A 79 14.487 9.227 12.440 1.00 0.00 ATOM 618 CA GLY A 79 14.196 8.168 11.484 1.00 0.00 ATOM 619 O GLY A 79 15.305 7.525 9.456 1.00 0.00 ATOM 620 C GLY A 79 14.793 8.438 10.114 1.00 0.00 ATOM 621 N ASN A 80 14.720 9.698 9.691 1.00 0.00 ATOM 622 CA ASN A 80 15.239 10.122 8.397 1.00 0.00 ATOM 623 CB ASN A 80 14.100 10.290 7.391 1.00 0.00 ATOM 624 CG ASN A 80 13.352 8.997 7.135 1.00 0.00 ATOM 625 ND2 ASN A 80 12.175 8.866 7.738 1.00 0.00 ATOM 626 OD1 ASN A 80 13.828 8.128 6.406 1.00 0.00 ATOM 627 O ASN A 80 15.498 12.365 9.181 1.00 0.00 ATOM 628 C ASN A 80 15.963 11.454 8.505 1.00 0.00 ATOM 629 N MET A 81 17.099 11.560 7.827 1.00 0.00 ATOM 630 CA MET A 81 17.863 12.798 7.801 1.00 0.00 ATOM 631 CB MET A 81 18.357 13.507 8.759 1.00 0.00 ATOM 632 CG MET A 81 19.338 14.589 8.303 1.00 0.00 ATOM 633 SD MET A 81 21.038 14.117 8.531 1.00 0.00 ATOM 634 CE MET A 81 21.205 14.556 10.382 1.00 0.00 ATOM 635 O MET A 81 19.473 11.926 6.226 1.00 0.00 ATOM 636 C MET A 81 18.631 12.791 6.487 1.00 0.00 ATOM 637 N MET A 82 18.295 13.757 5.639 1.00 0.00 ATOM 638 CA MET A 82 18.883 13.834 4.311 1.00 0.00 ATOM 639 CB MET A 82 17.921 13.249 3.274 1.00 0.00 ATOM 640 CG MET A 82 17.689 11.754 3.416 1.00 0.00 ATOM 641 SD MET A 82 16.552 11.106 2.178 1.00 0.00 ATOM 642 CE MET A 82 16.265 9.455 2.811 1.00 0.00 ATOM 643 O MET A 82 18.399 16.136 3.980 1.00 0.00 ATOM 644 C MET A 82 19.211 15.231 3.841 1.00 0.00 ATOM 645 N VAL A 83 20.385 15.384 3.240 1.00 0.00 ATOM 646 CA VAL A 83 20.791 16.656 2.676 1.00 0.00 ATOM 647 CB VAL A 83 22.044 17.211 3.377 1.00 0.00 ATOM 648 CG1 VAL A 83 22.476 18.522 2.739 1.00 0.00 ATOM 649 CG2 VAL A 83 21.761 17.465 4.851 1.00 0.00 ATOM 650 O VAL A 83 21.743 15.357 0.893 1.00 0.00 ATOM 651 C VAL A 83 21.078 16.349 1.209 1.00 0.00 ATOM 652 N ALA A 84 20.569 17.194 0.316 1.00 0.00 ATOM 653 CA ALA A 84 20.795 17.010 -1.114 1.00 0.00 ATOM 654 CB ALA A 84 20.133 18.128 -1.904 1.00 0.00 ATOM 655 O ALA A 84 23.017 17.797 -0.741 1.00 0.00 ATOM 656 C ALA A 84 22.294 17.015 -1.347 1.00 0.00 ATOM 657 N PRO A 85 22.762 16.140 -2.229 1.00 0.00 ATOM 658 CA PRO A 85 24.186 16.038 -2.507 1.00 0.00 ATOM 659 CB PRO A 85 24.247 15.255 -3.820 1.00 0.00 ATOM 660 CG PRO A 85 23.082 14.327 -3.756 1.00 0.00 ATOM 661 CD PRO A 85 21.939 15.129 -3.202 1.00 0.00 ATOM 662 O PRO A 85 25.988 17.584 -2.103 1.00 0.00 ATOM 663 C PRO A 85 24.928 17.360 -2.720 1.00 0.00 ATOM 664 N ALA A 86 24.403 18.258 -3.530 1.00 0.00 ATOM 665 CA ALA A 86 25.044 19.547 -3.751 1.00 0.00 ATOM 666 CB ALA A 86 24.308 20.327 -4.831 1.00 0.00 ATOM 667 O ALA A 86 25.984 21.324 -2.446 1.00 0.00 ATOM 668 C ALA A 86 25.132 20.436 -2.511 1.00 0.00 ATOM 669 N ALA A 87 24.257 20.179 -1.513 1.00 0.00 ATOM 670 CA ALA A 87 24.251 21.009 -0.309 1.00 0.00 ATOM 671 CB ALA A 87 22.825 21.263 0.156 1.00 0.00 ATOM 672 O ALA A 87 25.021 20.927 1.937 1.00 0.00 ATOM 673 C ALA A 87 24.989 20.366 0.846 1.00 0.00 ATOM 674 N ARG A 88 25.608 19.197 0.629 1.00 0.00 ATOM 675 CA ARG A 88 26.334 18.512 1.704 1.00 0.00 ATOM 676 CB ARG A 88 26.286 17.005 1.479 1.00 0.00 ATOM 677 CG ARG A 88 24.901 16.405 1.517 1.00 0.00 ATOM 678 CD ARG A 88 24.914 14.998 0.946 1.00 0.00 ATOM 679 NE ARG A 88 25.871 14.125 1.614 1.00 0.00 ATOM 680 CZ ARG A 88 26.079 12.855 1.280 1.00 0.00 ATOM 681 NH1 ARG A 88 25.396 12.310 0.282 1.00 0.00 ATOM 682 NH2 ARG A 88 26.967 12.131 1.946 1.00 0.00 ATOM 683 O ARG A 88 28.292 19.815 1.125 1.00 0.00 ATOM 684 C ARG A 88 27.701 19.135 1.985 1.00 0.00 ATOM 685 N GLY A 89 28.217 18.918 3.231 1.00 0.00 ATOM 686 CA GLY A 89 29.516 19.438 3.630 1.00 0.00 ATOM 687 O GLY A 89 30.521 21.613 3.763 1.00 0.00 ATOM 688 C GLY A 89 29.497 20.940 3.908 1.00 0.00 ATOM 689 N LEU A 90 28.341 21.461 4.310 1.00 0.00 ATOM 690 CA LEU A 90 28.204 22.883 4.617 1.00 0.00 ATOM 691 CB LEU A 90 27.328 23.564 3.563 1.00 0.00 ATOM 692 CG LEU A 90 27.897 23.623 2.144 1.00 0.00 ATOM 693 CD1 LEU A 90 26.848 24.129 1.165 1.00 0.00 ATOM 694 CD2 LEU A 90 29.094 24.558 2.083 1.00 0.00 ATOM 695 O LEU A 90 27.145 24.255 6.270 1.00 0.00 ATOM 696 C LEU A 90 27.574 23.137 5.978 1.00 0.00 ATOM 697 N GLY A 91 27.512 22.100 6.805 1.00 0.00 ATOM 698 CA GLY A 91 26.942 22.251 8.128 1.00 0.00 ATOM 699 O GLY A 91 24.874 22.208 9.307 1.00 0.00 ATOM 700 C GLY A 91 25.434 22.094 8.216 1.00 0.00 ATOM 701 N VAL A 92 24.769 21.778 7.106 1.00 0.00 ATOM 702 CA VAL A 92 23.311 21.626 7.132 1.00 0.00 ATOM 703 CB VAL A 92 22.723 21.577 5.710 1.00 0.00 ATOM 704 CG1 VAL A 92 21.241 21.236 5.757 1.00 0.00 ATOM 705 CG2 VAL A 92 22.885 22.922 5.019 1.00 0.00 ATOM 706 O VAL A 92 21.950 20.396 8.687 1.00 0.00 ATOM 707 C VAL A 92 22.911 20.371 7.905 1.00 0.00 ATOM 708 N ALA A 93 23.622 19.278 7.698 1.00 0.00 ATOM 709 CA ALA A 93 23.304 18.037 8.421 1.00 0.00 ATOM 710 CB ALA A 93 24.217 16.931 7.975 1.00 0.00 ATOM 711 O ALA A 93 22.520 17.823 10.673 1.00 0.00 ATOM 712 C ALA A 93 23.388 18.260 9.921 1.00 0.00 ATOM 713 N ARG A 94 24.439 18.957 10.353 1.00 0.00 ATOM 714 CA ARG A 94 24.634 19.259 11.770 1.00 0.00 ATOM 715 CB ARG A 94 25.903 20.092 11.970 1.00 0.00 ATOM 716 CG ARG A 94 27.193 19.321 11.742 1.00 0.00 ATOM 717 CD ARG A 94 28.408 20.221 11.887 1.00 0.00 ATOM 718 NE ARG A 94 29.655 19.502 11.643 1.00 0.00 ATOM 719 CZ ARG A 94 30.857 20.071 11.634 1.00 0.00 ATOM 720 NH1 ARG A 94 31.937 19.336 11.403 1.00 0.00 ATOM 721 NH2 ARG A 94 30.975 21.373 11.854 1.00 0.00 ATOM 722 O ARG A 94 22.913 19.742 13.366 1.00 0.00 ATOM 723 C ARG A 94 23.431 20.041 12.291 1.00 0.00 ATOM 724 N TYR A 95 22.994 21.044 11.527 1.00 0.00 ATOM 725 CA TYR A 95 21.837 21.853 11.905 1.00 0.00 ATOM 726 CB TYR A 95 21.519 22.879 10.815 1.00 0.00 ATOM 727 CG TYR A 95 20.313 23.739 11.116 1.00 0.00 ATOM 728 CD1 TYR A 95 20.408 24.822 11.981 1.00 0.00 ATOM 729 CD2 TYR A 95 19.081 23.464 10.536 1.00 0.00 ATOM 730 CE1 TYR A 95 19.312 25.614 12.261 1.00 0.00 ATOM 731 CE2 TYR A 95 17.973 24.245 10.806 1.00 0.00 ATOM 732 CZ TYR A 95 18.097 25.327 11.676 1.00 0.00 ATOM 733 OH TYR A 95 17.003 26.114 11.954 1.00 0.00 ATOM 734 O TYR A 95 19.889 21.131 13.111 1.00 0.00 ATOM 735 C TYR A 95 20.598 20.987 12.115 1.00 0.00 ATOM 736 N LEU A 96 20.325 20.094 11.177 1.00 0.00 ATOM 737 CA LEU A 96 19.166 19.218 11.288 1.00 0.00 ATOM 738 CB LEU A 96 19.022 18.344 10.041 1.00 0.00 ATOM 739 CG LEU A 96 18.618 19.062 8.752 1.00 0.00 ATOM 740 CD1 LEU A 96 18.690 18.115 7.563 1.00 0.00 ATOM 741 CD2 LEU A 96 17.196 19.590 8.853 1.00 0.00 ATOM 742 O LEU A 96 18.285 18.091 13.206 1.00 0.00 ATOM 743 C LEU A 96 19.269 18.299 12.488 1.00 0.00 ATOM 744 N ILE A 97 20.450 17.737 12.712 1.00 0.00 ATOM 745 CA ILE A 97 20.618 16.829 13.843 1.00 0.00 ATOM 746 CB ILE A 97 22.003 16.154 13.825 1.00 0.00 ATOM 747 CG1 ILE A 97 22.118 15.205 12.630 1.00 0.00 ATOM 748 CG2 ILE A 97 22.222 15.354 15.100 1.00 0.00 ATOM 749 CD1 ILE A 97 23.523 14.702 12.384 1.00 0.00 ATOM 750 O ILE A 97 19.645 17.155 16.035 1.00 0.00 ATOM 751 C ILE A 97 20.412 17.590 15.158 1.00 0.00 ATOM 752 N GLY A 98 21.080 18.741 15.280 1.00 0.00 ATOM 753 CA GLY A 98 20.955 19.540 16.484 1.00 0.00 ATOM 754 O GLY A 98 19.066 19.998 17.901 1.00 0.00 ATOM 755 C GLY A 98 19.499 19.913 16.747 1.00 0.00 ATOM 756 N VAL A 99 18.738 20.155 15.687 1.00 0.00 ATOM 757 CA VAL A 99 17.336 20.493 15.847 1.00 0.00 ATOM 758 CB VAL A 99 16.710 20.836 14.481 1.00 0.00 ATOM 759 CG1 VAL A 99 15.210 21.038 14.619 1.00 0.00 ATOM 760 CG2 VAL A 99 17.319 22.113 13.923 1.00 0.00 ATOM 761 O VAL A 99 15.796 19.441 17.357 1.00 0.00 ATOM 762 C VAL A 99 16.636 19.287 16.469 1.00 0.00 ATOM 763 N MET A 100 16.998 18.086 16.016 1.00 0.00 ATOM 764 CA MET A 100 16.400 16.862 16.567 1.00 0.00 ATOM 765 CB MET A 100 16.930 15.630 15.831 1.00 0.00 ATOM 766 CG MET A 100 16.487 15.535 14.380 1.00 0.00 ATOM 767 SD MET A 100 14.695 15.407 14.208 1.00 0.00 ATOM 768 CE MET A 100 14.270 17.109 13.850 1.00 0.00 ATOM 769 O MET A 100 15.908 16.381 18.863 1.00 0.00 ATOM 770 C MET A 100 16.745 16.763 18.048 1.00 0.00 ATOM 771 N GLU A 101 17.977 17.130 18.393 1.00 0.00 ATOM 772 CA GLU A 101 18.414 17.088 19.791 1.00 0.00 ATOM 773 CB GLU A 101 19.905 17.414 19.895 1.00 0.00 ATOM 774 CG GLU A 101 20.816 16.337 19.330 1.00 0.00 ATOM 775 CD GLU A 101 22.276 16.746 19.338 1.00 0.00 ATOM 776 OE1 GLU A 101 22.568 17.898 19.719 1.00 0.00 ATOM 777 OE2 GLU A 101 23.128 15.912 18.962 1.00 0.00 ATOM 778 O GLU A 101 17.212 17.823 21.742 1.00 0.00 ATOM 779 C GLU A 101 17.620 18.102 20.607 1.00 0.00 ATOM 780 N ASN A 102 17.413 19.277 20.025 1.00 0.00 ATOM 781 CA ASN A 102 16.675 20.347 20.687 1.00 0.00 ATOM 782 CB ASN A 102 16.652 21.603 19.814 1.00 0.00 ATOM 783 CG ASN A 102 17.996 22.303 19.765 1.00 0.00 ATOM 784 ND2 ASN A 102 18.193 23.132 18.747 1.00 0.00 ATOM 785 OD1 ASN A 102 18.845 22.100 20.633 1.00 0.00 ATOM 786 O ASN A 102 14.684 20.167 22.016 1.00 0.00 ATOM 787 C ASN A 102 15.238 19.903 20.950 1.00 0.00 ATOM 788 N LEU A 103 14.639 19.223 19.978 1.00 0.00 ATOM 789 CA LEU A 103 13.276 18.736 20.137 1.00 0.00 ATOM 790 CB LEU A 103 12.776 18.110 18.834 1.00 0.00 ATOM 791 CG LEU A 103 12.537 19.071 17.669 1.00 0.00 ATOM 792 CD1 LEU A 103 12.218 18.303 16.394 1.00 0.00 ATOM 793 CD2 LEU A 103 11.371 20.001 17.968 1.00 0.00 ATOM 794 O LEU A 103 12.182 17.591 21.930 1.00 0.00 ATOM 795 C LEU A 103 13.185 17.673 21.220 1.00 0.00 ATOM 796 N ALA A 104 14.224 16.841 21.319 1.00 0.00 ATOM 797 CA ALA A 104 14.291 15.789 22.324 1.00 0.00 ATOM 798 CB ALA A 104 15.550 14.939 22.149 1.00 0.00 ATOM 799 O ALA A 104 13.597 15.937 24.623 1.00 0.00 ATOM 800 C ALA A 104 14.270 16.422 23.716 1.00 0.00 ATOM 801 N ARG A 105 14.997 17.522 23.878 1.00 0.00 ATOM 802 CA ARG A 105 15.057 18.191 25.168 1.00 0.00 ATOM 803 CB ARG A 105 16.245 19.186 25.201 1.00 0.00 ATOM 804 CG ARG A 105 17.614 18.530 25.396 1.00 0.00 ATOM 805 CD ARG A 105 18.720 19.530 25.779 1.00 0.00 ATOM 806 NE ARG A 105 18.993 20.517 24.734 1.00 0.00 ATOM 807 CZ ARG A 105 19.837 20.356 23.716 1.00 0.00 ATOM 808 NH1 ARG A 105 19.994 21.340 22.832 1.00 0.00 ATOM 809 NH2 ARG A 105 20.512 19.231 23.568 1.00 0.00 ATOM 810 O ARG A 105 13.265 18.877 26.611 1.00 0.00 ATOM 811 C ARG A 105 13.774 18.962 25.496 1.00 0.00 ATOM 812 N GLU A 106 13.241 19.688 24.516 1.00 0.00 ATOM 813 CA GLU A 106 12.029 20.466 24.720 1.00 0.00 ATOM 814 CB GLU A 106 11.729 21.311 23.480 1.00 0.00 ATOM 815 CG GLU A 106 10.501 22.195 23.599 1.00 0.00 ATOM 816 CD GLU A 106 10.522 23.063 24.845 1.00 0.00 ATOM 817 OE1 GLU A 106 11.595 23.617 25.173 1.00 0.00 ATOM 818 OE2 GLU A 106 9.462 23.198 25.492 1.00 0.00 ATOM 819 O GLU A 106 10.096 19.733 25.948 1.00 0.00 ATOM 820 C GLU A 106 10.863 19.527 25.013 1.00 0.00 ATOM 821 N GLN A 107 10.845 18.817 23.630 1.00 0.00 ATOM 822 CA GLN A 107 9.693 18.026 23.231 1.00 0.00 ATOM 823 CB GLN A 107 9.993 17.290 21.916 1.00 0.00 ATOM 824 CG GLN A 107 8.754 16.749 21.207 1.00 0.00 ATOM 825 CD GLN A 107 9.072 16.148 19.850 1.00 0.00 ATOM 826 OE1 GLN A 107 10.082 16.484 19.230 1.00 0.00 ATOM 827 NE2 GLN A 107 8.211 15.251 19.383 1.00 0.00 ATOM 828 O GLN A 107 7.956 16.970 24.509 1.00 0.00 ATOM 829 C GLN A 107 9.166 17.034 24.263 1.00 0.00 ATOM 830 N TYR A 108 10.052 16.256 24.866 1.00 0.00 ATOM 831 CA TYR A 108 9.611 15.262 25.831 1.00 0.00 ATOM 832 CB TYR A 108 9.761 13.845 25.025 1.00 0.00 ATOM 833 CG TYR A 108 9.089 12.703 25.748 1.00 0.00 ATOM 834 CD1 TYR A 108 7.693 12.622 25.811 1.00 0.00 ATOM 835 CD2 TYR A 108 9.839 11.746 26.436 1.00 0.00 ATOM 836 CE1 TYR A 108 7.062 11.622 26.560 1.00 0.00 ATOM 837 CE2 TYR A 108 9.219 10.742 27.181 1.00 0.00 ATOM 838 CZ TYR A 108 7.829 10.692 27.246 1.00 0.00 ATOM 839 OH TYR A 108 7.222 9.729 28.021 1.00 0.00 ATOM 840 O TYR A 108 9.593 14.800 28.182 1.00 0.00 ATOM 841 C TYR A 108 9.956 15.561 27.286 1.00 0.00 ATOM 842 N LYS A 109 11.533 16.495 27.056 1.00 0.00 ATOM 843 CA LYS A 109 12.047 15.804 28.230 1.00 0.00 ATOM 844 CB LYS A 109 11.752 16.450 29.524 1.00 0.00 ATOM 845 CG LYS A 109 10.368 16.908 29.777 1.00 0.00 ATOM 846 CD LYS A 109 10.352 17.571 31.149 1.00 0.00 ATOM 847 CE LYS A 109 9.009 18.175 31.480 1.00 0.00 ATOM 848 NZ LYS A 109 9.097 18.824 32.813 1.00 0.00 ATOM 849 O LYS A 109 12.039 13.470 28.821 1.00 0.00 ATOM 850 C LYS A 109 12.356 14.323 27.989 1.00 0.00 ATOM 851 N ALA A 110 12.944 14.008 26.838 1.00 0.00 ATOM 852 CA ALA A 110 13.292 12.623 26.533 1.00 0.00 ATOM 853 CB ALA A 110 13.276 12.391 25.030 1.00 0.00 ATOM 854 O ALA A 110 15.612 13.110 26.913 1.00 0.00 ATOM 855 C ALA A 110 14.690 12.308 27.065 1.00 0.00 ATOM 856 N ARG A 111 14.835 11.142 27.692 1.00 0.00 ATOM 857 CA ARG A 111 16.107 10.705 28.270 1.00 0.00 ATOM 858 CB ARG A 111 15.797 9.516 29.241 1.00 0.00 ATOM 859 CG ARG A 111 14.854 9.849 30.382 1.00 0.00 ATOM 860 CD ARG A 111 14.896 8.747 31.426 1.00 0.00 ATOM 861 NE ARG A 111 16.238 8.616 31.986 1.00 0.00 ATOM 862 CZ ARG A 111 16.678 7.551 32.649 1.00 0.00 ATOM 863 NH1 ARG A 111 15.883 6.508 32.841 1.00 0.00 ATOM 864 NH2 ARG A 111 17.921 7.530 33.117 1.00 0.00 ATOM 865 O ARG A 111 18.367 10.665 27.480 1.00 0.00 ATOM 866 C ARG A 111 17.188 10.434 27.230 1.00 0.00 ATOM 867 N LEU A 112 16.801 9.919 26.071 1.00 0.00 ATOM 868 CA LEU A 112 17.800 9.653 25.049 1.00 0.00 ATOM 869 CB LEU A 112 18.242 8.173 25.093 1.00 0.00 ATOM 870 CG LEU A 112 18.813 7.631 26.412 1.00 0.00 ATOM 871 CD1 LEU A 112 19.112 6.142 26.304 1.00 0.00 ATOM 872 CD2 LEU A 112 20.143 8.351 26.632 1.00 0.00 ATOM 873 O LEU A 112 16.076 9.808 23.397 1.00 0.00 ATOM 874 C LEU A 112 17.279 9.804 23.635 1.00 0.00 ATOM 875 N MET A 113 18.212 9.948 22.704 1.00 0.00 ATOM 876 CA MET A 113 17.892 10.120 21.299 1.00 0.00 ATOM 877 CB MET A 113 18.359 11.490 20.800 1.00 0.00 ATOM 878 CG MET A 113 18.144 11.716 19.313 1.00 0.00 ATOM 879 SD MET A 113 18.610 13.375 18.786 1.00 0.00 ATOM 880 CE MET A 113 20.392 13.296 18.952 1.00 0.00 ATOM 881 O MET A 113 19.743 8.650 20.901 1.00 0.00 ATOM 882 C MET A 113 18.625 9.017 20.542 1.00 0.00 ATOM 883 N LYS A 114 17.978 8.459 19.524 1.00 0.00 ATOM 884 CA LYS A 114 18.579 7.362 18.775 1.00 0.00 ATOM 885 CB LYS A 114 18.124 6.020 19.354 1.00 0.00 ATOM 886 CG LYS A 114 16.635 5.753 19.203 1.00 0.00 ATOM 887 CD LYS A 114 16.250 4.415 19.813 1.00 0.00 ATOM 888 CE LYS A 114 14.756 4.164 19.693 1.00 0.00 ATOM 889 NZ LYS A 114 14.376 2.818 20.209 1.00 0.00 ATOM 890 O LYS A 114 17.332 8.149 16.891 1.00 0.00 ATOM 891 C LYS A 114 18.192 7.380 17.308 1.00 0.00 ATOM 892 N ILE A 115 18.893 6.714 16.264 1.00 0.00 ATOM 893 CA ILE A 115 18.604 6.652 14.842 1.00 0.00 ATOM 894 CB ILE A 115 19.258 7.820 14.082 1.00 0.00 ATOM 895 CG1 ILE A 115 18.696 7.915 12.662 1.00 0.00 ATOM 896 CG2 ILE A 115 20.764 7.620 13.991 1.00 0.00 ATOM 897 CD1 ILE A 115 19.011 9.221 11.968 1.00 0.00 ATOM 898 O ILE A 115 19.966 4.674 14.879 1.00 0.00 ATOM 899 C ILE A 115 19.134 5.352 14.269 1.00 0.00 ATOM 900 N SER A 116 18.634 5.011 13.092 1.00 0.00 ATOM 901 CA SER A 116 19.082 3.819 12.414 1.00 0.00 ATOM 902 CB SER A 116 17.890 2.935 12.044 1.00 0.00 ATOM 903 OG SER A 116 17.256 2.421 13.203 1.00 0.00 ATOM 904 O SER A 116 19.212 5.037 10.361 1.00 0.00 ATOM 905 C SER A 116 19.763 4.241 11.115 1.00 0.00 ATOM 906 N CYS A 117 20.969 3.742 10.862 1.00 0.00 ATOM 907 CA CYS A 117 21.698 4.104 9.651 1.00 0.00 ATOM 908 CB CYS A 117 22.809 5.090 10.017 1.00 0.00 ATOM 909 SG CYS A 117 23.783 5.673 8.610 1.00 0.00 ATOM 910 O CYS A 117 22.934 2.045 9.578 1.00 0.00 ATOM 911 C CYS A 117 22.349 2.921 8.945 1.00 0.00 ATOM 912 N PHE A 118 22.131 2.845 7.636 1.00 0.00 ATOM 913 CA PHE A 118 22.689 1.777 6.806 1.00 0.00 ATOM 914 CB PHE A 118 22.306 2.002 5.331 1.00 0.00 ATOM 915 CG PHE A 118 22.688 0.876 4.413 1.00 0.00 ATOM 916 CD1 PHE A 118 21.863 -0.268 4.338 1.00 0.00 ATOM 917 CD2 PHE A 118 23.790 0.933 3.615 1.00 0.00 ATOM 918 CE1 PHE A 118 22.182 -1.322 3.481 1.00 0.00 ATOM 919 CE2 PHE A 118 24.123 -0.093 2.760 1.00 0.00 ATOM 920 CZ PHE A 118 23.307 -1.245 2.688 1.00 0.00 ATOM 921 O PHE A 118 24.886 2.747 6.879 1.00 0.00 ATOM 922 C PHE A 118 24.202 1.729 7.007 1.00 0.00 ATOM 923 N ASN A 119 24.723 0.548 7.321 1.00 0.00 ATOM 924 CA ASN A 119 26.154 0.395 7.572 1.00 0.00 ATOM 925 CB ASN A 119 26.505 -1.079 7.782 1.00 0.00 ATOM 926 CG ASN A 119 27.933 -1.278 8.251 1.00 0.00 ATOM 927 ND2 ASN A 119 28.731 -1.965 7.441 1.00 0.00 ATOM 928 OD1 ASN A 119 28.312 -0.818 9.328 1.00 0.00 ATOM 929 O ASN A 119 28.098 1.475 6.645 1.00 0.00 ATOM 930 C ASN A 119 27.043 0.895 6.438 1.00 0.00 ATOM 931 N ALA A 120 26.567 0.768 5.160 1.00 0.00 ATOM 932 CA ALA A 120 27.324 1.303 4.033 1.00 0.00 ATOM 933 CB ALA A 120 26.697 0.791 2.745 1.00 0.00 ATOM 934 O ALA A 120 28.226 3.359 3.176 1.00 0.00 ATOM 935 C ALA A 120 27.403 2.829 3.921 1.00 0.00 ATOM 936 N ASN A 121 26.452 3.528 4.683 1.00 0.00 ATOM 937 CA ASN A 121 26.456 4.984 4.605 1.00 0.00 ATOM 938 CB ASN A 121 25.103 5.547 5.045 1.00 0.00 ATOM 939 CG ASN A 121 24.994 7.043 4.823 1.00 0.00 ATOM 940 ND2 ASN A 121 24.074 7.680 5.537 1.00 0.00 ATOM 941 OD1 ASN A 121 25.729 7.615 4.019 1.00 0.00 ATOM 942 O ASN A 121 27.271 6.096 6.589 1.00 0.00 ATOM 943 C ASN A 121 27.549 5.545 5.523 1.00 0.00 ATOM 944 N ALA A 122 28.799 5.394 5.090 1.00 0.00 ATOM 945 CA ALA A 122 29.949 5.858 5.857 1.00 0.00 ATOM 946 CB ALA A 122 31.240 5.550 5.114 1.00 0.00 ATOM 947 O ALA A 122 30.332 7.776 7.212 1.00 0.00 ATOM 948 C ALA A 122 29.940 7.352 6.130 1.00 0.00 ATOM 949 N ALA A 123 29.496 8.145 5.159 1.00 0.00 ATOM 950 CA ALA A 123 29.445 9.593 5.344 1.00 0.00 ATOM 951 CB ALA A 123 28.926 10.271 4.085 1.00 0.00 ATOM 952 O ALA A 123 28.889 10.721 7.392 1.00 0.00 ATOM 953 C ALA A 123 28.522 9.946 6.506 1.00 0.00 ATOM 954 N GLY A 124 27.331 9.357 6.530 1.00 0.00 ATOM 955 CA GLY A 124 26.393 9.670 7.612 1.00 0.00 ATOM 956 O GLY A 124 26.641 9.826 9.993 1.00 0.00 ATOM 957 C GLY A 124 26.871 9.170 8.973 1.00 0.00 ATOM 958 N LEU A 125 27.485 7.992 8.999 1.00 0.00 ATOM 959 CA LEU A 125 27.988 7.428 10.250 1.00 0.00 ATOM 960 CB LEU A 125 28.610 6.053 10.006 1.00 0.00 ATOM 961 CG LEU A 125 27.641 4.923 9.653 1.00 0.00 ATOM 962 CD1 LEU A 125 28.402 3.669 9.252 1.00 0.00 ATOM 963 CD2 LEU A 125 26.756 4.582 10.843 1.00 0.00 ATOM 964 O LEU A 125 29.034 8.638 12.045 1.00 0.00 ATOM 965 C LEU A 125 29.049 8.347 10.845 1.00 0.00 ATOM 966 N LEU A 126 29.974 8.805 10.000 1.00 0.00 ATOM 967 CA LEU A 126 31.035 9.703 10.447 1.00 0.00 ATOM 968 CB LEU A 126 31.968 10.050 9.286 1.00 0.00 ATOM 969 CG LEU A 126 32.852 8.916 8.763 1.00 0.00 ATOM 970 CD1 LEU A 126 33.588 9.345 7.503 1.00 0.00 ATOM 971 CD2 LEU A 126 33.885 8.517 9.804 1.00 0.00 ATOM 972 O LEU A 126 30.935 11.536 11.991 1.00 0.00 ATOM 973 C LEU A 126 30.447 11.003 10.997 1.00 0.00 ATOM 974 N LEU A 127 29.414 11.511 10.334 1.00 0.00 ATOM 975 CA LEU A 127 28.737 12.734 10.767 1.00 0.00 ATOM 976 CB LEU A 127 27.631 13.137 9.843 1.00 0.00 ATOM 977 CG LEU A 127 28.077 13.693 8.487 1.00 0.00 ATOM 978 CD1 LEU A 127 26.886 13.781 7.548 1.00 0.00 ATOM 979 CD2 LEU A 127 28.717 15.060 8.677 1.00 0.00 ATOM 980 O LEU A 127 28.329 13.287 13.092 1.00 0.00 ATOM 981 C LEU A 127 28.121 12.495 12.163 1.00 0.00 ATOM 982 N TYR A 128 27.413 11.410 12.339 1.00 0.00 ATOM 983 CA TYR A 128 26.716 11.135 13.581 1.00 0.00 ATOM 984 CB TYR A 128 25.924 9.829 13.494 1.00 0.00 ATOM 985 CG TYR A 128 24.703 9.911 12.605 1.00 0.00 ATOM 986 CD1 TYR A 128 24.195 11.140 12.207 1.00 0.00 ATOM 987 CD2 TYR A 128 24.064 8.758 12.166 1.00 0.00 ATOM 988 CE1 TYR A 128 23.080 11.224 11.396 1.00 0.00 ATOM 989 CE2 TYR A 128 22.948 8.823 11.353 1.00 0.00 ATOM 990 CZ TYR A 128 22.458 10.071 10.969 1.00 0.00 ATOM 991 OH TYR A 128 21.348 10.152 10.160 1.00 0.00 ATOM 992 O TYR A 128 27.511 11.493 15.824 1.00 0.00 ATOM 993 C TYR A 128 27.735 10.991 14.719 1.00 0.00 ATOM 994 N THR A 129 28.824 10.268 14.474 1.00 0.00 ATOM 995 CA THR A 129 29.849 10.086 15.505 1.00 0.00 ATOM 996 CB THR A 129 31.001 9.194 15.004 1.00 0.00 ATOM 997 CG2 THR A 129 32.063 9.043 16.082 1.00 0.00 ATOM 998 OG1 THR A 129 30.494 7.898 14.667 1.00 0.00 ATOM 999 O THR A 129 30.728 11.653 17.104 1.00 0.00 ATOM 1000 C THR A 129 30.447 11.430 15.929 1.00 0.00 ATOM 1001 N GLN A 130 30.636 12.312 14.951 1.00 0.00 ATOM 1002 CA GLN A 130 31.162 13.639 15.247 1.00 0.00 ATOM 1003 CB GLN A 130 31.480 14.440 14.020 1.00 0.00 ATOM 1004 CG GLN A 130 32.773 13.994 13.347 1.00 0.00 ATOM 1005 CD GLN A 130 33.088 14.747 12.065 1.00 0.00 ATOM 1006 OE1 GLN A 130 32.485 15.782 11.762 1.00 0.00 ATOM 1007 NE2 GLN A 130 34.046 14.231 11.300 1.00 0.00 ATOM 1008 O GLN A 130 30.516 15.150 17.006 1.00 0.00 ATOM 1009 C GLN A 130 30.143 14.374 16.122 1.00 0.00 ATOM 1010 N LEU A 131 28.859 14.117 15.888 1.00 0.00 ATOM 1011 CA LEU A 131 27.815 14.763 16.669 1.00 0.00 ATOM 1012 CB LEU A 131 26.479 14.719 15.923 1.00 0.00 ATOM 1013 CG LEU A 131 26.424 15.462 14.587 1.00 0.00 ATOM 1014 CD1 LEU A 131 25.086 15.233 13.899 1.00 0.00 ATOM 1015 CD2 LEU A 131 26.600 16.958 14.797 1.00 0.00 ATOM 1016 O LEU A 131 26.726 14.654 18.812 1.00 0.00 ATOM 1017 C LEU A 131 27.567 14.160 18.055 1.00 0.00 ATOM 1018 N GLY A 132 28.297 13.093 18.378 1.00 0.00 ATOM 1019 CA GLY A 132 28.276 12.510 19.711 1.00 0.00 ATOM 1020 O GLY A 132 27.355 10.655 20.908 1.00 0.00 ATOM 1021 C GLY A 132 27.505 11.207 19.813 1.00 0.00 ATOM 1022 N TYR A 133 27.014 10.707 18.686 1.00 0.00 ATOM 1023 CA TYR A 133 26.272 9.449 18.686 1.00 0.00 ATOM 1024 CB TYR A 133 26.091 9.193 17.209 1.00 0.00 ATOM 1025 CG TYR A 133 24.689 9.664 16.902 1.00 0.00 ATOM 1026 CD1 TYR A 133 23.587 8.881 17.236 1.00 0.00 ATOM 1027 CD2 TYR A 133 24.462 10.898 16.287 1.00 0.00 ATOM 1028 CE1 TYR A 133 22.292 9.306 16.963 1.00 0.00 ATOM 1029 CE2 TYR A 133 23.164 11.336 16.010 1.00 0.00 ATOM 1030 CZ TYR A 133 22.085 10.532 16.353 1.00 0.00 ATOM 1031 OH TYR A 133 20.798 10.941 16.092 1.00 0.00 ATOM 1032 O TYR A 133 28.329 8.357 18.134 1.00 0.00 ATOM 1033 C TYR A 133 27.225 8.257 18.665 1.00 0.00 ATOM 1034 N GLN A 134 26.804 7.150 19.272 1.00 0.00 ATOM 1035 CA GLN A 134 27.613 5.936 19.327 1.00 0.00 ATOM 1036 CB GLN A 134 28.159 5.720 20.741 1.00 0.00 ATOM 1037 CG GLN A 134 29.091 6.821 21.221 1.00 0.00 ATOM 1038 CD GLN A 134 29.649 6.550 22.603 1.00 0.00 ATOM 1039 OE1 GLN A 134 29.247 5.595 23.270 1.00 0.00 ATOM 1040 NE2 GLN A 134 30.582 7.390 23.039 1.00 0.00 ATOM 1041 O GLN A 134 25.576 4.660 19.182 1.00 0.00 ATOM 1042 C GLN A 134 26.782 4.713 18.943 1.00 0.00 ATOM 1043 N PRO A 135 27.422 3.735 18.320 1.00 0.00 ATOM 1044 CA PRO A 135 26.713 2.533 17.911 1.00 0.00 ATOM 1045 CB PRO A 135 27.667 1.857 16.925 1.00 0.00 ATOM 1046 CG PRO A 135 29.024 2.323 17.340 1.00 0.00 ATOM 1047 CD PRO A 135 28.846 3.726 17.847 1.00 0.00 ATOM 1048 O PRO A 135 27.357 1.231 19.826 1.00 0.00 ATOM 1049 C PRO A 135 26.432 1.652 19.124 1.00 0.00 ATOM 1050 N ARG A 136 25.154 1.374 19.360 1.00 0.00 ATOM 1051 CA ARG A 136 24.742 0.542 20.487 1.00 0.00 ATOM 1052 CB ARG A 136 24.175 1.813 21.481 1.00 0.00 ATOM 1053 CG ARG A 136 24.450 1.785 22.966 1.00 0.00 ATOM 1054 CD ARG A 136 24.019 0.574 23.736 1.00 0.00 ATOM 1055 NE ARG A 136 23.848 0.802 25.161 1.00 0.00 ATOM 1056 CZ ARG A 136 24.748 1.026 26.096 1.00 0.00 ATOM 1057 NH1 ARG A 136 26.049 1.081 25.852 1.00 0.00 ATOM 1058 NH2 ARG A 136 24.341 1.200 27.348 1.00 0.00 ATOM 1059 O ARG A 136 24.161 -1.763 20.800 1.00 0.00 ATOM 1060 C ARG A 136 24.278 -0.827 20.008 1.00 0.00 ATOM 1061 N ALA A 137 24.021 -0.942 18.708 1.00 0.00 ATOM 1062 CA ALA A 137 23.578 -2.208 18.162 1.00 0.00 ATOM 1063 CB ALA A 137 22.146 -2.497 18.589 1.00 0.00 ATOM 1064 O ALA A 137 23.779 -1.211 15.993 1.00 0.00 ATOM 1065 C ALA A 137 23.597 -2.238 16.645 1.00 0.00 ATOM 1066 N ILE A 138 23.224 -3.380 16.083 1.00 0.00 ATOM 1067 CA ILE A 138 23.197 -3.546 14.639 1.00 0.00 ATOM 1068 CB ILE A 138 24.615 -3.764 14.078 1.00 0.00 ATOM 1069 CG1 ILE A 138 24.588 -3.772 12.548 1.00 0.00 ATOM 1070 CG2 ILE A 138 25.180 -5.091 14.558 1.00 0.00 ATOM 1071 CD1 ILE A 138 25.956 -3.656 11.913 1.00 0.00 ATOM 1072 O ILE A 138 22.443 -5.780 15.018 1.00 0.00 ATOM 1073 C ILE A 138 22.339 -4.760 14.337 1.00 0.00 ATOM 1074 N ALA A 139 21.481 -4.652 13.338 1.00 0.00 ATOM 1075 CA ALA A 139 20.608 -5.750 12.944 1.00 0.00 ATOM 1076 CB ALA A 139 19.177 -5.512 13.435 1.00 0.00 ATOM 1077 O ALA A 139 21.233 -4.986 10.763 1.00 0.00 ATOM 1078 C ALA A 139 20.597 -5.807 11.426 1.00 0.00 ATOM 1079 N GLU A 140 19.930 -6.820 10.886 1.00 0.00 ATOM 1080 CA GLU A 140 19.807 -6.973 9.443 1.00 0.00 ATOM 1081 CB GLU A 140 20.484 -8.214 8.915 1.00 0.00 ATOM 1082 CG GLU A 140 21.903 -8.451 9.367 1.00 0.00 ATOM 1083 CD GLU A 140 22.548 -9.608 8.624 1.00 0.00 ATOM 1084 OE1 GLU A 140 21.863 -10.629 8.388 1.00 0.00 ATOM 1085 OE2 GLU A 140 23.741 -9.498 8.279 1.00 0.00 ATOM 1086 O GLU A 140 17.522 -7.582 9.812 1.00 0.00 ATOM 1087 C GLU A 140 18.329 -6.995 9.091 1.00 0.00 ATOM 1088 N ARG A 141 17.980 -6.345 7.988 1.00 0.00 ATOM 1089 CA ARG A 141 16.607 -6.347 7.513 1.00 0.00 ATOM 1090 CB ARG A 141 15.964 -4.953 7.548 1.00 0.00 ATOM 1091 CG ARG A 141 16.228 -4.188 8.825 1.00 0.00 ATOM 1092 CD ARG A 141 15.443 -2.844 8.822 1.00 0.00 ATOM 1093 NE ARG A 141 14.047 -3.081 9.043 1.00 0.00 ATOM 1094 CZ ARG A 141 13.126 -2.205 8.772 1.00 0.00 ATOM 1095 NH1 ARG A 141 13.442 -1.047 8.224 1.00 0.00 ATOM 1096 NH2 ARG A 141 11.830 -2.484 9.052 1.00 0.00 ATOM 1097 O ARG A 141 17.683 -6.515 5.383 1.00 0.00 ATOM 1098 C ARG A 141 16.688 -6.781 6.053 1.00 0.00 ATOM 1099 N HIS A 142 15.648 -7.435 5.555 1.00 0.00 ATOM 1100 CA HIS A 142 15.646 -7.869 4.163 1.00 0.00 ATOM 1101 CB HIS A 142 15.675 -9.376 4.105 1.00 0.00 ATOM 1102 CG HIS A 142 14.530 -10.053 4.790 1.00 0.00 ATOM 1103 CD2 HIS A 142 13.490 -10.764 4.297 1.00 0.00 ATOM 1104 ND1 HIS A 142 14.364 -10.026 6.158 1.00 0.00 ATOM 1105 CE1 HIS A 142 13.270 -10.694 6.479 1.00 0.00 ATOM 1106 NE2 HIS A 142 12.721 -11.152 5.369 1.00 0.00 ATOM 1107 O HIS A 142 13.434 -7.005 3.899 1.00 0.00 ATOM 1108 C HIS A 142 14.532 -7.203 3.381 1.00 0.00 ATOM 1109 N ASP A 143 14.775 -6.823 2.180 1.00 0.00 ATOM 1110 CA ASP A 143 13.777 -6.193 1.323 1.00 0.00 ATOM 1111 CB ASP A 143 14.490 -5.307 0.322 1.00 0.00 ATOM 1112 CG ASP A 143 15.452 -5.954 -0.622 1.00 0.00 ATOM 1113 OD1 ASP A 143 15.615 -7.218 -0.681 1.00 0.00 ATOM 1114 OD2 ASP A 143 16.128 -5.222 -1.423 1.00 0.00 ATOM 1115 O ASP A 143 13.191 -8.484 0.929 1.00 0.00 ATOM 1116 C ASP A 143 12.905 -7.300 0.749 1.00 0.00 ATOM 1117 N PRO A 144 11.848 -6.912 0.043 1.00 0.00 ATOM 1118 CA PRO A 144 10.974 -7.903 -0.552 1.00 0.00 ATOM 1119 CB PRO A 144 9.867 -7.205 -1.204 1.00 0.00 ATOM 1120 CG PRO A 144 9.756 -5.927 -0.404 1.00 0.00 ATOM 1121 CD PRO A 144 11.177 -5.554 -0.104 1.00 0.00 ATOM 1122 O PRO A 144 11.315 -9.898 -1.832 1.00 0.00 ATOM 1123 C PRO A 144 11.715 -8.765 -1.557 1.00 0.00 ATOM 1124 N ASP A 145 12.806 -8.232 -2.101 1.00 0.00 ATOM 1125 CA ASP A 145 13.604 -8.956 -3.084 1.00 0.00 ATOM 1126 CB ASP A 145 14.244 -7.978 -4.075 1.00 0.00 ATOM 1127 CG ASP A 145 13.216 -7.181 -4.856 1.00 0.00 ATOM 1128 OD1 ASP A 145 12.244 -7.791 -5.348 1.00 0.00 ATOM 1129 OD2 ASP A 145 13.380 -5.949 -4.987 1.00 0.00 ATOM 1130 O ASP A 145 15.496 -10.436 -3.134 1.00 0.00 ATOM 1131 C ASP A 145 14.685 -9.823 -2.438 1.00 0.00 ATOM 1132 N GLY A 146 14.690 -9.869 -1.108 1.00 0.00 ATOM 1133 CA GLY A 146 15.657 -10.685 -0.391 1.00 0.00 ATOM 1134 O GLY A 146 17.942 -10.761 0.291 1.00 0.00 ATOM 1135 C GLY A 146 17.018 -10.068 -0.141 1.00 0.00 ATOM 1136 N ARG A 147 17.152 -8.773 -0.405 1.00 0.00 ATOM 1137 CA ARG A 147 18.418 -8.075 -0.205 1.00 0.00 ATOM 1138 CB ARG A 147 18.426 -6.812 -1.030 1.00 0.00 ATOM 1139 CG ARG A 147 19.669 -5.948 -0.849 1.00 0.00 ATOM 1140 CD ARG A 147 19.657 -4.820 -1.875 1.00 0.00 ATOM 1141 NE ARG A 147 18.391 -4.094 -1.838 1.00 0.00 ATOM 1142 CZ ARG A 147 17.932 -3.331 -2.824 1.00 0.00 ATOM 1143 NH1 ARG A 147 18.635 -3.191 -3.937 1.00 0.00 ATOM 1144 NH2 ARG A 147 16.770 -2.700 -2.690 1.00 0.00 ATOM 1145 O ARG A 147 17.607 -7.090 1.829 1.00 0.00 ATOM 1146 C ARG A 147 18.456 -7.797 1.300 1.00 0.00 ATOM 1147 N ARG A 148 19.380 -8.451 2.117 1.00 0.00 ATOM 1148 CA ARG A 148 19.581 -8.285 3.554 1.00 0.00 ATOM 1149 CB ARG A 148 19.787 -9.399 4.582 1.00 0.00 ATOM 1150 CG ARG A 148 18.566 -10.279 4.799 1.00 0.00 ATOM 1151 CD ARG A 148 18.820 -11.323 5.873 1.00 0.00 ATOM 1152 NE ARG A 148 17.642 -12.146 6.127 1.00 0.00 ATOM 1153 CZ ARG A 148 17.592 -13.125 7.025 1.00 0.00 ATOM 1154 NH1 ARG A 148 16.476 -13.821 7.186 1.00 0.00 ATOM 1155 NH2 ARG A 148 18.661 -13.405 7.758 1.00 0.00 ATOM 1156 O ARG A 148 21.817 -7.559 3.004 1.00 0.00 ATOM 1157 C ARG A 148 20.782 -7.352 3.651 1.00 0.00 ATOM 1158 N VAL A 149 20.621 -6.319 4.469 1.00 0.00 ATOM 1159 CA VAL A 149 21.668 -5.344 4.723 1.00 0.00 ATOM 1160 CB VAL A 149 21.378 -4.007 4.014 1.00 0.00 ATOM 1161 CG1 VAL A 149 21.320 -4.204 2.508 1.00 0.00 ATOM 1162 CG2 VAL A 149 20.044 -3.439 4.476 1.00 0.00 ATOM 1163 O VAL A 149 20.777 -5.499 6.929 1.00 0.00 ATOM 1164 C VAL A 149 21.700 -5.105 6.222 1.00 0.00 ATOM 1165 N ALA A 150 22.826 -4.372 6.683 1.00 0.00 ATOM 1166 CA ALA A 150 22.920 -4.110 8.114 1.00 0.00 ATOM 1167 CB ALA A 150 24.341 -4.370 8.591 1.00 0.00 ATOM 1168 O ALA A 150 22.951 -1.730 7.813 1.00 0.00 ATOM 1169 C ALA A 150 22.520 -2.681 8.464 1.00 0.00 ATOM 1170 N LEU A 151 21.697 -2.554 9.498 1.00 0.00 ATOM 1171 CA LEU A 151 21.253 -1.250 9.974 1.00 0.00 ATOM 1172 CB LEU A 151 19.734 -1.240 10.156 1.00 0.00 ATOM 1173 CG LEU A 151 19.127 0.044 10.727 1.00 0.00 ATOM 1174 CD1 LEU A 151 19.331 1.208 9.769 1.00 0.00 ATOM 1175 CD2 LEU A 151 17.634 -0.125 10.959 1.00 0.00 ATOM 1176 O LEU A 151 21.857 -1.930 12.163 1.00 0.00 ATOM 1177 C LEU A 151 21.946 -1.070 11.322 1.00 0.00 ATOM 1178 N ILE A 152 22.646 0.043 11.486 1.00 0.00 ATOM 1179 CA ILE A 152 23.352 0.333 12.732 1.00 0.00 ATOM 1180 CB ILE A 152 24.706 1.034 12.516 1.00 0.00 ATOM 1181 CG1 ILE A 152 25.648 0.137 11.707 1.00 0.00 ATOM 1182 CG2 ILE A 152 25.366 1.344 13.852 1.00 0.00 ATOM 1183 CD1 ILE A 152 26.909 0.835 11.248 1.00 0.00 ATOM 1184 O ILE A 152 21.885 2.207 13.092 1.00 0.00 ATOM 1185 C ILE A 152 22.470 1.236 13.590 1.00 0.00 ATOM 1186 N GLN A 153 22.317 0.881 14.860 1.00 0.00 ATOM 1187 CA GLN A 153 21.519 1.687 15.774 1.00 0.00 ATOM 1188 CB GLN A 153 20.752 0.790 16.748 1.00 0.00 ATOM 1189 CG GLN A 153 19.836 1.545 17.697 1.00 0.00 ATOM 1190 CD GLN A 153 19.054 0.620 18.609 1.00 0.00 ATOM 1191 OE1 GLN A 153 19.107 -0.601 18.465 1.00 0.00 ATOM 1192 NE2 GLN A 153 18.324 1.202 19.555 1.00 0.00 ATOM 1193 O GLN A 153 23.406 2.069 17.201 1.00 0.00 ATOM 1194 C GLN A 153 22.515 2.570 16.515 1.00 0.00 ATOM 1195 N MET A 154 22.358 3.880 16.377 1.00 0.00 ATOM 1196 CA MET A 154 23.256 4.825 17.015 1.00 0.00 ATOM 1197 CB MET A 154 23.975 5.673 15.965 1.00 0.00 ATOM 1198 CG MET A 154 24.924 4.888 15.075 1.00 0.00 ATOM 1199 SD MET A 154 25.831 5.940 13.926 1.00 0.00 ATOM 1200 CE MET A 154 26.851 6.881 15.058 1.00 0.00 ATOM 1201 O MET A 154 21.415 6.280 17.476 1.00 0.00 ATOM 1202 C MET A 154 22.420 5.710 17.917 1.00 0.00 ATOM 1203 N ASP A 155 23.070 6.022 19.124 1.00 0.00 ATOM 1204 CA ASP A 155 22.278 6.887 20.021 1.00 0.00 ATOM 1205 CB ASP A 155 21.441 6.005 20.950 1.00 0.00 ATOM 1206 CG ASP A 155 22.296 5.137 21.853 1.00 0.00 ATOM 1207 OD1 ASP A 155 23.513 5.398 21.949 1.00 0.00 ATOM 1208 OD2 ASP A 155 21.749 4.195 22.462 1.00 0.00 ATOM 1209 O ASP A 155 24.372 7.629 20.908 1.00 0.00 ATOM 1210 C ASP A 155 23.150 7.745 20.910 1.00 0.00 ATOM 1211 N LYS A 156 22.490 8.598 21.682 1.00 0.00 ATOM 1212 CA LYS A 156 23.161 9.477 22.614 1.00 0.00 ATOM 1213 CB LYS A 156 23.574 10.778 21.922 1.00 0.00 ATOM 1214 CG LYS A 156 24.412 11.703 22.789 1.00 0.00 ATOM 1215 CD LYS A 156 24.865 12.928 22.011 1.00 0.00 ATOM 1216 CE LYS A 156 25.779 13.807 22.849 1.00 0.00 ATOM 1217 NZ LYS A 156 26.215 15.022 22.106 1.00 0.00 ATOM 1218 O LYS A 156 21.027 10.111 23.516 1.00 0.00 ATOM 1219 C LYS A 156 22.196 9.789 23.746 1.00 0.00 ATOM 1220 N PRO A 157 22.712 9.743 24.967 1.00 0.00 ATOM 1221 CA PRO A 157 21.909 10.033 26.138 1.00 0.00 ATOM 1222 CB PRO A 157 22.592 9.245 27.256 1.00 0.00 ATOM 1223 CG PRO A 157 24.039 9.259 26.893 1.00 0.00 ATOM 1224 CD PRO A 157 24.093 9.195 25.393 1.00 0.00 ATOM 1225 O PRO A 157 22.977 12.167 26.298 1.00 0.00 ATOM 1226 C PRO A 157 21.931 11.531 26.385 1.00 0.00 ATOM 1227 N LEU A 158 20.692 12.082 26.691 1.00 0.00 ATOM 1228 CA LEU A 158 20.674 13.537 26.920 1.00 0.00 ATOM 1229 CB LEU A 158 19.555 14.167 26.074 1.00 0.00 ATOM 1230 CG LEU A 158 19.685 13.947 24.555 1.00 0.00 ATOM 1231 CD1 LEU A 158 18.449 14.440 23.826 1.00 0.00 ATOM 1232 CD2 LEU A 158 20.931 14.647 24.025 1.00 0.00 ATOM 1233 O LEU A 158 20.869 14.993 28.811 1.00 0.00 ATOM 1234 C LEU A 158 20.552 13.866 28.401 1.00 0.00 ATOM 1235 N GLU A 159 20.261 12.875 29.216 1.00 0.00 ATOM 1236 CA GLU A 159 20.182 13.028 30.669 1.00 0.00 ATOM 1237 CB GLU A 159 18.731 13.241 31.091 1.00 0.00 ATOM 1238 CG GLU A 159 18.060 14.415 30.395 1.00 0.00 ATOM 1239 CD GLU A 159 16.694 14.722 30.955 1.00 0.00 ATOM 1240 OE1 GLU A 159 15.948 13.786 31.291 1.00 0.00 ATOM 1241 OE2 GLU A 159 16.331 15.906 31.034 1.00 0.00 ATOM 1242 O GLU A 159 20.926 10.762 30.745 1.00 0.00 ATOM 1243 C GLU A 159 20.906 11.839 31.328 1.00 0.00 ATOM 1244 N PRO A 160 21.547 12.082 32.451 1.00 0.00 ATOM 1245 CA PRO A 160 22.244 11.051 33.187 1.00 0.00 ATOM 1246 CB PRO A 160 22.560 11.758 34.506 1.00 0.00 ATOM 1247 CG PRO A 160 22.772 13.195 34.067 1.00 0.00 ATOM 1248 CD PRO A 160 21.622 13.388 33.131 1.00 0.00 ATOM 1249 O PRO A 160 20.240 9.844 33.765 1.00 0.00 ATOM 1250 C PRO A 160 21.411 9.798 33.380 1.00 0.00 ENDMDL EXPDTA 2i6cA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i6cA ATOM 1 N MET A 1 27.298 29.500 5.487 1.00 0.00 ATOM 2 CA MET A 1 25.990 28.770 5.492 1.00 0.00 ATOM 3 CB MET A 1 26.189 27.266 5.729 1.00 0.00 ATOM 4 CG MET A 1 26.762 26.516 4.560 1.00 0.00 ATOM 5 SD MET A 1 25.626 26.465 2.974 1.00 0.00 ATOM 6 CE MET A 1 24.120 25.524 3.718 1.00 0.00 ATOM 7 O MET A 1 24.937 28.695 7.628 1.00 0.00 ATOM 8 C MET A 1 25.036 29.287 6.554 1.00 0.00 ATOM 9 N GLN A 2 24.368 30.394 6.253 1.00 0.00 ATOM 10 CA GLN A 2 23.282 30.876 7.087 1.00 0.00 ATOM 11 CB GLN A 2 22.843 32.278 6.650 1.00 0.00 ATOM 12 CG GLN A 2 23.937 33.337 6.772 1.00 0.00 ATOM 13 CD GLN A 2 24.523 33.418 8.168 1.00 0.00 ATOM 14 OE1 GLN A 2 23.793 33.402 9.162 1.00 0.00 ATOM 15 NE2 GLN A 2 25.849 33.500 8.252 1.00 0.00 ATOM 16 O GLN A 2 21.607 29.739 5.818 1.00 0.00 ATOM 17 C GLN A 2 22.144 29.881 6.926 1.00 0.00 ATOM 18 N LEU A 3 21.859 29.116 7.980 1.00 0.00 ATOM 19 CA LEU A 3 20.717 28.206 7.960 1.00 0.00 ATOM 20 CB LEU A 3 21.167 26.784 8.290 1.00 0.00 ATOM 21 CG LEU A 3 21.966 26.082 7.182 1.00 0.00 ATOM 22 CD1 LEU A 3 22.839 24.941 7.749 1.00 0.00 ATOM 23 CD2 LEU A 3 21.069 25.556 6.076 1.00 0.00 ATOM 24 O LEU A 3 19.938 29.103 10.052 1.00 0.00 ATOM 25 C LEU A 3 19.643 28.621 8.946 1.00 0.00 ATOM 26 N SER A 4 18.394 28.424 8.533 1.00 0.00 ATOM 27 CA SER A 4 17.237 28.594 9.401 1.00 0.00 ATOM 28 CB SER A 4 16.435 29.854 9.032 1.00 0.00 ATOM 29 OG SER A 4 15.913 29.770 7.726 1.00 0.00 ATOM 30 O SER A 4 16.614 26.513 8.439 1.00 0.00 ATOM 31 C SER A 4 16.376 27.360 9.290 1.00 0.00 ATOM 32 N HIS A 5 15.395 27.229 10.164 1.00 0.00 ATOM 33 CA HIS A 5 14.498 26.083 10.100 1.00 0.00 ATOM 34 CB HIS A 5 14.933 24.938 11.010 1.00 0.00 ATOM 35 CG HIS A 5 14.910 25.275 12.460 1.00 0.00 ATOM 36 CD2 HIS A 5 15.831 25.882 13.238 1.00 0.00 ATOM 37 ND1 HIS A 5 13.827 25.014 13.271 1.00 0.00 ATOM 38 CE1 HIS A 5 14.093 25.441 14.494 1.00 0.00 ATOM 39 NE2 HIS A 5 15.301 25.966 14.500 1.00 0.00 ATOM 40 O HIS A 5 12.828 27.515 11.067 1.00 0.00 ATOM 41 C HIS A 5 13.071 26.502 10.426 1.00 0.00 ATOM 42 N ARG A 6 12.140 25.678 9.978 1.00 0.00 ATOM 43 CA ARG A 6 10.721 25.830 10.276 1.00 0.00 ATOM 44 CB ARG A 6 10.103 26.939 9.410 1.00 0.00 ATOM 45 CG ARG A 6 10.332 26.750 7.939 1.00 0.00 ATOM 46 CD ARG A 6 9.436 27.694 7.149 1.00 0.00 ATOM 47 NE ARG A 6 9.710 27.614 5.718 1.00 0.00 ATOM 48 CZ ARG A 6 9.298 26.631 4.912 1.00 0.00 ATOM 49 NH1 ARG A 6 8.553 25.631 5.357 1.00 0.00 ATOM 50 NH2 ARG A 6 9.633 26.627 3.635 1.00 0.00 ATOM 51 O ARG A 6 10.577 23.657 9.321 1.00 0.00 ATOM 52 C ARG A 6 10.020 24.519 9.997 1.00 0.00 ATOM 53 N PRO A 7 8.802 24.345 10.512 1.00 0.00 ATOM 54 CA PRO A 7 8.052 23.156 10.151 1.00 0.00 ATOM 55 CB PRO A 7 6.727 23.328 10.881 1.00 0.00 ATOM 56 CG PRO A 7 7.074 24.185 12.050 1.00 0.00 ATOM 57 CD PRO A 7 8.101 25.155 11.523 1.00 0.00 ATOM 58 O PRO A 7 7.689 24.038 7.944 1.00 0.00 ATOM 59 C PRO A 7 7.869 23.038 8.637 1.00 0.00 ATOM 60 N ALA A 8 7.919 21.815 8.136 1.00 0.00 ATOM 61 CA ALA A 8 7.642 21.542 6.739 1.00 0.00 ATOM 62 CB ALA A 8 7.872 20.065 6.462 1.00 0.00 ATOM 63 O ALA A 8 5.286 21.815 7.171 1.00 0.00 ATOM 64 C ALA A 8 6.223 21.962 6.363 1.00 0.00 ATOM 65 N GLU A 9 6.073 22.434 5.131 1.00 0.00 ATOM 66 CA GLU A 9 4.796 22.910 4.617 1.00 0.00 ATOM 67 CB GLU A 9 4.883 24.424 4.355 1.00 0.00 ATOM 68 CG GLU A 9 5.046 25.209 5.656 1.00 0.00 ATOM 69 CD GLU A 9 5.319 26.695 5.504 1.00 0.00 ATOM 70 OE1 GLU A 9 5.372 27.223 4.379 1.00 0.00 ATOM 71 OE2 GLU A 9 5.478 27.352 6.542 1.00 0.00 ATOM 72 O GLU A 9 5.401 21.653 2.696 1.00 0.00 ATOM 73 C GLU A 9 4.495 22.190 3.322 1.00 0.00 ATOM 74 N THR A 10 3.240 22.194 2.879 1.00 0.00 ATOM 75 CA THR A 10 2.886 21.460 1.669 1.00 0.00 ATOM 76 CB THR A 10 1.353 21.435 1.375 1.00 0.00 ATOM 77 CG2 THR A 10 0.597 20.926 2.536 1.00 0.00 ATOM 78 OG1 THR A 10 0.887 22.737 1.080 1.00 0.00 ATOM 79 O THR A 10 4.026 21.170 -0.421 1.00 0.00 ATOM 80 C THR A 10 3.665 21.958 0.448 1.00 0.00 ATOM 81 N GLY A 11 3.973 23.251 0.402 1.00 0.00 ATOM 82 CA GLY A 11 4.750 23.808 -0.689 1.00 0.00 ATOM 83 O GLY A 11 6.827 23.469 -1.810 1.00 0.00 ATOM 84 C GLY A 11 6.187 23.320 -0.763 1.00 0.00 ATOM 85 N ASP A 12 6.690 22.727 0.324 1.00 0.00 ATOM 86 CA ASP A 12 8.046 22.189 0.334 1.00 0.00 ATOM 87 CB ASP A 12 8.578 22.111 1.758 1.00 0.00 ATOM 88 CG ASP A 12 8.563 23.415 2.500 1.00 0.00 ATOM 89 OD1 ASP A 12 8.852 24.471 1.907 1.00 0.00 ATOM 90 OD2 ASP A 12 8.357 23.347 3.737 1.00 0.00 ATOM 91 O ASP A 12 9.191 20.279 -0.501 1.00 0.00 ATOM 92 C ASP A 12 8.105 20.773 -0.246 1.00 0.00 ATOM 93 N LEU A 13 6.970 20.083 -0.383 1.00 0.00 ATOM 94 CA LEU A 13 6.962 18.647 -0.702 1.00 0.00 ATOM 95 CB LEU A 13 5.527 18.119 -0.716 1.00 0.00 ATOM 96 CG LEU A 13 4.732 18.113 0.587 1.00 0.00 ATOM 97 CD1 LEU A 13 3.267 17.785 0.281 1.00 0.00 ATOM 98 CD2 LEU A 13 5.282 17.115 1.552 1.00 0.00 ATOM 99 O LEU A 13 8.415 17.321 -1.980 1.00 0.00 ATOM 100 C LEU A 13 7.661 18.279 -1.966 1.00 0.00 ATOM 101 N GLU A 14 7.397 19.025 -3.035 1.00 0.00 ATOM 102 CA GLU A 14 7.977 18.692 -4.336 1.00 0.00 ATOM 103 CB GLU A 14 7.411 19.631 -5.403 1.00 0.00 ATOM 104 CG GLU A 14 7.939 19.499 -6.792 1.00 0.00 ATOM 105 CD GLU A 14 7.491 20.663 -7.656 1.00 0.00 ATOM 106 OE1 GLU A 14 6.290 20.726 -7.973 1.00 0.00 ATOM 107 OE2 GLU A 14 8.327 21.532 -8.001 1.00 0.00 ATOM 108 O GLU A 14 10.203 17.859 -4.755 1.00 0.00 ATOM 109 C GLU A 14 9.504 18.760 -4.265 1.00 0.00 ATOM 110 N THR A 15 10.027 19.813 -3.638 1.00 0.00 ATOM 111 CA THR A 15 11.472 19.976 -3.519 1.00 0.00 ATOM 112 CB THR A 15 11.786 21.331 -2.881 1.00 0.00 ATOM 113 CG2 THR A 15 13.271 21.518 -2.670 1.00 0.00 ATOM 114 OG1 THR A 15 11.268 22.366 -3.734 1.00 0.00 ATOM 115 O THR A 15 13.058 18.186 -3.129 1.00 0.00 ATOM 116 C THR A 15 12.096 18.836 -2.696 1.00 0.00 ATOM 117 N VAL A 16 11.514 18.547 -1.537 1.00 0.00 ATOM 118 CA VAL A 16 12.057 17.507 -0.668 1.00 0.00 ATOM 119 CB VAL A 16 11.351 17.509 0.702 1.00 0.00 ATOM 120 CG1 VAL A 16 11.841 16.365 1.564 1.00 0.00 ATOM 121 CG2 VAL A 16 11.657 18.805 1.420 1.00 0.00 ATOM 122 O VAL A 16 12.897 15.323 -1.224 1.00 0.00 ATOM 123 C VAL A 16 11.971 16.140 -1.324 1.00 0.00 ATOM 124 N ALA A 17 10.863 15.869 -1.991 1.00 0.00 ATOM 125 CA ALA A 17 10.721 14.577 -2.659 1.00 0.00 ATOM 126 CB ALA A 17 9.313 14.401 -3.184 1.00 0.00 ATOM 127 O ALA A 17 11.984 13.240 -4.155 1.00 0.00 ATOM 128 C ALA A 17 11.728 14.374 -3.777 1.00 0.00 ATOM 129 N GLY A 18 12.318 15.461 -4.253 1.00 0.00 ATOM 130 CA GLY A 18 13.383 15.378 -5.232 1.00 0.00 ATOM 131 O GLY A 18 15.708 14.897 -5.440 1.00 0.00 ATOM 132 C GLY A 18 14.765 15.077 -4.670 1.00 0.00 ATOM 133 N PHE A 19 14.920 15.038 -3.342 1.00 0.00 ATOM 134 CA PHE A 19 16.253 14.880 -2.763 1.00 0.00 ATOM 135 CB PHE A 19 16.268 15.241 -1.257 1.00 0.00 ATOM 136 CG PHE A 19 16.060 16.705 -0.927 1.00 0.00 ATOM 137 CD1 PHE A 19 16.066 17.695 -1.888 1.00 0.00 ATOM 138 CD2 PHE A 19 15.885 17.074 0.391 1.00 0.00 ATOM 139 CE1 PHE A 19 15.891 19.034 -1.526 1.00 0.00 ATOM 140 CE2 PHE A 19 15.710 18.428 0.775 1.00 0.00 ATOM 141 CZ PHE A 19 15.724 19.432 -0.230 1.00 0.00 ATOM 142 O PHE A 19 18.077 13.440 -3.357 1.00 0.00 ATOM 143 C PHE A 19 16.910 13.496 -2.981 1.00 0.00 ATOM 144 N PRO A 20 16.169 12.394 -2.774 1.00 0.00 ATOM 145 CA PRO A 20 16.816 11.083 -3.031 1.00 0.00 ATOM 146 CB PRO A 20 15.794 10.072 -2.527 1.00 0.00 ATOM 147 CG PRO A 20 14.864 10.854 -1.584 1.00 0.00 ATOM 148 CD PRO A 20 14.822 12.254 -2.193 1.00 0.00 ATOM 149 O PRO A 20 16.217 10.982 -5.345 1.00 0.00 ATOM 150 C PRO A 20 17.109 10.865 -4.516 1.00 0.00 ATOM 151 N GLN A 21 18.343 10.498 -4.834 1.00 0.00 ATOM 152 CA GLN A 21 18.766 10.462 -6.240 1.00 0.00 ATOM 153 CB GLN A 21 20.193 11.010 -6.362 1.00 0.00 ATOM 154 CG GLN A 21 20.279 12.471 -5.999 1.00 0.00 ATOM 155 CD GLN A 21 19.345 13.317 -6.838 1.00 0.00 ATOM 156 OE1 GLN A 21 19.542 13.468 -8.051 1.00 0.00 ATOM 157 NE2 GLN A 21 18.337 13.913 -6.192 1.00 0.00 ATOM 158 O GLN A 21 18.781 9.050 -8.132 1.00 0.00 ATOM 159 C GLN A 21 18.676 9.121 -6.909 1.00 0.00 ATOM 160 N ASP A 22 18.519 8.052 -6.134 1.00 0.00 ATOM 161 CA ASP A 22 18.407 6.709 -6.693 1.00 0.00 ATOM 162 CB ASP A 22 19.785 6.169 -7.129 1.00 0.00 ATOM 163 CG ASP A 22 20.786 6.124 -6.009 1.00 0.00 ATOM 164 OD1 ASP A 22 20.463 5.562 -4.958 1.00 0.00 ATOM 165 OD2 ASP A 22 21.927 6.621 -6.194 1.00 0.00 ATOM 166 O ASP A 22 17.455 6.252 -4.542 1.00 0.00 ATOM 167 C ASP A 22 17.733 5.820 -5.663 1.00 0.00 ATOM 168 N ARG A 23 17.439 4.593 -6.066 1.00 0.00 ATOM 169 CA ARG A 23 16.753 3.605 -5.228 1.00 0.00 ATOM 170 CB ARG A 23 16.717 2.266 -5.954 1.00 0.00 ATOM 171 CG ARG A 23 15.743 2.228 -7.053 1.00 0.00 ATOM 172 CD ARG A 23 16.076 1.151 -8.057 1.00 0.00 ATOM 173 NE ARG A 23 14.986 0.995 -9.015 1.00 0.00 ATOM 174 CZ ARG A 23 14.811 1.735 -10.109 1.00 0.00 ATOM 175 NH1 ARG A 23 15.664 2.693 -10.434 1.00 0.00 ATOM 176 NH2 ARG A 23 13.766 1.499 -10.889 1.00 0.00 ATOM 177 O ARG A 23 16.760 3.210 -2.892 1.00 0.00 ATOM 178 C ARG A 23 17.426 3.365 -3.907 1.00 0.00 ATOM 179 N ASP A 24 18.751 3.286 -3.939 1.00 0.00 ATOM 180 CA ASP A 24 19.533 3.094 -2.723 1.00 0.00 ATOM 181 CB ASP A 24 21.007 2.860 -3.063 1.00 0.00 ATOM 182 CG ASP A 24 21.254 1.489 -3.658 1.00 0.00 ATOM 183 OD1 ASP A 24 20.416 0.588 -3.445 1.00 0.00 ATOM 184 OD2 ASP A 24 22.286 1.310 -4.340 1.00 0.00 ATOM 185 O ASP A 24 19.285 4.099 -0.559 1.00 0.00 ATOM 186 C ASP A 24 19.400 4.278 -1.772 1.00 0.00 ATOM 187 N GLU A 25 19.416 5.489 -2.322 1.00 0.00 ATOM 188 CA GLU A 25 19.346 6.696 -1.503 1.00 0.00 ATOM 189 CB GLU A 25 19.650 7.946 -2.335 1.00 0.00 ATOM 190 CG GLU A 25 21.137 8.146 -2.634 1.00 0.00 ATOM 191 CD GLU A 25 21.466 9.576 -3.019 1.00 0.00 ATOM 192 OE1 GLU A 25 20.538 10.410 -3.065 1.00 0.00 ATOM 193 OE2 GLU A 25 22.654 9.866 -3.274 1.00 0.00 ATOM 194 O GLU A 25 17.846 7.303 0.267 1.00 0.00 ATOM 195 C GLU A 25 17.970 6.834 -0.863 1.00 0.00 ATOM 196 N LEU A 26 16.938 6.428 -1.595 1.00 0.00 ATOM 197 CA LEU A 26 15.577 6.463 -1.078 1.00 0.00 ATOM 198 CB LEU A 26 14.575 6.207 -2.204 1.00 0.00 ATOM 199 CG LEU A 26 13.103 6.164 -1.793 1.00 0.00 ATOM 200 CD1 LEU A 26 12.681 7.481 -1.149 1.00 0.00 ATOM 201 CD2 LEU A 26 12.234 5.852 -2.999 1.00 0.00 ATOM 202 O LEU A 26 14.654 5.649 0.982 1.00 0.00 ATOM 203 C LEU A 26 15.395 5.426 0.025 1.00 0.00 ATOM 204 N PHE A 27 16.078 4.294 -0.114 1.00 0.00 ATOM 205 CA PHE A 27 15.949 3.204 0.846 1.00 0.00 ATOM 206 CB PHE A 27 16.631 1.938 0.319 1.00 0.00 ATOM 207 CG PHE A 27 16.766 0.853 1.349 1.00 0.00 ATOM 208 CD1 PHE A 27 15.645 0.214 1.851 1.00 0.00 ATOM 209 CD2 PHE A 27 18.013 0.475 1.819 1.00 0.00 ATOM 210 CE1 PHE A 27 15.765 -0.783 2.801 1.00 0.00 ATOM 211 CE2 PHE A 27 18.139 -0.522 2.768 1.00 0.00 ATOM 212 CZ PHE A 27 17.013 -1.151 3.259 1.00 0.00 ATOM 213 O PHE A 27 16.022 3.265 3.244 1.00 0.00 ATOM 214 C PHE A 27 16.561 3.593 2.188 1.00 0.00 ATOM 215 N TYR A 28 17.691 4.292 2.139 1.00 0.00 ATOM 216 CA TYR A 28 18.292 4.855 3.342 1.00 0.00 ATOM 217 CB TYR A 28 19.672 5.438 3.025 1.00 0.00 ATOM 218 CG TYR A 28 20.571 4.516 2.228 1.00 0.00 ATOM 219 CD1 TYR A 28 20.527 3.138 2.404 1.00 0.00 ATOM 220 CD2 TYR A 28 21.469 5.027 1.300 1.00 0.00 ATOM 221 CE1 TYR A 28 21.350 2.296 1.678 1.00 0.00 ATOM 222 CE2 TYR A 28 22.296 4.193 0.569 1.00 0.00 ATOM 223 CZ TYR A 28 22.232 2.830 0.763 1.00 0.00 ATOM 224 OH TYR A 28 23.051 1.995 0.038 1.00 0.00 ATOM 225 O TYR A 28 17.249 6.024 5.158 1.00 0.00 ATOM 226 C TYR A 28 17.397 5.936 3.940 1.00 0.00 ATOM 227 N CYS A 29 16.805 6.755 3.079 1.00 0.00 ATOM 228 CA CYS A 29 16.047 7.917 3.527 1.00 0.00 ATOM 229 CB CYS A 29 15.797 8.869 2.356 1.00 0.00 ATOM 230 SG CYS A 29 17.292 9.655 1.710 1.00 0.00 ATOM 231 O CYS A 29 14.152 8.205 4.971 1.00 0.00 ATOM 232 C CYS A 29 14.719 7.491 4.144 1.00 0.00 ATOM 233 N TYR A 30 14.228 6.324 3.738 1.00 0.00 ATOM 234 CA TYR A 30 12.839 5.951 3.981 1.00 0.00 ATOM 235 CB TYR A 30 11.904 6.941 3.274 1.00 0.00 ATOM 236 CG TYR A 30 10.421 6.815 3.597 1.00 0.00 ATOM 237 CD1 TYR A 30 9.933 5.838 4.464 1.00 0.00 ATOM 238 CD2 TYR A 30 9.505 7.688 3.022 1.00 0.00 ATOM 239 CE1 TYR A 30 8.578 5.745 4.742 1.00 0.00 ATOM 240 CE2 TYR A 30 8.154 7.598 3.297 1.00 0.00 ATOM 241 CZ TYR A 30 7.697 6.625 4.156 1.00 0.00 ATOM 242 OH TYR A 30 6.352 6.533 4.431 1.00 0.00 ATOM 243 O TYR A 30 12.181 4.364 2.308 1.00 0.00 ATOM 244 C TYR A 30 12.594 4.540 3.453 1.00 0.00 ATOM 245 N PRO A 31 12.866 3.538 4.283 1.00 0.00 ATOM 246 CA PRO A 31 12.922 2.148 3.816 1.00 0.00 ATOM 247 CB PRO A 31 13.244 1.376 5.094 1.00 0.00 ATOM 248 CG PRO A 31 14.170 2.316 5.838 1.00 0.00 ATOM 249 CD PRO A 31 13.555 3.705 5.577 1.00 0.00 ATOM 250 O PRO A 31 11.631 0.805 2.319 1.00 0.00 ATOM 251 C PRO A 31 11.610 1.656 3.207 1.00 0.00 ATOM 252 N LYS A 32 10.486 2.185 3.682 1.00 0.00 ATOM 253 CA LYS A 32 9.176 1.665 3.298 1.00 0.00 ATOM 254 CB LYS A 32 8.135 1.969 4.379 1.00 0.00 ATOM 255 CG LYS A 32 8.287 1.139 5.650 1.00 0.00 ATOM 256 CD LYS A 32 7.021 1.188 6.503 1.00 0.00 ATOM 257 CE LYS A 32 6.596 2.615 6.838 1.00 0.00 ATOM 258 NZ LYS A 32 7.655 3.387 7.566 1.00 0.00 ATOM 259 O LYS A 32 7.826 1.748 1.313 1.00 0.00 ATOM 260 C LYS A 32 8.726 2.269 1.972 1.00 0.00 ATOM 261 N ALA A 33 9.357 3.374 1.590 1.00 0.00 ATOM 262 CA ALA A 33 9.030 4.057 0.344 1.00 0.00 ATOM 263 CB ALA A 33 9.869 5.322 0.202 1.00 0.00 ATOM 264 O ALA A 33 10.008 2.165 -0.766 1.00 0.00 ATOM 265 C ALA A 33 9.256 3.135 -0.851 1.00 0.00 ATOM 266 N ILE A 34 8.596 3.446 -1.961 1.00 0.00 ATOM 267 CA ILE A 34 8.839 2.750 -3.219 1.00 0.00 ATOM 268 CB ILE A 34 7.571 2.015 -3.699 1.00 0.00 ATOM 269 CG1 ILE A 34 7.115 1.007 -2.639 1.00 0.00 ATOM 270 CG2 ILE A 34 7.841 1.307 -5.028 1.00 0.00 ATOM 271 CD1 ILE A 34 5.837 0.273 -2.992 1.00 0.00 ATOM 272 O ILE A 34 8.541 4.682 -4.615 1.00 0.00 ATOM 273 C ILE A 34 9.274 3.746 -4.296 1.00 0.00 ATOM 274 N TRP A 35 10.467 3.548 -4.851 1.00 0.00 ATOM 275 CA TRP A 35 10.913 4.308 -6.016 1.00 0.00 ATOM 276 CB TRP A 35 12.291 3.809 -6.460 1.00 0.00 ATOM 277 CG TRP A 35 12.943 4.657 -7.507 1.00 0.00 ATOM 278 CD1 TRP A 35 12.896 4.472 -8.858 1.00 0.00 ATOM 279 CD2 TRP A 35 13.754 5.818 -7.291 1.00 0.00 ATOM 280 CE2 TRP A 35 14.159 6.287 -8.555 1.00 0.00 ATOM 281 CE3 TRP A 35 14.174 6.508 -6.149 1.00 0.00 ATOM 282 NE1 TRP A 35 13.622 5.448 -9.496 1.00 0.00 ATOM 283 CZ2 TRP A 35 14.963 7.414 -8.712 1.00 0.00 ATOM 284 CZ3 TRP A 35 14.972 7.627 -6.306 1.00 0.00 ATOM 285 CH2 TRP A 35 15.358 8.069 -7.578 1.00 0.00 ATOM 286 O TRP A 35 9.331 3.067 -7.317 1.00 0.00 ATOM 287 C TRP A 35 9.909 4.142 -7.153 1.00 0.00 ATOM 288 N PRO A 36 9.700 5.192 -7.945 1.00 0.00 ATOM 289 CA PRO A 36 10.144 6.541 -7.636 1.00 0.00 ATOM 290 CB PRO A 36 9.913 7.287 -8.956 1.00 0.00 ATOM 291 CG PRO A 36 8.754 6.612 -9.521 1.00 0.00 ATOM 292 CD PRO A 36 8.916 5.162 -9.197 1.00 0.00 ATOM 293 O PRO A 36 8.213 6.950 -6.285 1.00 0.00 ATOM 294 C PRO A 36 9.382 7.206 -6.504 1.00 0.00 ATOM 295 N PHE A 37 10.089 8.045 -5.769 1.00 0.00 ATOM 296 CA PHE A 37 9.490 8.784 -4.675 1.00 0.00 ATOM 297 CB PHE A 37 10.585 9.423 -3.826 1.00 0.00 ATOM 298 CG PHE A 37 10.175 9.766 -2.403 1.00 0.00 ATOM 299 CD1 PHE A 37 9.338 8.951 -1.641 1.00 0.00 ATOM 300 CD2 PHE A 37 10.677 10.928 -1.816 1.00 0.00 ATOM 301 CE1 PHE A 37 9.041 9.302 -0.332 1.00 0.00 ATOM 302 CE2 PHE A 37 10.376 11.264 -0.516 1.00 0.00 ATOM 303 CZ PHE A 37 9.549 10.464 0.221 1.00 0.00 ATOM 304 O PHE A 37 8.580 10.133 -6.444 1.00 0.00 ATOM 305 C PHE A 37 8.534 9.805 -5.247 1.00 0.00 ATOM 306 N SER A 38 7.631 10.268 -4.407 1.00 0.00 ATOM 307 CA SER A 38 6.570 11.173 -4.827 1.00 0.00 ATOM 308 CB SER A 38 5.380 10.378 -5.370 1.00 0.00 ATOM 309 OG SER A 38 4.761 9.619 -4.345 1.00 0.00 ATOM 310 O SER A 38 6.304 11.632 -2.488 1.00 0.00 ATOM 311 C SER A 38 6.124 12.001 -3.650 1.00 0.00 ATOM 312 N VAL A 39 5.491 13.113 -3.955 1.00 0.00 ATOM 313 CA VAL A 39 4.947 13.939 -2.918 1.00 0.00 ATOM 314 CB VAL A 39 4.383 15.276 -3.481 1.00 0.00 ATOM 315 CG1 VAL A 39 5.492 16.129 -4.012 1.00 0.00 ATOM 316 CG2 VAL A 39 3.271 15.073 -4.510 1.00 0.00 ATOM 317 O VAL A 39 3.796 13.435 -0.886 1.00 0.00 ATOM 318 C VAL A 39 3.896 13.198 -2.089 1.00 0.00 ATOM 319 N ALA A 40 3.110 12.313 -2.689 1.00 0.00 ATOM 320 CA ALA A 40 2.088 11.589 -1.932 1.00 0.00 ATOM 321 CB ALA A 40 1.181 10.796 -2.852 1.00 0.00 ATOM 322 O ALA A 40 2.285 10.596 0.249 1.00 0.00 ATOM 323 C ALA A 40 2.748 10.677 -0.895 1.00 0.00 ATOM 324 N GLN A 41 3.825 9.985 -1.270 1.00 0.00 ATOM 325 CA GLN A 41 4.530 9.151 -0.291 1.00 0.00 ATOM 326 CB GLN A 41 5.634 8.323 -0.936 1.00 0.00 ATOM 327 CG GLN A 41 5.127 7.238 -1.885 1.00 0.00 ATOM 328 CD GLN A 41 6.261 6.363 -2.375 1.00 0.00 ATOM 329 OE1 GLN A 41 6.844 5.626 -1.606 1.00 0.00 ATOM 330 NE2 GLN A 41 6.636 6.503 -3.646 1.00 0.00 ATOM 331 O GLN A 41 5.127 9.583 1.994 1.00 0.00 ATOM 332 C GLN A 41 5.150 9.983 0.821 1.00 0.00 ATOM 333 N LEU A 42 5.709 11.146 0.472 1.00 0.00 ATOM 334 CA LEU A 42 6.275 12.030 1.476 1.00 0.00 ATOM 335 CB LEU A 42 7.042 13.170 0.815 1.00 0.00 ATOM 336 CG LEU A 42 7.693 14.171 1.747 1.00 0.00 ATOM 337 CD1 LEU A 42 8.668 13.507 2.704 1.00 0.00 ATOM 338 CD2 LEU A 42 8.393 15.264 0.965 1.00 0.00 ATOM 339 O LEU A 42 5.375 12.562 3.674 1.00 0.00 ATOM 340 C LEU A 42 5.191 12.550 2.440 1.00 0.00 ATOM 341 N ALA A 43 4.059 12.962 1.893 1.00 0.00 ATOM 342 CA ALA A 43 2.987 13.461 2.738 1.00 0.00 ATOM 343 CB ALA A 43 1.852 14.030 1.903 1.00 0.00 ATOM 344 O ALA A 43 2.143 12.640 4.827 1.00 0.00 ATOM 345 C ALA A 43 2.466 12.360 3.669 1.00 0.00 ATOM 346 N ALA A 44 2.423 11.118 3.199 1.00 0.00 ATOM 347 CA ALA A 44 1.953 10.014 4.041 1.00 0.00 ATOM 348 CB ALA A 44 1.807 8.763 3.231 1.00 0.00 ATOM 349 O ALA A 44 2.527 9.515 6.323 1.00 0.00 ATOM 350 C ALA A 44 2.931 9.788 5.188 1.00 0.00 ATOM 351 N ALA A 45 4.222 9.915 4.907 1.00 0.00 ATOM 352 CA ALA A 45 5.226 9.805 5.976 1.00 0.00 ATOM 353 CB ALA A 45 6.610 9.878 5.422 1.00 0.00 ATOM 354 O ALA A 45 5.094 10.608 8.211 1.00 0.00 ATOM 355 C ALA A 45 5.062 10.888 7.004 1.00 0.00 ATOM 356 N ILE A 46 4.876 12.118 6.550 1.00 0.00 ATOM 357 CA ILE A 46 4.735 13.257 7.445 1.00 0.00 ATOM 358 CB ILE A 46 4.612 14.562 6.657 1.00 0.00 ATOM 359 CG1 ILE A 46 5.969 14.921 6.041 1.00 0.00 ATOM 360 CG2 ILE A 46 4.093 15.702 7.518 1.00 0.00 ATOM 361 CD1 ILE A 46 5.888 16.040 5.010 1.00 0.00 ATOM 362 O ILE A 46 3.598 13.253 9.577 1.00 0.00 ATOM 363 C ILE A 46 3.525 13.043 8.356 1.00 0.00 ATOM 364 N ALA A 47 2.420 12.579 7.800 1.00 0.00 ATOM 365 CA ALA A 47 1.204 12.383 8.588 1.00 0.00 ATOM 366 CB ALA A 47 0.051 12.014 7.675 1.00 0.00 ATOM 367 O ALA A 47 0.663 11.373 10.689 1.00 0.00 ATOM 368 C ALA A 47 1.378 11.323 9.680 1.00 0.00 ATOM 369 N GLU A 48 2.264 10.353 9.479 1.00 0.00 ATOM 370 CA GLU A 48 2.530 9.256 10.435 1.00 0.00 ATOM 371 CB GLU A 48 3.016 8.013 9.669 1.00 0.00 ATOM 372 CG GLU A 48 1.991 7.299 8.842 1.00 0.00 ATOM 373 CD GLU A 48 2.513 5.975 8.367 1.00 0.00 ATOM 374 OE1 GLU A 48 3.703 5.908 7.974 1.00 0.00 ATOM 375 OE2 GLU A 48 1.749 4.986 8.413 1.00 0.00 ATOM 376 O GLU A 48 3.911 8.751 12.341 1.00 0.00 ATOM 377 C GLU A 48 3.627 9.574 11.446 1.00 0.00 ATOM 378 N ARG A 49 4.280 10.725 11.289 1.00 0.00 ATOM 379 CA ARG A 49 5.479 11.057 12.056 1.00 0.00 ATOM 380 CB ARG A 49 6.666 11.086 11.105 1.00 0.00 ATOM 381 CG ARG A 49 6.982 9.710 10.614 1.00 0.00 ATOM 382 CD ARG A 49 8.018 9.705 9.590 1.00 0.00 ATOM 383 NE ARG A 49 8.114 8.333 9.189 1.00 0.00 ATOM 384 CZ ARG A 49 9.206 7.727 8.823 1.00 0.00 ATOM 385 NH1 ARG A 49 10.353 8.373 8.808 1.00 0.00 ATOM 386 NH2 ARG A 49 9.106 6.429 8.497 1.00 0.00 ATOM 387 O ARG A 49 4.179 12.871 12.918 1.00 0.00 ATOM 388 C ARG A 49 5.283 12.340 12.841 1.00 0.00 ATOM 389 N ARG A 50 6.345 12.811 13.485 1.00 0.00 ATOM 390 CA ARG A 50 6.307 14.034 14.250 1.00 0.00 ATOM 391 CB ARG A 50 6.285 13.768 15.778 1.00 0.00 ATOM 392 CG ARG A 50 5.093 13.017 16.278 1.00 0.00 ATOM 393 CD ARG A 50 3.841 13.858 16.242 1.00 0.00 ATOM 394 NE ARG A 50 2.721 13.102 16.819 1.00 0.00 ATOM 395 CZ ARG A 50 1.958 12.230 16.151 1.00 0.00 ATOM 396 NH1 ARG A 50 2.154 11.962 14.860 1.00 0.00 ATOM 397 NH2 ARG A 50 0.976 11.599 16.783 1.00 0.00 ATOM 398 O ARG A 50 8.572 14.373 13.609 1.00 0.00 ATOM 399 C ARG A 50 7.505 14.877 13.944 1.00 0.00 ATOM 400 N GLY A 51 7.356 16.176 14.092 1.00 0.00 ATOM 401 CA GLY A 51 8.489 17.060 14.034 1.00 0.00 ATOM 402 O GLY A 51 10.265 17.598 12.556 1.00 0.00 ATOM 403 C GLY A 51 9.082 17.294 12.650 1.00 0.00 ATOM 404 N SER A 52 8.287 17.167 11.583 1.00 0.00 ATOM 405 CA SER A 52 8.791 17.352 10.220 1.00 0.00 ATOM 406 CB SER A 52 7.773 16.912 9.163 1.00 0.00 ATOM 407 OG SER A 52 7.712 15.489 9.080 1.00 0.00 ATOM 408 O SER A 52 8.401 19.700 10.121 1.00 0.00 ATOM 409 C SER A 52 9.221 18.782 10.018 1.00 0.00 ATOM 410 N THR A 53 10.511 18.952 9.727 1.00 0.00 ATOM 411 CA THR A 53 11.221 20.242 9.774 1.00 0.00 ATOM 412 CB THR A 53 12.149 20.272 11.005 1.00 0.00 ATOM 413 CG2 THR A 53 12.891 21.568 11.145 1.00 0.00 ATOM 414 OG1 THR A 53 11.368 20.051 12.180 1.00 0.00 ATOM 415 O THR A 53 12.697 19.409 8.069 1.00 0.00 ATOM 416 C THR A 53 12.064 20.383 8.497 1.00 0.00 ATOM 417 N VAL A 54 12.108 21.579 7.920 1.00 0.00 ATOM 418 CA VAL A 54 13.015 21.864 6.841 1.00 0.00 ATOM 419 CB VAL A 54 12.286 22.426 5.583 1.00 0.00 ATOM 420 CG1 VAL A 54 11.390 21.361 4.953 1.00 0.00 ATOM 421 CG2 VAL A 54 11.496 23.698 5.892 1.00 0.00 ATOM 422 O VAL A 54 13.886 23.691 8.173 1.00 0.00 ATOM 423 C VAL A 54 14.097 22.850 7.282 1.00 0.00 ATOM 424 N ALA A 55 15.264 22.720 6.647 1.00 0.00 ATOM 425 CA ALA A 55 16.357 23.660 6.767 1.00 0.00 ATOM 426 CB ALA A 55 17.675 22.923 6.986 1.00 0.00 ATOM 427 O ALA A 55 16.367 23.904 4.408 1.00 0.00 ATOM 428 C ALA A 55 16.441 24.475 5.491 1.00 0.00 ATOM 429 N VAL A 56 16.629 25.788 5.649 1.00 0.00 ATOM 430 CA VAL A 56 16.577 26.757 4.570 1.00 0.00 ATOM 431 CB VAL A 56 15.328 27.682 4.752 1.00 0.00 ATOM 432 CG1 VAL A 56 15.291 28.780 3.692 1.00 0.00 ATOM 433 CG2 VAL A 56 14.051 26.870 4.719 1.00 0.00 ATOM 434 O VAL A 56 18.347 28.027 5.589 1.00 0.00 ATOM 435 C VAL A 56 17.867 27.585 4.550 1.00 0.00 ATOM 436 N HIS A 57 18.423 27.769 3.362 1.00 0.00 ATOM 437 CA HIS A 57 19.565 28.665 3.183 1.00 0.00 ATOM 438 CB HIS A 57 20.860 27.852 3.138 1.00 0.00 ATOM 439 CG HIS A 57 22.032 28.593 2.569 1.00 0.00 ATOM 440 CD2 HIS A 57 22.539 28.625 1.316 1.00 0.00 ATOM 441 ND1 HIS A 57 22.814 29.436 3.321 1.00 0.00 ATOM 442 CE1 HIS A 57 23.752 29.964 2.557 1.00 0.00 ATOM 443 NE2 HIS A 57 23.611 29.487 1.335 1.00 0.00 ATOM 444 O HIS A 57 19.102 28.830 0.854 1.00 0.00 ATOM 445 C HIS A 57 19.397 29.418 1.886 1.00 0.00 ATOM 446 N ASP A 58 19.580 30.735 1.941 1.00 0.00 ATOM 447 CA ASP A 58 19.462 31.586 0.749 1.00 0.00 ATOM 448 CB ASP A 58 20.668 31.382 -0.181 1.00 0.00 ATOM 449 CG ASP A 58 20.755 32.412 -1.306 1.00 0.00 ATOM 450 OD1 ASP A 58 20.303 33.552 -1.127 1.00 0.00 ATOM 451 OD2 ASP A 58 21.281 32.038 -2.369 1.00 0.00 ATOM 452 O ASP A 58 18.117 31.223 -1.230 1.00 0.00 ATOM 453 C ASP A 58 18.149 31.324 0.011 1.00 0.00 ATOM 454 N GLY A 59 17.068 31.211 0.778 1.00 0.00 ATOM 455 CA GLY A 59 15.745 30.974 0.200 1.00 0.00 ATOM 456 O GLY A 59 14.368 29.306 -0.836 1.00 0.00 ATOM 457 C GLY A 59 15.451 29.573 -0.303 1.00 0.00 ATOM 458 N GLN A 60 16.385 28.646 -0.137 1.00 0.00 ATOM 459 CA GLN A 60 16.185 27.314 -0.682 1.00 0.00 ATOM 460 CB GLN A 60 17.385 26.911 -1.526 1.00 0.00 ATOM 461 CG GLN A 60 17.809 27.932 -2.578 1.00 0.00 ATOM 462 CD GLN A 60 16.738 28.180 -3.621 1.00 0.00 ATOM 463 OE1 GLN A 60 16.067 27.257 -4.082 1.00 0.00 ATOM 464 NE2 GLN A 60 16.568 29.450 -4.002 1.00 0.00 ATOM 465 O GLN A 60 16.786 26.327 1.418 1.00 0.00 ATOM 466 C GLN A 60 16.018 26.317 0.445 1.00 0.00 ATOM 467 N VAL A 61 15.050 25.425 0.287 1.00 0.00 ATOM 468 CA VAL A 61 14.923 24.268 1.169 1.00 0.00 ATOM 469 CB VAL A 61 13.550 23.645 1.017 1.00 0.00 ATOM 470 CG1 VAL A 61 13.451 22.324 1.779 1.00 0.00 ATOM 471 CG2 VAL A 61 12.471 24.618 1.526 1.00 0.00 ATOM 472 O VAL A 61 16.049 22.756 -0.302 1.00 0.00 ATOM 473 C VAL A 61 16.006 23.243 0.836 1.00 0.00 ATOM 474 N LEU A 62 16.917 22.992 1.784 1.00 0.00 ATOM 475 CA LEU A 62 18.094 22.152 1.553 1.00 0.00 ATOM 476 CB LEU A 62 19.380 22.921 1.874 1.00 0.00 ATOM 477 CG LEU A 62 19.688 24.177 1.046 1.00 0.00 ATOM 478 CD1 LEU A 62 21.072 24.656 1.360 1.00 0.00 ATOM 479 CD2 LEU A 62 19.578 23.850 -0.410 1.00 0.00 ATOM 480 O LEU A 62 18.844 19.963 2.061 1.00 0.00 ATOM 481 C LEU A 62 18.067 20.859 2.347 1.00 0.00 ATOM 482 N GLY A 63 17.206 20.769 3.350 1.00 0.00 ATOM 483 CA GLY A 63 17.178 19.589 4.205 1.00 0.00 ATOM 484 O GLY A 63 15.053 20.314 4.960 1.00 0.00 ATOM 485 C GLY A 63 15.826 19.379 4.839 1.00 0.00 ATOM 486 N PHE A 64 15.558 18.125 5.188 1.00 0.00 ATOM 487 CA PHE A 64 14.308 17.693 5.801 1.00 0.00 ATOM 488 CB PHE A 64 13.347 17.203 4.707 1.00 0.00 ATOM 489 CG PHE A 64 12.069 16.591 5.192 1.00 0.00 ATOM 490 CD1 PHE A 64 10.956 17.369 5.421 1.00 0.00 ATOM 491 CD2 PHE A 64 11.967 15.229 5.373 1.00 0.00 ATOM 492 CE1 PHE A 64 9.798 16.796 5.827 1.00 0.00 ATOM 493 CE2 PHE A 64 10.799 14.656 5.800 1.00 0.00 ATOM 494 CZ PHE A 64 9.718 15.446 6.046 1.00 0.00 ATOM 495 O PHE A 64 15.347 15.698 6.529 1.00 0.00 ATOM 496 C PHE A 64 14.587 16.604 6.819 1.00 0.00 ATOM 497 N ALA A 65 13.939 16.673 7.982 1.00 0.00 ATOM 498 CA ALA A 65 14.043 15.621 8.972 1.00 0.00 ATOM 499 CB ALA A 65 15.240 15.847 9.857 1.00 0.00 ATOM 500 O ALA A 65 11.979 16.470 9.831 1.00 0.00 ATOM 501 C ALA A 65 12.764 15.539 9.780 1.00 0.00 ATOM 502 N ASN A 66 12.549 14.391 10.415 1.00 0.00 ATOM 503 CA ASN A 66 11.464 14.188 11.365 1.00 0.00 ATOM 504 CB ASN A 66 10.146 13.874 10.646 1.00 0.00 ATOM 505 CG ASN A 66 10.231 12.694 9.738 1.00 0.00 ATOM 506 ND2 ASN A 66 9.522 12.783 8.625 1.00 0.00 ATOM 507 OD1 ASN A 66 10.854 11.687 10.043 1.00 0.00 ATOM 508 O ASN A 66 12.969 12.590 12.341 1.00 0.00 ATOM 509 C ASN A 66 11.861 13.100 12.382 1.00 0.00 ATOM 510 N PHE A 67 10.932 12.804 13.285 1.00 0.00 ATOM 511 CA PHE A 67 11.043 11.650 14.166 1.00 0.00 ATOM 512 CB PHE A 67 10.558 11.961 15.591 1.00 0.00 ATOM 513 CG PHE A 67 11.315 13.044 16.297 1.00 0.00 ATOM 514 CD1 PHE A 67 12.687 13.013 16.408 1.00 0.00 ATOM 515 CD2 PHE A 67 10.622 14.082 16.896 1.00 0.00 ATOM 516 CE1 PHE A 67 13.350 14.037 17.126 1.00 0.00 ATOM 517 CE2 PHE A 67 11.281 15.085 17.577 1.00 0.00 ATOM 518 CZ PHE A 67 12.620 15.046 17.713 1.00 0.00 ATOM 519 O PHE A 67 8.966 10.784 13.384 1.00 0.00 ATOM 520 C PHE A 67 10.125 10.542 13.672 1.00 0.00 ATOM 521 N TYR A 68 10.599 9.290 13.686 1.00 0.00 ATOM 522 CA TYR A 68 9.666 8.170 13.493 1.00 0.00 ATOM 523 CB TYR A 68 10.106 7.151 12.446 1.00 0.00 ATOM 524 CG TYR A 68 10.952 5.994 12.938 1.00 0.00 ATOM 525 CD1 TYR A 68 10.430 4.697 13.023 1.00 0.00 ATOM 526 CD2 TYR A 68 12.269 6.177 13.316 1.00 0.00 ATOM 527 CE1 TYR A 68 11.209 3.626 13.448 1.00 0.00 ATOM 528 CE2 TYR A 68 13.050 5.108 13.744 1.00 0.00 ATOM 529 CZ TYR A 68 12.506 3.858 13.821 1.00 0.00 ATOM 530 OH TYR A 68 13.288 2.816 14.235 1.00 0.00 ATOM 531 O TYR A 68 8.305 6.718 14.757 1.00 0.00 ATOM 532 C TYR A 68 9.263 7.473 14.773 1.00 0.00 ATOM 533 N GLN A 69 9.957 7.762 15.878 1.00 0.00 ATOM 534 CA GLN A 69 9.529 7.299 17.203 1.00 0.00 ATOM 535 CB GLN A 69 10.356 6.098 17.706 1.00 0.00 ATOM 536 CG GLN A 69 10.326 4.905 16.801 1.00 0.00 ATOM 537 CD GLN A 69 11.230 3.798 17.266 1.00 0.00 ATOM 538 OE1 GLN A 69 12.260 4.036 17.891 1.00 0.00 ATOM 539 NE2 GLN A 69 10.869 2.579 16.921 1.00 0.00 ATOM 540 O GLN A 69 10.587 9.242 18.058 1.00 0.00 ATOM 541 C GLN A 69 9.675 8.446 18.175 1.00 0.00 ATOM 542 N TRP A 70 8.772 8.505 19.145 1.00 0.00 ATOM 543 CA TRP A 70 8.787 9.555 20.148 1.00 0.00 ATOM 544 CB TRP A 70 8.066 10.832 19.650 1.00 0.00 ATOM 545 CG TRP A 70 6.681 10.570 19.153 1.00 0.00 ATOM 546 CD1 TRP A 70 5.516 10.642 19.875 1.00 0.00 ATOM 547 CD2 TRP A 70 6.300 10.158 17.835 1.00 0.00 ATOM 548 CE2 TRP A 70 4.904 9.990 17.834 1.00 0.00 ATOM 549 CE3 TRP A 70 7.000 9.940 16.646 1.00 0.00 ATOM 550 NE1 TRP A 70 4.454 10.291 19.090 1.00 0.00 ATOM 551 CZ2 TRP A 70 4.197 9.610 16.706 1.00 0.00 ATOM 552 CZ3 TRP A 70 6.297 9.538 15.521 1.00 0.00 ATOM 553 CH2 TRP A 70 4.910 9.378 15.565 1.00 0.00 ATOM 554 O TRP A 70 7.028 8.359 21.286 1.00 0.00 ATOM 555 C TRP A 70 8.103 8.953 21.376 1.00 0.00 ATOM 556 N GLN A 71 8.767 9.083 22.517 1.00 0.00 ATOM 557 CA GLN A 71 8.270 8.520 23.774 1.00 0.00 ATOM 558 CB GLN A 71 8.951 7.188 24.055 1.00 0.00 ATOM 559 CG GLN A 71 8.570 6.046 23.100 1.00 0.00 ATOM 560 CD GLN A 71 7.121 5.606 23.240 1.00 0.00 ATOM 561 OE1 GLN A 71 6.488 5.808 24.274 1.00 0.00 ATOM 562 NE2 GLN A 71 6.587 5.000 22.188 1.00 0.00 ATOM 563 O GLN A 71 9.764 9.736 25.221 1.00 0.00 ATOM 564 C GLN A 71 8.597 9.540 24.861 1.00 0.00 ATOM 565 N HIS A 72 7.558 10.200 25.365 1.00 0.00 ATOM 566 CA HIS A 72 7.744 11.301 26.302 1.00 0.00 ATOM 567 CB HIS A 72 6.405 11.893 26.733 1.00 0.00 ATOM 568 CG HIS A 72 6.538 13.193 27.466 1.00 0.00 ATOM 569 CD2 HIS A 72 6.770 13.453 28.773 1.00 0.00 ATOM 570 ND1 HIS A 72 6.462 14.418 26.838 1.00 0.00 ATOM 571 CE1 HIS A 72 6.646 15.376 27.730 1.00 0.00 ATOM 572 NE2 HIS A 72 6.829 14.817 28.913 1.00 0.00 ATOM 573 O HIS A 72 8.223 9.781 28.112 1.00 0.00 ATOM 574 C HIS A 72 8.531 10.835 27.530 1.00 0.00 ATOM 575 N GLY A 73 9.545 11.614 27.914 1.00 0.00 ATOM 576 CA GLY A 73 10.368 11.292 29.070 1.00 0.00 ATOM 577 O GLY A 73 12.163 9.888 29.710 1.00 0.00 ATOM 578 C GLY A 73 11.435 10.258 28.809 1.00 0.00 ATOM 579 N ASP A 74 11.570 9.803 27.564 1.00 0.00 ATOM 580 CA ASP A 74 12.355 8.624 27.289 1.00 0.00 ATOM 581 CB ASP A 74 11.399 7.443 27.046 1.00 0.00 ATOM 582 CG ASP A 74 12.077 6.109 27.082 1.00 0.00 ATOM 583 OD1 ASP A 74 13.315 6.057 27.178 1.00 0.00 ATOM 584 OD2 ASP A 74 11.351 5.093 26.970 1.00 0.00 ATOM 585 O ASP A 74 14.499 9.213 26.361 1.00 0.00 ATOM 586 C ASP A 74 13.322 8.910 26.126 1.00 0.00 ATOM 587 N PHE A 75 12.824 8.844 24.892 1.00 0.00 ATOM 588 CA PHE A 75 13.675 9.023 23.747 1.00 0.00 ATOM 589 CB PHE A 75 14.415 7.724 23.403 1.00 0.00 ATOM 590 CG PHE A 75 13.527 6.650 22.818 1.00 0.00 ATOM 591 CD1 PHE A 75 13.366 6.530 21.441 1.00 0.00 ATOM 592 CD2 PHE A 75 12.839 5.787 23.639 1.00 0.00 ATOM 593 CE1 PHE A 75 12.545 5.570 20.906 1.00 0.00 ATOM 594 CE2 PHE A 75 11.999 4.823 23.109 1.00 0.00 ATOM 595 CZ PHE A 75 11.853 4.713 21.742 1.00 0.00 ATOM 596 O PHE A 75 11.637 9.317 22.548 1.00 0.00 ATOM 597 C PHE A 75 12.850 9.463 22.558 1.00 0.00 ATOM 598 N CYS A 76 13.551 10.004 21.560 1.00 0.00 ATOM 599 CA CYS A 76 13.021 10.103 20.199 1.00 0.00 ATOM 600 CB CYS A 76 12.819 11.551 19.775 1.00 0.00 ATOM 601 SG CYS A 76 11.586 12.399 20.772 1.00 0.00 ATOM 602 O CYS A 76 15.195 9.245 19.609 1.00 0.00 ATOM 603 C CYS A 76 14.017 9.433 19.261 1.00 0.00 ATOM 604 N ALA A 77 13.535 9.041 18.092 1.00 0.00 ATOM 605 CA ALA A 77 14.367 8.411 17.071 1.00 0.00 ATOM 606 CB ALA A 77 13.987 6.933 16.888 1.00 0.00 ATOM 607 O ALA A 77 13.083 9.414 15.321 1.00 0.00 ATOM 608 C ALA A 77 14.200 9.150 15.767 1.00 0.00 ATOM 609 N LEU A 78 15.326 9.493 15.170 1.00 0.00 ATOM 610 CA LEU A 78 15.350 10.132 13.862 1.00 0.00 ATOM 611 CB LEU A 78 16.792 10.354 13.437 1.00 0.00 ATOM 612 CG LEU A 78 16.958 11.059 12.110 1.00 0.00 ATOM 613 CD1 LEU A 78 16.611 12.521 12.240 1.00 0.00 ATOM 614 CD2 LEU A 78 18.401 10.859 11.624 1.00 0.00 ATOM 615 O LEU A 78 14.882 8.106 12.685 1.00 0.00 ATOM 616 C LEU A 78 14.630 9.291 12.826 1.00 0.00 ATOM 617 N GLY A 79 13.714 9.919 12.111 1.00 0.00 ATOM 618 CA GLY A 79 13.007 9.282 10.999 1.00 0.00 ATOM 619 O GLY A 79 14.856 9.145 9.489 1.00 0.00 ATOM 620 C GLY A 79 13.714 9.571 9.707 1.00 0.00 ATOM 621 N ASN A 80 13.026 10.230 8.794 1.00 0.00 ATOM 622 CA ASN A 80 13.619 10.629 7.536 1.00 0.00 ATOM 623 CB ASN A 80 12.515 11.251 6.650 1.00 0.00 ATOM 624 CG ASN A 80 11.330 10.335 6.424 1.00 0.00 ATOM 625 ND2 ASN A 80 11.578 9.140 5.885 1.00 0.00 ATOM 626 OD1 ASN A 80 10.203 10.693 6.746 1.00 0.00 ATOM 627 O ASN A 80 14.558 12.568 8.596 1.00 0.00 ATOM 628 C ASN A 80 14.699 11.694 7.754 1.00 0.00 ATOM 629 N MET A 81 15.793 11.607 7.021 1.00 0.00 ATOM 630 CA MET A 81 16.815 12.650 6.938 1.00 0.00 ATOM 631 CB MET A 81 18.058 12.309 7.762 1.00 0.00 ATOM 632 CG MET A 81 19.223 13.300 7.509 1.00 0.00 ATOM 633 SD MET A 81 18.877 15.165 7.981 1.00 0.00 ATOM 634 CE MET A 81 19.152 14.872 9.370 1.00 0.00 ATOM 635 O MET A 81 17.695 11.749 4.908 1.00 0.00 ATOM 636 C MET A 81 17.196 12.724 5.465 1.00 0.00 ATOM 637 N MET A 82 16.942 13.877 4.857 1.00 0.00 ATOM 638 CA MET A 82 17.133 14.068 3.432 1.00 0.00 ATOM 639 CB MET A 82 15.777 14.032 2.718 1.00 0.00 ATOM 640 CG MET A 82 14.812 12.909 3.131 1.00 0.00 ATOM 641 SD MET A 82 13.438 12.679 1.761 1.00 0.00 ATOM 642 CE MET A 82 12.387 11.301 2.761 1.00 0.00 ATOM 643 O MET A 82 17.468 16.394 3.853 1.00 0.00 ATOM 644 C MET A 82 17.820 15.415 3.211 1.00 0.00 ATOM 645 N VAL A 83 18.797 15.456 2.312 1.00 0.00 ATOM 646 CA VAL A 83 19.514 16.688 2.013 1.00 0.00 ATOM 647 CB VAL A 83 20.933 16.675 2.675 1.00 0.00 ATOM 648 CG1 VAL A 83 21.752 17.928 2.309 1.00 0.00 ATOM 649 CG2 VAL A 83 20.790 16.599 4.181 1.00 0.00 ATOM 650 O VAL A 83 19.963 15.882 -0.205 1.00 0.00 ATOM 651 C VAL A 83 19.642 16.839 0.503 1.00 0.00 ATOM 652 N ALA A 84 19.437 18.058 0.024 1.00 0.00 ATOM 653 CA ALA A 84 19.591 18.352 -1.383 1.00 0.00 ATOM 654 CB ALA A 84 19.357 19.833 -1.574 1.00 0.00 ATOM 655 O ALA A 84 21.974 18.369 -1.211 1.00 0.00 ATOM 656 C ALA A 84 21.002 18.012 -1.856 1.00 0.00 ATOM 657 N PRO A 85 21.111 17.351 -3.004 1.00 0.00 ATOM 658 CA PRO A 85 22.418 16.943 -3.542 1.00 0.00 ATOM 659 CB PRO A 85 22.090 16.565 -4.993 1.00 0.00 ATOM 660 CG PRO A 85 20.654 16.084 -4.925 1.00 0.00 ATOM 661 CD PRO A 85 20.013 17.052 -3.941 1.00 0.00 ATOM 662 O PRO A 85 24.595 17.826 -3.060 1.00 0.00 ATOM 663 C PRO A 85 23.473 18.054 -3.511 1.00 0.00 ATOM 664 N ALA A 86 23.105 19.240 -3.986 1.00 0.00 ATOM 665 CA ALA A 86 24.030 20.354 -4.117 1.00 0.00 ATOM 666 CB ALA A 86 23.362 21.512 -4.856 1.00 0.00 ATOM 667 O ALA A 86 25.580 21.511 -2.695 1.00 0.00 ATOM 668 C ALA A 86 24.550 20.830 -2.767 1.00 0.00 ATOM 669 N ALA A 87 23.833 20.483 -1.697 1.00 0.00 ATOM 670 CA ALA A 87 24.123 20.978 -0.359 1.00 0.00 ATOM 671 CB ALA A 87 22.871 21.502 0.292 1.00 0.00 ATOM 672 O ALA A 87 25.025 20.198 1.698 1.00 0.00 ATOM 673 C ALA A 87 24.757 19.930 0.532 1.00 0.00 ATOM 674 N ARG A 88 25.032 18.746 0.016 1.00 0.00 ATOM 675 CA ARG A 88 25.607 17.714 0.872 1.00 0.00 ATOM 676 CB ARG A 88 25.473 16.373 0.210 1.00 0.00 ATOM 677 CG ARG A 88 24.019 15.941 0.178 1.00 0.00 ATOM 678 CD ARG A 88 23.839 14.680 -0.525 1.00 0.00 ATOM 679 NE ARG A 88 22.432 14.415 -0.815 1.00 0.00 ATOM 680 CZ ARG A 88 22.041 13.383 -1.539 1.00 0.00 ATOM 681 NH1 ARG A 88 22.948 12.548 -2.014 1.00 0.00 ATOM 682 NH2 ARG A 88 20.764 13.205 -1.805 1.00 0.00 ATOM 683 O ARG A 88 27.810 18.569 0.512 1.00 0.00 ATOM 684 C ARG A 88 27.043 17.996 1.274 1.00 0.00 ATOM 685 N GLY A 89 27.393 17.605 2.492 1.00 0.00 ATOM 686 CA GLY A 89 28.726 17.893 2.993 1.00 0.00 ATOM 687 O GLY A 89 30.060 19.650 3.874 1.00 0.00 ATOM 688 C GLY A 89 28.930 19.292 3.524 1.00 0.00 ATOM 689 N LEU A 90 27.858 20.085 3.601 1.00 0.00 ATOM 690 CA LEU A 90 27.953 21.505 3.980 1.00 0.00 ATOM 691 CB LEU A 90 27.303 22.393 2.921 1.00 0.00 ATOM 692 CG LEU A 90 27.788 22.187 1.491 1.00 0.00 ATOM 693 CD1 LEU A 90 27.156 23.237 0.600 1.00 0.00 ATOM 694 CD2 LEU A 90 29.326 22.244 1.380 1.00 0.00 ATOM 695 O LEU A 90 27.194 23.016 5.705 1.00 0.00 ATOM 696 C LEU A 90 27.346 21.847 5.340 1.00 0.00 ATOM 697 N GLY A 91 26.986 20.841 6.103 1.00 0.00 ATOM 698 CA GLY A 91 26.513 21.064 7.454 1.00 0.00 ATOM 699 O GLY A 91 24.518 21.392 8.671 1.00 0.00 ATOM 700 C GLY A 91 25.005 21.095 7.589 1.00 0.00 ATOM 701 N VAL A 92 24.266 20.771 6.532 1.00 0.00 ATOM 702 CA VAL A 92 22.802 20.799 6.618 1.00 0.00 ATOM 703 CB VAL A 92 22.162 20.711 5.223 1.00 0.00 ATOM 704 CG1 VAL A 92 20.634 20.646 5.347 1.00 0.00 ATOM 705 CG2 VAL A 92 22.585 21.910 4.363 1.00 0.00 ATOM 706 O VAL A 92 21.445 19.935 8.412 1.00 0.00 ATOM 707 C VAL A 92 22.272 19.681 7.539 1.00 0.00 ATOM 708 N ALA A 93 22.746 18.459 7.356 1.00 0.00 ATOM 709 CA ALA A 93 22.359 17.364 8.254 1.00 0.00 ATOM 710 CB ALA A 93 22.870 16.039 7.751 1.00 0.00 ATOM 711 O ALA A 93 22.082 17.420 10.621 1.00 0.00 ATOM 712 C ALA A 93 22.837 17.633 9.686 1.00 0.00 ATOM 713 N ARG A 94 24.070 18.100 9.874 1.00 0.00 ATOM 714 CA ARG A 94 24.545 18.457 11.221 1.00 0.00 ATOM 715 CB ARG A 94 25.975 19.021 11.177 1.00 0.00 ATOM 716 CG ARG A 94 26.448 19.670 12.480 1.00 0.00 ATOM 717 CD ARG A 94 27.847 20.257 12.352 1.00 0.00 ATOM 718 NE ARG A 94 28.859 19.219 12.180 1.00 0.00 ATOM 719 CZ ARG A 94 29.648 18.740 13.145 1.00 0.00 ATOM 720 NH1 ARG A 94 29.567 19.191 14.397 1.00 0.00 ATOM 721 NH2 ARG A 94 30.535 17.795 12.850 1.00 0.00 ATOM 722 O ARG A 94 23.192 19.333 13.021 1.00 0.00 ATOM 723 C ARG A 94 23.597 19.477 11.856 1.00 0.00 ATOM 724 N TYR A 95 23.258 20.521 11.105 1.00 0.00 ATOM 725 CA TYR A 95 22.362 21.540 11.623 1.00 0.00 ATOM 726 CB TYR A 95 22.177 22.607 10.536 1.00 0.00 ATOM 727 CG TYR A 95 21.165 23.672 10.879 1.00 0.00 ATOM 728 CD1 TYR A 95 21.462 24.695 11.759 1.00 0.00 ATOM 729 CD2 TYR A 95 19.898 23.663 10.307 1.00 0.00 ATOM 730 CE1 TYR A 95 20.523 25.686 12.075 1.00 0.00 ATOM 731 CE2 TYR A 95 18.965 24.636 10.618 1.00 0.00 ATOM 732 CZ TYR A 95 19.286 25.646 11.491 1.00 0.00 ATOM 733 OH TYR A 95 18.353 26.612 11.773 1.00 0.00 ATOM 734 O TYR A 95 20.504 21.198 13.113 1.00 0.00 ATOM 735 C TYR A 95 21.014 20.946 12.016 1.00 0.00 ATOM 736 N LEU A 96 20.416 20.172 11.126 1.00 0.00 ATOM 737 CA LEU A 96 19.114 19.556 11.421 1.00 0.00 ATOM 738 CB LEU A 96 18.552 18.841 10.192 1.00 0.00 ATOM 739 CG LEU A 96 17.855 19.779 9.217 1.00 0.00 ATOM 740 CD1 LEU A 96 17.488 19.064 7.928 1.00 0.00 ATOM 741 CD2 LEU A 96 16.600 20.399 9.875 1.00 0.00 ATOM 742 O LEU A 96 18.168 18.518 13.343 1.00 0.00 ATOM 743 C LEU A 96 19.148 18.596 12.585 1.00 0.00 ATOM 744 N ILE A 97 20.214 17.819 12.722 1.00 0.00 ATOM 745 CA ILE A 97 20.308 16.951 13.895 1.00 0.00 ATOM 746 CB ILE A 97 21.544 16.031 13.839 1.00 0.00 ATOM 747 CG1 ILE A 97 21.398 15.000 12.696 1.00 0.00 ATOM 748 CG2 ILE A 97 21.755 15.310 15.182 1.00 0.00 ATOM 749 CD1 ILE A 97 20.344 13.970 12.925 1.00 0.00 ATOM 750 O ILE A 97 19.594 17.384 16.129 1.00 0.00 ATOM 751 C ILE A 97 20.269 17.772 15.185 1.00 0.00 ATOM 752 N GLY A 98 20.955 18.908 15.207 1.00 0.00 ATOM 753 CA GLY A 98 20.916 19.782 16.381 1.00 0.00 ATOM 754 O GLY A 98 19.071 20.364 17.807 1.00 0.00 ATOM 755 C GLY A 98 19.521 20.296 16.660 1.00 0.00 ATOM 756 N VAL A 99 18.807 20.648 15.601 1.00 0.00 ATOM 757 CA VAL A 99 17.430 21.126 15.757 1.00 0.00 ATOM 758 CB VAL A 99 16.889 21.638 14.396 1.00 0.00 ATOM 759 CG1 VAL A 99 15.388 21.905 14.458 1.00 0.00 ATOM 760 CG2 VAL A 99 17.657 22.909 13.970 1.00 0.00 ATOM 761 O VAL A 99 15.716 20.232 17.198 1.00 0.00 ATOM 762 C VAL A 99 16.526 20.012 16.289 1.00 0.00 ATOM 763 N MET A 100 16.694 18.797 15.771 1.00 0.00 ATOM 764 CA MET A 100 15.874 17.695 16.219 1.00 0.00 ATOM 765 CB MET A 100 16.030 16.498 15.293 1.00 0.00 ATOM 766 CG MET A 100 15.640 16.755 13.805 1.00 0.00 ATOM 767 SD MET A 100 13.891 17.600 13.568 1.00 0.00 ATOM 768 CE MET A 100 12.960 16.117 14.106 1.00 0.00 ATOM 769 O MET A 100 15.333 16.925 18.410 1.00 0.00 ATOM 770 C MET A 100 16.220 17.303 17.666 1.00 0.00 ATOM 771 N GLU A 101 17.499 17.337 18.047 1.00 0.00 ATOM 772 CA GLU A 101 17.891 17.116 19.448 1.00 0.00 ATOM 773 CB GLU A 101 19.408 17.206 19.607 1.00 0.00 ATOM 774 CG GLU A 101 20.184 16.040 18.988 1.00 0.00 ATOM 775 CD GLU A 101 21.668 16.249 18.924 1.00 0.00 ATOM 776 OE1 GLU A 101 22.150 17.379 19.105 1.00 0.00 ATOM 777 OE2 GLU A 101 22.383 15.295 18.614 1.00 0.00 ATOM 778 O GLU A 101 16.701 17.692 21.444 1.00 0.00 ATOM 779 C GLU A 101 17.204 18.120 20.386 1.00 0.00 ATOM 780 N ASN A 102 17.204 19.428 20.045 1.00 0.00 ATOM 781 CA ASN A 102 16.516 20.394 20.854 1.00 0.00 ATOM 782 CB ASN A 102 16.787 21.788 20.327 1.00 0.00 ATOM 783 CG ASN A 102 18.203 22.283 20.620 1.00 0.00 ATOM 784 ND2 ASN A 102 18.628 23.301 19.885 1.00 0.00 ATOM 785 OD1 ASN A 102 18.896 21.763 21.487 1.00 0.00 ATOM 786 O ASN A 102 14.429 20.232 21.964 1.00 0.00 ATOM 787 C ASN A 102 15.020 20.134 20.910 1.00 0.00 ATOM 788 N LEU A 103 14.388 19.777 19.796 1.00 0.00 ATOM 789 CA LEU A 103 12.981 19.491 19.818 1.00 0.00 ATOM 790 CB LEU A 103 12.502 19.180 18.408 1.00 0.00 ATOM 791 CG LEU A 103 11.005 19.012 18.176 1.00 0.00 ATOM 792 CD1 LEU A 103 10.267 20.303 18.525 1.00 0.00 ATOM 793 CD2 LEU A 103 10.739 18.635 16.748 1.00 0.00 ATOM 794 O LEU A 103 11.723 18.177 21.468 1.00 0.00 ATOM 795 C LEU A 103 12.701 18.217 20.695 1.00 0.00 ATOM 796 N ALA A 104 13.526 17.159 20.600 1.00 0.00 ATOM 797 CA ALA A 104 13.379 15.991 21.479 1.00 0.00 ATOM 798 CB ALA A 104 14.461 14.963 21.152 1.00 0.00 ATOM 799 O ALA A 104 12.637 15.940 23.781 1.00 0.00 ATOM 800 C ALA A 104 13.447 16.395 22.956 1.00 0.00 ATOM 801 N ARG A 105 14.420 17.231 23.287 1.00 0.00 ATOM 802 CA ARG A 105 14.573 17.726 24.669 1.00 0.00 ATOM 803 CB ARG A 105 15.796 18.627 24.782 1.00 0.00 ATOM 804 CG ARG A 105 17.111 17.900 24.807 1.00 0.00 ATOM 805 CD ARG A 105 18.238 18.798 25.313 1.00 0.00 ATOM 806 NE ARG A 105 18.822 19.569 24.230 1.00 0.00 ATOM 807 CZ ARG A 105 19.830 19.153 23.460 1.00 0.00 ATOM 808 NH1 ARG A 105 20.403 17.972 23.643 1.00 0.00 ATOM 809 NH2 ARG A 105 20.276 19.935 22.502 1.00 0.00 ATOM 810 O ARG A 105 12.858 18.319 26.219 1.00 0.00 ATOM 811 C ARG A 105 13.382 18.530 25.122 1.00 0.00 ATOM 812 N GLU A 106 12.969 19.487 24.300 1.00 0.00 ATOM 813 CA GLU A 106 11.944 20.452 24.712 1.00 0.00 ATOM 814 CB GLU A 106 11.982 21.687 23.816 1.00 0.00 ATOM 815 CG GLU A 106 13.193 22.571 24.057 1.00 0.00 ATOM 816 CD GLU A 106 13.370 22.940 25.519 1.00 0.00 ATOM 817 OE1 GLU A 106 12.381 23.391 26.138 1.00 0.00 ATOM 818 OE2 GLU A 106 14.493 22.770 26.047 1.00 0.00 ATOM 819 O GLU A 106 9.848 19.886 25.726 1.00 0.00 ATOM 820 C GLU A 106 10.556 19.850 24.703 1.00 0.00 ATOM 821 N GLN A 107 10.166 19.279 23.570 1.00 0.00 ATOM 822 CA GLN A 107 8.792 18.763 23.416 1.00 0.00 ATOM 823 CB GLN A 107 8.361 18.707 21.958 1.00 0.00 ATOM 824 CG GLN A 107 6.851 18.907 21.831 1.00 0.00 ATOM 825 CD GLN A 107 6.208 18.222 20.638 1.00 0.00 ATOM 826 OE1 GLN A 107 6.864 17.898 19.640 1.00 0.00 ATOM 827 NE2 GLN A 107 4.898 18.014 20.727 1.00 0.00 ATOM 828 O GLN A 107 7.436 17.142 24.561 1.00 0.00 ATOM 829 C GLN A 107 8.541 17.401 24.045 1.00 0.00 ATOM 830 N TYR A 108 9.545 16.537 24.027 1.00 0.00 ATOM 831 CA TYR A 108 9.355 15.177 24.481 1.00 0.00 ATOM 832 CB TYR A 108 9.721 14.190 23.356 1.00 0.00 ATOM 833 CG TYR A 108 8.763 14.342 22.212 1.00 0.00 ATOM 834 CD1 TYR A 108 7.504 13.759 22.264 1.00 0.00 ATOM 835 CD2 TYR A 108 9.084 15.121 21.102 1.00 0.00 ATOM 836 CE1 TYR A 108 6.587 13.914 21.232 1.00 0.00 ATOM 837 CE2 TYR A 108 8.172 15.288 20.067 1.00 0.00 ATOM 838 CZ TYR A 108 6.933 14.673 20.137 1.00 0.00 ATOM 839 OH TYR A 108 6.024 14.839 19.107 1.00 0.00 ATOM 840 O TYR A 108 9.989 13.750 26.253 1.00 0.00 ATOM 841 C TYR A 108 10.100 14.861 25.770 1.00 0.00 ATOM 842 N LYS A 109 10.859 15.822 26.304 1.00 0.00 ATOM 843 CA LYS A 109 11.656 15.610 27.521 1.00 0.00 ATOM 844 CB LYS A 109 10.766 15.607 28.783 1.00 0.00 ATOM 845 CG LYS A 109 9.771 16.761 28.852 1.00 0.00 ATOM 846 CD LYS A 109 10.411 18.141 28.768 1.00 0.00 ATOM 847 CE LYS A 109 9.427 19.255 29.147 1.00 0.00 ATOM 848 NZ LYS A 109 9.683 20.532 28.433 1.00 0.00 ATOM 849 O LYS A 109 12.651 13.563 28.334 1.00 0.00 ATOM 850 C LYS A 109 12.492 14.344 27.399 1.00 0.00 ATOM 851 N ALA A 110 13.048 14.164 26.200 1.00 0.00 ATOM 852 CA ALA A 110 13.843 12.993 25.916 1.00 0.00 ATOM 853 CB ALA A 110 14.104 12.919 24.427 1.00 0.00 ATOM 854 O ALA A 110 15.802 14.054 26.758 1.00 0.00 ATOM 855 C ALA A 110 15.162 13.014 26.656 1.00 0.00 ATOM 856 N ARG A 111 15.567 11.848 27.115 1.00 0.00 ATOM 857 CA ARG A 111 16.893 11.628 27.633 1.00 0.00 ATOM 858 CB ARG A 111 16.909 10.610 28.776 1.00 0.00 ATOM 859 CG ARG A 111 16.646 11.165 30.104 1.00 0.00 ATOM 860 CD ARG A 111 15.255 11.679 30.203 1.00 0.00 ATOM 861 NE ARG A 111 14.912 11.713 31.628 1.00 0.00 ATOM 862 CZ ARG A 111 13.789 12.179 32.110 1.00 0.00 ATOM 863 NH1 ARG A 111 12.881 12.766 31.326 1.00 0.00 ATOM 864 NH2 ARG A 111 13.594 12.072 33.404 1.00 0.00 ATOM 865 O ARG A 111 19.014 10.986 26.981 1.00 0.00 ATOM 866 C ARG A 111 17.893 11.086 26.677 1.00 0.00 ATOM 867 N LEU A 112 17.403 10.697 25.526 1.00 0.00 ATOM 868 CA LEU A 112 18.206 9.967 24.573 1.00 0.00 ATOM 869 CB LEU A 112 18.042 8.484 24.870 1.00 0.00 ATOM 870 CG LEU A 112 18.997 7.541 24.178 1.00 0.00 ATOM 871 CD1 LEU A 112 20.380 7.550 24.875 1.00 0.00 ATOM 872 CD2 LEU A 112 18.434 6.135 24.127 1.00 0.00 ATOM 873 O LEU A 112 16.474 10.334 22.970 1.00 0.00 ATOM 874 C LEU A 112 17.679 10.261 23.165 1.00 0.00 ATOM 875 N MET A 113 18.578 10.435 22.210 1.00 0.00 ATOM 876 CA MET A 113 18.215 10.414 20.804 1.00 0.00 ATOM 877 CB MET A 113 18.757 11.635 20.085 1.00 0.00 ATOM 878 CG MET A 113 18.383 11.627 18.615 1.00 0.00 ATOM 879 SD MET A 113 16.639 12.252 18.299 1.00 0.00 ATOM 880 CE MET A 113 17.343 13.812 17.990 1.00 0.00 ATOM 881 O MET A 113 19.956 8.862 20.354 1.00 0.00 ATOM 882 C MET A 113 18.787 9.167 20.170 1.00 0.00 ATOM 883 N LYS A 114 17.930 8.453 19.439 1.00 0.00 ATOM 884 CA LYS A 114 18.328 7.277 18.656 1.00 0.00 ATOM 885 CB LYS A 114 17.305 6.154 18.816 1.00 0.00 ATOM 886 CG LYS A 114 17.111 5.670 20.252 1.00 0.00 ATOM 887 CD LYS A 114 16.211 4.456 20.289 1.00 0.00 ATOM 888 CE LYS A 114 15.913 4.038 21.735 1.00 0.00 ATOM 889 NZ LYS A 114 15.186 2.740 21.791 1.00 0.00 ATOM 890 O LYS A 114 17.607 8.355 16.649 1.00 0.00 ATOM 891 C LYS A 114 18.467 7.660 17.188 1.00 0.00 ATOM 892 N ILE A 115 19.543 7.188 16.556 1.00 0.00 ATOM 893 CA ILE A 115 19.739 7.307 15.109 1.00 0.00 ATOM 894 CB ILE A 115 20.816 8.343 14.733 1.00 0.00 ATOM 895 CG1 ILE A 115 20.381 9.734 15.186 1.00 0.00 ATOM 896 CG2 ILE A 115 21.041 8.342 13.235 1.00 0.00 ATOM 897 CD1 ILE A 115 21.364 10.842 14.866 1.00 0.00 ATOM 898 O ILE A 115 21.151 5.380 15.045 1.00 0.00 ATOM 899 C ILE A 115 20.167 5.947 14.577 1.00 0.00 ATOM 900 N SER A 116 19.426 5.427 13.600 1.00 0.00 ATOM 901 CA SER A 116 19.822 4.239 12.888 1.00 0.00 ATOM 902 CB SER A 116 18.634 3.307 12.698 1.00 0.00 ATOM 903 OG SER A 116 18.154 2.819 13.930 1.00 0.00 ATOM 904 O SER A 116 19.894 5.590 10.918 1.00 0.00 ATOM 905 C SER A 116 20.390 4.661 11.544 1.00 0.00 ATOM 906 N CYS A 117 21.407 3.948 11.085 1.00 0.00 ATOM 907 CA CYS A 117 22.075 4.270 9.833 1.00 0.00 ATOM 908 CB CYS A 117 23.332 5.062 10.181 1.00 0.00 ATOM 909 SG CYS A 117 24.241 5.743 8.816 1.00 0.00 ATOM 910 O CYS A 117 23.068 2.105 9.687 1.00 0.00 ATOM 911 C CYS A 117 22.447 2.999 9.103 1.00 0.00 ATOM 912 N PHE A 118 22.095 2.916 7.834 1.00 0.00 ATOM 913 CA PHE A 118 22.439 1.745 7.039 1.00 0.00 ATOM 914 CB PHE A 118 21.656 1.736 5.728 1.00 0.00 ATOM 915 CG PHE A 118 20.231 1.365 5.907 1.00 0.00 ATOM 916 CD1 PHE A 118 19.867 0.055 6.078 1.00 0.00 ATOM 917 CD2 PHE A 118 19.242 2.330 5.902 1.00 0.00 ATOM 918 CE1 PHE A 118 18.541 -0.293 6.262 1.00 0.00 ATOM 919 CE2 PHE A 118 17.931 1.996 6.055 1.00 0.00 ATOM 920 CZ PHE A 118 17.562 0.694 6.234 1.00 0.00 ATOM 921 O PHE A 118 24.617 2.718 6.691 1.00 0.00 ATOM 922 C PHE A 118 23.934 1.695 6.773 1.00 0.00 ATOM 923 N ASN A 119 24.455 0.481 6.694 1.00 0.00 ATOM 924 CA ASN A 119 25.892 0.301 6.605 1.00 0.00 ATOM 925 CB ASN A 119 26.260 -1.184 6.648 1.00 0.00 ATOM 926 CG ASN A 119 25.852 -1.928 5.408 1.00 0.00 ATOM 927 ND2 ASN A 119 26.803 -2.107 4.498 1.00 0.00 ATOM 928 OD1 ASN A 119 24.705 -2.364 5.275 1.00 0.00 ATOM 929 O ASN A 119 27.678 1.431 5.508 1.00 0.00 ATOM 930 C ASN A 119 26.535 0.984 5.413 1.00 0.00 ATOM 931 N ALA A 120 25.798 1.111 4.307 1.00 0.00 ATOM 932 CA ALA A 120 26.373 1.733 3.125 1.00 0.00 ATOM 933 CB ALA A 120 25.486 1.477 1.912 1.00 0.00 ATOM 934 O ALA A 120 27.381 3.841 2.542 1.00 0.00 ATOM 935 C ALA A 120 26.598 3.236 3.288 1.00 0.00 ATOM 936 N ASN A 121 25.907 3.846 4.247 1.00 0.00 ATOM 937 CA ASN A 121 25.964 5.284 4.433 1.00 0.00 ATOM 938 CB ASN A 121 24.612 5.775 4.957 1.00 0.00 ATOM 939 CG ASN A 121 24.530 7.284 5.075 1.00 0.00 ATOM 940 ND2 ASN A 121 23.439 7.776 5.659 1.00 0.00 ATOM 941 OD1 ASN A 121 25.435 7.997 4.658 1.00 0.00 ATOM 942 O ASN A 121 26.998 6.051 6.471 1.00 0.00 ATOM 943 C ASN A 121 27.149 5.688 5.326 1.00 0.00 ATOM 944 N ALA A 122 28.353 5.602 4.763 1.00 0.00 ATOM 945 CA ALA A 122 29.568 5.939 5.487 1.00 0.00 ATOM 946 CB ALA A 122 30.777 5.713 4.623 1.00 0.00 ATOM 947 O ALA A 122 29.948 7.703 7.067 1.00 0.00 ATOM 948 C ALA A 122 29.533 7.390 5.966 1.00 0.00 ATOM 949 N ALA A 123 29.045 8.285 5.122 1.00 0.00 ATOM 950 CA ALA A 123 29.058 9.681 5.462 1.00 0.00 ATOM 951 CB ALA A 123 28.598 10.509 4.271 1.00 0.00 ATOM 952 O ALA A 123 28.565 10.679 7.608 1.00 0.00 ATOM 953 C ALA A 123 28.186 9.936 6.697 1.00 0.00 ATOM 954 N GLY A 124 27.053 9.241 6.757 1.00 0.00 ATOM 955 CA GLY A 124 26.172 9.304 7.932 1.00 0.00 ATOM 956 O GLY A 124 26.859 9.379 10.208 1.00 0.00 ATOM 957 C GLY A 124 26.843 8.758 9.170 1.00 0.00 ATOM 958 N LEU A 125 27.414 7.573 9.053 1.00 0.00 ATOM 959 CA LEU A 125 28.083 6.953 10.197 1.00 0.00 ATOM 960 CB LEU A 125 28.709 5.617 9.803 1.00 0.00 ATOM 961 CG LEU A 125 27.729 4.497 9.460 1.00 0.00 ATOM 962 CD1 LEU A 125 28.465 3.333 8.834 1.00 0.00 ATOM 963 CD2 LEU A 125 26.916 3.994 10.666 1.00 0.00 ATOM 964 O LEU A 125 29.271 8.013 11.989 1.00 0.00 ATOM 965 C LEU A 125 29.146 7.873 10.768 1.00 0.00 ATOM 966 N LEU A 126 29.949 8.472 9.884 1.00 0.00 ATOM 967 CA LEU A 126 31.014 9.380 10.307 1.00 0.00 ATOM 968 CB LEU A 126 31.994 9.652 9.162 1.00 0.00 ATOM 969 CG LEU A 126 32.744 8.394 8.694 1.00 0.00 ATOM 970 CD1 LEU A 126 33.465 8.742 7.391 1.00 0.00 ATOM 971 CD2 LEU A 126 33.691 7.872 9.782 1.00 0.00 ATOM 972 O LEU A 126 31.020 11.148 11.925 1.00 0.00 ATOM 973 C LEU A 126 30.493 10.678 10.915 1.00 0.00 ATOM 974 N LEU A 127 29.453 11.243 10.327 1.00 0.00 ATOM 975 CA LEU A 127 28.857 12.475 10.877 1.00 0.00 ATOM 976 CB LEU A 127 27.766 13.011 9.942 1.00 0.00 ATOM 977 CG LEU A 127 26.927 14.163 10.519 1.00 0.00 ATOM 978 CD1 LEU A 127 27.778 15.386 10.799 1.00 0.00 ATOM 979 CD2 LEU A 127 25.735 14.478 9.633 1.00 0.00 ATOM 980 O LEU A 127 28.517 12.956 13.221 1.00 0.00 ATOM 981 C LEU A 127 28.257 12.235 12.264 1.00 0.00 ATOM 982 N TYR A 128 27.431 11.208 12.386 1.00 0.00 ATOM 983 CA TYR A 128 26.815 10.934 13.681 1.00 0.00 ATOM 984 CB TYR A 128 25.802 9.786 13.599 1.00 0.00 ATOM 985 CG TYR A 128 24.739 9.944 12.541 1.00 0.00 ATOM 986 CD1 TYR A 128 24.111 11.155 12.325 1.00 0.00 ATOM 987 CD2 TYR A 128 24.367 8.850 11.768 1.00 0.00 ATOM 988 CE1 TYR A 128 23.122 11.265 11.312 1.00 0.00 ATOM 989 CE2 TYR A 128 23.422 8.936 10.803 1.00 0.00 ATOM 990 CZ TYR A 128 22.787 10.144 10.585 1.00 0.00 ATOM 991 OH TYR A 128 21.806 10.215 9.619 1.00 0.00 ATOM 992 O TYR A 128 27.705 11.087 15.893 1.00 0.00 ATOM 993 C TYR A 128 27.867 10.670 14.754 1.00 0.00 ATOM 994 N THR A 129 28.980 10.037 14.376 1.00 0.00 ATOM 995 CA THR A 129 30.086 9.825 15.291 1.00 0.00 ATOM 996 CB THR A 129 31.156 8.897 14.661 1.00 0.00 ATOM 997 CG2 THR A 129 32.336 8.734 15.579 1.00 0.00 ATOM 998 OG1 THR A 129 30.557 7.625 14.414 1.00 0.00 ATOM 999 O THR A 129 30.848 11.405 16.929 1.00 0.00 ATOM 1000 C THR A 129 30.643 11.185 15.734 1.00 0.00 ATOM 1001 N GLN A 130 30.882 12.082 14.783 1.00 0.00 ATOM 1002 CA GLN A 130 31.369 13.430 15.118 1.00 0.00 ATOM 1003 CB GLN A 130 31.523 14.269 13.845 1.00 0.00 ATOM 1004 CG GLN A 130 32.670 13.865 12.939 1.00 0.00 ATOM 1005 CD GLN A 130 32.612 14.525 11.564 1.00 0.00 ATOM 1006 OE1 GLN A 130 31.610 15.144 11.192 1.00 0.00 ATOM 1007 NE2 GLN A 130 33.691 14.377 10.790 1.00 0.00 ATOM 1008 O GLN A 130 30.866 14.939 16.952 1.00 0.00 ATOM 1009 C GLN A 130 30.423 14.142 16.096 1.00 0.00 ATOM 1010 N LEU A 131 29.134 13.854 15.982 1.00 0.00 ATOM 1011 CA LEU A 131 28.132 14.503 16.842 1.00 0.00 ATOM 1012 CB LEU A 131 26.797 14.619 16.095 1.00 0.00 ATOM 1013 CG LEU A 131 26.835 15.440 14.811 1.00 0.00 ATOM 1014 CD1 LEU A 131 25.446 15.522 14.193 1.00 0.00 ATOM 1015 CD2 LEU A 131 27.420 16.813 15.048 1.00 0.00 ATOM 1016 O LEU A 131 27.055 14.216 18.972 1.00 0.00 ATOM 1017 C LEU A 131 27.929 13.819 18.195 1.00 0.00 ATOM 1018 N GLY A 132 28.726 12.794 18.479 1.00 0.00 ATOM 1019 CA GLY A 132 28.707 12.134 19.777 1.00 0.00 ATOM 1020 O GLY A 132 27.588 10.461 20.997 1.00 0.00 ATOM 1021 C GLY A 132 27.807 10.936 19.902 1.00 0.00 ATOM 1022 N TYR A 133 27.278 10.442 18.781 1.00 0.00 ATOM 1023 CA TYR A 133 26.488 9.223 18.776 1.00 0.00 ATOM 1024 CB TYR A 133 25.579 9.133 17.530 1.00 0.00 ATOM 1025 CG TYR A 133 24.447 10.135 17.610 1.00 0.00 ATOM 1026 CD1 TYR A 133 23.174 9.749 18.059 1.00 0.00 ATOM 1027 CD2 TYR A 133 24.665 11.470 17.318 1.00 0.00 ATOM 1028 CE1 TYR A 133 22.170 10.663 18.215 1.00 0.00 ATOM 1029 CE2 TYR A 133 23.636 12.392 17.468 1.00 0.00 ATOM 1030 CZ TYR A 133 22.403 11.971 17.921 1.00 0.00 ATOM 1031 OH TYR A 133 21.392 12.879 18.107 1.00 0.00 ATOM 1032 O TYR A 133 28.542 8.078 18.261 1.00 0.00 ATOM 1033 C TYR A 133 27.438 8.035 18.838 1.00 0.00 ATOM 1034 N GLN A 134 27.000 7.006 19.550 1.00 0.00 ATOM 1035 CA GLN A 134 27.790 5.790 19.702 1.00 0.00 ATOM 1036 CB GLN A 134 28.131 5.538 21.160 1.00 0.00 ATOM 1037 CG GLN A 134 29.196 6.408 21.710 1.00 0.00 ATOM 1038 CD GLN A 134 29.399 6.122 23.162 1.00 0.00 ATOM 1039 OE1 GLN A 134 29.160 6.988 23.989 1.00 0.00 ATOM 1040 NE2 GLN A 134 29.799 4.885 23.498 1.00 0.00 ATOM 1041 O GLN A 134 25.786 4.564 19.399 1.00 0.00 ATOM 1042 C GLN A 134 26.982 4.620 19.201 1.00 0.00 ATOM 1043 N PRO A 135 27.644 3.643 18.599 1.00 0.00 ATOM 1044 CA PRO A 135 26.922 2.487 18.128 1.00 0.00 ATOM 1045 CB PRO A 135 27.922 1.831 17.171 1.00 0.00 ATOM 1046 CG PRO A 135 29.269 2.130 17.758 1.00 0.00 ATOM 1047 CD PRO A 135 29.093 3.536 18.343 1.00 0.00 ATOM 1048 O PRO A 135 27.367 1.335 20.164 1.00 0.00 ATOM 1049 C PRO A 135 26.547 1.565 19.285 1.00 0.00 ATOM 1050 N ARG A 136 25.322 1.046 19.269 1.00 0.00 ATOM 1051 CA ARG A 136 24.835 0.155 20.307 1.00 0.00 ATOM 1052 CB ARG A 136 23.572 0.753 20.939 1.00 0.00 ATOM 1053 CG ARG A 136 23.848 2.075 21.636 1.00 0.00 ATOM 1054 CD ARG A 136 24.878 1.955 22.753 1.00 0.00 ATOM 1055 NE ARG A 136 25.113 3.238 23.399 1.00 0.00 ATOM 1056 CZ ARG A 136 26.062 3.443 24.298 1.00 0.00 ATOM 1057 NH1 ARG A 136 26.841 2.438 24.673 1.00 0.00 ATOM 1058 NH2 ARG A 136 26.236 4.642 24.833 1.00 0.00 ATOM 1059 O ARG A 136 24.847 -2.206 20.516 1.00 0.00 ATOM 1060 C ARG A 136 24.561 -1.245 19.813 1.00 0.00 ATOM 1061 N ALA A 137 24.009 -1.374 18.611 1.00 0.00 ATOM 1062 CA ALA A 137 23.632 -2.680 18.090 1.00 0.00 ATOM 1063 CB ALA A 137 22.279 -3.127 18.594 1.00 0.00 ATOM 1064 O ALA A 137 23.650 -1.550 16.000 1.00 0.00 ATOM 1065 C ALA A 137 23.628 -2.620 16.590 1.00 0.00 ATOM 1066 N ILE A 138 23.616 -3.792 15.980 1.00 0.00 ATOM 1067 CA ILE A 138 23.512 -3.959 14.538 1.00 0.00 ATOM 1068 CB ILE A 138 24.813 -4.509 13.948 1.00 0.00 ATOM 1069 CG1 ILE A 138 25.989 -3.603 14.335 1.00 0.00 ATOM 1070 CG2 ILE A 138 24.655 -4.687 12.418 1.00 0.00 ATOM 1071 CD1 ILE A 138 27.290 -3.988 13.668 1.00 0.00 ATOM 1072 O ILE A 138 22.331 -6.023 14.752 1.00 0.00 ATOM 1073 C ILE A 138 22.355 -4.899 14.252 1.00 0.00 ATOM 1074 N ALA A 139 21.398 -4.435 13.446 1.00 0.00 ATOM 1075 CA ALA A 139 20.222 -5.198 13.097 1.00 0.00 ATOM 1076 CB ALA A 139 18.971 -4.375 13.363 1.00 0.00 ATOM 1077 O ALA A 139 20.967 -4.894 10.851 1.00 0.00 ATOM 1078 C ALA A 139 20.300 -5.559 11.628 1.00 0.00 ATOM 1079 N GLU A 140 19.613 -6.622 11.236 1.00 0.00 ATOM 1080 CA GLU A 140 19.550 -7.032 9.844 1.00 0.00 ATOM 1081 CB GLU A 140 19.505 -8.561 9.757 1.00 0.00 ATOM 1082 CG GLU A 140 19.391 -9.058 8.330 1.00 0.00 ATOM 1083 CD GLU A 140 19.564 -10.544 8.222 1.00 0.00 ATOM 1084 OE1 GLU A 140 18.554 -11.257 8.221 1.00 0.00 ATOM 1085 OE2 GLU A 140 20.723 -10.996 8.184 1.00 0.00 ATOM 1086 O GLU A 140 17.224 -6.447 9.714 1.00 0.00 ATOM 1087 C GLU A 140 18.324 -6.429 9.168 1.00 0.00 ATOM 1088 N ARG A 141 18.526 -5.920 7.961 1.00 0.00 ATOM 1089 CA ARG A 141 17.419 -5.478 7.117 1.00 0.00 ATOM 1090 CB ARG A 141 17.268 -3.938 7.128 1.00 0.00 ATOM 1091 CG ARG A 141 17.011 -3.294 8.512 1.00 0.00 ATOM 1092 CD ARG A 141 15.586 -3.550 8.980 1.00 0.00 ATOM 1093 NE ARG A 141 15.292 -2.890 10.255 1.00 0.00 ATOM 1094 CZ ARG A 141 15.421 -3.467 11.451 1.00 0.00 ATOM 1095 NH1 ARG A 141 15.836 -4.713 11.588 1.00 0.00 ATOM 1096 NH2 ARG A 141 15.126 -2.781 12.545 1.00 0.00 ATOM 1097 O ARG A 141 18.694 -6.555 5.410 1.00 0.00 ATOM 1098 C ARG A 141 17.646 -5.992 5.702 1.00 0.00 ATOM 1099 N HIS A 142 16.650 -5.798 4.849 1.00 0.00 ATOM 1100 CA HIS A 142 16.757 -6.217 3.451 1.00 0.00 ATOM 1101 CB HIS A 142 15.796 -7.362 3.142 1.00 0.00 ATOM 1102 CG HIS A 142 16.189 -8.654 3.758 1.00 0.00 ATOM 1103 CD2 HIS A 142 16.802 -9.737 3.225 1.00 0.00 ATOM 1104 ND1 HIS A 142 15.949 -8.953 5.082 1.00 0.00 ATOM 1105 CE1 HIS A 142 16.397 -10.170 5.335 1.00 0.00 ATOM 1106 NE2 HIS A 142 16.923 -10.665 4.228 1.00 0.00 ATOM 1107 O HIS A 142 15.453 -4.360 2.764 1.00 0.00 ATOM 1108 C HIS A 142 16.442 -5.047 2.557 1.00 0.00 ATOM 1109 N ASP A 143 17.282 -4.848 1.556 1.00 0.00 ATOM 1110 CA ASP A 143 17.126 -3.754 0.620 1.00 0.00 ATOM 1111 CB ASP A 143 18.502 -3.267 0.122 1.00 0.00 ATOM 1112 CG ASP A 143 19.139 -4.141 -0.952 1.00 0.00 ATOM 1113 OD1 ASP A 143 18.514 -5.073 -1.508 1.00 0.00 ATOM 1114 OD2 ASP A 143 20.312 -3.850 -1.258 1.00 0.00 ATOM 1115 O ASP A 143 15.615 -5.266 -0.486 1.00 0.00 ATOM 1116 C ASP A 143 16.125 -4.147 -0.476 1.00 0.00 ATOM 1117 N PRO A 144 15.792 -3.226 -1.367 1.00 0.00 ATOM 1118 CA PRO A 144 14.775 -3.543 -2.379 1.00 0.00 ATOM 1119 CB PRO A 144 14.625 -2.221 -3.125 1.00 0.00 ATOM 1120 CG PRO A 144 15.039 -1.182 -2.128 1.00 0.00 ATOM 1121 CD PRO A 144 16.206 -1.813 -1.443 1.00 0.00 ATOM 1122 O PRO A 144 14.196 -5.227 -3.970 1.00 0.00 ATOM 1123 C PRO A 144 15.112 -4.681 -3.333 1.00 0.00 ATOM 1124 N ASP A 145 16.389 -5.032 -3.448 1.00 0.00 ATOM 1125 CA ASP A 145 16.808 -6.186 -4.259 1.00 0.00 ATOM 1126 CB ASP A 145 18.180 -5.900 -4.854 1.00 0.00 ATOM 1127 CG ASP A 145 18.166 -4.698 -5.777 1.00 0.00 ATOM 1128 OD1 ASP A 145 17.503 -4.801 -6.825 1.00 0.00 ATOM 1129 OD2 ASP A 145 18.803 -3.667 -5.475 1.00 0.00 ATOM 1130 O ASP A 145 17.274 -8.505 -3.902 1.00 0.00 ATOM 1131 C ASP A 145 16.828 -7.472 -3.427 1.00 0.00 ATOM 1132 N GLY A 146 16.339 -7.417 -2.195 1.00 0.00 ATOM 1133 CA GLY A 146 16.342 -8.565 -1.316 1.00 0.00 ATOM 1134 O GLY A 146 17.882 -9.980 -0.172 1.00 0.00 ATOM 1135 C GLY A 146 17.701 -8.892 -0.724 1.00 0.00 ATOM 1136 N ARG A 147 18.672 -7.983 -0.841 1.00 0.00 ATOM 1137 CA ARG A 147 19.999 -8.211 -0.287 1.00 0.00 ATOM 1138 CB ARG A 147 21.046 -7.453 -1.080 1.00 0.00 ATOM 1139 CG ARG A 147 21.082 -7.889 -2.529 1.00 0.00 ATOM 1140 CD ARG A 147 22.195 -7.191 -3.300 1.00 0.00 ATOM 1141 NE ARG A 147 22.274 -7.752 -4.640 1.00 0.00 ATOM 1142 CZ ARG A 147 21.961 -7.120 -5.771 1.00 0.00 ATOM 1143 NH1 ARG A 147 21.603 -5.845 -5.795 1.00 0.00 ATOM 1144 NH2 ARG A 147 22.062 -7.787 -6.912 1.00 0.00 ATOM 1145 O ARG A 147 19.424 -6.805 1.576 1.00 0.00 ATOM 1146 C ARG A 147 20.047 -7.788 1.171 1.00 0.00 ATOM 1147 N ARG A 148 20.766 -8.569 1.964 1.00 0.00 ATOM 1148 CA ARG A 148 20.943 -8.305 3.381 1.00 0.00 ATOM 1149 CB ARG A 148 21.588 -9.515 4.068 1.00 0.00 ATOM 1150 CG ARG A 148 20.636 -10.695 4.171 1.00 0.00 ATOM 1151 CD ARG A 148 21.341 -11.995 4.528 1.00 0.00 ATOM 1152 NE ARG A 148 21.717 -12.088 5.943 1.00 0.00 ATOM 1153 CZ ARG A 148 22.972 -12.143 6.392 1.00 0.00 ATOM 1154 NH1 ARG A 148 23.192 -12.261 7.697 1.00 0.00 ATOM 1155 NH2 ARG A 148 24.006 -12.080 5.556 1.00 0.00 ATOM 1156 O ARG A 148 22.884 -6.952 2.953 1.00 0.00 ATOM 1157 C ARG A 148 21.826 -7.083 3.574 1.00 0.00 ATOM 1158 N VAL A 149 21.369 -6.187 4.439 1.00 0.00 ATOM 1159 CA VAL A 149 22.141 -5.028 4.830 1.00 0.00 ATOM 1160 CB VAL A 149 21.609 -3.726 4.196 1.00 0.00 ATOM 1161 CG1 VAL A 149 21.778 -3.782 2.684 1.00 0.00 ATOM 1162 CG2 VAL A 149 20.169 -3.436 4.588 1.00 0.00 ATOM 1163 O VAL A 149 21.325 -5.600 7.039 1.00 0.00 ATOM 1164 C VAL A 149 22.131 -4.951 6.360 1.00 0.00 ATOM 1165 N ALA A 150 23.075 -4.188 6.903 1.00 0.00 ATOM 1166 CA ALA A 150 23.224 -4.026 8.341 1.00 0.00 ATOM 1167 CB ALA A 150 24.660 -4.244 8.726 1.00 0.00 ATOM 1168 O ALA A 150 23.211 -1.647 8.155 1.00 0.00 ATOM 1169 C ALA A 150 22.769 -2.627 8.727 1.00 0.00 ATOM 1170 N LEU A 151 21.892 -2.548 9.704 1.00 0.00 ATOM 1171 CA LEU A 151 21.424 -1.274 10.223 1.00 0.00 ATOM 1172 CB LEU A 151 19.913 -1.310 10.399 1.00 0.00 ATOM 1173 CG LEU A 151 19.278 0.004 10.872 1.00 0.00 ATOM 1174 CD1 LEU A 151 19.300 1.059 9.781 1.00 0.00 ATOM 1175 CD2 LEU A 151 17.892 -0.302 11.323 1.00 0.00 ATOM 1176 O LEU A 151 21.945 -1.751 12.524 1.00 0.00 ATOM 1177 C LEU A 151 22.143 -1.005 11.549 1.00 0.00 ATOM 1178 N ILE A 152 22.977 0.036 11.580 1.00 0.00 ATOM 1179 CA ILE A 152 23.742 0.348 12.793 1.00 0.00 ATOM 1180 CB ILE A 152 25.071 0.990 12.424 1.00 0.00 ATOM 1181 CG1 ILE A 152 25.894 0.031 11.548 1.00 0.00 ATOM 1182 CG2 ILE A 152 25.866 1.350 13.668 1.00 0.00 ATOM 1183 CD1 ILE A 152 25.866 0.327 10.148 1.00 0.00 ATOM 1184 O ILE A 152 22.562 2.374 13.233 1.00 0.00 ATOM 1185 C ILE A 152 22.916 1.279 13.655 1.00 0.00 ATOM 1186 N GLN A 153 22.555 0.782 14.833 1.00 0.00 ATOM 1187 CA GLN A 153 21.656 1.479 15.744 1.00 0.00 ATOM 1188 CB GLN A 153 20.716 0.482 16.417 1.00 0.00 ATOM 1189 CG GLN A 153 19.823 -0.216 15.378 1.00 0.00 ATOM 1190 CD GLN A 153 19.100 -1.442 15.879 1.00 0.00 ATOM 1191 OE1 GLN A 153 19.699 -2.308 16.497 1.00 0.00 ATOM 1192 NE2 GLN A 153 17.802 -1.552 15.550 1.00 0.00 ATOM 1193 O GLN A 153 23.261 1.583 17.526 1.00 0.00 ATOM 1194 C GLN A 153 22.503 2.217 16.765 1.00 0.00 ATOM 1195 N MET A 154 22.414 3.545 16.733 1.00 0.00 ATOM 1196 CA MET A 154 23.252 4.419 17.530 1.00 0.00 ATOM 1197 CB MET A 154 24.005 5.363 16.601 1.00 0.00 ATOM 1198 CG MET A 154 24.705 4.684 15.441 1.00 0.00 ATOM 1199 SD MET A 154 25.669 5.873 14.267 1.00 0.00 ATOM 1200 CE MET A 154 27.093 6.312 15.376 1.00 0.00 ATOM 1201 O MET A 154 21.196 5.427 18.261 1.00 0.00 ATOM 1202 C MET A 154 22.404 5.258 18.477 1.00 0.00 ATOM 1203 N ASP A 155 23.022 5.828 19.509 1.00 0.00 ATOM 1204 CA ASP A 155 22.295 6.750 20.371 1.00 0.00 ATOM 1205 CB ASP A 155 21.367 5.991 21.363 1.00 0.00 ATOM 1206 CG ASP A 155 22.104 5.134 22.375 1.00 0.00 ATOM 1207 OD1 ASP A 155 23.305 5.336 22.578 1.00 0.00 ATOM 1208 OD2 ASP A 155 21.431 4.264 22.977 1.00 0.00 ATOM 1209 O ASP A 155 24.479 7.649 20.909 1.00 0.00 ATOM 1210 C ASP A 155 23.251 7.744 21.030 1.00 0.00 ATOM 1211 N LYS A 156 22.641 8.733 21.677 1.00 0.00 ATOM 1212 CA LYS A 156 23.360 9.808 22.340 1.00 0.00 ATOM 1213 CB LYS A 156 23.615 10.955 21.356 1.00 0.00 ATOM 1214 CG LYS A 156 24.358 12.187 21.886 1.00 0.00 ATOM 1215 CD LYS A 156 24.271 13.289 20.813 1.00 0.00 ATOM 1216 CE LYS A 156 24.751 14.622 21.265 1.00 0.00 ATOM 1217 NZ LYS A 156 24.824 15.456 20.058 1.00 0.00 ATOM 1218 O LYS A 156 21.298 10.554 23.269 1.00 0.00 ATOM 1219 C LYS A 156 22.487 10.324 23.475 1.00 0.00 ATOM 1220 N PRO A 157 23.071 10.534 24.676 1.00 0.00 ATOM 1221 CA PRO A 157 22.285 11.132 25.747 1.00 0.00 ATOM 1222 CB PRO A 157 23.185 11.007 26.985 1.00 0.00 ATOM 1223 CG PRO A 157 24.548 10.819 26.456 1.00 0.00 ATOM 1224 CD PRO A 157 24.458 10.251 25.084 1.00 0.00 ATOM 1225 O PRO A 157 22.769 13.300 24.859 1.00 0.00 ATOM 1226 C PRO A 157 21.961 12.580 25.467 1.00 0.00 ATOM 1227 N LEU A 158 20.781 12.988 25.942 1.00 0.00 ATOM 1228 CA LEU A 158 20.326 14.376 25.913 1.00 0.00 ATOM 1229 CB LEU A 158 19.044 14.529 25.094 1.00 0.00 ATOM 1230 CG LEU A 158 19.024 13.965 23.676 1.00 0.00 ATOM 1231 CD1 LEU A 158 17.633 14.056 23.134 1.00 0.00 ATOM 1232 CD2 LEU A 158 20.025 14.637 22.787 1.00 0.00 ATOM 1233 O LEU A 158 19.258 14.138 28.049 1.00 0.00 ATOM 1234 C LEU A 158 20.024 14.784 27.353 1.00 0.00 ATOM 1235 N GLU A 159 20.626 15.856 27.794 1.00 0.00 ATOM 1236 CA GLU A 159 20.349 16.344 29.137 1.00 0.00 ATOM 1237 CB GLU A 159 21.643 16.834 29.784 1.00 0.00 ATOM 1238 CG GLU A 159 22.594 15.679 30.144 1.00 0.00 ATOM 1239 CD GLU A 159 23.727 16.081 31.080 1.00 0.00 ATOM 1240 OE1 GLU A 159 23.888 17.291 31.358 1.00 0.00 ATOM 1241 OE2 GLU A 159 24.457 15.169 31.540 1.00 0.00 ATOM 1242 O GLU A 159 18.774 17.799 28.050 1.00 0.00 ATOM 1243 C GLU A 159 19.227 17.383 29.102 1.00 0.00 ATOM 1244 N PRO A 160 18.716 17.761 30.266 1.00 0.00 ATOM 1245 CA PRO A 160 17.623 18.718 30.274 1.00 0.00 ATOM 1246 CB PRO A 160 17.349 18.915 31.768 1.00 0.00 ATOM 1247 CG PRO A 160 17.858 17.687 32.408 1.00 0.00 ATOM 1248 CD PRO A 160 19.065 17.315 31.623 1.00 0.00 ATOM 1249 O PRO A 160 17.133 20.658 29.008 1.00 0.00 ATOM 1250 C PRO A 160 17.992 20.036 29.603 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 T0374.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.919 # GDT_score = -59.375 # GDT_score(maxd=8.000,maxw=2.900)= -59.786 # GDT_score(maxd=8.000,maxw=3.200)= -56.804 # GDT_score(maxd=8.000,maxw=3.500)= -54.045 # GDT_score(maxd=10.000,maxw=3.800)= -57.266 # GDT_score(maxd=10.000,maxw=4.000)= -55.524 # GDT_score(maxd=10.000,maxw=4.200)= -53.853 # GDT_score(maxd=12.000,maxw=4.300)= -57.429 # GDT_score(maxd=12.000,maxw=4.500)= -55.768 # GDT_score(maxd=12.000,maxw=4.700)= -54.131 # GDT_score(maxd=14.000,maxw=5.200)= -53.674 # GDT_score(maxd=14.000,maxw=5.500)= -51.462 # command:# ReadConformPDB reading from PDB file T0374.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.938 # GDT_score = -67.188 # GDT_score(maxd=8.000,maxw=2.900)= -70.453 # GDT_score(maxd=8.000,maxw=3.200)= -66.623 # GDT_score(maxd=8.000,maxw=3.500)= -63.035 # GDT_score(maxd=10.000,maxw=3.800)= -65.759 # GDT_score(maxd=10.000,maxw=4.000)= -63.522 # GDT_score(maxd=10.000,maxw=4.200)= -61.400 # GDT_score(maxd=12.000,maxw=4.300)= -64.985 # GDT_score(maxd=12.000,maxw=4.500)= -62.929 # GDT_score(maxd=12.000,maxw=4.700)= -60.991 # GDT_score(maxd=14.000,maxw=5.200)= -59.959 # GDT_score(maxd=14.000,maxw=5.500)= -57.345 # command:# ReadConformPDB reading from PDB file T0374.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0374.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0374.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0374 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 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try10-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 T0374.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_382318032.pdb -s /var/tmp/to_scwrl_382318032.seq -o /var/tmp/from_scwrl_382318032.pdb > /var/tmp/scwrl_382318032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382318032.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 T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_626293144.pdb -s /var/tmp/to_scwrl_626293144.seq -o /var/tmp/from_scwrl_626293144.pdb > /var/tmp/scwrl_626293144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_626293144.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 T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2011575208.pdb -s /var/tmp/to_scwrl_2011575208.seq -o /var/tmp/from_scwrl_2011575208.pdb > /var/tmp/scwrl_2011575208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2011575208.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 T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2102172536.pdb -s /var/tmp/to_scwrl_2102172536.seq -o /var/tmp/from_scwrl_2102172536.pdb > /var/tmp/scwrl_2102172536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102172536.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 T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_398123696.pdb -s /var/tmp/to_scwrl_398123696.seq -o /var/tmp/from_scwrl_398123696.pdb > /var/tmp/scwrl_398123696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398123696.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 T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1081138406.pdb -s /var/tmp/to_scwrl_1081138406.seq -o /var/tmp/from_scwrl_1081138406.pdb > /var/tmp/scwrl_1081138406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081138406.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1776971665.pdb -s /var/tmp/to_scwrl_1776971665.seq -o /var/tmp/from_scwrl_1776971665.pdb > /var/tmp/scwrl_1776971665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1776971665.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1599179418.pdb -s /var/tmp/to_scwrl_1599179418.seq -o /var/tmp/from_scwrl_1599179418.pdb > /var/tmp/scwrl_1599179418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599179418.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_396917237.pdb -s /var/tmp/to_scwrl_396917237.seq -o /var/tmp/from_scwrl_396917237.pdb > /var/tmp/scwrl_396917237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_396917237.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1047425865.pdb -s /var/tmp/to_scwrl_1047425865.seq -o /var/tmp/from_scwrl_1047425865.pdb > /var/tmp/scwrl_1047425865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047425865.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1804868408.pdb -s /var/tmp/to_scwrl_1804868408.seq -o /var/tmp/from_scwrl_1804868408.pdb > /var/tmp/scwrl_1804868408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1804868408.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_914983748.pdb -s /var/tmp/to_scwrl_914983748.seq -o /var/tmp/from_scwrl_914983748.pdb > /var/tmp/scwrl_914983748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_914983748.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1788052200.pdb -s /var/tmp/to_scwrl_1788052200.seq -o /var/tmp/from_scwrl_1788052200.pdb > /var/tmp/scwrl_1788052200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1788052200.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_775454767.pdb -s /var/tmp/to_scwrl_775454767.seq -o /var/tmp/from_scwrl_775454767.pdb > /var/tmp/scwrl_775454767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_775454767.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_975831992.pdb -s /var/tmp/to_scwrl_975831992.seq -o /var/tmp/from_scwrl_975831992.pdb > /var/tmp/scwrl_975831992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975831992.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2122366337.pdb -s /var/tmp/to_scwrl_2122366337.seq -o /var/tmp/from_scwrl_2122366337.pdb > /var/tmp/scwrl_2122366337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122366337.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 107 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_461792212.pdb -s /var/tmp/to_scwrl_461792212.seq -o /var/tmp/from_scwrl_461792212.pdb > /var/tmp/scwrl_461792212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461792212.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 142 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_342121201.pdb -s /var/tmp/to_scwrl_342121201.seq -o /var/tmp/from_scwrl_342121201.pdb > /var/tmp/scwrl_342121201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_342121201.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 147 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_425513209.pdb -s /var/tmp/to_scwrl_425513209.seq -o /var/tmp/from_scwrl_425513209.pdb > /var/tmp/scwrl_425513209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425513209.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 157 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_382760590.pdb -s /var/tmp/to_scwrl_382760590.seq -o /var/tmp/from_scwrl_382760590.pdb > /var/tmp/scwrl_382760590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382760590.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 155 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_786342134.pdb -s /var/tmp/to_scwrl_786342134.seq -o /var/tmp/from_scwrl_786342134.pdb > /var/tmp/scwrl_786342134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786342134.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 151 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1707465752.pdb -s /var/tmp/to_scwrl_1707465752.seq -o /var/tmp/from_scwrl_1707465752.pdb > /var/tmp/scwrl_1707465752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1707465752.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 121 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_790355446.pdb -s /var/tmp/to_scwrl_790355446.seq -o /var/tmp/from_scwrl_790355446.pdb > /var/tmp/scwrl_790355446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790355446.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 159 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_141713140.pdb -s /var/tmp/to_scwrl_141713140.seq -o /var/tmp/from_scwrl_141713140.pdb > /var/tmp/scwrl_141713140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_141713140.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 156 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_311892803.pdb -s /var/tmp/to_scwrl_311892803.seq -o /var/tmp/from_scwrl_311892803.pdb > /var/tmp/scwrl_311892803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311892803.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 143 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2105184480.pdb -s /var/tmp/to_scwrl_2105184480.seq -o /var/tmp/from_scwrl_2105184480.pdb > /var/tmp/scwrl_2105184480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105184480.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 106 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1437821947.pdb -s /var/tmp/to_scwrl_1437821947.seq -o /var/tmp/from_scwrl_1437821947.pdb > /var/tmp/scwrl_1437821947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1437821947.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_202749724.pdb -s /var/tmp/to_scwrl_202749724.seq -o /var/tmp/from_scwrl_202749724.pdb > /var/tmp/scwrl_202749724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_202749724.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 86 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_45480975.pdb -s /var/tmp/to_scwrl_45480975.seq -o /var/tmp/from_scwrl_45480975.pdb > /var/tmp/scwrl_45480975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45480975.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2027432108.pdb -s /var/tmp/to_scwrl_2027432108.seq -o /var/tmp/from_scwrl_2027432108.pdb > /var/tmp/scwrl_2027432108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2027432108.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 108 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_103703707.pdb -s /var/tmp/to_scwrl_103703707.seq -o /var/tmp/from_scwrl_103703707.pdb > /var/tmp/scwrl_103703707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103703707.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 159 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_427799007.pdb -s /var/tmp/to_scwrl_427799007.seq -o /var/tmp/from_scwrl_427799007.pdb > /var/tmp/scwrl_427799007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_427799007.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_506241606.pdb -s /var/tmp/to_scwrl_506241606.seq -o /var/tmp/from_scwrl_506241606.pdb > /var/tmp/scwrl_506241606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_506241606.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2115278915.pdb -s /var/tmp/to_scwrl_2115278915.seq -o /var/tmp/from_scwrl_2115278915.pdb > /var/tmp/scwrl_2115278915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2115278915.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_382487897.pdb -s /var/tmp/to_scwrl_382487897.seq -o /var/tmp/from_scwrl_382487897.pdb > /var/tmp/scwrl_382487897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382487897.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_904365302.pdb -s /var/tmp/to_scwrl_904365302.seq -o /var/tmp/from_scwrl_904365302.pdb > /var/tmp/scwrl_904365302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_904365302.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1048933676.pdb -s /var/tmp/to_scwrl_1048933676.seq -o /var/tmp/from_scwrl_1048933676.pdb > /var/tmp/scwrl_1048933676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1048933676.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_11975915.pdb -s /var/tmp/to_scwrl_11975915.seq -o /var/tmp/from_scwrl_11975915.pdb > /var/tmp/scwrl_11975915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_11975915.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 T0374 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_356061073.pdb -s /var/tmp/to_scwrl_356061073.seq -o /var/tmp/from_scwrl_356061073.pdb > /var/tmp/scwrl_356061073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_356061073.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 T0374 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1445850912.pdb -s /var/tmp/to_scwrl_1445850912.seq -o /var/tmp/from_scwrl_1445850912.pdb > /var/tmp/scwrl_1445850912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1445850912.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 T0374 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1059401780.pdb -s /var/tmp/to_scwrl_1059401780.seq -o /var/tmp/from_scwrl_1059401780.pdb > /var/tmp/scwrl_1059401780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059401780.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 T0374 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_13445834.pdb -s /var/tmp/to_scwrl_13445834.seq -o /var/tmp/from_scwrl_13445834.pdb > /var/tmp/scwrl_13445834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13445834.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 T0374 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_213351013.pdb -s /var/tmp/to_scwrl_213351013.seq -o /var/tmp/from_scwrl_213351013.pdb > /var/tmp/scwrl_213351013.log Error: can't open any of /var/tmp/from_scwrl_213351013.pdb or /var/tmp/from_scwrl_213351013_b.pdb or /var/tmp/from_scwrl_213351013_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 T0374 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_699970333.pdb -s /var/tmp/to_scwrl_699970333.seq -o /var/tmp/from_scwrl_699970333.pdb > /var/tmp/scwrl_699970333.log Error: can't open any of /var/tmp/from_scwrl_699970333.pdb or /var/tmp/from_scwrl_699970333_b.pdb or /var/tmp/from_scwrl_699970333_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 T0374 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_788900602.pdb -s /var/tmp/to_scwrl_788900602.seq -o /var/tmp/from_scwrl_788900602.pdb > /var/tmp/scwrl_788900602.log Error: can't open any of /var/tmp/from_scwrl_788900602.pdb or /var/tmp/from_scwrl_788900602_b.pdb or /var/tmp/from_scwrl_788900602_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 T0374 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1189183004.pdb -s /var/tmp/to_scwrl_1189183004.seq -o /var/tmp/from_scwrl_1189183004.pdb > /var/tmp/scwrl_1189183004.log Error: can't open any of /var/tmp/from_scwrl_1189183004.pdb or /var/tmp/from_scwrl_1189183004_b.pdb or /var/tmp/from_scwrl_1189183004_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 T0374 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_674853023.pdb -s /var/tmp/to_scwrl_674853023.seq -o /var/tmp/from_scwrl_674853023.pdb > /var/tmp/scwrl_674853023.log Error: can't open any of /var/tmp/from_scwrl_674853023.pdb or /var/tmp/from_scwrl_674853023_b.pdb or /var/tmp/from_scwrl_674853023_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 159 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1250692813.pdb -s /var/tmp/to_scwrl_1250692813.seq -o /var/tmp/from_scwrl_1250692813.pdb > /var/tmp/scwrl_1250692813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250692813.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1531304205.pdb -s /var/tmp/to_scwrl_1531304205.seq -o /var/tmp/from_scwrl_1531304205.pdb > /var/tmp/scwrl_1531304205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1531304205.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 T0374 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1100366231.pdb -s /var/tmp/to_scwrl_1100366231.seq -o /var/tmp/from_scwrl_1100366231.pdb > /var/tmp/scwrl_1100366231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1100366231.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 T0374 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1633453403.pdb -s /var/tmp/to_scwrl_1633453403.seq -o /var/tmp/from_scwrl_1633453403.pdb > /var/tmp/scwrl_1633453403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633453403.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_170162693.pdb -s /var/tmp/to_scwrl_170162693.seq -o /var/tmp/from_scwrl_170162693.pdb > /var/tmp/scwrl_170162693.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170162693.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 159 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_660348337.pdb -s /var/tmp/to_scwrl_660348337.seq -o /var/tmp/from_scwrl_660348337.pdb > /var/tmp/scwrl_660348337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660348337.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 159 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_276325202.pdb -s /var/tmp/to_scwrl_276325202.seq -o /var/tmp/from_scwrl_276325202.pdb > /var/tmp/scwrl_276325202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_276325202.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_311875833.pdb -s /var/tmp/to_scwrl_311875833.seq -o /var/tmp/from_scwrl_311875833.pdb > /var/tmp/scwrl_311875833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311875833.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 158 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_972241140.pdb -s /var/tmp/to_scwrl_972241140.seq -o /var/tmp/from_scwrl_972241140.pdb > /var/tmp/scwrl_972241140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_972241140.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 159 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_234026036.pdb -s /var/tmp/to_scwrl_234026036.seq -o /var/tmp/from_scwrl_234026036.pdb > /var/tmp/scwrl_234026036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234026036.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 157 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1749697780.pdb -s /var/tmp/to_scwrl_1749697780.seq -o /var/tmp/from_scwrl_1749697780.pdb > /var/tmp/scwrl_1749697780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1749697780.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 154 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1174990863.pdb -s /var/tmp/to_scwrl_1174990863.seq -o /var/tmp/from_scwrl_1174990863.pdb > /var/tmp/scwrl_1174990863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174990863.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 111 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_279507011.pdb -s /var/tmp/to_scwrl_279507011.seq -o /var/tmp/from_scwrl_279507011.pdb > /var/tmp/scwrl_279507011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_279507011.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 123 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1629646242.pdb -s /var/tmp/to_scwrl_1629646242.seq -o /var/tmp/from_scwrl_1629646242.pdb > /var/tmp/scwrl_1629646242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1629646242.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 157 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1278694570.pdb -s /var/tmp/to_scwrl_1278694570.seq -o /var/tmp/from_scwrl_1278694570.pdb > /var/tmp/scwrl_1278694570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1278694570.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 T0374 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_707306019.pdb -s /var/tmp/to_scwrl_707306019.seq -o /var/tmp/from_scwrl_707306019.pdb > /var/tmp/scwrl_707306019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707306019.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 T0374 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2135887848.pdb -s /var/tmp/to_scwrl_2135887848.seq -o /var/tmp/from_scwrl_2135887848.pdb > /var/tmp/scwrl_2135887848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2135887848.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1246489839.pdb -s /var/tmp/to_scwrl_1246489839.seq -o /var/tmp/from_scwrl_1246489839.pdb > /var/tmp/scwrl_1246489839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246489839.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 T0374 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1089793915.pdb -s /var/tmp/to_scwrl_1089793915.seq -o /var/tmp/from_scwrl_1089793915.pdb > /var/tmp/scwrl_1089793915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1089793915.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_892769503.pdb -s /var/tmp/to_scwrl_892769503.seq -o /var/tmp/from_scwrl_892769503.pdb > /var/tmp/scwrl_892769503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_892769503.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_147939868.pdb -s /var/tmp/to_scwrl_147939868.seq -o /var/tmp/from_scwrl_147939868.pdb > /var/tmp/scwrl_147939868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147939868.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 T0374 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1101769830.pdb -s /var/tmp/to_scwrl_1101769830.seq -o /var/tmp/from_scwrl_1101769830.pdb > /var/tmp/scwrl_1101769830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101769830.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 T0374 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1248830575.pdb -s /var/tmp/to_scwrl_1248830575.seq -o /var/tmp/from_scwrl_1248830575.pdb > /var/tmp/scwrl_1248830575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1248830575.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1593790780.pdb -s /var/tmp/to_scwrl_1593790780.seq -o /var/tmp/from_scwrl_1593790780.pdb > /var/tmp/scwrl_1593790780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593790780.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 T0374 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_13687963.pdb -s /var/tmp/to_scwrl_13687963.seq -o /var/tmp/from_scwrl_13687963.pdb > /var/tmp/scwrl_13687963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13687963.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 146 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1262276410.pdb -s /var/tmp/to_scwrl_1262276410.seq -o /var/tmp/from_scwrl_1262276410.pdb > /var/tmp/scwrl_1262276410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1262276410.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 138 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1807141793.pdb -s /var/tmp/to_scwrl_1807141793.seq -o /var/tmp/from_scwrl_1807141793.pdb > /var/tmp/scwrl_1807141793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1807141793.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 158 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_713658296.pdb -s /var/tmp/to_scwrl_713658296.seq -o /var/tmp/from_scwrl_713658296.pdb > /var/tmp/scwrl_713658296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_713658296.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 138 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2051177012.pdb -s /var/tmp/to_scwrl_2051177012.seq -o /var/tmp/from_scwrl_2051177012.pdb > /var/tmp/scwrl_2051177012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051177012.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 126 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_848841152.pdb -s /var/tmp/to_scwrl_848841152.seq -o /var/tmp/from_scwrl_848841152.pdb > /var/tmp/scwrl_848841152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848841152.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1388511318.pdb -s /var/tmp/to_scwrl_1388511318.seq -o /var/tmp/from_scwrl_1388511318.pdb > /var/tmp/scwrl_1388511318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1388511318.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1154386178.pdb -s /var/tmp/to_scwrl_1154386178.seq -o /var/tmp/from_scwrl_1154386178.pdb > /var/tmp/scwrl_1154386178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154386178.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 T0374 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_232661710.pdb -s /var/tmp/to_scwrl_232661710.seq -o /var/tmp/from_scwrl_232661710.pdb > /var/tmp/scwrl_232661710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_232661710.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_341393903.pdb -s /var/tmp/to_scwrl_341393903.seq -o /var/tmp/from_scwrl_341393903.pdb > /var/tmp/scwrl_341393903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_341393903.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_640355935.pdb -s /var/tmp/to_scwrl_640355935.seq -o /var/tmp/from_scwrl_640355935.pdb > /var/tmp/scwrl_640355935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_640355935.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_402824403.pdb -s /var/tmp/to_scwrl_402824403.seq -o /var/tmp/from_scwrl_402824403.pdb > /var/tmp/scwrl_402824403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_402824403.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 T0374 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1001742240.pdb -s /var/tmp/to_scwrl_1001742240.seq -o /var/tmp/from_scwrl_1001742240.pdb > /var/tmp/scwrl_1001742240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1001742240.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 T0374 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_916681138.pdb -s /var/tmp/to_scwrl_916681138.seq -o /var/tmp/from_scwrl_916681138.pdb > /var/tmp/scwrl_916681138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916681138.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 T0374 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_714700237.pdb -s /var/tmp/to_scwrl_714700237.seq -o /var/tmp/from_scwrl_714700237.pdb > /var/tmp/scwrl_714700237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_714700237.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 T0374 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1973983380.pdb -s /var/tmp/to_scwrl_1973983380.seq -o /var/tmp/from_scwrl_1973983380.pdb > /var/tmp/scwrl_1973983380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1973983380.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 158 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1150707173.pdb -s /var/tmp/to_scwrl_1150707173.seq -o /var/tmp/from_scwrl_1150707173.pdb > /var/tmp/scwrl_1150707173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1150707173.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 159 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_316914370.pdb -s /var/tmp/to_scwrl_316914370.seq -o /var/tmp/from_scwrl_316914370.pdb > /var/tmp/scwrl_316914370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_316914370.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 159 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1001490597.pdb -s /var/tmp/to_scwrl_1001490597.seq -o /var/tmp/from_scwrl_1001490597.pdb > /var/tmp/scwrl_1001490597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1001490597.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 159 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1430214184.pdb -s /var/tmp/to_scwrl_1430214184.seq -o /var/tmp/from_scwrl_1430214184.pdb > /var/tmp/scwrl_1430214184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430214184.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 159 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1946560612.pdb -s /var/tmp/to_scwrl_1946560612.seq -o /var/tmp/from_scwrl_1946560612.pdb > /var/tmp/scwrl_1946560612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1946560612.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_132701521.pdb -s /var/tmp/to_scwrl_132701521.seq -o /var/tmp/from_scwrl_132701521.pdb > /var/tmp/scwrl_132701521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132701521.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2137520203.pdb -s /var/tmp/to_scwrl_2137520203.seq -o /var/tmp/from_scwrl_2137520203.pdb > /var/tmp/scwrl_2137520203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2137520203.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1934964813.pdb -s /var/tmp/to_scwrl_1934964813.seq -o /var/tmp/from_scwrl_1934964813.pdb > /var/tmp/scwrl_1934964813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934964813.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1379191360.pdb -s /var/tmp/to_scwrl_1379191360.seq -o /var/tmp/from_scwrl_1379191360.pdb > /var/tmp/scwrl_1379191360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379191360.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1079830471.pdb -s /var/tmp/to_scwrl_1079830471.seq -o /var/tmp/from_scwrl_1079830471.pdb > /var/tmp/scwrl_1079830471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079830471.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_680250669.pdb -s /var/tmp/to_scwrl_680250669.seq -o /var/tmp/from_scwrl_680250669.pdb > /var/tmp/scwrl_680250669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_680250669.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 T0374 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1527131228.pdb -s /var/tmp/to_scwrl_1527131228.seq -o /var/tmp/from_scwrl_1527131228.pdb > /var/tmp/scwrl_1527131228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1527131228.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_34116655.pdb -s /var/tmp/to_scwrl_34116655.seq -o /var/tmp/from_scwrl_34116655.pdb > /var/tmp/scwrl_34116655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34116655.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1929081245.pdb -s /var/tmp/to_scwrl_1929081245.seq -o /var/tmp/from_scwrl_1929081245.pdb > /var/tmp/scwrl_1929081245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1929081245.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_973438362.pdb -s /var/tmp/to_scwrl_973438362.seq -o /var/tmp/from_scwrl_973438362.pdb > /var/tmp/scwrl_973438362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_973438362.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 142 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_47804618.pdb -s /var/tmp/to_scwrl_47804618.seq -o /var/tmp/from_scwrl_47804618.pdb > /var/tmp/scwrl_47804618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47804618.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 141 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1043874009.pdb -s /var/tmp/to_scwrl_1043874009.seq -o /var/tmp/from_scwrl_1043874009.pdb > /var/tmp/scwrl_1043874009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1043874009.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 86 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_633096508.pdb -s /var/tmp/to_scwrl_633096508.seq -o /var/tmp/from_scwrl_633096508.pdb > /var/tmp/scwrl_633096508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_633096508.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 T0374 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_761462914.pdb -s /var/tmp/to_scwrl_761462914.seq -o /var/tmp/from_scwrl_761462914.pdb > /var/tmp/scwrl_761462914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761462914.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 T0374 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_947567374.pdb -s /var/tmp/to_scwrl_947567374.seq -o /var/tmp/from_scwrl_947567374.pdb > /var/tmp/scwrl_947567374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_947567374.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 T0374 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1481937659.pdb -s /var/tmp/to_scwrl_1481937659.seq -o /var/tmp/from_scwrl_1481937659.pdb > /var/tmp/scwrl_1481937659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1481937659.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 T0374 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2490585.pdb -s /var/tmp/to_scwrl_2490585.seq -o /var/tmp/from_scwrl_2490585.pdb > /var/tmp/scwrl_2490585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2490585.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 T0374 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2101953552.pdb -s /var/tmp/to_scwrl_2101953552.seq -o /var/tmp/from_scwrl_2101953552.pdb > /var/tmp/scwrl_2101953552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101953552.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 T0374 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1714599370.pdb -s /var/tmp/to_scwrl_1714599370.seq -o /var/tmp/from_scwrl_1714599370.pdb > /var/tmp/scwrl_1714599370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1714599370.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 T0374 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_343884488.pdb -s /var/tmp/to_scwrl_343884488.seq -o /var/tmp/from_scwrl_343884488.pdb > /var/tmp/scwrl_343884488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_343884488.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 T0374 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_594825840.pdb -s /var/tmp/to_scwrl_594825840.seq -o /var/tmp/from_scwrl_594825840.pdb > /var/tmp/scwrl_594825840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594825840.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 T0374 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2117423773.pdb -s /var/tmp/to_scwrl_2117423773.seq -o /var/tmp/from_scwrl_2117423773.pdb > /var/tmp/scwrl_2117423773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2117423773.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 T0374 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1345626728.pdb -s /var/tmp/to_scwrl_1345626728.seq -o /var/tmp/from_scwrl_1345626728.pdb > /var/tmp/scwrl_1345626728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1345626728.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1511506977.pdb -s /var/tmp/to_scwrl_1511506977.seq -o /var/tmp/from_scwrl_1511506977.pdb > /var/tmp/scwrl_1511506977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1511506977.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_684640363.pdb -s /var/tmp/to_scwrl_684640363.seq -o /var/tmp/from_scwrl_684640363.pdb > /var/tmp/scwrl_684640363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_684640363.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1172126461.pdb -s /var/tmp/to_scwrl_1172126461.seq -o /var/tmp/from_scwrl_1172126461.pdb > /var/tmp/scwrl_1172126461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1172126461.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_514730504.pdb -s /var/tmp/to_scwrl_514730504.seq -o /var/tmp/from_scwrl_514730504.pdb > /var/tmp/scwrl_514730504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514730504.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1001554734.pdb -s /var/tmp/to_scwrl_1001554734.seq -o /var/tmp/from_scwrl_1001554734.pdb > /var/tmp/scwrl_1001554734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1001554734.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_26133411.pdb -s /var/tmp/to_scwrl_26133411.seq -o /var/tmp/from_scwrl_26133411.pdb > /var/tmp/scwrl_26133411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_26133411.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1944944689.pdb -s /var/tmp/to_scwrl_1944944689.seq -o /var/tmp/from_scwrl_1944944689.pdb > /var/tmp/scwrl_1944944689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1944944689.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_800631699.pdb -s /var/tmp/to_scwrl_800631699.seq -o /var/tmp/from_scwrl_800631699.pdb > /var/tmp/scwrl_800631699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_800631699.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 150 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_158834932.pdb -s /var/tmp/to_scwrl_158834932.seq -o /var/tmp/from_scwrl_158834932.pdb > /var/tmp/scwrl_158834932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158834932.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 156 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1934981245.pdb -s /var/tmp/to_scwrl_1934981245.seq -o /var/tmp/from_scwrl_1934981245.pdb > /var/tmp/scwrl_1934981245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934981245.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 146 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_588112866.pdb -s /var/tmp/to_scwrl_588112866.seq -o /var/tmp/from_scwrl_588112866.pdb > /var/tmp/scwrl_588112866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_588112866.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 159 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1538026292.pdb -s /var/tmp/to_scwrl_1538026292.seq -o /var/tmp/from_scwrl_1538026292.pdb > /var/tmp/scwrl_1538026292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538026292.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 159 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_867328071.pdb -s /var/tmp/to_scwrl_867328071.seq -o /var/tmp/from_scwrl_867328071.pdb > /var/tmp/scwrl_867328071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_867328071.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1268363534.pdb -s /var/tmp/to_scwrl_1268363534.seq -o /var/tmp/from_scwrl_1268363534.pdb > /var/tmp/scwrl_1268363534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1268363534.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_917673874.pdb -s /var/tmp/to_scwrl_917673874.seq -o /var/tmp/from_scwrl_917673874.pdb > /var/tmp/scwrl_917673874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917673874.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_901444726.pdb -s /var/tmp/to_scwrl_901444726.seq -o /var/tmp/from_scwrl_901444726.pdb > /var/tmp/scwrl_901444726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901444726.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1049961133.pdb -s /var/tmp/to_scwrl_1049961133.seq -o /var/tmp/from_scwrl_1049961133.pdb > /var/tmp/scwrl_1049961133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049961133.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1891112235.pdb -s /var/tmp/to_scwrl_1891112235.seq -o /var/tmp/from_scwrl_1891112235.pdb > /var/tmp/scwrl_1891112235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1891112235.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_949249345.pdb -s /var/tmp/to_scwrl_949249345.seq -o /var/tmp/from_scwrl_949249345.pdb > /var/tmp/scwrl_949249345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_949249345.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 144 ; scwrl -i /var/tmp/to_scwrl_2093835141.pdb -s /var/tmp/to_scwrl_2093835141.seq -o /var/tmp/from_scwrl_2093835141.pdb > /var/tmp/scwrl_2093835141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093835141.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 144 ; scwrl -i /var/tmp/to_scwrl_376725097.pdb -s /var/tmp/to_scwrl_376725097.seq -o /var/tmp/from_scwrl_376725097.pdb > /var/tmp/scwrl_376725097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376725097.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1710712258.pdb -s /var/tmp/to_scwrl_1710712258.seq -o /var/tmp/from_scwrl_1710712258.pdb > /var/tmp/scwrl_1710712258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1710712258.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_893918868.pdb -s /var/tmp/to_scwrl_893918868.seq -o /var/tmp/from_scwrl_893918868.pdb > /var/tmp/scwrl_893918868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_893918868.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1858662756.pdb -s /var/tmp/to_scwrl_1858662756.seq -o /var/tmp/from_scwrl_1858662756.pdb > /var/tmp/scwrl_1858662756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858662756.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1713202844.pdb -s /var/tmp/to_scwrl_1713202844.seq -o /var/tmp/from_scwrl_1713202844.pdb > /var/tmp/scwrl_1713202844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1713202844.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_848388773.pdb -s /var/tmp/to_scwrl_848388773.seq -o /var/tmp/from_scwrl_848388773.pdb > /var/tmp/scwrl_848388773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848388773.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1425778479.pdb -s /var/tmp/to_scwrl_1425778479.seq -o /var/tmp/from_scwrl_1425778479.pdb > /var/tmp/scwrl_1425778479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425778479.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2057087332.pdb -s /var/tmp/to_scwrl_2057087332.seq -o /var/tmp/from_scwrl_2057087332.pdb > /var/tmp/scwrl_2057087332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057087332.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1443214613.pdb -s /var/tmp/to_scwrl_1443214613.seq -o /var/tmp/from_scwrl_1443214613.pdb > /var/tmp/scwrl_1443214613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1443214613.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 T0374 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1395718606.pdb -s /var/tmp/to_scwrl_1395718606.seq -o /var/tmp/from_scwrl_1395718606.pdb > /var/tmp/scwrl_1395718606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1395718606.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 T0374 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1255230413.pdb -s /var/tmp/to_scwrl_1255230413.seq -o /var/tmp/from_scwrl_1255230413.pdb > /var/tmp/scwrl_1255230413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255230413.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 T0374 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_807237944.pdb -s /var/tmp/to_scwrl_807237944.seq -o /var/tmp/from_scwrl_807237944.pdb > /var/tmp/scwrl_807237944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807237944.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 T0374 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2080358969.pdb -s /var/tmp/to_scwrl_2080358969.seq -o /var/tmp/from_scwrl_2080358969.pdb > /var/tmp/scwrl_2080358969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2080358969.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_279873228.pdb -s /var/tmp/to_scwrl_279873228.seq -o /var/tmp/from_scwrl_279873228.pdb > /var/tmp/scwrl_279873228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_279873228.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 T0374 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1321968448.pdb -s /var/tmp/to_scwrl_1321968448.seq -o /var/tmp/from_scwrl_1321968448.pdb > /var/tmp/scwrl_1321968448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321968448.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 T0374 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 144 ; scwrl -i /var/tmp/to_scwrl_934430056.pdb -s /var/tmp/to_scwrl_934430056.seq -o /var/tmp/from_scwrl_934430056.pdb > /var/tmp/scwrl_934430056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_934430056.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 T0374 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 144 ; scwrl -i /var/tmp/to_scwrl_306006640.pdb -s /var/tmp/to_scwrl_306006640.seq -o /var/tmp/from_scwrl_306006640.pdb > /var/tmp/scwrl_306006640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_306006640.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 T0374 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 144 ; scwrl -i /var/tmp/to_scwrl_1119429490.pdb -s /var/tmp/to_scwrl_1119429490.seq -o /var/tmp/from_scwrl_1119429490.pdb > /var/tmp/scwrl_1119429490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1119429490.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 T0374 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 144 ; scwrl -i /var/tmp/to_scwrl_1735061755.pdb -s /var/tmp/to_scwrl_1735061755.seq -o /var/tmp/from_scwrl_1735061755.pdb > /var/tmp/scwrl_1735061755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1735061755.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 T0374 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 144 ; scwrl -i /var/tmp/to_scwrl_464841572.pdb -s /var/tmp/to_scwrl_464841572.seq -o /var/tmp/from_scwrl_464841572.pdb > /var/tmp/scwrl_464841572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464841572.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_906927089.pdb -s /var/tmp/to_scwrl_906927089.seq -o /var/tmp/from_scwrl_906927089.pdb > /var/tmp/scwrl_906927089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906927089.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 137 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_175690974.pdb -s /var/tmp/to_scwrl_175690974.seq -o /var/tmp/from_scwrl_175690974.pdb > /var/tmp/scwrl_175690974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_175690974.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2002867865.pdb -s /var/tmp/to_scwrl_2002867865.seq -o /var/tmp/from_scwrl_2002867865.pdb > /var/tmp/scwrl_2002867865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2002867865.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 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1774255159.pdb -s /var/tmp/to_scwrl_1774255159.seq -o /var/tmp/from_scwrl_1774255159.pdb > /var/tmp/scwrl_1774255159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1774255159.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 T0374 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1444054508.pdb -s /var/tmp/to_scwrl_1444054508.seq -o /var/tmp/from_scwrl_1444054508.pdb > /var/tmp/scwrl_1444054508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1444054508.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 142 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_773058092.pdb -s /var/tmp/to_scwrl_773058092.seq -o /var/tmp/from_scwrl_773058092.pdb > /var/tmp/scwrl_773058092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_773058092.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 149 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_528216239.pdb -s /var/tmp/to_scwrl_528216239.seq -o /var/tmp/from_scwrl_528216239.pdb > /var/tmp/scwrl_528216239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528216239.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 T0374 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 144 ; scwrl -i /var/tmp/to_scwrl_346531995.pdb -s /var/tmp/to_scwrl_346531995.seq -o /var/tmp/from_scwrl_346531995.pdb > /var/tmp/scwrl_346531995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346531995.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_516686681.pdb -s /var/tmp/to_scwrl_516686681.seq -o /var/tmp/from_scwrl_516686681.pdb > /var/tmp/scwrl_516686681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516686681.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 144 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1477465583.pdb -s /var/tmp/to_scwrl_1477465583.seq -o /var/tmp/from_scwrl_1477465583.pdb > /var/tmp/scwrl_1477465583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1477465583.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 156 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_292883489.pdb -s /var/tmp/to_scwrl_292883489.seq -o /var/tmp/from_scwrl_292883489.pdb > /var/tmp/scwrl_292883489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_292883489.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 110 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_893411778.pdb -s /var/tmp/to_scwrl_893411778.seq -o /var/tmp/from_scwrl_893411778.pdb > /var/tmp/scwrl_893411778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_893411778.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 159 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1040694195.pdb -s /var/tmp/to_scwrl_1040694195.seq -o /var/tmp/from_scwrl_1040694195.pdb > /var/tmp/scwrl_1040694195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1040694195.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 146 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1186802357.pdb -s /var/tmp/to_scwrl_1186802357.seq -o /var/tmp/from_scwrl_1186802357.pdb > /var/tmp/scwrl_1186802357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1186802357.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 143 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_604590887.pdb -s /var/tmp/to_scwrl_604590887.seq -o /var/tmp/from_scwrl_604590887.pdb > /var/tmp/scwrl_604590887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_604590887.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 144 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_606413392.pdb -s /var/tmp/to_scwrl_606413392.seq -o /var/tmp/from_scwrl_606413392.pdb > /var/tmp/scwrl_606413392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_606413392.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 11 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2035191130.pdb -s /var/tmp/to_scwrl_2035191130.seq -o /var/tmp/from_scwrl_2035191130.pdb > /var/tmp/scwrl_2035191130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035191130.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 138 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2030369367.pdb -s /var/tmp/to_scwrl_2030369367.seq -o /var/tmp/from_scwrl_2030369367.pdb > /var/tmp/scwrl_2030369367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030369367.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 145 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_516017078.pdb -s /var/tmp/to_scwrl_516017078.seq -o /var/tmp/from_scwrl_516017078.pdb > /var/tmp/scwrl_516017078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516017078.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 144 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1330922096.pdb -s /var/tmp/to_scwrl_1330922096.seq -o /var/tmp/from_scwrl_1330922096.pdb > /var/tmp/scwrl_1330922096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1330922096.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 73 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1278604326.pdb -s /var/tmp/to_scwrl_1278604326.seq -o /var/tmp/from_scwrl_1278604326.pdb > /var/tmp/scwrl_1278604326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1278604326.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 71 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1771247491.pdb -s /var/tmp/to_scwrl_1771247491.seq -o /var/tmp/from_scwrl_1771247491.pdb > /var/tmp/scwrl_1771247491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771247491.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 137 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2138160041.pdb -s /var/tmp/to_scwrl_2138160041.seq -o /var/tmp/from_scwrl_2138160041.pdb > /var/tmp/scwrl_2138160041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138160041.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1211479648.pdb -s /var/tmp/to_scwrl_1211479648.seq -o /var/tmp/from_scwrl_1211479648.pdb > /var/tmp/scwrl_1211479648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211479648.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2051120720.pdb -s /var/tmp/to_scwrl_2051120720.seq -o /var/tmp/from_scwrl_2051120720.pdb > /var/tmp/scwrl_2051120720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051120720.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1312644842.pdb -s /var/tmp/to_scwrl_1312644842.seq -o /var/tmp/from_scwrl_1312644842.pdb > /var/tmp/scwrl_1312644842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1312644842.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2145909705.pdb -s /var/tmp/to_scwrl_2145909705.seq -o /var/tmp/from_scwrl_2145909705.pdb > /var/tmp/scwrl_2145909705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2145909705.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_209643713.pdb -s /var/tmp/to_scwrl_209643713.seq -o /var/tmp/from_scwrl_209643713.pdb > /var/tmp/scwrl_209643713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209643713.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_284590686.pdb -s /var/tmp/to_scwrl_284590686.seq -o /var/tmp/from_scwrl_284590686.pdb > /var/tmp/scwrl_284590686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284590686.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1733487813.pdb -s /var/tmp/to_scwrl_1733487813.seq -o /var/tmp/from_scwrl_1733487813.pdb > /var/tmp/scwrl_1733487813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733487813.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_674485285.pdb -s /var/tmp/to_scwrl_674485285.seq -o /var/tmp/from_scwrl_674485285.pdb > /var/tmp/scwrl_674485285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_674485285.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1191517774.pdb -s /var/tmp/to_scwrl_1191517774.seq -o /var/tmp/from_scwrl_1191517774.pdb > /var/tmp/scwrl_1191517774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191517774.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1909178787.pdb -s /var/tmp/to_scwrl_1909178787.seq -o /var/tmp/from_scwrl_1909178787.pdb > /var/tmp/scwrl_1909178787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1909178787.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_529869503.pdb -s /var/tmp/to_scwrl_529869503.seq -o /var/tmp/from_scwrl_529869503.pdb > /var/tmp/scwrl_529869503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_529869503.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_818289288.pdb -s /var/tmp/to_scwrl_818289288.seq -o /var/tmp/from_scwrl_818289288.pdb > /var/tmp/scwrl_818289288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_818289288.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1205749648.pdb -s /var/tmp/to_scwrl_1205749648.seq -o /var/tmp/from_scwrl_1205749648.pdb > /var/tmp/scwrl_1205749648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1205749648.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1302927595.pdb -s /var/tmp/to_scwrl_1302927595.seq -o /var/tmp/from_scwrl_1302927595.pdb > /var/tmp/scwrl_1302927595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1302927595.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1346505526.pdb -s /var/tmp/to_scwrl_1346505526.seq -o /var/tmp/from_scwrl_1346505526.pdb > /var/tmp/scwrl_1346505526.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1346505526.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1552281643.pdb -s /var/tmp/to_scwrl_1552281643.seq -o /var/tmp/from_scwrl_1552281643.pdb > /var/tmp/scwrl_1552281643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1552281643.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1819614276.pdb -s /var/tmp/to_scwrl_1819614276.seq -o /var/tmp/from_scwrl_1819614276.pdb > /var/tmp/scwrl_1819614276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1819614276.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_676487463.pdb -s /var/tmp/to_scwrl_676487463.seq -o /var/tmp/from_scwrl_676487463.pdb > /var/tmp/scwrl_676487463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_676487463.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1845165133.pdb -s /var/tmp/to_scwrl_1845165133.seq -o /var/tmp/from_scwrl_1845165133.pdb > /var/tmp/scwrl_1845165133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845165133.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_565542407.pdb -s /var/tmp/to_scwrl_565542407.seq -o /var/tmp/from_scwrl_565542407.pdb > /var/tmp/scwrl_565542407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_565542407.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1717181657.pdb -s /var/tmp/to_scwrl_1717181657.seq -o /var/tmp/from_scwrl_1717181657.pdb > /var/tmp/scwrl_1717181657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1717181657.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_884483844.pdb -s /var/tmp/to_scwrl_884483844.seq -o /var/tmp/from_scwrl_884483844.pdb > /var/tmp/scwrl_884483844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_884483844.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 109 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1170133293.pdb -s /var/tmp/to_scwrl_1170133293.seq -o /var/tmp/from_scwrl_1170133293.pdb > /var/tmp/scwrl_1170133293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1170133293.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 144 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_176111403.pdb -s /var/tmp/to_scwrl_176111403.seq -o /var/tmp/from_scwrl_176111403.pdb > /var/tmp/scwrl_176111403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176111403.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 106 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_772191327.pdb -s /var/tmp/to_scwrl_772191327.seq -o /var/tmp/from_scwrl_772191327.pdb > /var/tmp/scwrl_772191327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_772191327.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 153 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1053019014.pdb -s /var/tmp/to_scwrl_1053019014.seq -o /var/tmp/from_scwrl_1053019014.pdb > /var/tmp/scwrl_1053019014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053019014.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 153 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_692128481.pdb -s /var/tmp/to_scwrl_692128481.seq -o /var/tmp/from_scwrl_692128481.pdb > /var/tmp/scwrl_692128481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_692128481.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 147 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2103113424.pdb -s /var/tmp/to_scwrl_2103113424.seq -o /var/tmp/from_scwrl_2103113424.pdb > /var/tmp/scwrl_2103113424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103113424.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 153 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_184139693.pdb -s /var/tmp/to_scwrl_184139693.seq -o /var/tmp/from_scwrl_184139693.pdb > /var/tmp/scwrl_184139693.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184139693.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 144 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_315892325.pdb -s /var/tmp/to_scwrl_315892325.seq -o /var/tmp/from_scwrl_315892325.pdb > /var/tmp/scwrl_315892325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_315892325.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 69 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2093789818.pdb -s /var/tmp/to_scwrl_2093789818.seq -o /var/tmp/from_scwrl_2093789818.pdb > /var/tmp/scwrl_2093789818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093789818.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 148 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1395619342.pdb -s /var/tmp/to_scwrl_1395619342.seq -o /var/tmp/from_scwrl_1395619342.pdb > /var/tmp/scwrl_1395619342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1395619342.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 143 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_219529398.pdb -s /var/tmp/to_scwrl_219529398.seq -o /var/tmp/from_scwrl_219529398.pdb > /var/tmp/scwrl_219529398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219529398.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 144 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1258951013.pdb -s /var/tmp/to_scwrl_1258951013.seq -o /var/tmp/from_scwrl_1258951013.pdb > /var/tmp/scwrl_1258951013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258951013.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 86 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1394045400.pdb -s /var/tmp/to_scwrl_1394045400.seq -o /var/tmp/from_scwrl_1394045400.pdb > /var/tmp/scwrl_1394045400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394045400.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 153 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_429173111.pdb -s /var/tmp/to_scwrl_429173111.seq -o /var/tmp/from_scwrl_429173111.pdb > /var/tmp/scwrl_429173111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_429173111.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 153 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1543541699.pdb -s /var/tmp/to_scwrl_1543541699.seq -o /var/tmp/from_scwrl_1543541699.pdb > /var/tmp/scwrl_1543541699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543541699.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_980049567.pdb -s /var/tmp/to_scwrl_980049567.seq -o /var/tmp/from_scwrl_980049567.pdb > /var/tmp/scwrl_980049567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_980049567.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1103658396.pdb -s /var/tmp/to_scwrl_1103658396.seq -o /var/tmp/from_scwrl_1103658396.pdb > /var/tmp/scwrl_1103658396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1103658396.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_587575827.pdb -s /var/tmp/to_scwrl_587575827.seq -o /var/tmp/from_scwrl_587575827.pdb > /var/tmp/scwrl_587575827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_587575827.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_741744707.pdb -s /var/tmp/to_scwrl_741744707.seq -o /var/tmp/from_scwrl_741744707.pdb > /var/tmp/scwrl_741744707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_741744707.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1633527899.pdb -s /var/tmp/to_scwrl_1633527899.seq -o /var/tmp/from_scwrl_1633527899.pdb > /var/tmp/scwrl_1633527899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633527899.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1405865114.pdb -s /var/tmp/to_scwrl_1405865114.seq -o /var/tmp/from_scwrl_1405865114.pdb > /var/tmp/scwrl_1405865114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1405865114.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1947494355.pdb -s /var/tmp/to_scwrl_1947494355.seq -o /var/tmp/from_scwrl_1947494355.pdb > /var/tmp/scwrl_1947494355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1947494355.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_788971848.pdb -s /var/tmp/to_scwrl_788971848.seq -o /var/tmp/from_scwrl_788971848.pdb > /var/tmp/scwrl_788971848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788971848.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_604886994.pdb -s /var/tmp/to_scwrl_604886994.seq -o /var/tmp/from_scwrl_604886994.pdb > /var/tmp/scwrl_604886994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_604886994.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1352292352.pdb -s /var/tmp/to_scwrl_1352292352.seq -o /var/tmp/from_scwrl_1352292352.pdb > /var/tmp/scwrl_1352292352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1352292352.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_461102477.pdb -s /var/tmp/to_scwrl_461102477.seq -o /var/tmp/from_scwrl_461102477.pdb > /var/tmp/scwrl_461102477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461102477.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 158 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1281374456.pdb -s /var/tmp/to_scwrl_1281374456.seq -o /var/tmp/from_scwrl_1281374456.pdb > /var/tmp/scwrl_1281374456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281374456.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 158 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1049973839.pdb -s /var/tmp/to_scwrl_1049973839.seq -o /var/tmp/from_scwrl_1049973839.pdb > /var/tmp/scwrl_1049973839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049973839.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 143 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1026644884.pdb -s /var/tmp/to_scwrl_1026644884.seq -o /var/tmp/from_scwrl_1026644884.pdb > /var/tmp/scwrl_1026644884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1026644884.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 159 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_851072468.pdb -s /var/tmp/to_scwrl_851072468.seq -o /var/tmp/from_scwrl_851072468.pdb > /var/tmp/scwrl_851072468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851072468.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 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1934457682.pdb -s /var/tmp/to_scwrl_1934457682.seq -o /var/tmp/from_scwrl_1934457682.pdb > /var/tmp/scwrl_1934457682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934457682.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_49294531.pdb -s /var/tmp/to_scwrl_49294531.seq -o /var/tmp/from_scwrl_49294531.pdb > /var/tmp/scwrl_49294531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_49294531.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1027183871.pdb -s /var/tmp/to_scwrl_1027183871.seq -o /var/tmp/from_scwrl_1027183871.pdb > /var/tmp/scwrl_1027183871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027183871.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 T0374 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_559165362.pdb -s /var/tmp/to_scwrl_559165362.seq -o /var/tmp/from_scwrl_559165362.pdb > /var/tmp/scwrl_559165362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559165362.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 T0374 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1102313544.pdb -s /var/tmp/to_scwrl_1102313544.seq -o /var/tmp/from_scwrl_1102313544.pdb > /var/tmp/scwrl_1102313544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102313544.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 T0374 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1719312351.pdb -s /var/tmp/to_scwrl_1719312351.seq -o /var/tmp/from_scwrl_1719312351.pdb > /var/tmp/scwrl_1719312351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719312351.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_514795139.pdb -s /var/tmp/to_scwrl_514795139.seq -o /var/tmp/from_scwrl_514795139.pdb > /var/tmp/scwrl_514795139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514795139.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1286453238.pdb -s /var/tmp/to_scwrl_1286453238.seq -o /var/tmp/from_scwrl_1286453238.pdb > /var/tmp/scwrl_1286453238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1286453238.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_2035204676.pdb -s /var/tmp/to_scwrl_2035204676.seq -o /var/tmp/from_scwrl_2035204676.pdb > /var/tmp/scwrl_2035204676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035204676.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 144 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_461101310.pdb -s /var/tmp/to_scwrl_461101310.seq -o /var/tmp/from_scwrl_461101310.pdb > /var/tmp/scwrl_461101310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461101310.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 109 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_534588934.pdb -s /var/tmp/to_scwrl_534588934.seq -o /var/tmp/from_scwrl_534588934.pdb > /var/tmp/scwrl_534588934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_534588934.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 74 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_107250428.pdb -s /var/tmp/to_scwrl_107250428.seq -o /var/tmp/from_scwrl_107250428.pdb > /var/tmp/scwrl_107250428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_107250428.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1720052323.pdb -s /var/tmp/to_scwrl_1720052323.seq -o /var/tmp/from_scwrl_1720052323.pdb > /var/tmp/scwrl_1720052323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720052323.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 158 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1928634334.pdb -s /var/tmp/to_scwrl_1928634334.seq -o /var/tmp/from_scwrl_1928634334.pdb > /var/tmp/scwrl_1928634334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1928634334.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_536423539.pdb -s /var/tmp/to_scwrl_536423539.seq -o /var/tmp/from_scwrl_536423539.pdb > /var/tmp/scwrl_536423539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_536423539.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1116110375.pdb -s /var/tmp/to_scwrl_1116110375.seq -o /var/tmp/from_scwrl_1116110375.pdb > /var/tmp/scwrl_1116110375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1116110375.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_761200254.pdb -s /var/tmp/to_scwrl_761200254.seq -o /var/tmp/from_scwrl_761200254.pdb > /var/tmp/scwrl_761200254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761200254.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 157 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1640081935.pdb -s /var/tmp/to_scwrl_1640081935.seq -o /var/tmp/from_scwrl_1640081935.pdb > /var/tmp/scwrl_1640081935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640081935.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 T0374 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1703686203.pdb -s /var/tmp/to_scwrl_1703686203.seq -o /var/tmp/from_scwrl_1703686203.pdb > /var/tmp/scwrl_1703686203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1703686203.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 T0374 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1502944960.pdb -s /var/tmp/to_scwrl_1502944960.seq -o /var/tmp/from_scwrl_1502944960.pdb > /var/tmp/scwrl_1502944960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1502944960.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 T0374 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1126126188.pdb -s /var/tmp/to_scwrl_1126126188.seq -o /var/tmp/from_scwrl_1126126188.pdb > /var/tmp/scwrl_1126126188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1126126188.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 T0374 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_962067671.pdb -s /var/tmp/to_scwrl_962067671.seq -o /var/tmp/from_scwrl_962067671.pdb > /var/tmp/scwrl_962067671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_962067671.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 T0374 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1302955668.pdb -s /var/tmp/to_scwrl_1302955668.seq -o /var/tmp/from_scwrl_1302955668.pdb > /var/tmp/scwrl_1302955668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1302955668.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 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1915098036.pdb -s /var/tmp/to_scwrl_1915098036.seq -o /var/tmp/from_scwrl_1915098036.pdb > /var/tmp/scwrl_1915098036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915098036.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 137 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1566954665.pdb -s /var/tmp/to_scwrl_1566954665.seq -o /var/tmp/from_scwrl_1566954665.pdb > /var/tmp/scwrl_1566954665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1566954665.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 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_507764374.pdb -s /var/tmp/to_scwrl_507764374.seq -o /var/tmp/from_scwrl_507764374.pdb > /var/tmp/scwrl_507764374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_507764374.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_228716867.pdb -s /var/tmp/to_scwrl_228716867.seq -o /var/tmp/from_scwrl_228716867.pdb > /var/tmp/scwrl_228716867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228716867.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_700845475.pdb -s /var/tmp/to_scwrl_700845475.seq -o /var/tmp/from_scwrl_700845475.pdb > /var/tmp/scwrl_700845475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_700845475.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 T0374 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1557738212.pdb -s /var/tmp/to_scwrl_1557738212.seq -o /var/tmp/from_scwrl_1557738212.pdb > /var/tmp/scwrl_1557738212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557738212.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1255361750.pdb -s /var/tmp/to_scwrl_1255361750.seq -o /var/tmp/from_scwrl_1255361750.pdb > /var/tmp/scwrl_1255361750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255361750.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 T0374 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1551917942.pdb -s /var/tmp/to_scwrl_1551917942.seq -o /var/tmp/from_scwrl_1551917942.pdb > /var/tmp/scwrl_1551917942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1551917942.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 T0374 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1344712247.pdb -s /var/tmp/to_scwrl_1344712247.seq -o /var/tmp/from_scwrl_1344712247.pdb > /var/tmp/scwrl_1344712247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344712247.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1304656281.pdb -s /var/tmp/to_scwrl_1304656281.seq -o /var/tmp/from_scwrl_1304656281.pdb > /var/tmp/scwrl_1304656281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304656281.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 T0374 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_431618166.pdb -s /var/tmp/to_scwrl_431618166.seq -o /var/tmp/from_scwrl_431618166.pdb > /var/tmp/scwrl_431618166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431618166.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 T0374 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_1903877610.pdb -s /var/tmp/to_scwrl_1903877610.seq -o /var/tmp/from_scwrl_1903877610.pdb > /var/tmp/scwrl_1903877610.log Error: can't open any of /var/tmp/from_scwrl_1903877610.pdb or /var/tmp/from_scwrl_1903877610_b.pdb or /var/tmp/from_scwrl_1903877610_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_259486180.pdb -s /var/tmp/to_scwrl_259486180.seq -o /var/tmp/from_scwrl_259486180.pdb > /var/tmp/scwrl_259486180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_259486180.pdb # conformation set from SCWRL output # naming current conformation panther3_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl -i /var/tmp/to_scwrl_3446870.pdb -s /var/tmp/to_scwrl_3446870.seq -o /var/tmp/from_scwrl_3446870.pdb > /var/tmp/scwrl_3446870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3446870.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 43.402 sec, elapsed time= 780.716 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 429.359 real_cost = -63.833 shub_TS1 costs 420.591 real_cost = -67.206 panther3_TS1-scwrl costs 1274.260 real_cost = 439.395 panther3_TS1 costs 1183.787 real_cost = 433.445 panther2_TS1-scwrl costs 954.523 real_cost = 205.989 nFOLD_TS5-scwrl costs 467.806 real_cost = -15.189 nFOLD_TS5 costs 10581.480 real_cost = 48.513 nFOLD_TS4-scwrl costs 465.460 real_cost = -25.952 nFOLD_TS4 costs 24261.483 real_cost = 52.728 nFOLD_TS3-scwrl costs 406.107 real_cost = -62.497 nFOLD_TS3 costs 24865.669 real_cost = 7.278 nFOLD_TS2-scwrl costs 475.023 real_cost = -22.140 nFOLD_TS2 costs 15202.360 real_cost = 32.219 nFOLD_TS1-scwrl costs 497.852 real_cost = -14.079 nFOLD_TS1 costs 12749.710 real_cost = 63.532 mGen-3D_TS1-scwrl costs 454.986 real_cost = -0.612 mGen-3D_TS1 costs 14335.061 real_cost = 70.334 keasar-server_TS5-scwrl costs 373.694 real_cost = 24.530 keasar-server_TS5 costs 375.306 real_cost = 27.187 keasar-server_TS4-scwrl costs 369.102 real_cost = -27.672 keasar-server_TS4 costs 369.338 real_cost = -21.519 keasar-server_TS3-scwrl costs 367.754 real_cost = -25.590 keasar-server_TS3 costs 367.762 real_cost = -12.102 keasar-server_TS2-scwrl costs 365.933 real_cost = -35.989 keasar-server_TS2 costs 370.070 real_cost = -33.295 keasar-server_TS1-scwrl costs 362.856 real_cost = -36.997 keasar-server_TS1 costs 364.053 real_cost = -32.053 karypis.srv_TS5-scwrl costs 436.450 real_cost = 59.310 karypis.srv_TS5 costs 420.089 real_cost = 58.422 karypis.srv_TS4-scwrl costs 621.100 real_cost = 77.941 karypis.srv_TS4 costs 615.641 real_cost = 77.294 karypis.srv_TS3-scwrl costs 569.206 real_cost = 74.183 karypis.srv_TS3 costs 554.092 real_cost = 74.436 karypis.srv_TS2-scwrl costs 514.912 real_cost = -9.745 karypis.srv_TS2 costs 499.929 real_cost = -7.619 karypis.srv_TS1-scwrl costs 419.727 real_cost = -14.717 karypis.srv_TS1 costs 403.218 real_cost = -22.919 karypis.srv.4_TS5-scwrl costs 527.187 real_cost = 278.846 karypis.srv.4_TS5 costs 527.187 real_cost = 278.846 karypis.srv.4_TS4-scwrl costs 568.701 real_cost = 316.473 karypis.srv.4_TS4 costs 569.998 real_cost = 317.242 karypis.srv.4_TS3-scwrl costs 533.173 real_cost = 315.520 karypis.srv.4_TS3 costs 532.732 real_cost = 314.174 karypis.srv.4_TS2-scwrl costs 576.231 real_cost = 279.854 karypis.srv.4_TS2 costs 576.502 real_cost = 279.853 karypis.srv.4_TS1-scwrl costs 520.506 real_cost = 253.472 karypis.srv.4_TS1 costs 520.506 real_cost = 253.472 karypis.srv.2_TS5-scwrl costs 529.302 real_cost = 131.510 karypis.srv.2_TS5 costs 528.031 real_cost = 131.515 karypis.srv.2_TS4-scwrl costs 497.496 real_cost = 105.715 karypis.srv.2_TS4 costs 497.496 real_cost = 105.715 karypis.srv.2_TS3-scwrl costs 565.268 real_cost = 156.121 karypis.srv.2_TS3 costs 565.268 real_cost = 156.121 karypis.srv.2_TS2-scwrl costs 446.182 real_cost = 101.482 karypis.srv.2_TS2 costs 446.182 real_cost = 101.482 karypis.srv.2_TS1-scwrl costs 416.392 real_cost = 65.553 karypis.srv.2_TS1 costs 417.705 real_cost = 66.546 forecast-s_AL5-scwrl costs 526.820 real_cost = 4.136 forecast-s_AL5 costs 295109.168 real_cost = 89.983 forecast-s_AL4-scwrl costs 529.150 real_cost = 39.353 forecast-s_AL4 costs 33332.736 real_cost = 130.369 forecast-s_AL3-scwrl costs 680.633 real_cost = 224.868 forecast-s_AL3 costs 48558.143 real_cost = 313.096 forecast-s_AL2-scwrl costs 627.608 real_cost = 93.637 forecast-s_AL2 costs 431748.535 real_cost = 178.042 forecast-s_AL1-scwrl costs 508.810 real_cost = 42.451 forecast-s_AL1 costs 57399.658 real_cost = 104.931 beautshotbase_TS1-scwrl costs 419.081 real_cost = -55.592 beautshotbase_TS1 costs 423.152 real_cost = -55.153 beautshot_TS1-scwrl costs 427.075 real_cost = -82.344 beautshot_TS1 costs 423.947 real_cost = -76.478 Zhang-Server_TS5-scwrl costs 355.132 real_cost = -73.371 Zhang-Server_TS5 costs 355.105 real_cost = -73.337 Zhang-Server_TS4-scwrl costs 359.600 real_cost = -95.167 Zhang-Server_TS4 costs 359.600 real_cost = -95.167 Zhang-Server_TS3-scwrl costs 350.364 real_cost = -103.804 Zhang-Server_TS3 costs 350.364 real_cost = -103.804 Zhang-Server_TS2-scwrl costs 347.775 real_cost = -111.445 Zhang-Server_TS2 costs 347.879 real_cost = -112.150 Zhang-Server_TS1-scwrl costs 351.217 real_cost = -98.381 Zhang-Server_TS1 costs 351.217 real_cost = -98.381 UNI-EID_sfst_AL5-scwrl costs 428.529 real_cost = -86.452 UNI-EID_sfst_AL5 costs 138099.403 real_cost = -1.460 UNI-EID_sfst_AL4-scwrl costs 440.487 real_cost = -51.996 UNI-EID_sfst_AL4 costs 99066.659 real_cost = 37.610 UNI-EID_sfst_AL3-scwrl costs 657.530 real_cost = 68.748 UNI-EID_sfst_AL3 costs 69367.721 real_cost = 149.617 UNI-EID_sfst_AL2-scwrl costs 442.418 real_cost = -51.386 UNI-EID_sfst_AL2 costs 90290.669 real_cost = 36.252 UNI-EID_sfst_AL1-scwrl costs 418.317 real_cost = -55.852 UNI-EID_sfst_AL1 costs 38956.939 real_cost = 44.659 UNI-EID_expm_TS1-scwrl costs 446.104 real_cost = -68.829 UNI-EID_expm_TS1 costs 8234.300 real_cost = 6.590 UNI-EID_bnmx_TS5-scwrl costs 428.529 real_cost = -86.452 UNI-EID_bnmx_TS5 costs 138099.403 real_cost = -1.460 UNI-EID_bnmx_TS4-scwrl costs 440.487 real_cost = -51.996 UNI-EID_bnmx_TS4 costs 99066.659 real_cost = 37.610 UNI-EID_bnmx_TS3-scwrl costs 578.694 real_cost = 39.740 UNI-EID_bnmx_TS3 costs 69992.806 real_cost = 121.570 UNI-EID_bnmx_TS2-scwrl costs 405.825 real_cost = -46.210 UNI-EID_bnmx_TS2 costs 88089.637 real_cost = 50.635 UNI-EID_bnmx_TS1-scwrl costs 421.740 real_cost = -53.847 UNI-EID_bnmx_TS1 costs 38960.621 real_cost = 46.638 SPARKS2_TS5-scwrl costs 371.339 real_cost = 6.455 SPARKS2_TS5 costs 377.233 real_cost = 12.280 SPARKS2_TS4-scwrl costs 360.541 real_cost = -57.402 SPARKS2_TS4 costs 368.242 real_cost = -54.779 SPARKS2_TS3-scwrl costs 422.153 real_cost = 53.069 SPARKS2_TS3 costs 412.029 real_cost = 50.907 SPARKS2_TS2-scwrl costs 353.831 real_cost = -45.945 SPARKS2_TS2 costs 360.764 real_cost = -42.670 SPARKS2_TS1-scwrl costs 344.877 real_cost = -78.027 SPARKS2_TS1 costs 353.950 real_cost = -79.476 SP4_TS5-scwrl costs 368.995 real_cost = -32.425 SP4_TS5 costs 376.830 real_cost = -27.530 SP4_TS4-scwrl costs 353.419 real_cost = -1.111 SP4_TS4 costs 362.120 real_cost = 3.860 SP4_TS3-scwrl costs 352.910 real_cost = -44.147 SP4_TS3 costs 360.422 real_cost = -42.645 SP4_TS2-scwrl costs 349.905 real_cost = -52.615 SP4_TS2 costs 355.742 real_cost = -50.779 SP4_TS1-scwrl costs 346.009 real_cost = -33.698 SP4_TS1 costs 351.036 real_cost = -31.679 SP3_TS5-scwrl costs 352.883 real_cost = -64.914 SP3_TS5 costs 355.025 real_cost = -62.347 SP3_TS4-scwrl costs 355.856 real_cost = -42.587 SP3_TS4 costs 362.493 real_cost = -46.949 SP3_TS3-scwrl costs 403.444 real_cost = 21.786 SP3_TS3 costs 409.837 real_cost = 20.354 SP3_TS2-scwrl costs 358.175 real_cost = -34.119 SP3_TS2 costs 367.120 real_cost = -36.415 SP3_TS1-scwrl costs 344.343 real_cost = -82.187 SP3_TS1 costs 349.328 real_cost = -80.844 SAM_T06_server_TS5-scwrl costs 493.269 real_cost = -28.971 SAM_T06_server_TS5 costs 428.593 real_cost = -58.311 SAM_T06_server_TS4-scwrl costs 594.062 real_cost = 6.445 SAM_T06_server_TS4 costs 484.507 real_cost = -35.224 SAM_T06_server_TS3-scwrl costs 716.631 real_cost = 59.890 SAM_T06_server_TS3 costs 556.755 real_cost = 4.647 SAM_T06_server_TS2-scwrl costs 451.910 real_cost = -52.318 SAM_T06_server_TS2 costs 403.100 real_cost = -68.091 SAM_T06_server_TS1-scwrl costs 317.962 real_cost = -127.300 SAM_T06_server_TS1 costs 308.863 real_cost = -123.114 SAM-T99_AL5-scwrl costs 398.347 real_cost = -57.120 SAM-T99_AL5 costs 152136.977 real_cost = 51.129 SAM-T99_AL4-scwrl costs 562.595 real_cost = 1.439 SAM-T99_AL4 costs 50169.109 real_cost = 93.055 SAM-T99_AL3-scwrl costs 420.501 real_cost = -46.491 SAM-T99_AL3 costs 149690.029 real_cost = 49.832 SAM-T99_AL2-scwrl costs 417.129 real_cost = -49.696 SAM-T99_AL2 costs 87808.036 real_cost = 47.137 SAM-T99_AL1-scwrl costs 410.317 real_cost = -56.977 SAM-T99_AL1 costs 57934.960 real_cost = 40.890 SAM-T02_AL5-scwrl costs 634.615 real_cost = 59.781 SAM-T02_AL5 costs 31640.771 real_cost = 133.742 SAM-T02_AL4-scwrl costs 465.282 real_cost = 41.734 SAM-T02_AL4 costs 96677.650 real_cost = 141.017 SAM-T02_AL3-scwrl costs 468.191 real_cost = 27.133 SAM-T02_AL3 costs 68826.499 real_cost = 124.426 SAM-T02_AL2-scwrl costs 453.335 real_cost = -5.238 SAM-T02_AL2 costs 87031.347 real_cost = 97.080 SAM-T02_AL1-scwrl costs 465.867 real_cost = 10.671 SAM-T02_AL1 costs 97789.515 real_cost = 102.828 ROKKY_TS5-scwrl costs 402.210 real_cost = 30.809 ROKKY_TS5 costs 411.246 real_cost = 27.372 ROKKY_TS4-scwrl costs 343.447 real_cost = -79.678 ROKKY_TS4 costs 350.677 real_cost = -78.722 ROKKY_TS3-scwrl costs 354.138 real_cost = -90.384 ROKKY_TS3 costs 360.472 real_cost = -78.396 ROKKY_TS2-scwrl costs 355.641 real_cost = -77.057 ROKKY_TS2 costs 363.261 real_cost = -77.254 ROKKY_TS1-scwrl costs 353.818 real_cost = -72.466 ROKKY_TS1 costs 360.121 real_cost = -73.841 ROBETTA_TS5-scwrl costs 338.951 real_cost = -75.261 ROBETTA_TS5 costs 331.686 real_cost = -70.433 ROBETTA_TS4-scwrl costs 328.912 real_cost = -66.895 ROBETTA_TS4 costs 322.426 real_cost = -62.231 ROBETTA_TS3-scwrl costs 341.865 real_cost = -64.763 ROBETTA_TS3 costs 329.823 real_cost = -68.664 ROBETTA_TS2-scwrl costs 340.921 real_cost = -58.270 ROBETTA_TS2 costs 338.217 real_cost = -57.553 ROBETTA_TS1-scwrl costs 331.632 real_cost = -59.356 ROBETTA_TS1 costs 325.963 real_cost = -62.269 RAPTOR_TS5-scwrl costs 344.256 real_cost = -38.280 RAPTOR_TS5 costs 352.085 real_cost = -34.966 RAPTOR_TS4-scwrl costs 345.628 real_cost = -84.622 RAPTOR_TS4 costs 352.823 real_cost = -79.683 RAPTOR_TS3-scwrl costs 361.650 real_cost = -42.852 RAPTOR_TS3 costs 363.477 real_cost = -44.708 RAPTOR_TS2-scwrl costs 328.986 real_cost = -103.670 RAPTOR_TS2 costs 337.011 real_cost = -100.328 RAPTOR_TS1-scwrl costs 356.404 real_cost = -63.490 RAPTOR_TS1 costs 366.457 real_cost = -60.503 RAPTORESS_TS5-scwrl costs 354.880 real_cost = -35.867 RAPTORESS_TS5 costs 360.485 real_cost = -31.480 RAPTORESS_TS4-scwrl costs 350.148 real_cost = -74.708 RAPTORESS_TS4 costs 355.532 real_cost = -69.090 RAPTORESS_TS3-scwrl costs 353.385 real_cost = -27.956 RAPTORESS_TS3 costs 356.277 real_cost = -18.795 RAPTORESS_TS2-scwrl costs 334.474 real_cost = -97.362 RAPTORESS_TS2 costs 339.411 real_cost = -90.612 RAPTORESS_TS1-scwrl costs 354.207 real_cost = -48.358 RAPTORESS_TS1 costs 358.634 real_cost = -40.901 RAPTOR-ACE_TS5-scwrl costs 358.175 real_cost = -34.119 RAPTOR-ACE_TS5 costs 367.120 real_cost = -36.415 RAPTOR-ACE_TS4-scwrl costs 376.735 real_cost = -39.045 RAPTOR-ACE_TS4 costs 1083.209 real_cost = -34.157 RAPTOR-ACE_TS3-scwrl costs 355.907 real_cost = -76.370 RAPTOR-ACE_TS3 costs 7418.775 real_cost = -69.727 RAPTOR-ACE_TS2-scwrl costs 345.368 real_cost = -95.362 RAPTOR-ACE_TS2 costs 354.681 real_cost = -88.229 RAPTOR-ACE_TS1-scwrl costs 344.552 real_cost = -66.977 RAPTOR-ACE_TS1 costs 353.265 real_cost = -60.849 Pmodeller6_TS5-scwrl costs 607.634 real_cost = 54.159 Pmodeller6_TS5 costs 591.465 real_cost = 48.489 Pmodeller6_TS4-scwrl costs 331.632 real_cost = -59.356 Pmodeller6_TS4 costs 325.963 real_cost = -62.269 Pmodeller6_TS3-scwrl costs 400.969 real_cost = 4.217 Pmodeller6_TS3 costs 400.969 real_cost = 4.217 Pmodeller6_TS2-scwrl costs 341.865 real_cost = -64.763 Pmodeller6_TS2 costs 329.823 real_cost = -68.664 Pmodeller6_TS1-scwrl costs 328.912 real_cost = -66.895 Pmodeller6_TS1 costs 322.426 real_cost = -62.231 Phyre-2_TS5-scwrl costs 394.904 real_cost = -37.083 Phyre-2_TS5 costs 417.866 real_cost = -42.905 Phyre-2_TS4-scwrl costs 394.904 real_cost = -37.083 Phyre-2_TS4 costs 417.866 real_cost = -42.905 Phyre-2_TS3-scwrl costs 394.904 real_cost = -37.083 Phyre-2_TS3 costs 417.866 real_cost = -42.905 Phyre-2_TS2-scwrl costs 415.544 real_cost = -33.192 Phyre-2_TS2 costs 448.205 real_cost = -40.157 Phyre-2_TS1-scwrl costs 393.188 real_cost = -65.178 Phyre-2_TS1 costs 417.719 real_cost = -71.836 Phyre-1_TS1-scwrl costs 387.026 real_cost = -95.474 Phyre-1_TS1 costs 368.980 real_cost = -102.241 Pcons6_TS5-scwrl costs 404.021 real_cost = 18.154 Pcons6_TS5 costs 404.024 real_cost = 18.154 Pcons6_TS4-scwrl costs 396.259 real_cost = -17.072 Pcons6_TS4 costs 386.756 real_cost = -17.959 Pcons6_TS3-scwrl costs 421.853 real_cost = 18.454 Pcons6_TS3 costs 413.377 real_cost = 18.263 Pcons6_TS2-scwrl costs 406.300 real_cost = -20.315 Pcons6_TS2 costs 389.372 real_cost = -24.753 Pcons6_TS1-scwrl costs 409.124 real_cost = -15.243 Pcons6_TS1 costs 392.823 real_cost = -17.989 PROTINFO_TS5-scwrl costs 396.482 real_cost = 57.216 PROTINFO_TS5 costs 398.149 real_cost = 54.748 PROTINFO_TS4-scwrl costs 430.134 real_cost = 199.229 PROTINFO_TS4 costs 430.747 real_cost = 201.010 PROTINFO_TS3-scwrl costs 396.198 real_cost = 72.919 PROTINFO_TS3 costs 397.211 real_cost = 66.222 PROTINFO_TS2-scwrl costs 398.288 real_cost = 57.093 PROTINFO_TS2 costs 399.256 real_cost = 53.941 PROTINFO_TS1-scwrl costs 344.454 real_cost = -70.953 PROTINFO_TS1 costs 345.514 real_cost = -65.420 PROTINFO-AB_TS5-scwrl costs 351.180 real_cost = -52.903 PROTINFO-AB_TS5 costs 355.763 real_cost = -50.381 PROTINFO-AB_TS4-scwrl costs 352.365 real_cost = -45.366 PROTINFO-AB_TS4 costs 357.139 real_cost = -45.538 PROTINFO-AB_TS3-scwrl costs 351.298 real_cost = -42.198 PROTINFO-AB_TS3 costs 357.032 real_cost = -39.921 PROTINFO-AB_TS2-scwrl costs 349.459 real_cost = -51.962 PROTINFO-AB_TS2 costs 353.265 real_cost = -55.507 PROTINFO-AB_TS1-scwrl costs 348.950 real_cost = -42.839 PROTINFO-AB_TS1 costs 355.558 real_cost = -45.573 POMYSL_TS5-scwrl costs 1144.995 real_cost = 495.563 POMYSL_TS5 costs 1142.797 real_cost = 498.498 POMYSL_TS4-scwrl costs 1139.317 real_cost = 512.331 POMYSL_TS4 costs 1134.317 real_cost = 510.254 POMYSL_TS3-scwrl costs 1117.240 real_cost = 435.359 POMYSL_TS3 costs 1113.524 real_cost = 458.370 POMYSL_TS2-scwrl costs 1133.293 real_cost = 432.256 POMYSL_TS2 costs 1129.748 real_cost = 443.766 POMYSL_TS1-scwrl costs 1126.811 real_cost = 460.958 POMYSL_TS1 costs 1121.531 real_cost = 453.073 NN_PUT_lab_TS1-scwrl costs 539.951 real_cost = 7.198 NN_PUT_lab_TS1 costs 526.682 real_cost = 12.038 MetaTasser_TS2-scwrl costs 486.083 real_cost = 48.022 MetaTasser_TS2 costs 522.974 real_cost = 48.217 MetaTasser_TS1-scwrl costs 425.299 real_cost = -106.170 MetaTasser_TS1 costs 450.112 real_cost = -98.442 Ma-OPUS-server_TS5-scwrl costs 365.985 real_cost = -31.392 Ma-OPUS-server_TS5 costs 367.287 real_cost = -29.089 Ma-OPUS-server_TS4-scwrl costs 362.575 real_cost = 10.860 Ma-OPUS-server_TS4 costs 369.048 real_cost = 11.367 Ma-OPUS-server_TS3-scwrl costs 349.469 real_cost = -71.473 Ma-OPUS-server_TS3 costs 356.013 real_cost = -66.391 Ma-OPUS-server_TS2-scwrl costs 346.837 real_cost = -59.331 Ma-OPUS-server_TS2 costs 353.198 real_cost = -59.062 Ma-OPUS-server_TS1-scwrl costs 363.566 real_cost = -54.617 Ma-OPUS-server_TS1 costs 369.446 real_cost = -48.014 Ma-OPUS-server2_TS5-scwrl costs 420.159 real_cost = 79.020 Ma-OPUS-server2_TS5 costs 428.772 real_cost = 87.365 Ma-OPUS-server2_TS4-scwrl costs 409.230 real_cost = 22.553 Ma-OPUS-server2_TS4 costs 409.947 real_cost = 30.436 Ma-OPUS-server2_TS3-scwrl costs 364.009 real_cost = -28.054 Ma-OPUS-server2_TS3 costs 364.884 real_cost = -27.322 Ma-OPUS-server2_TS2-scwrl costs 363.566 real_cost = -54.617 Ma-OPUS-server2_TS2 costs 369.446 real_cost = -48.014 Ma-OPUS-server2_TS1-scwrl costs 356.458 real_cost = -46.569 Ma-OPUS-server2_TS1 costs 367.620 real_cost = -44.663 MIG_FROST_AL1-scwrl costs 419.384 real_cost = 85.846 MIG_FROST_AL1 costs 87405.991 real_cost = 192.506 LOOPP_TS5-scwrl costs 511.101 real_cost = 11.318 LOOPP_TS5 costs 491.086 real_cost = 19.762 LOOPP_TS4-scwrl costs 489.752 real_cost = 29.030 LOOPP_TS4 costs 479.413 real_cost = 27.749 LOOPP_TS3-scwrl costs 529.316 real_cost = 29.022 LOOPP_TS3 costs 511.976 real_cost = 25.156 LOOPP_TS2-scwrl costs 488.646 real_cost = 17.782 LOOPP_TS2 costs 476.910 real_cost = 17.016 LOOPP_TS1-scwrl costs 539.951 real_cost = 7.198 LOOPP_TS1 costs 526.682 real_cost = 12.038 Huber-Torda-Server_TS5-scwrl costs 631.112 real_cost = 78.982 Huber-Torda-Server_TS5 costs 11178.565 real_cost = 118.603 Huber-Torda-Server_TS4-scwrl costs 738.859 real_cost = 229.063 Huber-Torda-Server_TS4 costs 8097.794 real_cost = 266.040 Huber-Torda-Server_TS3-scwrl costs 504.785 real_cost = -45.753 Huber-Torda-Server_TS3 costs 12089.624 real_cost = 4.533 Huber-Torda-Server_TS2-scwrl costs 521.437 real_cost = 44.393 Huber-Torda-Server_TS2 costs 16434.994 real_cost = 101.111 Huber-Torda-Server_TS1-scwrl costs 511.803 real_cost = 2.999 Huber-Torda-Server_TS1 costs 14563.000 real_cost = 53.851 HHpred3_TS1-scwrl costs 345.783 real_cost = -98.792 HHpred3_TS1 costs 352.344 real_cost = -93.325 HHpred2_TS1-scwrl costs 349.872 real_cost = -96.947 HHpred2_TS1 costs 356.755 real_cost = -99.790 HHpred1_TS1-scwrl costs 347.566 real_cost = -102.987 HHpred1_TS1 costs 356.571 real_cost = -96.746 GeneSilicoMetaServer_TS5-scwrl costs 371.483 real_cost = -18.289 GeneSilicoMetaServer_TS5 costs 379.376 real_cost = -9.140 GeneSilicoMetaServer_TS4-scwrl costs 374.336 real_cost = -74.484 GeneSilicoMetaServer_TS4 costs 383.630 real_cost = -69.827 GeneSilicoMetaServer_TS3-scwrl costs 343.079 real_cost = -39.236 GeneSilicoMetaServer_TS3 costs 357.781 real_cost = -33.860 GeneSilicoMetaServer_TS2-scwrl costs 398.548 real_cost = -39.465 GeneSilicoMetaServer_TS2 costs 387.663 real_cost = -38.561 GeneSilicoMetaServer_TS1-scwrl costs 370.765 real_cost = -59.047 GeneSilicoMetaServer_TS1 costs 373.244 real_cost = -61.469 Frankenstein_TS5-scwrl costs 377.832 real_cost = -14.071 Frankenstein_TS5 costs 384.454 real_cost = -8.117 Frankenstein_TS4-scwrl costs 372.136 real_cost = 100.268 Frankenstein_TS4 costs 378.334 real_cost = 105.772 Frankenstein_TS3-scwrl costs 372.102 real_cost = 3.819 Frankenstein_TS3 costs 376.699 real_cost = 10.132 Frankenstein_TS2-scwrl costs 360.841 real_cost = 1.281 Frankenstein_TS2 costs 368.438 real_cost = 3.708 Frankenstein_TS1-scwrl costs 366.451 real_cost = -0.616 Frankenstein_TS1 costs 373.487 real_cost = -4.546 FUNCTION_TS5-scwrl costs 368.240 real_cost = -101.826 FUNCTION_TS5 costs 373.340 real_cost = -103.287 FUNCTION_TS4-scwrl costs 366.162 real_cost = -46.085 FUNCTION_TS4 costs 373.484 real_cost = -44.766 FUNCTION_TS3-scwrl costs 436.625 real_cost = -23.893 FUNCTION_TS3 costs 435.188 real_cost = -27.244 FUNCTION_TS2-scwrl costs 374.983 real_cost = -26.205 FUNCTION_TS2 costs 382.836 real_cost = -32.524 FUNCTION_TS1-scwrl costs 375.966 real_cost = -78.622 FUNCTION_TS1 costs 375.667 real_cost = -79.909 FUGUE_AL5-scwrl costs 525.943 real_cost = 33.728 FUGUE_AL5 costs 32103.484 real_cost = 131.059 FUGUE_AL4-scwrl costs 641.496 real_cost = 95.759 FUGUE_AL4 costs 736428.663 real_cost = 169.516 FUGUE_AL3-scwrl costs 489.054 real_cost = 55.277 FUGUE_AL3 costs 31833.941 real_cost = 155.912 FUGUE_AL2-scwrl costs 438.897 real_cost = 8.215 FUGUE_AL2 costs 75022.731 real_cost = 104.163 FUGUE_AL1-scwrl costs 473.786 real_cost = 17.084 FUGUE_AL1 costs 119529.975 real_cost = 118.473 FUGMOD_TS5-scwrl costs 509.847 real_cost = 29.091 FUGMOD_TS5 costs 505.529 real_cost = 33.455 FUGMOD_TS4-scwrl costs 373.714 real_cost = 45.358 FUGMOD_TS4 costs 377.711 real_cost = 44.817 FUGMOD_TS3-scwrl costs 451.928 real_cost = 39.227 FUGMOD_TS3 costs 450.365 real_cost = 48.842 FUGMOD_TS2-scwrl costs 405.635 real_cost = -10.549 FUGMOD_TS2 costs 396.524 real_cost = -18.276 FUGMOD_TS1-scwrl costs 398.915 real_cost = -13.261 FUGMOD_TS1 costs 407.226 real_cost = -3.443 FPSOLVER-SERVER_TS5-scwrl costs 486.170 real_cost = 297.649 FPSOLVER-SERVER_TS5 costs 486.841 real_cost = 304.407 FPSOLVER-SERVER_TS4-scwrl costs 486.408 real_cost = 345.909 FPSOLVER-SERVER_TS4 costs 486.594 real_cost = 349.178 FPSOLVER-SERVER_TS3-scwrl costs 516.907 real_cost = 340.479 FPSOLVER-SERVER_TS3 costs 516.462 real_cost = 342.309 FPSOLVER-SERVER_TS2-scwrl costs 484.835 real_cost = 347.098 FPSOLVER-SERVER_TS2 costs 486.044 real_cost = 350.664 FPSOLVER-SERVER_TS1-scwrl costs 503.453 real_cost = 353.095 FPSOLVER-SERVER_TS1 costs 500.567 real_cost = 353.449 FORTE2_AL5-scwrl costs 479.725 real_cost = 138.929 FORTE2_AL5 costs 73616.401 real_cost = 234.494 FORTE2_AL4-scwrl costs 1057.256 real_cost = 34.065 FORTE2_AL4 costs 156486.846 real_cost = 34.065 FORTE2_AL3-scwrl costs 417.998 real_cost = -23.629 FORTE2_AL3 costs 64631.012 real_cost = 78.311 FORTE2_AL2-scwrl costs 460.607 real_cost = 22.994 FORTE2_AL2 costs 75635.571 real_cost = 120.735 FORTE2_AL1-scwrl costs 395.760 real_cost = -0.639 FORTE2_AL1 costs 40351.399 real_cost = 105.191 FORTE1_AL5-scwrl costs 1057.399 real_cost = 35.286 FORTE1_AL5 costs 156378.995 real_cost = 35.286 FORTE1_AL4-scwrl costs 497.612 real_cost = 111.311 FORTE1_AL4 costs 272696.742 real_cost = 206.380 FORTE1_AL3-scwrl costs 394.915 real_cost = 0.719 FORTE1_AL3 costs 40346.923 real_cost = 106.304 FORTE1_AL2-scwrl costs 460.607 real_cost = 22.994 FORTE1_AL2 costs 75635.571 real_cost = 120.735 FORTE1_AL1-scwrl costs 417.998 real_cost = -23.629 FORTE1_AL1 costs 64631.012 real_cost = 78.311 FOLDpro_TS5-scwrl costs 369.365 real_cost = 1.557 FOLDpro_TS5 costs 375.363 real_cost = 3.654 FOLDpro_TS4-scwrl costs 390.682 real_cost = 118.561 FOLDpro_TS4 costs 395.687 real_cost = 120.529 FOLDpro_TS3-scwrl costs 386.435 real_cost = 69.968 FOLDpro_TS3 costs 392.622 real_cost = 72.772 FOLDpro_TS2-scwrl costs 367.265 real_cost = -98.112 FOLDpro_TS2 costs 374.429 real_cost = -97.164 FOLDpro_TS1-scwrl costs 364.610 real_cost = -51.121 FOLDpro_TS1 costs 373.480 real_cost = -45.062 FAMS_TS5-scwrl costs 366.162 real_cost = -46.085 FAMS_TS5 costs 373.484 real_cost = -44.766 FAMS_TS4-scwrl costs 375.966 real_cost = -78.622 FAMS_TS4 costs 375.667 real_cost = -79.909 FAMS_TS3-scwrl costs 399.664 real_cost = -60.960 FAMS_TS3 costs 385.915 real_cost = -59.877 FAMS_TS2-scwrl costs 375.866 real_cost = -73.859 FAMS_TS2 costs 382.906 real_cost = -71.619 FAMS_TS1-scwrl costs 368.632 real_cost = -42.741 FAMS_TS1 costs 374.870 real_cost = -38.279 FAMSD_TS5-scwrl costs 408.203 real_cost = -49.735 FAMSD_TS5 costs 404.352 real_cost = -48.247 FAMSD_TS4-scwrl costs 414.289 real_cost = -41.809 FAMSD_TS4 costs 400.793 real_cost = -40.609 FAMSD_TS3-scwrl costs 412.782 real_cost = -65.726 FAMSD_TS3 costs 399.590 real_cost = -55.955 FAMSD_TS2-scwrl costs 399.664 real_cost = -60.960 FAMSD_TS2 costs 385.915 real_cost = -59.877 FAMSD_TS1-scwrl costs 356.890 real_cost = -77.253 FAMSD_TS1 costs 359.851 real_cost = -66.925 Distill_TS5-scwrl costs 2416.999 real_cost = 268.989 Distill_TS4-scwrl costs 2421.019 real_cost = 265.774 Distill_TS3-scwrl costs 2415.933 real_cost = 267.319 Distill_TS2-scwrl costs 2415.287 real_cost = 263.730 Distill_TS1-scwrl costs 2421.510 real_cost = 271.059 CaspIta-FOX_TS5-scwrl costs 427.013 real_cost = -21.552 CaspIta-FOX_TS5 costs 417.685 real_cost = -29.409 CaspIta-FOX_TS4-scwrl costs 546.081 real_cost = 8.707 CaspIta-FOX_TS4 costs 530.624 real_cost = 2.478 CaspIta-FOX_TS3-scwrl costs 487.361 real_cost = -3.419 CaspIta-FOX_TS3 costs 477.161 real_cost = -8.979 CaspIta-FOX_TS2-scwrl costs 458.243 real_cost = 31.681 CaspIta-FOX_TS2 costs 435.751 real_cost = 25.432 CaspIta-FOX_TS1-scwrl costs 415.495 real_cost = -72.956 CaspIta-FOX_TS1 costs 397.990 real_cost = -84.798 CPHmodels_TS1-scwrl costs 852.338 real_cost = 185.677 CPHmodels_TS1 costs 842.135 real_cost = 183.003 CIRCLE_TS5-scwrl costs 410.498 real_cost = -104.513 CIRCLE_TS5 costs 413.345 real_cost = -106.268 CIRCLE_TS4-scwrl costs 405.840 real_cost = -73.678 CIRCLE_TS4 costs 411.686 real_cost = -64.123 CIRCLE_TS3-scwrl costs 403.543 real_cost = -62.850 CIRCLE_TS3 costs 411.266 real_cost = -61.002 CIRCLE_TS2-scwrl costs 403.104 real_cost = -29.960 CIRCLE_TS2 costs 408.562 real_cost = -32.848 CIRCLE_TS1-scwrl costs 375.866 real_cost = -73.859 CIRCLE_TS1 costs 382.906 real_cost = -71.619 Bilab-ENABLE_TS5-scwrl costs 368.284 real_cost = -18.687 Bilab-ENABLE_TS5 costs 368.284 real_cost = -18.687 Bilab-ENABLE_TS4-scwrl costs 364.437 real_cost = -35.428 Bilab-ENABLE_TS4 costs 364.437 real_cost = -35.428 Bilab-ENABLE_TS3-scwrl costs 344.615 real_cost = -53.959 Bilab-ENABLE_TS3 costs 344.615 real_cost = -53.959 Bilab-ENABLE_TS2-scwrl costs 347.551 real_cost = -67.804 Bilab-ENABLE_TS2 costs 347.551 real_cost = -67.804 Bilab-ENABLE_TS1-scwrl costs 339.040 real_cost = -45.970 Bilab-ENABLE_TS1 costs 339.461 real_cost = -45.606 BayesHH_TS1-scwrl costs 337.994 real_cost = -108.789 BayesHH_TS1 costs 346.105 real_cost = -106.497 ABIpro_TS5-scwrl costs 496.174 real_cost = 198.154 ABIpro_TS5 costs 494.343 real_cost = 198.133 ABIpro_TS4-scwrl costs 504.305 real_cost = 232.922 ABIpro_TS4 costs 504.305 real_cost = 232.922 ABIpro_TS3-scwrl costs 517.825 real_cost = 217.041 ABIpro_TS3 costs 517.700 real_cost = 213.438 ABIpro_TS2-scwrl costs 472.987 real_cost = 187.099 ABIpro_TS2 costs 472.987 real_cost = 187.099 ABIpro_TS1-scwrl costs 505.751 real_cost = 242.317 ABIpro_TS1 costs 505.917 real_cost = 242.312 3Dpro_TS5-scwrl costs 369.365 real_cost = 1.557 3Dpro_TS5 costs 375.363 real_cost = 3.654 3Dpro_TS4-scwrl costs 361.442 real_cost = 14.642 3Dpro_TS4 costs 365.212 real_cost = 15.625 3Dpro_TS3-scwrl costs 354.645 real_cost = -28.873 3Dpro_TS3 costs 359.920 real_cost = -22.544 3Dpro_TS2-scwrl costs 361.421 real_cost = -92.239 3Dpro_TS2 costs 369.581 real_cost = -87.203 3Dpro_TS1-scwrl costs 367.265 real_cost = -98.112 3Dpro_TS1 costs 374.429 real_cost = -97.164 3D-JIGSAW_TS5-scwrl costs 818.113 real_cost = 118.091 3D-JIGSAW_TS5 costs 805.227 real_cost = 121.997 3D-JIGSAW_TS4-scwrl costs 864.173 real_cost = 124.862 3D-JIGSAW_TS4 costs 848.342 real_cost = 135.605 3D-JIGSAW_TS3-scwrl costs 946.058 real_cost = 199.851 3D-JIGSAW_TS3 costs 918.514 real_cost = 208.195 3D-JIGSAW_TS2-scwrl costs 901.018 real_cost = 161.090 3D-JIGSAW_TS2 costs 888.938 real_cost = 176.529 3D-JIGSAW_TS1-scwrl costs 962.660 real_cost = 148.815 3D-JIGSAW_TS1 costs 954.905 real_cost = 157.695 3D-JIGSAW_RECOM_TS5-scwrl costs 953.547 real_cost = 181.479 3D-JIGSAW_RECOM_TS5 costs 945.302 real_cost = 192.412 3D-JIGSAW_RECOM_TS4-scwrl costs 930.246 real_cost = 160.693 3D-JIGSAW_RECOM_TS4 costs 917.316 real_cost = 168.584 3D-JIGSAW_RECOM_TS3-scwrl costs 930.061 real_cost = 160.919 3D-JIGSAW_RECOM_TS3 costs 915.669 real_cost = 167.361 3D-JIGSAW_RECOM_TS2-scwrl costs 939.992 real_cost = 150.094 3D-JIGSAW_RECOM_TS2 costs 928.075 real_cost = 161.796 3D-JIGSAW_RECOM_TS1-scwrl costs 943.221 real_cost = 146.992 3D-JIGSAW_RECOM_TS1 costs 926.551 real_cost = 153.050 3D-JIGSAW_POPULUS_TS5-scwrl costs 757.666 real_cost = 169.418 3D-JIGSAW_POPULUS_TS5 costs 740.422 real_cost = 167.286 3D-JIGSAW_POPULUS_TS4-scwrl costs 738.861 real_cost = 131.110 3D-JIGSAW_POPULUS_TS4 costs 722.961 real_cost = 131.598 3D-JIGSAW_POPULUS_TS3-scwrl costs 785.624 real_cost = 133.260 3D-JIGSAW_POPULUS_TS3 costs 767.627 real_cost = 132.890 3D-JIGSAW_POPULUS_TS2-scwrl costs 735.658 real_cost = 110.231 3D-JIGSAW_POPULUS_TS2 costs 718.966 real_cost = 109.705 3D-JIGSAW_POPULUS_TS1-scwrl costs 748.330 real_cost = 125.782 3D-JIGSAW_POPULUS_TS1 costs 731.286 real_cost = 129.339 T0374.try9-opt2.repack-nonPC.pdb.gz costs 360.256 real_cost = 80.104 T0374.try9-opt2.pdb.gz costs 362.735 real_cost = 75.678 T0374.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 380.012 real_cost = 79.174 T0374.try9-opt2.gromacs0.pdb.gz costs 380.190 real_cost = 79.000 T0374.try9-opt1.pdb.gz costs 379.215 real_cost = 87.332 T0374.try9-opt1-scwrl.pdb.gz costs 377.850 real_cost = 87.344 T0374.try8-opt2.repack-nonPC.pdb.gz costs 327.360 real_cost = 20.472 T0374.try8-opt2.pdb.gz costs 326.955 real_cost = 26.885 T0374.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 346.291 real_cost = 22.462 T0374.try8-opt2.gromacs0.pdb.gz costs 345.640 real_cost = 24.542 T0374.try8-opt1.pdb.gz costs 330.703 real_cost = 23.179 T0374.try8-opt1-scwrl.pdb.gz costs 334.814 real_cost = 21.611 T0374.try7-opt2.repack-nonPC.pdb.gz costs 334.527 real_cost = 7.519 T0374.try7-opt2.pdb.gz costs 336.320 real_cost = 10.354 T0374.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 357.138 real_cost = 10.974 T0374.try7-opt2.gromacs0.pdb.gz costs 355.469 real_cost = 5.869 T0374.try7-opt1.pdb.gz costs 342.763 real_cost = 13.022 T0374.try7-opt1-scwrl.pdb.gz costs 344.158 real_cost = 12.415 T0374.try6-opt2.repack-nonPC.pdb.gz costs 321.902 real_cost = 12.559 T0374.try6-opt2.pdb.gz costs 318.446 real_cost = 12.824 T0374.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 336.852 real_cost = 9.030 T0374.try6-opt2.gromacs0.pdb.gz costs 334.018 real_cost = 12.365 T0374.try6-opt1.pdb.gz costs 322.530 real_cost = 12.650 T0374.try6-opt1-scwrl.pdb.gz costs 328.765 real_cost = 14.705 T0374.try5-opt2.repack-nonPC.pdb.gz costs 311.181 real_cost = -128.700 T0374.try5-opt2.pdb.gz costs 309.378 real_cost = -120.562 T0374.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 332.608 real_cost = -122.047 T0374.try5-opt2.gromacs0.pdb.gz costs 330.973 real_cost = -120.440 T0374.try5-opt1.pdb.gz costs 319.217 real_cost = -119.316 T0374.try5-opt1-scwrl.pdb.gz costs 323.681 real_cost = -120.713 T0374.try4-opt2.repack-nonPC.pdb.gz costs 310.088 real_cost = -113.176 T0374.try4-opt2.pdb.gz costs 307.675 real_cost = -109.887 T0374.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 326.926 real_cost = -113.836 T0374.try4-opt2.gromacs0.pdb.gz costs 323.465 real_cost = -110.636 T0374.try4-opt1.pdb.gz costs 319.900 real_cost = -112.998 T0374.try4-opt1-scwrl.pdb.gz costs 326.954 real_cost = -111.332 T0374.try3-opt2.repack-nonPC.pdb.gz costs 322.366 real_cost = 4.610 T0374.try3-opt2.pdb.gz costs 321.516 real_cost = 5.320 T0374.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 338.969 real_cost = 3.967 T0374.try3-opt2.gromacs0.pdb.gz costs 338.117 real_cost = 5.280 T0374.try3-opt1.pdb.gz costs 330.408 real_cost = 18.887 T0374.try3-opt1-scwrl.pdb.gz costs 337.198 real_cost = 16.555 T0374.try2-opt2.repack-nonPC.pdb.gz costs 306.015 real_cost = -115.183 T0374.try2-opt2.pdb.gz costs 304.388 real_cost = -112.652 T0374.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 317.436 real_cost = -114.187 T0374.try2-opt2.gromacs0.pdb.gz costs 316.244 real_cost = -114.151 T0374.try2-opt1.pdb.gz costs 316.499 real_cost = -116.373 T0374.try2-opt1-scwrl.pdb.gz costs 320.807 real_cost = -113.139 T0374.try15-opt2.repack-nonPC.pdb.gz costs 306.393 real_cost = -104.465 T0374.try15-opt2.pdb.gz costs 302.831 real_cost = -98.772 T0374.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 322.037 real_cost = -101.472 T0374.try15-opt2.gromacs0.pdb.gz costs 319.380 real_cost = -96.524 T0374.try15-opt1.pdb.gz costs 308.065 real_cost = -98.786 T0374.try15-opt1-scwrl.pdb.gz costs 327.132 real_cost = -101.320 T0374.try14-opt2.repack-nonPC.pdb.gz costs 302.160 real_cost = -113.758 T0374.try14-opt2.pdb.gz costs 298.660 real_cost = -112.377 T0374.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 314.527 real_cost = -113.475 T0374.try14-opt2.gromacs0.pdb.gz costs 312.586 real_cost = -113.788 T0374.try14-opt1.pdb.gz costs 302.671 real_cost = -111.525 T0374.try14-opt1-scwrl.pdb.gz costs 310.260 real_cost = -112.408 T0374.try13-opt2.repack-nonPC.pdb.gz costs 308.364 real_cost = -112.923 T0374.try13-opt2.pdb.gz costs 305.424 real_cost = -110.587 T0374.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 316.339 real_cost = -111.634 T0374.try13-opt2.gromacs0.pdb.gz costs 314.667 real_cost = -110.562 T0374.try13-opt1.pdb.gz costs 309.224 real_cost = -114.696 T0374.try13-opt1-scwrl.pdb.gz costs 317.872 real_cost = -113.525 T0374.try12-opt2.repack-nonPC.pdb.gz costs 315.400 real_cost = -91.892 T0374.try12-opt2.pdb.gz costs 312.146 real_cost = -95.003 T0374.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 328.740 real_cost = -96.110 T0374.try12-opt2.gromacs0.pdb.gz costs 328.148 real_cost = -94.002 T0374.try12-opt1.pdb.gz costs 315.589 real_cost = -94.782 T0374.try12-opt1-scwrl.pdb.gz costs 323.834 real_cost = -94.607 T0374.try11-opt2.repack-nonPC.pdb.gz costs 313.964 real_cost = -104.815 T0374.try11-opt2.pdb.gz costs 311.739 real_cost = -103.780 T0374.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 336.346 real_cost = -92.496 T0374.try11-opt2.gromacs0.pdb.gz costs 333.939 real_cost = -98.238 T0374.try11-opt1.pdb.gz costs 322.676 real_cost = -104.314 T0374.try11-opt1-scwrl.pdb.gz costs 327.183 real_cost = -104.812 T0374.try10-opt2.repack-nonPC.pdb.gz costs 341.317 real_cost = 48.146 T0374.try10-opt2.pdb.gz costs 339.469 real_cost = 57.207 T0374.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 349.424 real_cost = 46.200 T0374.try10-opt2.gromacs0.pdb.gz costs 348.231 real_cost = 57.604 T0374.try10-opt1.pdb.gz costs 351.514 real_cost = 55.404 T0374.try10-opt1-scwrl.pdb.gz costs 357.172 real_cost = 55.755 T0374.try1-opt2.repack-nonPC.pdb.gz costs 305.445 real_cost = -124.875 T0374.try1-opt2.pdb.gz costs 303.110 real_cost = -121.463 T0374.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 318.793 real_cost = -128.105 T0374.try1-opt2.gromacs0.pdb.gz costs 316.556 real_cost = -126.167 T0374.try1-opt1.pdb.gz costs 311.215 real_cost = -123.237 T0374.try1-opt1-scwrl.pdb.gz costs 320.272 real_cost = -121.205 ../model5.ts-submitted costs 338.956 real_cost = 3.945 ../model4.ts-submitted costs 318.433 real_cost = 13.541 ../model3.ts-submitted costs 316.398 real_cost = -111.591 ../model2.ts-submitted costs 302.927 real_cost = -98.795 ../model1.ts-submitted costs 298.612 real_cost = -112.416 align5 costs 1252.009 real_cost = -0.310 align4 costs 902.679 real_cost = 74.470 align3 costs 482.421 real_cost = -31.572 align2 costs 1195.815 real_cost = -52.134 align1 costs 1317.059 real_cost = -12.699 T0374.try1-opt2.pdb costs 303.110 real_cost = -121.456 model5-scwrl costs 343.523 real_cost = 0.669 model5.ts-submitted costs 338.956 real_cost = 3.945 model4-scwrl costs 323.669 real_cost = 13.021 model4.ts-submitted costs 318.433 real_cost = 13.541 model3-scwrl costs 321.851 real_cost = -112.729 model3.ts-submitted costs 316.398 real_cost = -111.591 model2-scwrl costs 314.177 real_cost = -103.639 model2.ts-submitted costs 302.927 real_cost = -98.795 model1-scwrl costs 304.124 real_cost = -111.694 model1.ts-submitted costs 298.612 real_cost = -112.416 2i6cA costs 306.100 real_cost = -895.000 # command:CPU_time= 684.783 sec, elapsed time= 2098.816 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/T0374'