make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0364' 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/T0364.} ;\ 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/T0364/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hljA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174637392 # 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= 6.10907 sec, elapsed time= 12.4517 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= 6.18506 sec, elapsed time= 12.5663 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0364 numbered 1 through 156 Created new target T0364 from T0364.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file predburial.costfcn # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-near-backbone-2spot.hist # created burial cost function nb11 with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 5 alphabets from two-spot-burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_nb11_2k # created predicted BurialPredCostFcn pred_nb11_2k_simple # created predicted BurialPredCostFcn pred_nb11_04 # created predicted BurialPredCostFcn pred_nb11_04_simple # created predicted BurialPredCostFcn pred_nb11_06 # created predicted BurialPredCostFcn pred_nb11_06_simple # reading predictions from T0364.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 T0364.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 T0364.t06.alpha.rdb # created predicted alpha cost function pred_alpha06 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-monomeric-50pc-CB14.hist # created burial cost function cb14 with radius 14 with spots at CB counting only CB # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 28 alphabets from burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_cb14_2k # created predicted BurialPredCostFcn pred_cb14_2k_simple # created predicted BurialPredCostFcn pred_cb14_04 # created predicted BurialPredCostFcn pred_cb14_04_simple # created predicted BurialPredCostFcn pred_cb14_06 # created predicted BurialPredCostFcn pred_cb14_06_simple Unrecognized cost function c_beta for SetCost Unrecognized cost function 5 for SetCost # SetCost created cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 5 * nb11(9.65) + 5 * pred_nb11_2k_simple(9.65) + 5 * pred_nb11_2k(9.65) + 5 * pred_nb11_04_simple(9.65) + 5 * pred_nb11_04(9.65) + 5 * pred_nb11_06_simple(9.65) + 5 * pred_nb11_06(9.65) + 5 * cb14(14) + 5 * pred_cb14_2k_simple(14) + 5 * pred_cb14_2k(14) + 5 * pred_cb14_04_simple(14) + 5 * pred_cb14_04(14) + 5 * pred_cb14_06_simple(14) + 5 * pred_cb14_06(14) + 2 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms ) # command:CPU_time= 8.96364 sec, elapsed time= 18.704 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 118 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -69.7712 # GDT_score(maxd=8,maxw=2.9)= -71.6818 # GDT_score(maxd=8,maxw=3.2)= -69.1442 # GDT_score(maxd=8,maxw=3.5)= -66.513 # GDT_score(maxd=10,maxw=3.8)= -68.526 # GDT_score(maxd=10,maxw=4)= -66.7254 # GDT_score(maxd=10,maxw=4.2)= -64.8396 # GDT_score(maxd=12,maxw=4.3)= -67.9429 # GDT_score(maxd=12,maxw=4.5)= -66.0901 # GDT_score(maxd=12,maxw=4.7)= -64.1721 # GDT_score(maxd=14,maxw=5.2)= -63.0399 # GDT_score(maxd=14,maxw=5.5)= -60.2404 # 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 41.138 14.444 16.451 1.00 0.00 ATOM 2 CA MET A 1 40.521 15.510 15.600 1.00 0.00 ATOM 3 CB MET A 1 41.276 15.621 14.287 1.00 0.00 ATOM 4 CG MET A 1 40.717 16.696 13.376 1.00 0.00 ATOM 5 SD MET A 1 41.885 17.171 12.098 1.00 0.00 ATOM 6 CE MET A 1 43.079 18.072 13.094 1.00 0.00 ATOM 7 O MET A 1 38.879 14.074 14.609 1.00 0.00 ATOM 8 C MET A 1 39.091 15.102 15.253 1.00 0.00 ATOM 9 N PRO A 2 38.111 15.905 15.652 1.00 0.00 ATOM 10 CA PRO A 2 36.709 15.559 15.398 1.00 0.00 ATOM 11 CB PRO A 2 35.931 16.627 16.143 1.00 0.00 ATOM 12 CG PRO A 2 36.835 16.912 17.319 1.00 0.00 ATOM 13 CD PRO A 2 38.217 16.912 16.698 1.00 0.00 ATOM 14 O PRO A 2 35.769 14.424 13.515 1.00 0.00 ATOM 15 C PRO A 2 36.454 15.356 13.948 1.00 0.00 ATOM 16 N ALA A 3 37.116 16.092 13.023 1.00 0.00 ATOM 17 CA ALA A 3 36.833 15.963 11.606 1.00 0.00 ATOM 18 CB ALA A 3 37.507 17.033 10.743 1.00 0.00 ATOM 19 O ALA A 3 38.542 14.369 11.039 1.00 0.00 ATOM 20 C ALA A 3 37.356 14.668 10.965 1.00 0.00 ATOM 21 N LEU A 4 36.468 13.889 10.333 1.00 0.00 ATOM 22 CA LEU A 4 36.869 12.635 9.700 1.00 0.00 ATOM 23 CB LEU A 4 35.889 11.517 10.068 1.00 0.00 ATOM 24 CG LEU A 4 36.154 10.148 9.437 1.00 0.00 ATOM 25 CD1 LEU A 4 37.474 9.576 9.930 1.00 0.00 ATOM 26 CD2 LEU A 4 35.047 9.168 9.796 1.00 0.00 ATOM 27 O LEU A 4 35.997 13.229 7.569 1.00 0.00 ATOM 28 C LEU A 4 36.967 12.788 8.183 1.00 0.00 ATOM 29 N ILE A 5 38.089 12.504 7.599 1.00 0.00 ATOM 30 CA ILE A 5 38.252 12.632 6.151 1.00 0.00 ATOM 31 CB ILE A 5 39.665 13.132 5.847 1.00 0.00 ATOM 32 CG1 ILE A 5 39.849 14.498 6.510 1.00 0.00 ATOM 33 CG2 ILE A 5 39.847 13.251 4.348 1.00 0.00 ATOM 34 CD1 ILE A 5 38.726 15.486 6.219 1.00 0.00 ATOM 35 O ILE A 5 38.739 10.282 6.081 1.00 0.00 ATOM 36 C ILE A 5 38.143 11.225 5.563 1.00 0.00 ATOM 37 N THR A 6 37.388 11.089 4.478 1.00 0.00 ATOM 38 CA THR A 6 37.204 9.788 3.839 1.00 0.00 ATOM 39 CB THR A 6 35.781 9.218 4.129 1.00 0.00 ATOM 40 CG2 THR A 6 35.442 9.188 5.599 1.00 0.00 ATOM 41 OG1 THR A 6 34.812 10.078 3.530 1.00 0.00 ATOM 42 O THR A 6 37.146 10.565 1.586 1.00 0.00 ATOM 43 C THR A 6 37.627 9.751 2.386 1.00 0.00 ATOM 44 N TYR A 7 38.459 8.771 2.036 1.00 0.00 ATOM 45 CA TYR A 7 38.946 8.620 0.673 1.00 0.00 ATOM 46 CB TYR A 7 40.410 9.169 0.612 1.00 0.00 ATOM 47 CG TYR A 7 41.054 9.130 -0.753 1.00 0.00 ATOM 48 CD1 TYR A 7 40.728 10.072 -1.719 1.00 0.00 ATOM 49 CD2 TYR A 7 41.997 8.159 -1.057 1.00 0.00 ATOM 50 CE1 TYR A 7 41.340 10.045 -2.973 1.00 0.00 ATOM 51 CE2 TYR A 7 42.614 8.121 -2.291 1.00 0.00 ATOM 52 CZ TYR A 7 42.274 9.064 -3.249 1.00 0.00 ATOM 53 OH TYR A 7 42.886 9.027 -4.484 1.00 0.00 ATOM 54 O TYR A 7 39.040 6.227 0.774 1.00 0.00 ATOM 55 C TYR A 7 38.715 7.217 0.124 1.00 0.00 ATOM 56 N ARG A 8 38.127 7.111 -1.077 1.00 0.00 ATOM 57 CA ARG A 8 37.869 5.797 -1.679 1.00 0.00 ATOM 58 CB ARG A 8 36.838 5.889 -2.828 1.00 0.00 ATOM 59 CG ARG A 8 35.523 6.587 -2.521 1.00 0.00 ATOM 60 CD ARG A 8 35.445 8.013 -3.040 1.00 0.00 ATOM 61 NE ARG A 8 35.434 8.115 -4.512 1.00 0.00 ATOM 62 CZ ARG A 8 34.333 8.257 -5.251 1.00 0.00 ATOM 63 NH1 ARG A 8 33.133 8.254 -4.676 1.00 0.00 ATOM 64 NH2 ARG A 8 34.434 8.393 -6.579 1.00 0.00 ATOM 65 O ARG A 8 39.659 6.021 -3.252 1.00 0.00 ATOM 66 C ARG A 8 39.027 5.271 -2.496 1.00 0.00 ATOM 67 N THR A 9 39.303 3.944 -2.406 1.00 0.00 ATOM 68 CA THR A 9 40.405 3.337 -3.117 1.00 0.00 ATOM 69 CB THR A 9 41.605 3.100 -2.184 1.00 0.00 ATOM 70 CG2 THR A 9 42.762 2.477 -2.948 1.00 0.00 ATOM 71 OG1 THR A 9 42.034 4.347 -1.628 1.00 0.00 ATOM 72 O THR A 9 39.517 1.117 -2.926 1.00 0.00 ATOM 73 C THR A 9 39.969 1.984 -3.671 1.00 0.00 ATOM 74 N THR A 10 40.092 1.822 -4.987 1.00 0.00 ATOM 75 CA THR A 10 39.747 0.568 -5.640 1.00 0.00 ATOM 76 CB THR A 10 39.229 0.804 -7.061 1.00 0.00 ATOM 77 CG2 THR A 10 38.716 -0.489 -7.641 1.00 0.00 ATOM 78 OG1 THR A 10 38.165 1.774 -7.023 1.00 0.00 ATOM 79 O THR A 10 42.029 0.131 -6.248 1.00 0.00 ATOM 80 C THR A 10 40.984 -0.319 -5.763 1.00 0.00 ATOM 81 N VAL A 11 40.856 -1.576 -5.344 1.00 0.00 ATOM 82 CA VAL A 11 41.966 -2.529 -5.404 1.00 0.00 ATOM 83 CB VAL A 11 41.726 -3.696 -4.429 1.00 0.00 ATOM 84 CG1 VAL A 11 42.880 -4.686 -4.488 1.00 0.00 ATOM 85 CG2 VAL A 11 41.603 -3.183 -3.003 1.00 0.00 ATOM 86 O VAL A 11 41.342 -3.818 -7.318 1.00 0.00 ATOM 87 C VAL A 11 42.192 -3.126 -6.797 1.00 0.00 ATOM 88 N GLN A 12 43.367 -2.962 -7.330 1.00 0.00 ATOM 89 CA GLN A 12 43.757 -3.491 -8.637 1.00 0.00 ATOM 90 CB GLN A 12 44.359 -2.378 -9.499 1.00 0.00 ATOM 91 CG GLN A 12 43.429 -1.198 -9.728 1.00 0.00 ATOM 92 CD GLN A 12 42.185 -1.581 -10.507 1.00 0.00 ATOM 93 OE1 GLN A 12 42.265 -2.271 -11.523 1.00 0.00 ATOM 94 NE2 GLN A 12 41.029 -1.131 -10.033 1.00 0.00 ATOM 95 O GLN A 12 45.328 -4.986 -7.634 1.00 0.00 ATOM 96 C GLN A 12 44.758 -4.633 -8.668 1.00 0.00 ATOM 97 N GLU A 13 45.008 -5.161 -9.894 1.00 0.00 ATOM 98 CA GLU A 13 45.954 -6.262 -10.062 1.00 0.00 ATOM 99 CB GLU A 13 46.063 -6.689 -11.536 1.00 0.00 ATOM 100 CG GLU A 13 44.935 -7.559 -12.119 1.00 0.00 ATOM 101 CD GLU A 13 44.763 -7.410 -13.654 1.00 0.00 ATOM 102 OE1 GLU A 13 45.571 -6.716 -14.315 1.00 0.00 ATOM 103 OE2 GLU A 13 43.775 -7.933 -14.199 1.00 0.00 ATOM 104 O GLU A 13 48.006 -6.596 -8.840 1.00 0.00 ATOM 105 C GLU A 13 47.321 -5.829 -9.528 1.00 0.00 ATOM 106 N ASP A 14 47.711 -4.597 -9.826 1.00 0.00 ATOM 107 CA ASP A 14 49.004 -4.070 -9.376 1.00 0.00 ATOM 108 CB ASP A 14 49.199 -2.636 -9.878 1.00 0.00 ATOM 109 CG ASP A 14 49.494 -2.574 -11.364 1.00 0.00 ATOM 110 OD1 ASP A 14 49.774 -3.636 -11.960 1.00 0.00 ATOM 111 OD2 ASP A 14 49.451 -1.465 -11.934 1.00 0.00 ATOM 112 O ASP A 14 50.231 -4.181 -7.313 1.00 0.00 ATOM 113 C ASP A 14 49.126 -4.069 -7.850 1.00 0.00 ATOM 114 N TRP A 15 47.993 -3.947 -7.156 1.00 0.00 ATOM 115 CA TRP A 15 47.963 -3.894 -5.693 1.00 0.00 ATOM 116 CB TRP A 15 47.016 -2.550 -5.450 1.00 0.00 ATOM 117 CG TRP A 15 47.550 -1.219 -5.931 1.00 0.00 ATOM 118 CD1 TRP A 15 48.538 -1.005 -6.856 1.00 0.00 ATOM 119 CD2 TRP A 15 47.063 0.074 -5.555 1.00 0.00 ATOM 120 CE2 TRP A 15 47.793 1.030 -6.296 1.00 0.00 ATOM 121 CE3 TRP A 15 46.071 0.517 -4.665 1.00 0.00 ATOM 122 NE1 TRP A 15 48.681 0.347 -7.087 1.00 0.00 ATOM 123 CZ2 TRP A 15 47.566 2.411 -6.175 1.00 0.00 ATOM 124 CZ3 TRP A 15 45.842 1.895 -4.545 1.00 0.00 ATOM 125 CH2 TRP A 15 46.592 2.821 -5.299 1.00 0.00 ATOM 126 O TRP A 15 48.019 -5.328 -3.790 1.00 0.00 ATOM 127 C TRP A 15 47.865 -5.247 -5.006 1.00 0.00 ATOM 128 N VAL A 16 47.635 -6.310 -5.766 1.00 0.00 ATOM 129 CA VAL A 16 47.518 -7.651 -5.190 1.00 0.00 ATOM 130 CB VAL A 16 46.388 -8.446 -5.869 1.00 0.00 ATOM 131 CG1 VAL A 16 45.050 -7.758 -5.656 1.00 0.00 ATOM 132 CG2 VAL A 16 46.640 -8.556 -7.365 1.00 0.00 ATOM 133 O VAL A 16 49.680 -8.094 -6.129 1.00 0.00 ATOM 134 C VAL A 16 48.791 -8.472 -5.365 1.00 0.00 ATOM 135 N ASP A 17 48.874 -9.594 -4.648 1.00 0.00 ATOM 136 CA ASP A 17 50.015 -10.499 -4.769 1.00 0.00 ATOM 137 CB ASP A 17 50.867 -10.454 -3.499 1.00 0.00 ATOM 138 CG ASP A 17 50.109 -10.930 -2.275 1.00 0.00 ATOM 139 OD1 ASP A 17 48.984 -11.448 -2.434 1.00 0.00 ATOM 140 OD2 ASP A 17 50.640 -10.779 -1.153 1.00 0.00 ATOM 141 O ASP A 17 48.329 -12.170 -5.142 1.00 0.00 ATOM 142 C ASP A 17 49.531 -11.923 -5.040 1.00 0.00 ATOM 143 N TYR A 18 50.475 -12.854 -5.147 1.00 0.00 ATOM 144 CA TYR A 18 50.164 -14.246 -5.445 1.00 0.00 ATOM 145 CB TYR A 18 51.696 -15.034 -5.141 1.00 0.00 ATOM 146 CG TYR A 18 51.942 -16.397 -5.753 1.00 0.00 ATOM 147 CD1 TYR A 18 52.614 -16.512 -6.976 1.00 0.00 ATOM 148 CD2 TYR A 18 51.438 -17.557 -5.152 1.00 0.00 ATOM 149 CE1 TYR A 18 52.774 -17.751 -7.590 1.00 0.00 ATOM 150 CE2 TYR A 18 51.596 -18.834 -5.772 1.00 0.00 ATOM 151 CZ TYR A 18 52.270 -18.890 -6.991 1.00 0.00 ATOM 152 OH TYR A 18 52.447 -20.103 -7.635 1.00 0.00 ATOM 153 O TYR A 18 48.599 -15.892 -4.685 1.00 0.00 ATOM 154 C TYR A 18 49.259 -14.891 -4.397 1.00 0.00 ATOM 155 N ASN A 19 49.238 -14.327 -3.192 1.00 0.00 ATOM 156 CA ASN A 19 48.398 -14.865 -2.138 1.00 0.00 ATOM 157 CB ASN A 19 48.890 -14.348 -0.746 1.00 0.00 ATOM 158 CG ASN A 19 50.241 -14.828 -0.279 1.00 0.00 ATOM 159 ND2 ASN A 19 50.866 -14.075 0.643 1.00 0.00 ATOM 160 OD1 ASN A 19 50.751 -15.852 -0.740 1.00 0.00 ATOM 161 O ASN A 19 46.063 -15.076 -1.627 1.00 0.00 ATOM 162 C ASN A 19 46.922 -14.609 -2.379 1.00 0.00 ATOM 163 N GLY A 20 46.629 -13.815 -3.405 1.00 0.00 ATOM 164 CA GLY A 20 45.250 -13.505 -3.742 1.00 0.00 ATOM 165 O GLY A 20 43.479 -12.057 -3.083 1.00 0.00 ATOM 166 C GLY A 20 44.669 -12.338 -2.973 1.00 0.00 ATOM 167 N HIS A 21 45.517 -11.649 -2.211 1.00 0.00 ATOM 168 CA HIS A 21 45.153 -10.515 -1.362 1.00 0.00 ATOM 169 CB HIS A 21 45.107 -10.838 0.133 1.00 0.00 ATOM 170 CG HIS A 21 44.184 -11.965 0.481 1.00 0.00 ATOM 171 CD2 HIS A 21 44.343 -13.376 0.797 1.00 0.00 ATOM 172 ND1 HIS A 21 42.819 -11.808 0.569 1.00 0.00 ATOM 173 CE1 HIS A 21 42.264 -12.989 0.897 1.00 0.00 ATOM 174 NE2 HIS A 21 43.173 -13.934 1.033 1.00 0.00 ATOM 175 O HIS A 21 47.103 -9.408 -2.218 1.00 0.00 ATOM 176 C HIS A 21 46.068 -9.302 -1.562 1.00 0.00 ATOM 177 N LEU A 22 45.683 -8.156 -1.012 1.00 0.00 ATOM 178 CA LEU A 22 46.502 -6.944 -1.151 1.00 0.00 ATOM 179 CB LEU A 22 45.732 -5.721 -0.611 1.00 0.00 ATOM 180 CG LEU A 22 44.513 -5.245 -1.403 1.00 0.00 ATOM 181 CD1 LEU A 22 43.866 -4.060 -0.701 1.00 0.00 ATOM 182 CD2 LEU A 22 44.947 -4.850 -2.804 1.00 0.00 ATOM 183 O LEU A 22 47.859 -7.390 0.772 1.00 0.00 ATOM 184 C LEU A 22 47.824 -7.047 -0.412 1.00 0.00 ATOM 185 N ARG A 23 48.943 -6.731 -1.127 1.00 0.00 ATOM 186 CA ARG A 23 50.271 -6.802 -0.499 1.00 0.00 ATOM 187 CB ARG A 23 51.445 -6.959 -0.998 1.00 0.00 ATOM 188 CG ARG A 23 51.781 -8.454 -0.965 1.00 0.00 ATOM 189 CD ARG A 23 53.267 -8.721 -1.187 1.00 0.00 ATOM 190 NE ARG A 23 53.805 -8.056 -2.360 1.00 0.00 ATOM 191 CZ ARG A 23 53.956 -8.447 -3.617 1.00 0.00 ATOM 192 NH1 ARG A 23 53.595 -9.669 -3.990 1.00 0.00 ATOM 193 NH2 ARG A 23 54.469 -7.599 -4.533 1.00 0.00 ATOM 194 O ARG A 23 49.808 -4.734 0.598 1.00 0.00 ATOM 195 C ARG A 23 50.330 -5.840 0.688 1.00 0.00 ATOM 196 N ASP A 24 50.951 -6.241 1.798 1.00 0.00 ATOM 197 CA ASP A 24 50.954 -5.363 2.967 1.00 0.00 ATOM 198 CB ASP A 24 51.696 -6.093 4.131 1.00 0.00 ATOM 199 CG ASP A 24 50.925 -7.233 4.746 1.00 0.00 ATOM 200 OD1 ASP A 24 49.662 -7.232 4.723 1.00 0.00 ATOM 201 OD2 ASP A 24 51.550 -8.146 5.341 1.00 0.00 ATOM 202 O ASP A 24 51.126 -3.002 3.231 1.00 0.00 ATOM 203 C ASP A 24 51.577 -4.000 2.707 1.00 0.00 ATOM 204 N ALA A 25 52.605 -3.894 1.899 1.00 0.00 ATOM 205 CA ALA A 25 53.190 -2.596 1.597 1.00 0.00 ATOM 206 CB ALA A 25 54.650 -2.905 1.005 1.00 0.00 ATOM 207 O ALA A 25 52.378 -0.466 0.848 1.00 0.00 ATOM 208 C ALA A 25 52.260 -1.691 0.792 1.00 0.00 ATOM 209 N PHE A 26 51.342 -2.288 0.036 1.00 0.00 ATOM 210 CA PHE A 26 50.409 -1.498 -0.760 1.00 0.00 ATOM 211 CB PHE A 26 49.592 -2.386 -1.714 1.00 0.00 ATOM 212 CG PHE A 26 50.572 -2.939 -2.715 1.00 0.00 ATOM 213 CD1 PHE A 26 51.159 -2.088 -3.620 1.00 0.00 ATOM 214 CD2 PHE A 26 50.914 -4.262 -2.658 1.00 0.00 ATOM 215 CE1 PHE A 26 52.094 -2.569 -4.492 1.00 0.00 ATOM 216 CE2 PHE A 26 51.860 -4.742 -3.532 1.00 0.00 ATOM 217 CZ PHE A 26 52.448 -3.896 -4.445 1.00 0.00 ATOM 218 O PHE A 26 49.173 0.491 -0.233 1.00 0.00 ATOM 219 C PHE A 26 49.516 -0.637 0.130 1.00 0.00 ATOM 220 N TYR A 27 49.112 -1.194 1.264 1.00 0.00 ATOM 221 CA TYR A 27 48.269 -0.446 2.191 1.00 0.00 ATOM 222 CB TYR A 27 47.903 -1.215 3.458 1.00 0.00 ATOM 223 CG TYR A 27 47.043 -2.411 3.164 1.00 0.00 ATOM 224 CD1 TYR A 27 45.960 -2.434 2.323 1.00 0.00 ATOM 225 CD2 TYR A 27 47.399 -3.632 3.742 1.00 0.00 ATOM 226 CE1 TYR A 27 45.172 -3.563 2.073 1.00 0.00 ATOM 227 CE2 TYR A 27 46.650 -4.776 3.527 1.00 0.00 ATOM 228 CZ TYR A 27 45.599 -4.754 2.672 1.00 0.00 ATOM 229 OH TYR A 27 44.859 -5.914 2.393 1.00 0.00 ATOM 230 O TYR A 27 48.427 1.847 2.870 1.00 0.00 ATOM 231 C TYR A 27 49.022 0.794 2.654 1.00 0.00 ATOM 232 N LEU A 28 50.329 0.647 2.864 1.00 0.00 ATOM 233 CA LEU A 28 51.146 1.779 3.296 1.00 0.00 ATOM 234 CB LEU A 28 52.590 1.284 3.564 1.00 0.00 ATOM 235 CG LEU A 28 53.482 2.502 3.968 1.00 0.00 ATOM 236 CD1 LEU A 28 52.915 3.248 5.148 1.00 0.00 ATOM 237 CD2 LEU A 28 54.883 1.988 4.277 1.00 0.00 ATOM 238 O LEU A 28 50.905 4.076 2.623 1.00 0.00 ATOM 239 C LEU A 28 51.024 2.903 2.269 1.00 0.00 ATOM 240 N LEU A 29 51.060 2.549 0.987 1.00 0.00 ATOM 241 CA LEU A 29 50.926 3.548 -0.058 1.00 0.00 ATOM 242 CB LEU A 29 50.988 2.973 -1.415 1.00 0.00 ATOM 243 CG LEU A 29 52.403 2.700 -1.879 1.00 0.00 ATOM 244 CD1 LEU A 29 52.387 1.858 -3.141 1.00 0.00 ATOM 245 CD2 LEU A 29 53.107 4.028 -2.133 1.00 0.00 ATOM 246 O LEU A 29 49.368 5.409 -0.151 1.00 0.00 ATOM 247 C LEU A 29 49.518 4.181 -0.009 1.00 0.00 ATOM 248 N ILE A 30 48.500 3.361 0.193 1.00 0.00 ATOM 249 CA ILE A 30 47.135 3.861 0.337 1.00 0.00 ATOM 250 CB ILE A 30 46.118 2.739 0.622 1.00 0.00 ATOM 251 CG1 ILE A 30 46.033 1.785 -0.572 1.00 0.00 ATOM 252 CG2 ILE A 30 44.736 3.323 0.874 1.00 0.00 ATOM 253 CD1 ILE A 30 45.265 0.512 -0.279 1.00 0.00 ATOM 254 O ILE A 30 46.408 5.947 1.278 1.00 0.00 ATOM 255 C ILE A 30 47.045 4.905 1.445 1.00 0.00 ATOM 256 N PHE A 31 47.671 4.620 2.588 1.00 0.00 ATOM 257 CA PHE A 31 47.656 5.560 3.705 1.00 0.00 ATOM 258 CB PHE A 31 48.436 4.990 4.893 1.00 0.00 ATOM 259 CG PHE A 31 47.776 3.808 5.543 1.00 0.00 ATOM 260 CD1 PHE A 31 46.447 3.514 5.289 1.00 0.00 ATOM 261 CD2 PHE A 31 48.483 2.991 6.408 1.00 0.00 ATOM 262 CE1 PHE A 31 45.840 2.426 5.884 1.00 0.00 ATOM 263 CE2 PHE A 31 47.875 1.904 7.004 1.00 0.00 ATOM 264 CZ PHE A 31 46.559 1.619 6.746 1.00 0.00 ATOM 265 O PHE A 31 47.782 7.944 3.630 1.00 0.00 ATOM 266 C PHE A 31 48.283 6.894 3.284 1.00 0.00 ATOM 267 N SER A 32 49.354 6.828 2.548 1.00 0.00 ATOM 268 CA SER A 32 50.025 8.042 2.080 1.00 0.00 ATOM 269 CB SER A 32 51.307 7.701 1.316 1.00 0.00 ATOM 270 OG SER A 32 52.263 7.095 2.173 1.00 0.00 ATOM 271 O SER A 32 49.050 10.058 1.212 1.00 0.00 ATOM 272 C SER A 32 49.106 8.833 1.144 1.00 0.00 ATOM 273 N TYR A 33 48.423 8.140 0.239 1.00 0.00 ATOM 274 CA TYR A 33 47.510 8.819 -0.675 1.00 0.00 ATOM 275 CB TYR A 33 46.846 7.863 -1.648 1.00 0.00 ATOM 276 CG TYR A 33 47.687 7.385 -2.823 1.00 0.00 ATOM 277 CD1 TYR A 33 47.978 6.023 -2.940 1.00 0.00 ATOM 278 CD2 TYR A 33 48.147 8.245 -3.826 1.00 0.00 ATOM 279 CE1 TYR A 33 48.689 5.521 -4.036 1.00 0.00 ATOM 280 CE2 TYR A 33 48.851 7.772 -4.937 1.00 0.00 ATOM 281 CZ TYR A 33 49.126 6.399 -5.031 1.00 0.00 ATOM 282 OH TYR A 33 49.800 5.891 -6.116 1.00 0.00 ATOM 283 O TYR A 33 46.060 10.687 -0.257 1.00 0.00 ATOM 284 C TYR A 33 46.440 9.574 0.104 1.00 0.00 ATOM 285 N ALA A 34 45.947 8.948 1.169 1.00 0.00 ATOM 286 CA ALA A 34 44.896 9.543 1.994 1.00 0.00 ATOM 287 CB ALA A 34 44.432 8.569 3.093 1.00 0.00 ATOM 288 O ALA A 34 44.650 11.803 2.719 1.00 0.00 ATOM 289 C ALA A 34 45.373 10.812 2.685 1.00 0.00 ATOM 290 N THR A 35 46.575 10.783 3.257 1.00 0.00 ATOM 291 CA THR A 35 47.105 11.970 3.919 1.00 0.00 ATOM 292 CB THR A 35 48.498 11.713 4.479 1.00 0.00 ATOM 293 CG2 THR A 35 48.985 12.913 5.278 1.00 0.00 ATOM 294 OG1 THR A 35 48.452 10.558 5.323 1.00 0.00 ATOM 295 O THR A 35 46.958 14.265 3.161 1.00 0.00 ATOM 296 C THR A 35 47.245 13.104 2.897 1.00 0.00 ATOM 297 N ASP A 36 47.660 12.718 1.688 1.00 0.00 ATOM 298 CA ASP A 36 47.836 13.667 0.591 1.00 0.00 ATOM 299 CB ASP A 36 48.436 12.989 -0.640 1.00 0.00 ATOM 300 CG ASP A 36 49.900 12.635 -0.457 1.00 0.00 ATOM 301 OD1 ASP A 36 50.510 13.122 0.518 1.00 0.00 ATOM 302 OD2 ASP A 36 50.434 11.871 -1.288 1.00 0.00 ATOM 303 O ASP A 36 46.401 15.519 -0.036 1.00 0.00 ATOM 304 C ASP A 36 46.476 14.321 0.177 1.00 0.00 ATOM 305 N ALA A 37 45.477 13.494 0.090 1.00 0.00 ATOM 306 CA ALA A 37 44.138 13.995 -0.270 1.00 0.00 ATOM 307 CB ALA A 37 43.237 12.878 -0.559 1.00 0.00 ATOM 308 O ALA A 37 42.938 15.901 0.541 1.00 0.00 ATOM 309 C ALA A 37 43.601 14.906 0.831 1.00 0.00 ATOM 310 N LEU A 38 43.855 14.552 2.089 1.00 0.00 ATOM 311 CA LEU A 38 43.403 15.394 3.196 1.00 0.00 ATOM 312 CB LEU A 38 43.794 14.795 4.530 1.00 0.00 ATOM 313 CG LEU A 38 43.384 15.555 5.799 1.00 0.00 ATOM 314 CD1 LEU A 38 43.356 14.591 6.978 1.00 0.00 ATOM 315 CD2 LEU A 38 44.353 16.699 6.056 1.00 0.00 ATOM 316 O LEU A 38 43.310 17.801 3.125 1.00 0.00 ATOM 317 C LEU A 38 44.001 16.790 3.007 1.00 0.00 ATOM 318 N MET A 39 45.292 16.833 2.687 1.00 0.00 ATOM 319 CA MET A 39 45.967 18.105 2.459 1.00 0.00 ATOM 320 CB MET A 39 47.441 17.905 2.218 1.00 0.00 ATOM 321 CG MET A 39 48.185 17.382 3.435 1.00 0.00 ATOM 322 SD MET A 39 47.898 18.385 4.945 1.00 0.00 ATOM 323 CE MET A 39 48.319 17.248 6.193 1.00 0.00 ATOM 324 O MET A 39 45.186 20.072 1.330 1.00 0.00 ATOM 325 C MET A 39 45.369 18.861 1.266 1.00 0.00 ATOM 326 N ASP A 40 45.110 18.145 0.182 1.00 0.00 ATOM 327 CA ASP A 40 44.489 18.745 -1.003 1.00 0.00 ATOM 328 CB ASP A 40 44.412 17.673 -2.144 1.00 0.00 ATOM 329 CG ASP A 40 45.769 17.243 -2.669 1.00 0.00 ATOM 330 OD1 ASP A 40 46.666 18.101 -2.799 1.00 0.00 ATOM 331 OD2 ASP A 40 45.930 16.044 -2.969 1.00 0.00 ATOM 332 O ASP A 40 42.717 20.350 -1.242 1.00 0.00 ATOM 333 C ASP A 40 43.112 19.326 -0.687 1.00 0.00 ATOM 334 N ARG A 41 42.401 18.677 0.228 1.00 0.00 ATOM 335 CA ARG A 41 41.069 19.116 0.627 1.00 0.00 ATOM 336 CB ARG A 41 40.358 18.080 1.525 1.00 0.00 ATOM 337 CG ARG A 41 39.708 16.913 0.750 1.00 0.00 ATOM 338 CD ARG A 41 38.984 15.860 1.638 1.00 0.00 ATOM 339 NE ARG A 41 37.855 16.397 2.412 1.00 0.00 ATOM 340 CZ ARG A 41 36.729 15.730 2.699 1.00 0.00 ATOM 341 NH1 ARG A 41 36.519 14.484 2.257 1.00 0.00 ATOM 342 NH2 ARG A 41 35.787 16.315 3.439 1.00 0.00 ATOM 343 O ARG A 41 40.239 21.319 1.125 1.00 0.00 ATOM 344 C ARG A 41 41.168 20.514 1.232 1.00 0.00 ATOM 345 N ILE A 42 42.388 20.625 1.918 1.00 0.00 ATOM 346 CA ILE A 42 42.672 21.861 2.636 1.00 0.00 ATOM 347 CB ILE A 42 43.350 21.151 4.131 1.00 0.00 ATOM 348 CG1 ILE A 42 44.846 21.062 3.780 1.00 0.00 ATOM 349 CG2 ILE A 42 42.846 19.777 4.523 1.00 0.00 ATOM 350 CD1 ILE A 42 45.725 20.820 4.976 1.00 0.00 ATOM 351 O ILE A 42 43.742 23.959 2.181 1.00 0.00 ATOM 352 C ILE A 42 43.382 22.869 1.739 1.00 0.00 ATOM 353 N GLY A 43 43.565 22.523 0.439 1.00 0.00 ATOM 354 CA GLY A 43 44.226 23.440 -0.468 1.00 0.00 ATOM 355 O GLY A 43 46.421 24.364 -0.761 1.00 0.00 ATOM 356 C GLY A 43 45.751 23.395 -0.395 1.00 0.00 ATOM 357 N LEU A 44 46.301 22.277 0.068 1.00 0.00 ATOM 358 CA LEU A 44 47.750 22.126 0.162 1.00 0.00 ATOM 359 CB LEU A 44 48.145 21.611 1.547 1.00 0.00 ATOM 360 CG LEU A 44 49.636 21.346 1.772 1.00 0.00 ATOM 361 CD1 LEU A 44 50.424 22.646 1.730 1.00 0.00 ATOM 362 CD2 LEU A 44 49.868 20.695 3.126 1.00 0.00 ATOM 363 O LEU A 44 47.952 19.966 -0.871 1.00 0.00 ATOM 364 C LEU A 44 48.342 21.135 -0.847 1.00 0.00 ATOM 365 N ASP A 45 49.346 21.582 -1.607 1.00 0.00 ATOM 366 CA ASP A 45 49.948 20.716 -2.622 1.00 0.00 ATOM 367 CB ASP A 45 49.989 21.467 -3.954 1.00 0.00 ATOM 368 CG ASP A 45 50.561 20.626 -5.078 1.00 0.00 ATOM 369 OD1 ASP A 45 51.056 19.515 -4.796 1.00 0.00 ATOM 370 OD2 ASP A 45 50.516 21.079 -6.243 1.00 0.00 ATOM 371 O ASP A 45 52.200 21.275 -2.026 1.00 0.00 ATOM 372 C ASP A 45 51.382 20.376 -2.221 1.00 0.00 ATOM 373 N ALA A 46 51.679 19.085 -2.094 1.00 0.00 ATOM 374 CA ALA A 46 53.020 18.650 -1.707 1.00 0.00 ATOM 375 CB ALA A 46 53.050 17.145 -1.500 1.00 0.00 ATOM 376 O ALA A 46 55.162 19.491 -2.363 1.00 0.00 ATOM 377 C ALA A 46 54.062 19.088 -2.730 1.00 0.00 ATOM 378 N ASP A 47 53.714 18.980 -3.988 1.00 0.00 ATOM 379 CA ASP A 47 54.655 19.326 -5.046 1.00 0.00 ATOM 380 CB ASP A 47 54.014 19.051 -6.407 1.00 0.00 ATOM 381 CG ASP A 47 53.860 17.571 -6.690 1.00 0.00 ATOM 382 OD1 ASP A 47 54.465 16.760 -5.958 1.00 0.00 ATOM 383 OD2 ASP A 47 53.134 17.222 -7.646 1.00 0.00 ATOM 384 O ASP A 47 56.176 21.221 -4.937 1.00 0.00 ATOM 385 C ASP A 47 55.010 20.809 -4.916 1.00 0.00 ATOM 386 N SER A 48 53.979 21.665 -4.718 1.00 0.00 ATOM 387 CA SER A 48 54.198 23.071 -4.499 1.00 0.00 ATOM 388 CB SER A 48 52.849 23.806 -4.443 1.00 0.00 ATOM 389 OG SER A 48 52.145 23.675 -5.671 1.00 0.00 ATOM 390 O SER A 48 55.852 24.237 -3.203 1.00 0.00 ATOM 391 C SER A 48 54.981 23.367 -3.223 1.00 0.00 ATOM 392 N ARG A 49 54.669 22.634 -2.160 1.00 0.00 ATOM 393 CA ARG A 49 55.341 22.820 -0.881 1.00 0.00 ATOM 394 CB ARG A 49 55.044 21.323 -0.169 1.00 0.00 ATOM 395 CG ARG A 49 54.826 21.199 1.274 1.00 0.00 ATOM 396 CD ARG A 49 54.833 19.683 1.695 1.00 0.00 ATOM 397 NE ARG A 49 53.493 19.056 1.668 1.00 0.00 ATOM 398 CZ ARG A 49 53.313 17.822 2.083 1.00 0.00 ATOM 399 NH1 ARG A 49 54.325 17.078 2.522 1.00 0.00 ATOM 400 NH2 ARG A 49 52.054 17.319 2.156 1.00 0.00 ATOM 401 O ARG A 49 57.633 23.188 -0.279 1.00 0.00 ATOM 402 C ARG A 49 56.855 22.523 -0.941 1.00 0.00 ATOM 403 N GLY A 50 57.215 21.486 -1.689 1.00 0.00 ATOM 404 CA GLY A 50 58.602 21.054 -1.780 1.00 0.00 ATOM 405 O GLY A 50 60.563 22.430 -1.925 1.00 0.00 ATOM 406 C GLY A 50 59.415 22.225 -2.326 1.00 0.00 ATOM 407 N GLN A 51 58.812 22.995 -3.224 1.00 0.00 ATOM 408 CA GLN A 51 59.475 24.150 -3.823 1.00 0.00 ATOM 409 CB GLN A 51 58.614 24.752 -4.934 1.00 0.00 ATOM 410 CG GLN A 51 58.523 23.895 -6.186 1.00 0.00 ATOM 411 CD GLN A 51 57.630 24.504 -7.246 1.00 0.00 ATOM 412 OE1 GLN A 51 57.101 25.601 -7.071 1.00 0.00 ATOM 413 NE2 GLN A 51 57.458 23.790 -8.354 1.00 0.00 ATOM 414 O GLN A 51 60.715 25.951 -2.833 1.00 0.00 ATOM 415 C GLN A 51 59.738 25.201 -2.750 1.00 0.00 ATOM 416 N SER A 52 58.889 25.245 -1.728 1.00 0.00 ATOM 417 CA SER A 52 59.056 26.202 -0.641 1.00 0.00 ATOM 418 CB SER A 52 57.717 26.676 -0.110 1.00 0.00 ATOM 419 OG SER A 52 56.939 25.599 0.381 1.00 0.00 ATOM 420 O SER A 52 60.076 26.166 1.531 1.00 0.00 ATOM 421 C SER A 52 59.899 25.574 0.466 1.00 0.00 ATOM 422 N GLY A 53 60.434 24.361 0.179 1.00 0.00 ATOM 423 CA GLY A 53 61.262 23.676 1.153 1.00 0.00 ATOM 424 O GLY A 53 61.049 22.630 3.266 1.00 0.00 ATOM 425 C GLY A 53 60.474 22.990 2.266 1.00 0.00 ATOM 426 N ASN A 54 59.177 22.889 2.099 1.00 0.00 ATOM 427 CA ASN A 54 58.347 22.206 3.096 1.00 0.00 ATOM 428 CB ASN A 54 57.710 23.374 3.969 1.00 0.00 ATOM 429 CG ASN A 54 56.955 24.331 3.077 1.00 0.00 ATOM 430 ND2 ASN A 54 56.982 25.616 3.425 1.00 0.00 ATOM 431 OD1 ASN A 54 56.347 23.922 2.088 1.00 0.00 ATOM 432 O ASN A 54 57.441 20.659 1.498 1.00 0.00 ATOM 433 C ASN A 54 57.903 20.821 2.630 1.00 0.00 ATOM 434 N SER A 55 58.145 19.811 3.458 1.00 0.00 ATOM 435 CA SER A 55 57.757 18.445 3.130 1.00 0.00 ATOM 436 CB SER A 55 58.895 17.697 2.429 1.00 0.00 ATOM 437 OG SER A 55 60.000 17.522 3.297 1.00 0.00 ATOM 438 O SER A 55 57.613 18.187 5.515 1.00 0.00 ATOM 439 C SER A 55 57.371 17.706 4.407 1.00 0.00 ATOM 440 N LEU A 56 56.762 16.534 4.245 1.00 0.00 ATOM 441 CA LEU A 56 56.325 15.739 5.390 1.00 0.00 ATOM 442 CB LEU A 56 54.799 15.649 5.451 1.00 0.00 ATOM 443 CG LEU A 56 54.048 16.973 5.609 1.00 0.00 ATOM 444 CD1 LEU A 56 52.546 16.751 5.524 1.00 0.00 ATOM 445 CD2 LEU A 56 54.358 17.609 6.955 1.00 0.00 ATOM 446 O LEU A 56 56.769 13.683 4.246 1.00 0.00 ATOM 447 C LEU A 56 56.874 14.327 5.291 1.00 0.00 ATOM 448 N PHE A 57 57.465 13.846 6.378 1.00 0.00 ATOM 449 CA PHE A 57 58.016 12.503 6.375 1.00 0.00 ATOM 450 CB PHE A 57 59.546 12.545 6.428 1.00 0.00 ATOM 451 CG PHE A 57 60.195 12.803 5.113 1.00 0.00 ATOM 452 CD1 PHE A 57 60.469 14.103 4.703 1.00 0.00 ATOM 453 CD2 PHE A 57 60.566 11.740 4.291 1.00 0.00 ATOM 454 CE1 PHE A 57 61.103 14.342 3.493 1.00 0.00 ATOM 455 CE2 PHE A 57 61.200 11.965 3.084 1.00 0.00 ATOM 456 CZ PHE A 57 61.474 13.268 2.680 1.00 0.00 ATOM 457 O PHE A 57 57.255 12.238 8.636 1.00 0.00 ATOM 458 C PHE A 57 57.497 11.696 7.557 1.00 0.00 ATOM 459 N THR A 58 57.314 10.397 7.341 1.00 0.00 ATOM 460 CA THR A 58 56.840 9.520 8.404 1.00 0.00 ATOM 461 CB THR A 58 56.259 8.203 7.838 1.00 0.00 ATOM 462 CG2 THR A 58 55.847 7.262 8.972 1.00 0.00 ATOM 463 OG1 THR A 58 55.105 8.495 7.037 1.00 0.00 ATOM 464 O THR A 58 59.117 8.998 8.951 1.00 0.00 ATOM 465 C THR A 58 58.003 9.310 9.368 1.00 0.00 ATOM 466 N LEU A 59 57.745 9.508 10.660 1.00 0.00 ATOM 467 CA LEU A 59 58.759 9.343 11.693 1.00 0.00 ATOM 468 CB LEU A 59 58.887 10.798 12.411 1.00 0.00 ATOM 469 CG LEU A 59 59.903 10.800 13.525 1.00 0.00 ATOM 470 CD1 LEU A 59 61.384 10.478 13.107 1.00 0.00 ATOM 471 CD2 LEU A 59 59.955 12.114 14.268 1.00 0.00 ATOM 472 O LEU A 59 59.493 7.461 12.992 1.00 0.00 ATOM 473 C LEU A 59 58.540 8.036 12.453 1.00 0.00 ATOM 474 N GLU A 60 57.314 7.643 12.568 1.00 0.00 ATOM 475 CA GLU A 60 56.890 6.424 13.289 1.00 0.00 ATOM 476 CB GLU A 60 56.455 6.647 14.725 1.00 0.00 ATOM 477 CG GLU A 60 55.870 5.363 15.350 1.00 0.00 ATOM 478 CD GLU A 60 55.502 5.547 16.828 1.00 0.00 ATOM 479 OE1 GLU A 60 55.073 6.652 17.145 1.00 0.00 ATOM 480 OE2 GLU A 60 55.688 4.601 17.603 1.00 0.00 ATOM 481 O GLU A 60 54.720 6.882 12.381 1.00 0.00 ATOM 482 C GLU A 60 55.531 6.025 12.729 1.00 0.00 ATOM 483 N ALA A 61 55.291 4.724 12.635 1.00 0.00 ATOM 484 CA ALA A 61 54.036 4.232 12.090 1.00 0.00 ATOM 485 CB ALA A 61 54.042 4.177 10.569 1.00 0.00 ATOM 486 O ALA A 61 54.592 1.930 12.482 1.00 0.00 ATOM 487 C ALA A 61 53.753 2.825 12.598 1.00 0.00 ATOM 488 N HIS A 62 52.577 2.645 13.191 1.00 0.00 ATOM 489 CA HIS A 62 52.164 1.337 13.689 1.00 0.00 ATOM 490 CB HIS A 62 51.658 1.636 15.097 1.00 0.00 ATOM 491 CG HIS A 62 51.164 0.349 15.716 1.00 0.00 ATOM 492 CD2 HIS A 62 51.329 -0.900 15.289 1.00 0.00 ATOM 493 ND1 HIS A 62 50.394 0.353 16.894 1.00 0.00 ATOM 494 CE1 HIS A 62 50.198 -0.928 17.102 1.00 0.00 ATOM 495 NE2 HIS A 62 50.708 -1.716 16.210 1.00 0.00 ATOM 496 O HIS A 62 49.923 1.744 12.951 1.00 0.00 ATOM 497 C HIS A 62 50.874 0.962 12.974 1.00 0.00 ATOM 498 N ILE A 63 50.862 -0.217 12.361 1.00 0.00 ATOM 499 CA ILE A 63 49.676 -0.692 11.665 1.00 0.00 ATOM 500 CB ILE A 63 49.950 -0.843 10.157 1.00 0.00 ATOM 501 CG1 ILE A 63 50.352 0.504 9.551 1.00 0.00 ATOM 502 CG2 ILE A 63 48.712 -1.345 9.436 1.00 0.00 ATOM 503 CD1 ILE A 63 50.843 0.409 8.123 1.00 0.00 ATOM 504 O ILE A 63 50.175 -2.935 12.371 1.00 0.00 ATOM 505 C ILE A 63 49.306 -2.068 12.218 1.00 0.00 ATOM 506 N ASN A 64 48.036 -2.241 12.505 1.00 0.00 ATOM 507 CA ASN A 64 47.524 -3.506 13.007 1.00 0.00 ATOM 508 CB ASN A 64 47.467 -3.514 14.573 1.00 0.00 ATOM 509 CG ASN A 64 46.388 -2.600 15.124 1.00 0.00 ATOM 510 ND2 ASN A 64 46.578 -2.160 16.369 1.00 0.00 ATOM 511 OD1 ASN A 64 45.395 -2.315 14.467 1.00 0.00 ATOM 512 O ASN A 64 45.671 -3.314 11.488 1.00 0.00 ATOM 513 C ASN A 64 46.574 -4.031 11.912 1.00 0.00 ATOM 514 N TYR A 65 46.770 -5.256 11.521 1.00 0.00 ATOM 515 CA TYR A 65 45.914 -5.852 10.484 1.00 0.00 ATOM 516 CB TYR A 65 46.746 -6.671 9.494 1.00 0.00 ATOM 517 CG TYR A 65 47.732 -5.862 8.716 1.00 0.00 ATOM 518 CD1 TYR A 65 48.991 -5.577 9.236 1.00 0.00 ATOM 519 CD2 TYR A 65 47.395 -5.345 7.471 1.00 0.00 ATOM 520 CE1 TYR A 65 49.896 -4.789 8.526 1.00 0.00 ATOM 521 CE2 TYR A 65 48.282 -4.557 6.753 1.00 0.00 ATOM 522 CZ TYR A 65 49.532 -4.284 7.288 1.00 0.00 ATOM 523 OH TYR A 65 50.420 -3.510 6.569 1.00 0.00 ATOM 524 O TYR A 65 45.240 -7.611 11.969 1.00 0.00 ATOM 525 C TYR A 65 44.897 -6.814 11.098 1.00 0.00 ATOM 526 N LEU A 66 43.658 -6.753 10.619 1.00 0.00 ATOM 527 CA LEU A 66 42.575 -7.597 11.143 1.00 0.00 ATOM 528 CB LEU A 66 41.458 -6.754 11.761 1.00 0.00 ATOM 529 CG LEU A 66 41.840 -5.901 12.972 1.00 0.00 ATOM 530 CD1 LEU A 66 40.672 -5.031 13.408 1.00 0.00 ATOM 531 CD2 LEU A 66 42.239 -6.780 14.145 1.00 0.00 ATOM 532 O LEU A 66 41.561 -9.638 10.372 1.00 0.00 ATOM 533 C LEU A 66 41.889 -8.476 10.103 1.00 0.00 ATOM 534 N HIS A 67 41.647 -7.907 8.927 1.00 0.00 ATOM 535 CA HIS A 67 40.974 -8.627 7.853 1.00 0.00 ATOM 536 CB HIS A 67 39.469 -8.353 7.872 1.00 0.00 ATOM 537 CG HIS A 67 38.784 -8.826 9.115 1.00 0.00 ATOM 538 CD2 HIS A 67 38.286 -8.198 10.331 1.00 0.00 ATOM 539 ND1 HIS A 67 38.471 -10.150 9.335 1.00 0.00 ATOM 540 CE1 HIS A 67 37.867 -10.264 10.532 1.00 0.00 ATOM 541 NE2 HIS A 67 37.751 -9.096 11.133 1.00 0.00 ATOM 542 O HIS A 67 42.288 -7.192 6.450 1.00 0.00 ATOM 543 C HIS A 67 41.624 -8.225 6.534 1.00 0.00 ATOM 544 N GLU A 68 41.427 -9.030 5.481 1.00 0.00 ATOM 545 CA GLU A 68 42.024 -8.718 4.181 1.00 0.00 ATOM 546 CB GLU A 68 42.483 -9.975 3.441 1.00 0.00 ATOM 547 CG GLU A 68 43.641 -10.701 4.110 1.00 0.00 ATOM 548 CD GLU A 68 44.890 -9.845 4.195 1.00 0.00 ATOM 549 OE1 GLU A 68 45.343 -9.349 3.143 1.00 0.00 ATOM 550 OE2 GLU A 68 45.417 -9.679 5.317 1.00 0.00 ATOM 551 O GLU A 68 39.945 -8.494 3.031 1.00 0.00 ATOM 552 C GLU A 68 41.090 -8.109 3.157 1.00 0.00 ATOM 553 N VAL A 69 41.605 -7.255 2.313 1.00 0.00 ATOM 554 CA VAL A 69 40.938 -6.699 1.154 1.00 0.00 ATOM 555 CB VAL A 69 41.400 -5.241 0.984 1.00 0.00 ATOM 556 CG1 VAL A 69 40.686 -4.589 -0.188 1.00 0.00 ATOM 557 CG2 VAL A 69 41.101 -4.440 2.241 1.00 0.00 ATOM 558 O VAL A 69 42.407 -8.077 -0.141 1.00 0.00 ATOM 559 C VAL A 69 41.304 -7.532 -0.070 1.00 0.00 ATOM 560 N LYS A 70 40.391 -7.656 -1.029 1.00 0.00 ATOM 561 CA LYS A 70 40.696 -8.440 -2.218 1.00 0.00 ATOM 562 CB LYS A 70 39.738 -9.632 -2.295 1.00 0.00 ATOM 563 CG LYS A 70 39.886 -10.623 -1.149 1.00 0.00 ATOM 564 CD LYS A 70 38.880 -11.754 -1.266 1.00 0.00 ATOM 565 CE LYS A 70 39.021 -12.738 -0.114 1.00 0.00 ATOM 566 NZ LYS A 70 38.100 -13.900 -0.261 1.00 0.00 ATOM 567 O LYS A 70 40.229 -6.466 -3.503 1.00 0.00 ATOM 568 C LYS A 70 40.598 -7.640 -3.505 1.00 0.00 ATOM 569 N LEU A 71 40.940 -8.296 -4.604 1.00 0.00 ATOM 570 CA LEU A 71 40.901 -7.673 -5.916 1.00 0.00 ATOM 571 CB LEU A 71 41.224 -8.700 -7.003 1.00 0.00 ATOM 572 CG LEU A 71 41.282 -8.170 -8.438 1.00 0.00 ATOM 573 CD1 LEU A 71 42.422 -7.179 -8.603 1.00 0.00 ATOM 574 CD2 LEU A 71 41.498 -9.310 -9.423 1.00 0.00 ATOM 575 O LEU A 71 38.504 -7.814 -5.991 1.00 0.00 ATOM 576 C LEU A 71 39.507 -7.120 -6.185 1.00 0.00 ATOM 577 N GLY A 72 39.466 -5.863 -6.615 1.00 0.00 ATOM 578 CA GLY A 72 38.238 -5.155 -6.955 1.00 0.00 ATOM 579 O GLY A 72 36.460 -3.812 -6.086 1.00 0.00 ATOM 580 C GLY A 72 37.426 -4.534 -5.831 1.00 0.00 ATOM 581 N THR A 73 37.795 -4.807 -4.592 1.00 0.00 ATOM 582 CA THR A 73 37.086 -4.263 -3.434 1.00 0.00 ATOM 583 CB THR A 73 37.687 -4.874 -2.153 1.00 0.00 ATOM 584 CG2 THR A 73 36.948 -4.393 -0.894 1.00 0.00 ATOM 585 OG1 THR A 73 37.502 -6.300 -2.164 1.00 0.00 ATOM 586 O THR A 73 38.382 -2.250 -3.525 1.00 0.00 ATOM 587 C THR A 73 37.282 -2.753 -3.361 1.00 0.00 ATOM 588 N GLU A 74 36.186 -1.998 -3.200 1.00 0.00 ATOM 589 CA GLU A 74 36.240 -0.568 -3.037 1.00 0.00 ATOM 590 CB GLU A 74 35.088 0.084 -3.836 1.00 0.00 ATOM 591 CG GLU A 74 35.206 -0.044 -5.342 1.00 0.00 ATOM 592 CD GLU A 74 33.876 0.152 -6.057 1.00 0.00 ATOM 593 OE1 GLU A 74 33.035 -0.775 -6.015 1.00 0.00 ATOM 594 OE2 GLU A 74 33.673 1.231 -6.653 1.00 0.00 ATOM 595 O GLU A 74 36.042 -1.285 -0.780 1.00 0.00 ATOM 596 C GLU A 74 36.511 -0.441 -1.546 1.00 0.00 ATOM 597 N VAL A 75 37.506 0.333 -1.179 1.00 0.00 ATOM 598 CA VAL A 75 37.842 0.515 0.223 1.00 0.00 ATOM 599 CB VAL A 75 39.293 0.037 0.564 1.00 0.00 ATOM 600 CG1 VAL A 75 39.504 -1.412 0.131 1.00 0.00 ATOM 601 CG2 VAL A 75 40.311 0.947 -0.126 1.00 0.00 ATOM 602 O VAL A 75 37.810 2.852 -0.288 1.00 0.00 ATOM 603 C VAL A 75 37.713 1.983 0.575 1.00 0.00 ATOM 604 N TRP A 76 37.587 2.252 1.869 1.00 0.00 ATOM 605 CA TRP A 76 37.527 3.613 2.353 1.00 0.00 ATOM 606 CB TRP A 76 36.214 3.852 3.091 1.00 0.00 ATOM 607 CG TRP A 76 35.069 4.132 2.177 1.00 0.00 ATOM 608 CD1 TRP A 76 34.141 3.241 1.715 1.00 0.00 ATOM 609 CD2 TRP A 76 34.711 5.405 1.636 1.00 0.00 ATOM 610 CE2 TRP A 76 33.548 5.216 0.855 1.00 0.00 ATOM 611 CE3 TRP A 76 35.259 6.692 1.735 1.00 0.00 ATOM 612 NE1 TRP A 76 33.223 3.885 0.920 1.00 0.00 ATOM 613 CZ2 TRP A 76 32.923 6.267 0.179 1.00 0.00 ATOM 614 CZ3 TRP A 76 34.635 7.739 1.062 1.00 0.00 ATOM 615 CH2 TRP A 76 33.478 7.518 0.293 1.00 0.00 ATOM 616 O TRP A 76 38.789 3.047 4.305 1.00 0.00 ATOM 617 C TRP A 76 38.673 3.812 3.347 1.00 0.00 ATOM 618 N VAL A 77 39.456 4.836 3.154 1.00 0.00 ATOM 619 CA VAL A 77 40.511 5.128 4.113 1.00 0.00 ATOM 620 CB VAL A 77 41.805 5.543 3.387 1.00 0.00 ATOM 621 CG1 VAL A 77 42.887 5.906 4.391 1.00 0.00 ATOM 622 CG2 VAL A 77 42.316 4.406 2.516 1.00 0.00 ATOM 623 O VAL A 77 39.436 7.237 4.400 1.00 0.00 ATOM 624 C VAL A 77 39.949 6.263 4.951 1.00 0.00 ATOM 625 N GLN A 78 39.997 6.125 6.274 1.00 0.00 ATOM 626 CA GLN A 78 39.493 7.169 7.160 1.00 0.00 ATOM 627 CB GLN A 78 38.556 6.600 8.205 1.00 0.00 ATOM 628 CG GLN A 78 37.290 5.993 7.593 1.00 0.00 ATOM 629 CD GLN A 78 36.376 5.356 8.610 1.00 0.00 ATOM 630 OE1 GLN A 78 36.414 5.691 9.793 1.00 0.00 ATOM 631 NE2 GLN A 78 35.524 4.445 8.144 1.00 0.00 ATOM 632 O GLN A 78 41.456 7.122 8.532 1.00 0.00 ATOM 633 C GLN A 78 40.653 7.813 7.913 1.00 0.00 ATOM 634 N THR A 79 40.745 9.136 7.831 1.00 0.00 ATOM 635 CA THR A 79 41.841 9.863 8.458 1.00 0.00 ATOM 636 CB THR A 79 42.719 10.516 7.374 1.00 0.00 ATOM 637 CG2 THR A 79 43.260 9.464 6.421 1.00 0.00 ATOM 638 OG1 THR A 79 41.936 11.460 6.629 1.00 0.00 ATOM 639 O THR A 79 40.532 11.805 9.049 1.00 0.00 ATOM 640 C THR A 79 41.412 11.002 9.377 1.00 0.00 ATOM 641 N GLN A 80 42.081 11.049 10.562 1.00 0.00 ATOM 642 CA GLN A 80 41.858 12.109 11.535 1.00 0.00 ATOM 643 CB GLN A 80 40.967 11.632 12.674 1.00 0.00 ATOM 644 CG GLN A 80 39.565 11.285 12.193 1.00 0.00 ATOM 645 CD GLN A 80 38.663 10.760 13.300 1.00 0.00 ATOM 646 OE1 GLN A 80 38.880 9.675 13.793 1.00 0.00 ATOM 647 NE2 GLN A 80 37.627 11.506 13.636 1.00 0.00 ATOM 648 O GLN A 80 44.128 11.771 12.208 1.00 0.00 ATOM 649 C GLN A 80 43.184 12.558 12.142 1.00 0.00 ATOM 650 N ILE A 81 43.339 13.856 12.369 1.00 0.00 ATOM 651 CA ILE A 81 44.552 14.358 13.003 1.00 0.00 ATOM 652 CB ILE A 81 44.950 15.715 12.422 1.00 0.00 ATOM 653 CG1 ILE A 81 45.331 15.563 10.938 1.00 0.00 ATOM 654 CG2 ILE A 81 46.091 16.333 13.217 1.00 0.00 ATOM 655 CD1 ILE A 81 45.321 16.857 10.191 1.00 0.00 ATOM 656 O ILE A 81 43.430 15.256 14.897 1.00 0.00 ATOM 657 C ILE A 81 44.241 14.404 14.485 1.00 0.00 ATOM 658 N LEU A 82 44.852 13.601 15.279 1.00 0.00 ATOM 659 CA LEU A 82 44.602 13.524 16.712 1.00 0.00 ATOM 660 CB LEU A 82 44.830 12.079 17.168 1.00 0.00 ATOM 661 CG LEU A 82 43.775 11.118 16.674 1.00 0.00 ATOM 662 CD1 LEU A 82 44.168 9.698 17.089 1.00 0.00 ATOM 663 CD2 LEU A 82 42.378 11.481 17.219 1.00 0.00 ATOM 664 O LEU A 82 45.159 14.777 18.674 1.00 0.00 ATOM 665 C LEU A 82 45.512 14.414 17.554 1.00 0.00 ATOM 666 N GLY A 83 46.695 14.731 17.034 1.00 0.00 ATOM 667 CA GLY A 83 47.643 15.577 17.758 1.00 0.00 ATOM 668 O GLY A 83 48.851 16.067 15.746 1.00 0.00 ATOM 669 C GLY A 83 48.455 16.476 16.841 1.00 0.00 ATOM 670 N PHE A 84 48.677 17.713 17.282 1.00 0.00 ATOM 671 CA PHE A 84 49.466 18.680 16.527 1.00 0.00 ATOM 672 CB PHE A 84 48.551 19.739 15.905 1.00 0.00 ATOM 673 CG PHE A 84 49.289 20.811 15.142 1.00 0.00 ATOM 674 CD1 PHE A 84 49.833 20.543 13.888 1.00 0.00 ATOM 675 CD2 PHE A 84 49.452 22.085 15.687 1.00 0.00 ATOM 676 CE1 PHE A 84 50.535 21.531 13.184 1.00 0.00 ATOM 677 CE2 PHE A 84 50.152 23.079 14.991 1.00 0.00 ATOM 678 CZ PHE A 84 50.692 22.796 13.736 1.00 0.00 ATOM 679 O PHE A 84 50.068 19.896 18.500 1.00 0.00 ATOM 680 C PHE A 84 50.457 19.348 17.467 1.00 0.00 ATOM 681 N ASP A 85 51.738 19.267 17.127 1.00 0.00 ATOM 682 CA ASP A 85 52.773 19.883 17.940 1.00 0.00 ATOM 683 CB ASP A 85 53.705 18.827 18.541 1.00 0.00 ATOM 684 CG ASP A 85 54.427 19.324 19.778 1.00 0.00 ATOM 685 OD1 ASP A 85 54.345 20.535 20.066 1.00 0.00 ATOM 686 OD2 ASP A 85 55.075 18.501 20.458 1.00 0.00 ATOM 687 O ASP A 85 53.191 21.221 15.975 1.00 0.00 ATOM 688 C ASP A 85 53.599 20.826 17.074 1.00 0.00 ATOM 689 N ARG A 86 54.794 21.300 17.645 1.00 0.00 ATOM 690 CA ARG A 86 55.588 22.320 16.969 1.00 0.00 ATOM 691 CB ARG A 86 56.941 22.502 17.541 1.00 0.00 ATOM 692 CG ARG A 86 56.906 23.298 18.845 1.00 0.00 ATOM 693 CD ARG A 86 58.298 23.729 19.282 1.00 0.00 ATOM 694 NE ARG A 86 59.104 22.588 19.680 1.00 0.00 ATOM 695 CZ ARG A 86 59.018 22.009 20.872 1.00 0.00 ATOM 696 NH1 ARG A 86 58.166 22.481 21.773 1.00 0.00 ATOM 697 NH2 ARG A 86 59.769 20.954 21.158 1.00 0.00 ATOM 698 O ARG A 86 55.471 22.584 14.590 1.00 0.00 ATOM 699 C ARG A 86 55.915 21.931 15.537 1.00 0.00 ATOM 700 N LYS A 87 56.647 20.832 15.380 1.00 0.00 ATOM 701 CA LYS A 87 57.053 20.379 14.054 1.00 0.00 ATOM 702 CB LYS A 87 58.748 20.265 14.215 1.00 0.00 ATOM 703 CG LYS A 87 59.421 21.092 15.314 1.00 0.00 ATOM 704 CD LYS A 87 60.786 20.507 15.647 1.00 0.00 ATOM 705 CE LYS A 87 61.729 21.589 16.221 1.00 0.00 ATOM 706 NZ LYS A 87 62.814 20.980 17.044 1.00 0.00 ATOM 707 O LYS A 87 56.833 18.479 12.634 1.00 0.00 ATOM 708 C LYS A 87 56.354 19.116 13.576 1.00 0.00 ATOM 709 N ARG A 88 55.277 18.570 14.310 1.00 0.00 ATOM 710 CA ARG A 88 54.688 17.280 14.002 1.00 0.00 ATOM 711 CB ARG A 88 55.284 16.225 14.961 1.00 0.00 ATOM 712 CG ARG A 88 54.839 16.360 16.335 1.00 0.00 ATOM 713 CD ARG A 88 55.613 15.389 17.310 1.00 0.00 ATOM 714 NE ARG A 88 55.070 15.466 18.653 1.00 0.00 ATOM 715 CZ ARG A 88 55.421 14.650 19.640 1.00 0.00 ATOM 716 NH1 ARG A 88 56.286 13.692 19.406 1.00 0.00 ATOM 717 NH2 ARG A 88 54.863 14.756 20.846 1.00 0.00 ATOM 718 O ARG A 88 52.514 18.086 14.650 1.00 0.00 ATOM 719 C ARG A 88 53.182 17.189 14.171 1.00 0.00 ATOM 720 N LEU A 89 52.842 16.092 13.656 1.00 0.00 ATOM 721 CA LEU A 89 51.430 15.782 13.829 1.00 0.00 ATOM 722 CB LEU A 89 50.623 16.149 12.582 1.00 0.00 ATOM 723 CG LEU A 89 50.823 15.361 11.284 1.00 0.00 ATOM 724 CD1 LEU A 89 49.606 15.568 10.375 1.00 0.00 ATOM 725 CD2 LEU A 89 52.100 15.813 10.591 1.00 0.00 ATOM 726 O LEU A 89 52.144 13.507 13.604 1.00 0.00 ATOM 727 C LEU A 89 51.264 14.284 13.992 1.00 0.00 ATOM 728 N HIS A 90 50.126 13.915 14.581 1.00 0.00 ATOM 729 CA HIS A 90 49.804 12.508 14.800 1.00 0.00 ATOM 730 CB HIS A 90 49.417 12.403 16.214 1.00 0.00 ATOM 731 CG HIS A 90 50.693 12.371 16.993 1.00 0.00 ATOM 732 CD2 HIS A 90 51.884 11.783 16.730 1.00 0.00 ATOM 733 ND1 HIS A 90 50.852 13.038 18.188 1.00 0.00 ATOM 734 CE1 HIS A 90 52.086 12.867 18.626 1.00 0.00 ATOM 735 NE2 HIS A 90 52.733 12.109 17.758 1.00 0.00 ATOM 736 O HIS A 90 47.431 12.835 14.535 1.00 0.00 ATOM 737 C HIS A 90 48.443 12.229 14.175 1.00 0.00 ATOM 738 N VAL A 91 48.486 11.317 13.114 1.00 0.00 ATOM 739 CA VAL A 91 47.284 10.964 12.379 1.00 0.00 ATOM 740 CB VAL A 91 47.442 11.278 10.857 1.00 0.00 ATOM 741 CG1 VAL A 91 47.747 12.746 10.649 1.00 0.00 ATOM 742 CG2 VAL A 91 48.545 10.400 10.280 1.00 0.00 ATOM 743 O VAL A 91 47.614 8.619 12.828 1.00 0.00 ATOM 744 C VAL A 91 46.810 9.554 12.717 1.00 0.00 ATOM 745 N TYR A 92 45.508 9.440 12.901 1.00 0.00 ATOM 746 CA TYR A 92 44.914 8.148 13.224 1.00 0.00 ATOM 747 CB TYR A 92 44.039 8.283 14.473 1.00 0.00 ATOM 748 CG TYR A 92 43.393 6.987 14.899 1.00 0.00 ATOM 749 CD1 TYR A 92 44.126 5.995 15.543 1.00 0.00 ATOM 750 CD2 TYR A 92 42.034 6.734 14.629 1.00 0.00 ATOM 751 CE1 TYR A 92 43.524 4.779 15.921 1.00 0.00 ATOM 752 CE2 TYR A 92 41.432 5.548 14.992 1.00 0.00 ATOM 753 CZ TYR A 92 42.169 4.572 15.637 1.00 0.00 ATOM 754 OH TYR A 92 41.573 3.378 16.007 1.00 0.00 ATOM 755 O TYR A 92 43.288 8.539 11.506 1.00 0.00 ATOM 756 C TYR A 92 44.131 7.771 11.972 1.00 0.00 ATOM 757 N HIS A 93 44.437 6.610 11.406 1.00 0.00 ATOM 758 CA HIS A 93 43.787 6.182 10.179 1.00 0.00 ATOM 759 CB HIS A 93 44.791 6.212 9.002 1.00 0.00 ATOM 760 CG HIS A 93 45.468 7.550 8.741 1.00 0.00 ATOM 761 CD2 HIS A 93 44.983 8.813 9.048 1.00 0.00 ATOM 762 ND1 HIS A 93 46.662 7.721 8.183 1.00 0.00 ATOM 763 CE1 HIS A 93 46.908 9.026 8.141 1.00 0.00 ATOM 764 NE2 HIS A 93 45.893 9.669 8.662 1.00 0.00 ATOM 765 O HIS A 93 43.779 3.948 11.044 1.00 0.00 ATOM 766 C HIS A 93 43.296 4.745 10.244 1.00 0.00 ATOM 767 N SER A 94 42.373 4.476 9.421 1.00 0.00 ATOM 768 CA SER A 94 41.870 3.117 9.345 1.00 0.00 ATOM 769 CB SER A 94 40.721 2.923 10.335 1.00 0.00 ATOM 770 OG SER A 94 39.599 3.709 9.976 1.00 0.00 ATOM 771 O SER A 94 41.133 3.753 7.151 1.00 0.00 ATOM 772 C SER A 94 41.389 2.835 7.933 1.00 0.00 ATOM 773 N LEU A 95 41.333 1.561 7.584 1.00 0.00 ATOM 774 CA LEU A 95 40.883 1.170 6.262 1.00 0.00 ATOM 775 CB LEU A 95 42.074 0.543 5.524 1.00 0.00 ATOM 776 CG LEU A 95 41.779 0.080 4.099 1.00 0.00 ATOM 777 CD1 LEU A 95 41.413 1.257 3.166 1.00 0.00 ATOM 778 CD2 LEU A 95 43.007 -0.638 3.519 1.00 0.00 ATOM 779 O LEU A 95 39.894 -0.846 7.106 1.00 0.00 ATOM 780 C LEU A 95 39.738 0.180 6.442 1.00 0.00 ATOM 781 N HIS A 96 38.607 0.475 5.812 1.00 0.00 ATOM 782 CA HIS A 96 37.435 -0.387 5.902 1.00 0.00 ATOM 783 CB HIS A 96 36.227 0.408 6.384 1.00 0.00 ATOM 784 CG HIS A 96 36.323 0.817 7.814 1.00 0.00 ATOM 785 CD2 HIS A 96 37.251 1.553 8.480 1.00 0.00 ATOM 786 ND1 HIS A 96 35.416 0.404 8.758 1.00 0.00 ATOM 787 CE1 HIS A 96 35.750 0.908 9.937 1.00 0.00 ATOM 788 NE2 HIS A 96 36.878 1.570 9.803 1.00 0.00 ATOM 789 O HIS A 96 37.256 -0.119 3.525 1.00 0.00 ATOM 790 C HIS A 96 36.988 -0.797 4.526 1.00 0.00 ATOM 791 N ARG A 97 36.239 -1.949 4.532 1.00 0.00 ATOM 792 CA ARG A 97 35.706 -2.392 3.254 1.00 0.00 ATOM 793 CB ARG A 97 35.121 -3.801 3.387 1.00 0.00 ATOM 794 CG ARG A 97 34.911 -4.524 2.044 1.00 0.00 ATOM 795 CD ARG A 97 34.341 -5.951 2.212 1.00 0.00 ATOM 796 NE ARG A 97 35.235 -6.911 2.882 1.00 0.00 ATOM 797 CZ ARG A 97 36.308 -7.479 2.329 1.00 0.00 ATOM 798 NH1 ARG A 97 36.662 -7.195 1.080 1.00 0.00 ATOM 799 NH2 ARG A 97 37.026 -8.362 3.015 1.00 0.00 ATOM 800 O ARG A 97 33.800 -0.968 3.585 1.00 0.00 ATOM 801 C ARG A 97 34.661 -1.371 2.796 1.00 0.00 ATOM 802 N ALA A 98 34.723 -0.942 1.541 1.00 0.00 ATOM 803 CA ALA A 98 33.776 0.057 1.054 1.00 0.00 ATOM 804 CB ALA A 98 34.084 0.662 -0.294 1.00 0.00 ATOM 805 O ALA A 98 31.451 0.639 1.155 1.00 0.00 ATOM 806 C ALA A 98 32.281 -0.271 1.103 1.00 0.00 ATOM 807 N GLY A 99 31.928 -1.552 1.089 1.00 0.00 ATOM 808 CA GLY A 99 30.518 -1.943 1.117 1.00 0.00 ATOM 809 O GLY A 99 28.766 -2.150 2.739 1.00 0.00 ATOM 810 C GLY A 99 29.948 -2.364 2.467 1.00 0.00 ATOM 811 N PHE A 100 30.767 -2.957 3.326 1.00 0.00 ATOM 812 CA PHE A 100 30.276 -3.477 4.595 1.00 0.00 ATOM 813 CB PHE A 100 30.639 -4.996 4.717 1.00 0.00 ATOM 814 CG PHE A 100 30.083 -5.860 3.606 1.00 0.00 ATOM 815 CD1 PHE A 100 30.732 -5.946 2.380 1.00 0.00 ATOM 816 CD2 PHE A 100 28.904 -6.571 3.802 1.00 0.00 ATOM 817 CE1 PHE A 100 30.217 -6.737 1.355 1.00 0.00 ATOM 818 CE2 PHE A 100 28.378 -7.364 2.779 1.00 0.00 ATOM 819 CZ PHE A 100 29.036 -7.446 1.562 1.00 0.00 ATOM 820 O PHE A 100 30.369 -3.163 6.943 1.00 0.00 ATOM 821 C PHE A 100 30.847 -2.872 5.853 1.00 0.00 ATOM 822 N ASP A 101 31.941 -1.995 5.633 1.00 0.00 ATOM 823 CA ASP A 101 32.621 -1.333 6.761 1.00 0.00 ATOM 824 CB ASP A 101 31.538 -0.672 7.614 1.00 0.00 ATOM 825 CG ASP A 101 30.786 0.411 6.866 1.00 0.00 ATOM 826 OD1 ASP A 101 31.445 1.262 6.232 1.00 0.00 ATOM 827 OD2 ASP A 101 29.538 0.409 6.917 1.00 0.00 ATOM 828 O ASP A 101 33.900 -1.824 8.711 1.00 0.00 ATOM 829 C ASP A 101 33.479 -2.233 7.633 1.00 0.00 ATOM 830 N GLU A 102 33.754 -3.459 7.130 1.00 0.00 ATOM 831 CA GLU A 102 34.629 -4.367 7.869 1.00 0.00 ATOM 832 CB GLU A 102 34.754 -5.692 7.114 1.00 0.00 ATOM 833 CG GLU A 102 35.472 -6.784 7.888 1.00 0.00 ATOM 834 CD GLU A 102 35.532 -8.096 7.128 1.00 0.00 ATOM 835 OE1 GLU A 102 35.010 -8.149 5.996 1.00 0.00 ATOM 836 OE2 GLU A 102 36.102 -9.066 7.668 1.00 0.00 ATOM 837 O GLU A 102 36.551 -3.173 7.069 1.00 0.00 ATOM 838 C GLU A 102 35.999 -3.702 8.034 1.00 0.00 ATOM 839 N VAL A 103 36.521 -3.691 9.257 1.00 0.00 ATOM 840 CA VAL A 103 37.823 -3.074 9.511 1.00 0.00 ATOM 841 CB VAL A 103 38.036 -2.785 11.015 1.00 0.00 ATOM 842 CG1 VAL A 103 39.324 -1.978 11.221 1.00 0.00 ATOM 843 CG2 VAL A 103 36.844 -2.022 11.574 1.00 0.00 ATOM 844 O VAL A 103 39.273 -4.970 9.672 1.00 0.00 ATOM 845 C VAL A 103 38.953 -3.971 9.029 1.00 0.00 ATOM 846 N LEU A 104 39.606 -3.578 7.938 1.00 0.00 ATOM 847 CA LEU A 104 40.702 -4.376 7.392 1.00 0.00 ATOM 848 CB LEU A 104 40.913 -3.999 5.917 1.00 0.00 ATOM 849 CG LEU A 104 39.772 -4.404 4.981 1.00 0.00 ATOM 850 CD1 LEU A 104 40.028 -3.811 3.598 1.00 0.00 ATOM 851 CD2 LEU A 104 39.605 -5.916 4.880 1.00 0.00 ATOM 852 O LEU A 104 42.653 -5.142 8.556 1.00 0.00 ATOM 853 C LEU A 104 41.989 -4.175 8.183 1.00 0.00 ATOM 854 N ALA A 105 42.287 -2.921 8.505 1.00 0.00 ATOM 855 CA ALA A 105 43.463 -2.579 9.291 1.00 0.00 ATOM 856 CB ALA A 105 44.711 -2.696 8.406 1.00 0.00 ATOM 857 O ALA A 105 42.476 -0.389 9.414 1.00 0.00 ATOM 858 C ALA A 105 43.378 -1.143 9.791 1.00 0.00 ATOM 859 N ALA A 106 44.268 -0.782 10.709 1.00 0.00 ATOM 860 CA ALA A 106 44.286 0.569 11.251 1.00 0.00 ATOM 861 CB ALA A 106 43.494 0.655 12.548 1.00 0.00 ATOM 862 O ALA A 106 46.607 0.104 11.628 1.00 0.00 ATOM 863 C ALA A 106 45.729 0.963 11.495 1.00 0.00 ATOM 864 N SER A 107 45.975 2.261 11.549 1.00 0.00 ATOM 865 CA SER A 107 47.327 2.739 11.751 1.00 0.00 ATOM 866 CB SER A 107 48.034 2.986 10.417 1.00 0.00 ATOM 867 OG SER A 107 47.425 4.054 9.710 1.00 0.00 ATOM 868 O SER A 107 46.442 4.822 12.542 1.00 0.00 ATOM 869 C SER A 107 47.395 4.046 12.518 1.00 0.00 ATOM 870 N GLU A 108 48.523 4.245 13.189 1.00 0.00 ATOM 871 CA GLU A 108 48.796 5.481 13.904 1.00 0.00 ATOM 872 CB GLU A 108 48.871 5.216 15.397 1.00 0.00 ATOM 873 CG GLU A 108 47.578 4.619 15.930 1.00 0.00 ATOM 874 CD GLU A 108 47.582 4.427 17.431 1.00 0.00 ATOM 875 OE1 GLU A 108 48.630 4.027 17.985 1.00 0.00 ATOM 876 OE2 GLU A 108 46.526 4.663 18.058 1.00 0.00 ATOM 877 O GLU A 108 51.094 5.224 13.272 1.00 0.00 ATOM 878 C GLU A 108 50.092 5.945 13.262 1.00 0.00 ATOM 879 N GLN A 109 50.066 7.142 12.691 1.00 0.00 ATOM 880 CA GLN A 109 51.229 7.659 11.991 1.00 0.00 ATOM 881 CB GLN A 109 50.893 7.902 10.519 1.00 0.00 ATOM 882 CG GLN A 109 50.611 6.632 9.732 1.00 0.00 ATOM 883 CD GLN A 109 50.343 6.905 8.265 1.00 0.00 ATOM 884 OE1 GLN A 109 50.386 8.052 7.817 1.00 0.00 ATOM 885 NE2 GLN A 109 50.064 5.850 7.508 1.00 0.00 ATOM 886 O GLN A 109 51.003 9.937 12.705 1.00 0.00 ATOM 887 C GLN A 109 51.749 8.966 12.566 1.00 0.00 ATOM 888 N MET A 110 53.031 8.976 12.920 1.00 0.00 ATOM 889 CA MET A 110 53.655 10.185 13.433 1.00 0.00 ATOM 890 CB MET A 110 54.702 9.852 14.491 1.00 0.00 ATOM 891 CG MET A 110 55.494 11.074 14.957 1.00 0.00 ATOM 892 SD MET A 110 56.767 10.706 16.172 1.00 0.00 ATOM 893 CE MET A 110 55.777 10.666 17.678 1.00 0.00 ATOM 894 O MET A 110 55.210 10.181 11.611 1.00 0.00 ATOM 895 C MET A 110 54.336 10.800 12.216 1.00 0.00 ATOM 896 N LEU A 111 53.937 12.021 11.874 1.00 0.00 ATOM 897 CA LEU A 111 54.487 12.720 10.721 1.00 0.00 ATOM 898 CB LEU A 111 53.390 13.102 9.726 1.00 0.00 ATOM 899 CG LEU A 111 52.592 11.946 9.119 1.00 0.00 ATOM 900 CD1 LEU A 111 51.484 12.473 8.220 1.00 0.00 ATOM 901 CD2 LEU A 111 53.491 11.045 8.288 1.00 0.00 ATOM 902 O LEU A 111 54.771 14.636 12.133 1.00 0.00 ATOM 903 C LEU A 111 55.218 13.964 11.204 1.00 0.00 ATOM 904 N LEU A 112 56.389 14.212 10.631 1.00 0.00 ATOM 905 CA LEU A 112 57.186 15.368 11.014 1.00 0.00 ATOM 906 CB LEU A 112 58.564 14.911 11.472 1.00 0.00 ATOM 907 CG LEU A 112 59.557 15.989 11.925 1.00 0.00 ATOM 908 CD1 LEU A 112 59.038 16.714 13.149 1.00 0.00 ATOM 909 CD2 LEU A 112 60.899 15.343 12.217 1.00 0.00 ATOM 910 O LEU A 112 57.730 15.731 8.684 1.00 0.00 ATOM 911 C LEU A 112 57.353 16.245 9.759 1.00 0.00 ATOM 912 N HIS A 113 57.126 17.547 9.940 1.00 0.00 ATOM 913 CA HIS A 113 57.361 18.487 8.874 1.00 0.00 ATOM 914 CB HIS A 113 56.595 19.808 9.220 1.00 0.00 ATOM 915 CG HIS A 113 56.485 20.781 8.088 1.00 0.00 ATOM 916 CD2 HIS A 113 56.200 20.620 6.777 1.00 0.00 ATOM 917 ND1 HIS A 113 56.675 22.129 8.279 1.00 0.00 ATOM 918 CE1 HIS A 113 56.522 22.754 7.123 1.00 0.00 ATOM 919 NE2 HIS A 113 56.242 21.864 6.197 1.00 0.00 ATOM 920 O HIS A 113 59.511 18.927 9.838 1.00 0.00 ATOM 921 C HIS A 113 58.861 18.736 8.812 1.00 0.00 ATOM 922 N VAL A 114 59.379 18.770 7.579 1.00 0.00 ATOM 923 CA VAL A 114 60.805 18.989 7.374 1.00 0.00 ATOM 924 CB VAL A 114 61.553 17.659 7.174 1.00 0.00 ATOM 925 CG1 VAL A 114 61.410 16.777 8.406 1.00 0.00 ATOM 926 CG2 VAL A 114 60.995 16.906 5.976 1.00 0.00 ATOM 927 O VAL A 114 60.296 20.199 5.360 1.00 0.00 ATOM 928 C VAL A 114 61.152 19.854 6.178 1.00 0.00 ATOM 929 N ASP A 115 62.397 20.318 6.177 1.00 0.00 ATOM 930 CA ASP A 115 62.944 21.086 5.077 1.00 0.00 ATOM 931 CB ASP A 115 64.111 21.921 5.578 1.00 0.00 ATOM 932 CG ASP A 115 64.708 22.706 4.410 1.00 0.00 ATOM 933 OD1 ASP A 115 64.494 22.345 3.223 1.00 0.00 ATOM 934 OD2 ASP A 115 65.412 23.717 4.734 1.00 0.00 ATOM 935 O ASP A 115 64.473 19.283 4.681 1.00 0.00 ATOM 936 C ASP A 115 63.534 19.945 4.249 1.00 0.00 ATOM 937 N LEU A 116 62.962 19.679 3.063 1.00 0.00 ATOM 938 CA LEU A 116 63.401 18.611 2.160 1.00 0.00 ATOM 939 CB LEU A 116 62.355 18.690 0.934 1.00 0.00 ATOM 940 CG LEU A 116 62.356 17.532 -0.049 1.00 0.00 ATOM 941 CD1 LEU A 116 62.106 16.191 0.640 1.00 0.00 ATOM 942 CD2 LEU A 116 61.293 17.793 -1.101 1.00 0.00 ATOM 943 O LEU A 116 65.431 17.518 1.515 1.00 0.00 ATOM 944 C LEU A 116 64.869 18.588 1.745 1.00 0.00 ATOM 945 N ALA A 117 65.474 19.764 1.602 1.00 0.00 ATOM 946 CA ALA A 117 66.868 19.845 1.180 1.00 0.00 ATOM 947 CB ALA A 117 67.217 21.275 0.813 1.00 0.00 ATOM 948 O ALA A 117 68.881 18.772 1.901 1.00 0.00 ATOM 949 C ALA A 117 67.847 19.354 2.234 1.00 0.00 ATOM 950 N GLY A 118 67.529 19.584 3.504 1.00 0.00 ATOM 951 CA GLY A 118 68.397 19.151 4.587 1.00 0.00 ATOM 952 O GLY A 118 68.246 17.644 6.448 1.00 0.00 ATOM 953 C GLY A 118 67.767 18.007 5.372 1.00 0.00 ATOM 954 N PRO A 119 66.593 17.401 4.936 1.00 0.00 ATOM 955 CA PRO A 119 65.880 16.352 5.652 1.00 0.00 ATOM 956 CB PRO A 119 65.989 15.140 4.890 1.00 0.00 ATOM 957 CG PRO A 119 67.285 15.292 4.145 1.00 0.00 ATOM 958 CD PRO A 119 67.235 16.742 3.683 1.00 0.00 ATOM 959 O PRO A 119 66.343 15.747 7.931 1.00 0.00 ATOM 960 C PRO A 119 66.024 16.637 7.145 1.00 0.00 ATOM 961 N GLN A 120 65.775 17.886 7.532 1.00 0.00 ATOM 962 CA GLN A 120 65.859 18.277 8.934 1.00 0.00 ATOM 963 CB GLN A 120 66.934 19.336 9.176 1.00 0.00 ATOM 964 CG GLN A 120 68.355 18.847 8.926 1.00 0.00 ATOM 965 CD GLN A 120 69.390 19.931 9.146 1.00 0.00 ATOM 966 OE1 GLN A 120 69.058 21.057 9.516 1.00 0.00 ATOM 967 NE2 GLN A 120 70.656 19.592 8.918 1.00 0.00 ATOM 968 O GLN A 120 63.868 19.559 8.539 1.00 0.00 ATOM 969 C GLN A 120 64.495 18.841 9.317 1.00 0.00 ATOM 970 N SER A 121 63.989 18.474 10.506 1.00 0.00 ATOM 971 CA SER A 121 62.689 18.952 10.971 1.00 0.00 ATOM 972 CB SER A 121 62.429 18.491 12.409 1.00 0.00 ATOM 973 OG SER A 121 63.344 19.094 13.309 1.00 0.00 ATOM 974 O SER A 121 63.486 21.199 11.194 1.00 0.00 ATOM 975 C SER A 121 62.534 20.467 10.964 1.00 0.00 ATOM 976 N ALA A 122 61.350 20.936 10.709 1.00 0.00 ATOM 977 CA ALA A 122 60.981 22.332 10.735 1.00 0.00 ATOM 978 CB ALA A 122 61.084 22.914 9.334 1.00 0.00 ATOM 979 O ALA A 122 58.727 21.595 11.145 1.00 0.00 ATOM 980 C ALA A 122 59.556 22.503 11.263 1.00 0.00 ATOM 981 N PRO A 123 59.289 23.655 11.845 1.00 0.00 ATOM 982 CA PRO A 123 57.940 23.886 12.369 1.00 0.00 ATOM 983 CB PRO A 123 58.019 25.306 12.923 1.00 0.00 ATOM 984 CG PRO A 123 59.454 25.430 13.348 1.00 0.00 ATOM 985 CD PRO A 123 60.195 24.761 12.205 1.00 0.00 ATOM 986 O PRO A 123 57.157 23.982 10.099 1.00 0.00 ATOM 987 C PRO A 123 56.890 23.724 11.271 1.00 0.00 ATOM 988 N PHE A 124 55.709 23.254 11.644 1.00 0.00 ATOM 989 CA PHE A 124 54.624 23.098 10.693 1.00 0.00 ATOM 990 CB PHE A 124 53.446 23.007 11.564 1.00 0.00 ATOM 991 CG PHE A 124 53.039 21.641 11.222 1.00 0.00 ATOM 992 CD1 PHE A 124 52.356 21.389 10.018 1.00 0.00 ATOM 993 CD2 PHE A 124 53.405 20.563 12.034 1.00 0.00 ATOM 994 CE1 PHE A 124 52.049 20.071 9.627 1.00 0.00 ATOM 995 CE2 PHE A 124 53.106 19.272 11.650 1.00 0.00 ATOM 996 CZ PHE A 124 52.436 19.007 10.449 1.00 0.00 ATOM 997 O PHE A 124 54.186 25.438 10.973 1.00 0.00 ATOM 998 C PHE A 124 54.220 24.481 10.198 1.00 0.00 ATOM 999 N GLY A 125 53.973 24.626 8.891 1.00 0.00 ATOM 1000 CA GLY A 125 53.586 25.943 8.374 1.00 0.00 ATOM 1001 O GLY A 125 51.442 25.607 9.397 1.00 0.00 ATOM 1002 C GLY A 125 52.324 26.411 9.093 1.00 0.00 ATOM 1003 N HIS A 126 52.229 27.710 9.355 1.00 0.00 ATOM 1004 CA HIS A 126 51.058 28.245 10.036 1.00 0.00 ATOM 1005 CB HIS A 126 51.123 29.673 10.305 1.00 0.00 ATOM 1006 CG HIS A 126 52.442 30.098 10.859 1.00 0.00 ATOM 1007 CD2 HIS A 126 52.786 30.549 12.087 1.00 0.00 ATOM 1008 ND1 HIS A 126 53.595 30.120 10.105 1.00 0.00 ATOM 1009 CE1 HIS A 126 54.593 30.571 10.845 1.00 0.00 ATOM 1010 NE2 HIS A 126 54.128 30.840 12.052 1.00 0.00 ATOM 1011 O HIS A 126 48.719 27.829 9.699 1.00 0.00 ATOM 1012 C HIS A 126 49.814 28.052 9.177 1.00 0.00 ATOM 1013 N THR A 127 49.996 28.204 7.871 1.00 0.00 ATOM 1014 CA THR A 127 48.897 28.048 6.948 1.00 0.00 ATOM 1015 CB THR A 127 49.373 28.311 5.526 1.00 0.00 ATOM 1016 CG2 THR A 127 48.229 28.166 4.546 1.00 0.00 ATOM 1017 OG1 THR A 127 49.893 29.642 5.460 1.00 0.00 ATOM 1018 O THR A 127 47.144 26.418 7.049 1.00 0.00 ATOM 1019 C THR A 127 48.351 26.624 7.055 1.00 0.00 ATOM 1020 N THR A 128 49.215 25.645 7.168 1.00 0.00 ATOM 1021 CA THR A 128 48.830 24.238 7.277 1.00 0.00 ATOM 1022 CB THR A 128 50.091 23.330 7.229 1.00 0.00 ATOM 1023 CG2 THR A 128 49.717 21.846 7.344 1.00 0.00 ATOM 1024 OG1 THR A 128 50.767 23.563 5.985 1.00 0.00 ATOM 1025 O THR A 128 46.979 23.420 8.569 1.00 0.00 ATOM 1026 C THR A 128 48.055 24.031 8.579 1.00 0.00 ATOM 1027 N VAL A 129 48.537 24.582 9.674 1.00 0.00 ATOM 1028 CA VAL A 129 47.836 24.463 10.959 1.00 0.00 ATOM 1029 CB VAL A 129 48.746 24.923 12.091 1.00 0.00 ATOM 1030 CG1 VAL A 129 49.197 26.368 12.024 1.00 0.00 ATOM 1031 CG2 VAL A 129 48.109 24.570 13.412 1.00 0.00 ATOM 1032 O VAL A 129 45.500 24.638 11.489 1.00 0.00 ATOM 1033 C VAL A 129 46.468 25.143 10.916 1.00 0.00 ATOM 1034 N CYS A 130 46.391 26.233 10.191 1.00 0.00 ATOM 1035 CA CYS A 130 45.128 26.955 10.083 1.00 0.00 ATOM 1036 CB CYS A 130 45.256 28.323 9.520 1.00 0.00 ATOM 1037 SG CYS A 130 46.102 29.477 10.638 1.00 0.00 ATOM 1038 O CYS A 130 42.909 26.153 9.672 1.00 0.00 ATOM 1039 C CYS A 130 44.088 26.203 9.292 1.00 0.00 ATOM 1040 N ARG A 131 44.537 25.611 8.183 1.00 0.00 ATOM 1041 CA ARG A 131 43.618 24.831 7.313 1.00 0.00 ATOM 1042 CB ARG A 131 44.297 24.381 6.026 1.00 0.00 ATOM 1043 CG ARG A 131 44.491 25.527 5.044 1.00 0.00 ATOM 1044 CD ARG A 131 45.498 25.212 3.963 1.00 0.00 ATOM 1045 NE ARG A 131 45.568 26.300 2.986 1.00 0.00 ATOM 1046 CZ ARG A 131 46.300 26.270 1.875 1.00 0.00 ATOM 1047 NH1 ARG A 131 47.036 25.203 1.587 1.00 0.00 ATOM 1048 NH2 ARG A 131 46.290 27.307 1.050 1.00 0.00 ATOM 1049 O ARG A 131 41.932 23.316 8.068 1.00 0.00 ATOM 1050 C ARG A 131 43.109 23.645 8.121 1.00 0.00 ATOM 1051 N LEU A 132 43.977 23.075 8.843 1.00 0.00 ATOM 1052 CA LEU A 132 43.588 21.914 9.637 1.00 0.00 ATOM 1053 CB LEU A 132 44.663 21.237 10.360 1.00 0.00 ATOM 1054 CG LEU A 132 45.724 20.673 9.404 1.00 0.00 ATOM 1055 CD1 LEU A 132 46.900 20.102 10.179 1.00 0.00 ATOM 1056 CD2 LEU A 132 45.112 19.622 8.480 1.00 0.00 ATOM 1057 O LEU A 132 41.447 21.819 10.731 1.00 0.00 ATOM 1058 C LEU A 132 42.565 22.336 10.694 1.00 0.00 ATOM 1059 N ASN A 133 42.915 23.459 11.395 1.00 0.00 ATOM 1060 CA ASN A 133 42.054 23.987 12.457 1.00 0.00 ATOM 1061 CB ASN A 133 42.723 25.210 13.121 1.00 0.00 ATOM 1062 CG ASN A 133 43.961 24.843 13.858 1.00 0.00 ATOM 1063 ND2 ASN A 133 44.663 25.862 14.358 1.00 0.00 ATOM 1064 OD1 ASN A 133 44.296 23.671 14.000 1.00 0.00 ATOM 1065 O ASN A 133 39.668 24.199 12.686 1.00 0.00 ATOM 1066 C ASN A 133 40.658 24.385 11.976 1.00 0.00 ATOM 1067 N HIS A 134 40.591 24.943 10.769 1.00 0.00 ATOM 1068 CA HIS A 134 39.321 25.386 10.186 1.00 0.00 ATOM 1069 CB HIS A 134 39.573 26.690 9.320 1.00 0.00 ATOM 1070 CG HIS A 134 40.003 27.874 10.141 1.00 0.00 ATOM 1071 CD2 HIS A 134 41.251 28.203 10.571 1.00 0.00 ATOM 1072 ND1 HIS A 134 39.219 28.866 10.638 1.00 0.00 ATOM 1073 CE1 HIS A 134 39.900 29.775 11.325 1.00 0.00 ATOM 1074 NE2 HIS A 134 41.160 29.378 11.290 1.00 0.00 ATOM 1075 O HIS A 134 37.316 24.365 9.374 1.00 0.00 ATOM 1076 C HIS A 134 38.482 24.207 9.736 1.00 0.00 ATOM 1077 N LEU A 135 39.050 23.018 9.724 1.00 0.00 ATOM 1078 CA LEU A 135 38.304 21.821 9.330 1.00 0.00 ATOM 1079 CB LEU A 135 39.132 21.014 8.336 1.00 0.00 ATOM 1080 CG LEU A 135 39.629 21.779 7.109 1.00 0.00 ATOM 1081 CD1 LEU A 135 40.631 20.935 6.310 1.00 0.00 ATOM 1082 CD2 LEU A 135 38.455 22.215 6.217 1.00 0.00 ATOM 1083 O LEU A 135 37.363 19.838 10.273 1.00 0.00 ATOM 1084 C LEU A 135 37.947 20.901 10.488 1.00 0.00 ATOM 1085 N VAL A 136 38.372 21.252 11.692 1.00 0.00 ATOM 1086 CA VAL A 136 38.294 20.331 12.811 1.00 0.00 ATOM 1087 CB VAL A 136 39.639 20.331 13.524 1.00 0.00 ATOM 1088 CG1 VAL A 136 39.601 19.337 14.640 1.00 0.00 ATOM 1089 CG2 VAL A 136 40.731 19.970 12.603 1.00 0.00 ATOM 1090 O VAL A 136 37.342 22.011 14.225 1.00 0.00 ATOM 1091 C VAL A 136 37.297 20.841 13.841 1.00 0.00 ATOM 1092 N GLU A 137 36.410 19.931 14.227 1.00 0.00 ATOM 1093 CA GLU A 137 35.364 20.332 15.168 1.00 0.00 ATOM 1094 CB GLU A 137 34.360 19.213 15.343 1.00 0.00 ATOM 1095 CG GLU A 137 33.201 19.575 16.246 1.00 0.00 ATOM 1096 CD GLU A 137 32.168 18.471 16.397 1.00 0.00 ATOM 1097 OE1 GLU A 137 32.394 17.362 15.851 1.00 0.00 ATOM 1098 OE2 GLU A 137 31.160 18.730 17.050 1.00 0.00 ATOM 1099 O GLU A 137 35.536 21.711 17.126 1.00 0.00 ATOM 1100 C GLU A 137 35.981 20.751 16.498 1.00 0.00 ATOM 1101 N GLN A 138 37.025 20.053 16.940 1.00 0.00 ATOM 1102 CA GLN A 138 37.713 20.353 18.188 1.00 0.00 ATOM 1103 CB GLN A 138 38.737 19.278 18.560 1.00 0.00 ATOM 1104 CG GLN A 138 39.308 19.457 19.962 1.00 0.00 ATOM 1105 CD GLN A 138 38.328 19.050 21.052 1.00 0.00 ATOM 1106 OE1 GLN A 138 38.080 17.861 21.278 1.00 0.00 ATOM 1107 NE2 GLN A 138 37.794 20.068 21.730 1.00 0.00 ATOM 1108 O GLN A 138 38.465 22.345 19.201 1.00 0.00 ATOM 1109 C GLN A 138 38.354 21.717 18.147 1.00 0.00 ATOM 1110 N GLN A 139 38.901 22.127 17.009 1.00 0.00 ATOM 1111 CA GLN A 139 39.514 23.453 16.886 1.00 0.00 ATOM 1112 CB GLN A 139 40.266 23.611 15.553 1.00 0.00 ATOM 1113 CG GLN A 139 41.715 23.169 15.552 1.00 0.00 ATOM 1114 CD GLN A 139 42.503 23.754 16.709 1.00 0.00 ATOM 1115 OE1 GLN A 139 43.023 24.869 16.663 1.00 0.00 ATOM 1116 NE2 GLN A 139 42.585 22.967 17.776 1.00 0.00 ATOM 1117 O GLN A 139 38.709 25.523 17.839 1.00 0.00 ATOM 1118 C GLN A 139 38.467 24.540 17.117 1.00 0.00 ATOM 1119 N GLU A 140 37.273 24.370 16.530 1.00 0.00 ATOM 1120 CA GLU A 140 36.210 25.354 16.728 1.00 0.00 ATOM 1121 CB GLU A 140 34.956 25.029 15.935 1.00 0.00 ATOM 1122 CG GLU A 140 35.123 25.281 14.433 1.00 0.00 ATOM 1123 CD GLU A 140 33.900 24.914 13.593 1.00 0.00 ATOM 1124 OE1 GLU A 140 33.036 24.145 14.069 1.00 0.00 ATOM 1125 OE2 GLU A 140 33.830 25.395 12.437 1.00 0.00 ATOM 1126 O GLU A 140 35.482 26.489 18.726 1.00 0.00 ATOM 1127 C GLU A 140 35.753 25.400 18.210 1.00 0.00 ATOM 1128 N GLY A 141 35.694 24.261 18.857 1.00 0.00 ATOM 1129 CA GLY A 141 35.309 24.201 20.255 1.00 0.00 ATOM 1130 O GLY A 141 36.288 24.263 22.434 1.00 0.00 ATOM 1131 C GLY A 141 36.482 24.230 21.219 1.00 0.00 ATOM 1132 N ALA A 142 37.783 24.127 20.794 1.00 0.00 ATOM 1133 CA ALA A 142 38.984 24.174 21.612 1.00 0.00 ATOM 1134 CB ALA A 142 39.501 22.771 21.847 1.00 0.00 ATOM 1135 O ALA A 142 40.241 24.931 19.718 1.00 0.00 ATOM 1136 C ALA A 142 40.010 25.067 20.921 1.00 0.00 ATOM 1137 N GLN A 143 40.596 26.000 21.660 1.00 0.00 ATOM 1138 CA GLN A 143 41.582 26.887 21.054 1.00 0.00 ATOM 1139 CB GLN A 143 42.241 27.784 22.082 1.00 0.00 ATOM 1140 CG GLN A 143 41.198 28.631 22.773 1.00 0.00 ATOM 1141 CD GLN A 143 41.812 29.533 23.801 1.00 0.00 ATOM 1142 OE1 GLN A 143 42.778 29.144 24.478 1.00 0.00 ATOM 1143 NE2 GLN A 143 41.260 30.743 23.942 1.00 0.00 ATOM 1144 O GLN A 143 42.784 24.823 20.937 1.00 0.00 ATOM 1145 C GLN A 143 42.722 25.998 20.582 1.00 0.00 ATOM 1146 N ALA A 144 43.668 26.554 19.834 1.00 0.00 ATOM 1147 CA ALA A 144 44.775 25.789 19.270 1.00 0.00 ATOM 1148 CB ALA A 144 45.590 26.681 18.332 1.00 0.00 ATOM 1149 O ALA A 144 46.014 24.022 20.350 1.00 0.00 ATOM 1150 C ALA A 144 45.715 25.219 20.365 1.00 0.00 ATOM 1151 N PRO A 145 46.254 26.039 21.271 1.00 0.00 ATOM 1152 CA PRO A 145 47.139 25.494 22.303 1.00 0.00 ATOM 1153 CB PRO A 145 47.523 26.723 23.140 1.00 0.00 ATOM 1154 CG PRO A 145 47.173 27.890 22.327 1.00 0.00 ATOM 1155 CD PRO A 145 46.050 27.494 21.422 1.00 0.00 ATOM 1156 O PRO A 145 47.110 23.493 23.605 1.00 0.00 ATOM 1157 C PRO A 145 46.453 24.425 23.149 1.00 0.00 ATOM 1158 N GLN A 146 45.106 24.547 23.309 1.00 0.00 ATOM 1159 CA GLN A 146 44.358 23.571 24.108 1.00 0.00 ATOM 1160 CB GLN A 146 42.937 24.107 24.288 1.00 0.00 ATOM 1161 CG GLN A 146 42.838 25.312 25.210 1.00 0.00 ATOM 1162 CD GLN A 146 41.436 25.881 25.274 1.00 0.00 ATOM 1163 OE1 GLN A 146 40.538 25.434 24.561 1.00 0.00 ATOM 1164 NE2 GLN A 146 41.242 26.875 26.137 1.00 0.00 ATOM 1165 O GLN A 146 44.599 21.169 24.063 1.00 0.00 ATOM 1166 C GLN A 146 44.334 22.183 23.442 1.00 0.00 ATOM 1167 N TYR A 147 44.081 22.204 22.156 1.00 0.00 ATOM 1168 CA TYR A 147 44.094 20.953 21.366 1.00 0.00 ATOM 1169 CB TYR A 147 43.757 21.259 19.894 1.00 0.00 ATOM 1170 CG TYR A 147 44.054 20.169 18.908 1.00 0.00 ATOM 1171 CD1 TYR A 147 43.180 19.117 18.694 1.00 0.00 ATOM 1172 CD2 TYR A 147 45.240 20.211 18.171 1.00 0.00 ATOM 1173 CE1 TYR A 147 43.457 18.108 17.787 1.00 0.00 ATOM 1174 CE2 TYR A 147 45.519 19.215 17.248 1.00 0.00 ATOM 1175 CZ TYR A 147 44.628 18.188 17.049 1.00 0.00 ATOM 1176 OH TYR A 147 44.897 17.213 16.119 1.00 0.00 ATOM 1177 O TYR A 147 45.546 19.066 21.627 1.00 0.00 ATOM 1178 C TYR A 147 45.481 20.300 21.404 1.00 0.00 ATOM 1179 N MET A 148 46.518 21.073 21.186 1.00 0.00 ATOM 1180 CA MET A 148 47.868 20.602 21.116 1.00 0.00 ATOM 1181 CB MET A 148 48.877 21.654 20.760 1.00 0.00 ATOM 1182 CG MET A 148 48.704 22.085 19.316 1.00 0.00 ATOM 1183 SD MET A 148 49.606 23.614 18.962 1.00 0.00 ATOM 1184 CE MET A 148 51.292 22.996 18.913 1.00 0.00 ATOM 1185 O MET A 148 48.858 18.975 22.587 1.00 0.00 ATOM 1186 C MET A 148 48.266 20.052 22.485 1.00 0.00 ATOM 1187 N GLY A 149 47.949 20.791 23.558 1.00 0.00 ATOM 1188 CA GLY A 149 48.295 20.329 24.887 1.00 0.00 ATOM 1189 O GLY A 149 48.199 18.209 25.875 1.00 0.00 ATOM 1190 C GLY A 149 47.565 19.079 25.293 1.00 0.00 ATOM 1191 N ARG A 150 46.315 18.945 24.895 1.00 0.00 ATOM 1192 CA ARG A 150 45.534 17.703 25.135 1.00 0.00 ATOM 1193 CB ARG A 150 44.131 17.881 24.696 1.00 0.00 ATOM 1194 CG ARG A 150 43.360 16.624 24.701 1.00 0.00 ATOM 1195 CD ARG A 150 41.919 16.884 24.400 1.00 0.00 ATOM 1196 NE ARG A 150 41.173 15.629 24.498 1.00 0.00 ATOM 1197 CZ ARG A 150 41.241 14.804 25.537 1.00 0.00 ATOM 1198 NH1 ARG A 150 42.032 15.095 26.571 1.00 0.00 ATOM 1199 NH2 ARG A 150 40.503 13.704 25.557 1.00 0.00 ATOM 1200 O ARG A 150 46.319 15.424 24.931 1.00 0.00 ATOM 1201 C ARG A 150 46.142 16.511 24.397 1.00 0.00 ATOM 1202 N THR A 151 46.554 16.759 23.157 1.00 0.00 ATOM 1203 CA THR A 151 47.153 15.705 22.349 1.00 0.00 ATOM 1204 CB THR A 151 47.274 16.045 20.869 1.00 0.00 ATOM 1205 CG2 THR A 151 45.968 16.588 20.329 1.00 0.00 ATOM 1206 OG1 THR A 151 48.197 17.123 20.680 1.00 0.00 ATOM 1207 O THR A 151 48.892 14.161 22.930 1.00 0.00 ATOM 1208 C THR A 151 48.523 15.336 22.912 1.00 0.00 ATOM 1209 N ILE A 152 49.265 16.302 23.412 1.00 0.00 ATOM 1210 CA ILE A 152 50.598 16.048 23.955 1.00 0.00 ATOM 1211 CB ILE A 152 51.425 17.344 24.126 1.00 0.00 ATOM 1212 CG1 ILE A 152 51.641 18.053 22.780 1.00 0.00 ATOM 1213 CG2 ILE A 152 52.780 17.046 24.790 1.00 0.00 ATOM 1214 CD1 ILE A 152 52.266 17.226 21.666 1.00 0.00 ATOM 1215 O ILE A 152 51.139 14.306 25.509 1.00 0.00 ATOM 1216 C ILE A 152 50.459 15.311 25.275 1.00 0.00 ATOM 1217 N LYS A 153 49.544 15.762 26.126 1.00 0.00 ATOM 1218 CA LYS A 153 49.290 15.014 27.355 1.00 0.00 ATOM 1219 CB LYS A 153 48.317 15.744 28.282 1.00 0.00 ATOM 1220 CG LYS A 153 48.899 17.028 28.880 1.00 0.00 ATOM 1221 CD LYS A 153 47.861 17.847 29.628 1.00 0.00 ATOM 1222 CE LYS A 153 48.567 19.018 30.314 1.00 0.00 ATOM 1223 NZ LYS A 153 47.582 19.843 31.088 1.00 0.00 ATOM 1224 O LYS A 153 49.141 12.699 27.867 1.00 0.00 ATOM 1225 C LYS A 153 48.827 13.579 27.079 1.00 0.00 ATOM 1226 N LEU A 154 48.113 13.370 25.964 1.00 0.00 ATOM 1227 CA LEU A 154 47.744 12.048 25.504 1.00 0.00 ATOM 1228 CB LEU A 154 46.269 11.973 25.072 1.00 0.00 ATOM 1229 CG LEU A 154 45.208 12.015 26.177 1.00 0.00 ATOM 1230 CD1 LEU A 154 43.824 12.340 25.628 1.00 0.00 ATOM 1231 CD2 LEU A 154 45.158 10.687 26.926 1.00 0.00 ATOM 1232 O LEU A 154 48.960 12.464 23.496 1.00 0.00 ATOM 1233 C LEU A 154 48.627 11.636 24.332 1.00 0.00 ATOM 1234 N PRO A 155 48.984 10.330 24.325 1.00 0.00 ATOM 1235 CA PRO A 155 49.833 9.838 23.233 1.00 0.00 ATOM 1236 CB PRO A 155 49.920 8.326 23.571 1.00 0.00 ATOM 1237 CG PRO A 155 49.762 8.290 25.104 1.00 0.00 ATOM 1238 CD PRO A 155 48.797 9.433 25.450 1.00 0.00 ATOM 1239 O PRO A 155 50.041 10.415 20.896 1.00 0.00 ATOM 1240 C PRO A 155 49.278 10.119 21.825 1.00 0.00 ATOM 1241 N ALA A 156 47.959 10.036 21.664 1.00 0.00 ATOM 1242 CA ALA A 156 47.336 10.302 20.362 1.00 0.00 ATOM 1243 CB ALA A 156 45.846 9.994 20.414 1.00 0.00 ATOM 1244 O ALA A 156 47.686 12.091 18.793 1.00 0.00 ATOM 1245 C ALA A 156 47.550 11.760 19.972 1.00 0.00 ENDMDL EXPDTA 2hljA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hljA ATOM 1 N MET 1 27.564 14.973 11.852 1.00 0.00 ATOM 2 CA MET 1 28.287 15.019 10.594 1.00 0.00 ATOM 3 CB MET 1 29.056 16.325 10.443 1.00 0.00 ATOM 4 CG MET 1 28.123 17.540 10.175 1.00 0.00 ATOM 5 SD MET 1 26.825 17.255 8.688 1.00 0.00 ATOM 6 CE MET 1 25.243 16.487 9.701 1.00 0.00 ATOM 7 O MET 1 29.699 13.238 11.299 1.00 0.00 ATOM 8 C MET 1 29.152 13.790 10.358 1.00 0.00 ATOM 9 N PRO 2 29.204 13.317 9.097 1.00 0.00 ATOM 10 CA PRO 2 29.934 12.105 8.755 1.00 0.00 ATOM 11 CB PRO 2 29.689 11.980 7.239 1.00 0.00 ATOM 12 CG PRO 2 28.385 12.718 7.021 1.00 0.00 ATOM 13 CD PRO 2 28.526 13.885 7.912 1.00 0.00 ATOM 14 O PRO 2 31.929 13.342 9.080 1.00 0.00 ATOM 15 C PRO 2 31.423 12.236 9.030 1.00 0.00 ATOM 16 N ALA 3 32.112 11.104 9.168 1.00 0.00 ATOM 17 CA ALA 3 33.555 11.068 9.283 1.00 0.00 ATOM 18 CB ALA 3 33.990 9.653 9.409 1.00 0.00 ATOM 19 O ALA 3 33.773 11.699 6.966 1.00 0.00 ATOM 20 C ALA 3 34.279 11.687 8.083 1.00 0.00 ATOM 21 N LEU 4 35.502 12.155 8.321 1.00 0.00 ATOM 22 CA LEU 4 36.349 12.633 7.253 1.00 0.00 ATOM 23 CB LEU 4 37.523 13.441 7.833 1.00 0.00 ATOM 24 CG LEU 4 38.503 14.032 6.803 1.00 0.00 ATOM 25 CD1 LEU 4 37.841 15.085 5.883 1.00 0.00 ATOM 26 CD2 LEU 4 39.697 14.632 7.492 1.00 0.00 ATOM 27 O LEU 4 37.601 10.621 6.921 1.00 0.00 ATOM 28 C LEU 4 36.881 11.463 6.407 1.00 0.00 ATOM 29 N ILE 5 36.525 11.443 5.119 1.00 0.00 ATOM 30 CA ILE 5 37.101 10.525 4.131 1.00 0.00 ATOM 31 CB ILE 5 36.010 9.911 3.223 1.00 0.00 ATOM 32 CG1 ILE 5 35.056 9.081 4.068 1.00 0.00 ATOM 33 CG2 ILE 5 36.618 9.035 2.131 1.00 0.00 ATOM 34 CD1 ILE 5 33.861 8.575 3.344 1.00 0.00 ATOM 35 O ILE 5 37.880 12.310 2.724 1.00 0.00 ATOM 36 C ILE 5 38.155 11.279 3.301 1.00 0.00 ATOM 37 N THR 6 39.376 10.758 3.265 1.00 0.00 ATOM 38 CA THR 6 40.495 11.449 2.641 1.00 0.00 ATOM 39 CB THR 6 41.677 11.451 3.589 1.00 0.00 ATOM 40 CG2 THR 6 41.451 12.460 4.654 1.00 0.00 ATOM 41 OG1 THR 6 41.776 10.187 4.214 1.00 0.00 ATOM 42 O THR 6 41.559 11.506 0.466 1.00 0.00 ATOM 43 C THR 6 40.905 10.843 1.307 1.00 0.00 ATOM 44 N TYR 7 40.508 9.594 1.085 1.00 0.00 ATOM 45 CA TYR 7 41.002 8.860 -0.078 1.00 0.00 ATOM 46 CB TYR 7 42.472 8.421 0.126 1.00 0.00 ATOM 47 CG TYR 7 43.137 7.949 -1.150 1.00 0.00 ATOM 48 CD1 TYR 7 43.515 8.859 -2.111 1.00 0.00 ATOM 49 CD2 TYR 7 43.350 6.596 -1.406 1.00 0.00 ATOM 50 CE1 TYR 7 44.116 8.460 -3.279 1.00 0.00 ATOM 51 CE2 TYR 7 43.947 6.180 -2.593 1.00 0.00 ATOM 52 CZ TYR 7 44.331 7.126 -3.523 1.00 0.00 ATOM 53 OH TYR 7 44.933 6.778 -4.730 1.00 0.00 ATOM 54 O TYR 7 39.637 7.026 0.522 1.00 0.00 ATOM 55 C TYR 7 40.104 7.689 -0.384 1.00 0.00 ATOM 56 N ARG 8 39.830 7.474 -1.669 1.00 0.00 ATOM 57 CA ARG 8 39.085 6.301 -2.139 1.00 0.00 ATOM 58 CB ARG 8 37.695 6.672 -2.646 1.00 0.00 ATOM 59 CG ARG 8 36.857 7.507 -1.738 1.00 0.00 ATOM 60 CD ARG 8 35.556 7.867 -2.472 1.00 0.00 ATOM 61 NE ARG 8 34.625 8.612 -1.641 1.00 0.00 ATOM 62 CZ ARG 8 33.796 8.062 -0.749 1.00 0.00 ATOM 63 NH1 ARG 8 33.769 6.738 -0.540 1.00 0.00 ATOM 64 NH2 ARG 8 32.979 8.850 -0.049 1.00 0.00 ATOM 65 O ARG 8 40.302 6.446 -4.169 1.00 0.00 ATOM 66 C ARG 8 39.786 5.707 -3.318 1.00 0.00 ATOM 67 N THR 9 39.773 4.371 -3.406 1.00 0.00 ATOM 68 CA THR 9 40.371 3.690 -4.551 1.00 0.00 ATOM 69 CB THR 9 41.955 3.669 -4.490 1.00 0.00 ATOM 70 CG2 THR 9 42.485 2.763 -3.389 1.00 0.00 ATOM 71 OG1 THR 9 42.507 3.245 -5.739 1.00 0.00 ATOM 72 O THR 9 39.021 1.828 -3.798 1.00 0.00 ATOM 73 C THR 9 39.780 2.278 -4.667 1.00 0.00 ATOM 74 N THR 10 40.059 1.640 -5.792 1.00 0.00 ATOM 75 CA THR 10 39.698 0.239 -6.040 1.00 0.00 ATOM 76 CB THR 10 38.903 0.112 -7.363 1.00 0.00 ATOM 77 CG2 THR 10 38.564 -1.318 -7.699 1.00 0.00 ATOM 78 OG1 THR 10 37.665 0.809 -7.230 1.00 0.00 ATOM 79 O THR 10 41.972 -0.152 -6.674 1.00 0.00 ATOM 80 C THR 10 41.007 -0.555 -6.036 1.00 0.00 ATOM 81 N VAL 11 41.063 -1.655 -5.277 1.00 0.00 ATOM 82 CA VAL 11 42.267 -2.501 -5.246 1.00 0.00 ATOM 83 CB VAL 11 42.136 -3.622 -4.253 1.00 0.00 ATOM 84 CG1 VAL 11 43.330 -4.602 -4.320 1.00 0.00 ATOM 85 CG2 VAL 11 41.927 -3.039 -2.834 1.00 0.00 ATOM 86 O VAL 11 41.741 -3.841 -7.170 1.00 0.00 ATOM 87 C VAL 11 42.553 -3.091 -6.626 1.00 0.00 ATOM 88 N GLN 12 43.758 -2.807 -7.119 1.00 0.00 ATOM 89 CA GLN 12 44.190 -3.155 -8.469 1.00 0.00 ATOM 90 CB GLN 12 45.019 -1.996 -9.081 1.00 0.00 ATOM 91 CG GLN 12 45.610 -0.944 -8.082 1.00 0.00 ATOM 92 CD GLN 12 46.282 0.246 -8.794 1.00 0.00 ATOM 93 OE1 GLN 12 45.781 1.377 -8.765 1.00 0.00 ATOM 94 NE2 GLN 12 47.414 -0.008 -9.417 1.00 0.00 ATOM 95 O GLN 12 45.521 -4.813 -7.377 1.00 0.00 ATOM 96 C GLN 12 45.021 -4.443 -8.422 1.00 0.00 ATOM 97 N GLU 13 45.139 -5.112 -9.565 1.00 0.00 ATOM 98 CA GLU 13 45.858 -6.361 -9.672 1.00 0.00 ATOM 99 CB GLU 13 45.729 -6.940 -11.067 1.00 0.00 ATOM 100 CG GLU 13 46.037 -8.426 -11.138 1.00 0.00 ATOM 101 CD GLU 13 45.608 -9.077 -12.467 1.00 0.00 ATOM 102 OE1 GLU 13 44.820 -8.467 -13.228 1.00 0.00 ATOM 103 OE2 GLU 13 46.068 -10.211 -12.724 1.00 0.00 ATOM 104 O GLU 13 47.919 -7.214 -8.883 1.00 0.00 ATOM 105 C GLU 13 47.337 -6.239 -9.315 1.00 0.00 ATOM 106 N ASP 14 47.942 -5.059 -9.433 1.00 0.00 ATOM 107 CA ASP 14 49.367 -4.976 -9.065 1.00 0.00 ATOM 108 CB ASP 14 50.174 -4.009 -9.945 1.00 0.00 ATOM 109 CG ASP 14 49.620 -2.622 -9.955 1.00 0.00 ATOM 110 OD1 ASP 14 48.581 -2.384 -9.301 1.00 0.00 ATOM 111 OD2 ASP 14 50.222 -1.778 -10.662 1.00 0.00 ATOM 112 O ASP 14 50.759 -4.639 -7.147 1.00 0.00 ATOM 113 C ASP 14 49.604 -4.738 -7.581 1.00 0.00 ATOM 114 N TRP 15 48.528 -4.723 -6.800 1.00 0.00 ATOM 115 CA TRP 15 48.632 -4.683 -5.337 1.00 0.00 ATOM 116 CB TRP 15 47.690 -3.621 -4.789 1.00 0.00 ATOM 117 CG TRP 15 48.074 -2.224 -5.130 1.00 0.00 ATOM 118 CD1 TRP 15 49.217 -1.806 -5.751 1.00 0.00 ATOM 119 CD2 TRP 15 47.334 -1.063 -4.832 1.00 0.00 ATOM 120 CE2 TRP 15 48.083 0.030 -5.291 1.00 0.00 ATOM 121 CE3 TRP 15 46.104 -0.830 -4.209 1.00 0.00 ATOM 122 NE1 TRP 15 49.221 -0.470 -5.860 1.00 0.00 ATOM 123 CZ2 TRP 15 47.632 1.346 -5.184 1.00 0.00 ATOM 124 CZ3 TRP 15 45.660 0.473 -4.096 1.00 0.00 ATOM 125 CH2 TRP 15 46.425 1.547 -4.576 1.00 0.00 ATOM 126 O TRP 15 48.428 -6.031 -3.345 1.00 0.00 ATOM 127 C TRP 15 48.347 -5.985 -4.592 1.00 0.00 ATOM 128 N VAL 16 48.026 -7.043 -5.328 1.00 0.00 ATOM 129 CA VAL 16 47.586 -8.270 -4.733 1.00 0.00 ATOM 130 CB VAL 16 46.128 -8.669 -5.125 1.00 0.00 ATOM 131 CG1 VAL 16 45.135 -7.502 -4.869 1.00 0.00 ATOM 132 CG2 VAL 16 46.025 -9.150 -6.541 1.00 0.00 ATOM 133 O VAL 16 49.314 -9.342 -5.965 1.00 0.00 ATOM 134 C VAL 16 48.563 -9.398 -5.013 1.00 0.00 ATOM 135 N ASP 17 48.547 -10.394 -4.135 1.00 0.00 ATOM 136 CA ASP 17 49.379 -11.580 -4.265 1.00 0.00 ATOM 137 CB ASP 17 49.718 -12.189 -2.891 1.00 0.00 ATOM 138 CG ASP 17 48.492 -12.544 -2.069 1.00 0.00 ATOM 139 OD1 ASP 17 47.423 -12.825 -2.654 1.00 0.00 ATOM 140 OD2 ASP 17 48.593 -12.551 -0.828 1.00 0.00 ATOM 141 O ASP 17 47.612 -12.258 -5.761 1.00 0.00 ATOM 142 C ASP 17 48.656 -12.571 -5.184 1.00 0.00 ATOM 143 N TYR 18 49.240 -13.753 -5.340 1.00 0.00 ATOM 144 CA TYR 18 48.756 -14.756 -6.269 1.00 0.00 ATOM 145 CB TYR 18 49.697 -15.998 -6.236 1.00 0.00 ATOM 146 CG TYR 18 49.558 -16.901 -7.447 1.00 0.00 ATOM 147 CD1 TYR 18 49.936 -16.476 -8.724 1.00 0.00 ATOM 148 CD2 TYR 18 49.043 -18.188 -7.324 1.00 0.00 ATOM 149 CE1 TYR 18 49.784 -17.331 -9.848 1.00 0.00 ATOM 150 CE2 TYR 18 48.908 -19.027 -8.432 1.00 0.00 ATOM 151 CZ TYR 18 49.265 -18.600 -9.675 1.00 0.00 ATOM 152 OH TYR 18 49.101 -19.486 -10.726 1.00 0.00 ATOM 153 O TYR 18 46.531 -15.464 -6.857 1.00 0.00 ATOM 154 C TYR 18 47.309 -15.142 -5.958 1.00 0.00 ATOM 155 N ASN 19 46.959 -15.080 -4.678 1.00 0.00 ATOM 156 CA ASN 19 45.644 -15.429 -4.192 1.00 0.00 ATOM 157 CB ASN 19 45.815 -16.046 -2.822 1.00 0.00 ATOM 158 CG ASN 19 46.768 -17.257 -2.852 1.00 0.00 ATOM 159 ND2 ASN 19 47.409 -17.529 -1.731 1.00 0.00 ATOM 160 OD1 ASN 19 46.940 -17.912 -3.890 1.00 0.00 ATOM 161 O ASN 19 43.480 -14.444 -3.768 1.00 0.00 ATOM 162 C ASN 19 44.621 -14.277 -4.176 1.00 0.00 ATOM 163 N GLY 20 45.026 -13.116 -4.659 1.00 0.00 ATOM 164 CA GLY 20 44.105 -12.007 -4.861 1.00 0.00 ATOM 165 O GLY 20 42.980 -10.359 -3.580 1.00 0.00 ATOM 166 C GLY 20 43.911 -11.160 -3.624 1.00 0.00 ATOM 167 N HIS 21 44.828 -11.278 -2.658 1.00 0.00 ATOM 168 CA HIS 21 44.764 -10.448 -1.446 1.00 0.00 ATOM 169 CB HIS 21 44.979 -11.285 -0.212 1.00 0.00 ATOM 170 CG HIS 21 43.855 -12.226 0.055 1.00 0.00 ATOM 171 CD2 HIS 21 42.543 -12.159 -0.276 1.00 0.00 ATOM 172 ND1 HIS 21 44.035 -13.443 0.667 1.00 0.00 ATOM 173 CE1 HIS 21 42.876 -14.070 0.734 1.00 0.00 ATOM 174 NE2 HIS 21 41.952 -13.308 0.182 1.00 0.00 ATOM 175 O HIS 21 46.917 -9.441 -1.800 1.00 0.00 ATOM 176 C HIS 21 45.750 -9.290 -1.445 1.00 0.00 ATOM 177 N LEU 22 45.253 -8.137 -1.011 1.00 0.00 ATOM 178 CA LEU 22 46.038 -6.929 -0.880 1.00 0.00 ATOM 179 CB LEU 22 45.168 -5.836 -0.259 1.00 0.00 ATOM 180 CG LEU 22 45.761 -4.423 -0.115 1.00 0.00 ATOM 181 CD1 LEU 22 46.206 -3.876 -1.451 1.00 0.00 ATOM 182 CD2 LEU 22 44.769 -3.510 0.546 1.00 0.00 ATOM 183 O LEU 22 47.182 -7.698 1.115 1.00 0.00 ATOM 184 C LEU 22 47.286 -7.219 -0.025 1.00 0.00 ATOM 185 N ARG 23 48.463 -6.944 -0.589 1.00 0.00 ATOM 186 CA ARG 23 49.737 -7.077 0.152 1.00 0.00 ATOM 187 CB ARG 23 50.928 -6.968 -0.819 1.00 0.00 ATOM 188 CG ARG 23 52.303 -6.988 -0.126 1.00 0.00 ATOM 189 CD ARG 23 53.407 -6.694 -1.110 1.00 0.00 ATOM 190 NE ARG 23 53.558 -7.755 -2.096 1.00 0.00 ATOM 191 CZ ARG 23 54.198 -8.898 -1.855 1.00 0.00 ATOM 192 NH1 ARG 23 54.747 -9.161 -0.650 1.00 0.00 ATOM 193 NH2 ARG 23 54.270 -9.795 -2.823 1.00 0.00 ATOM 194 O ARG 23 49.318 -4.896 1.097 1.00 0.00 ATOM 195 C ARG 23 49.822 -6.026 1.261 1.00 0.00 ATOM 196 N ASP 24 50.448 -6.400 2.379 1.00 0.00 ATOM 197 CA ASP 24 50.537 -5.570 3.581 1.00 0.00 ATOM 198 CB ASP 24 51.442 -6.226 4.665 1.00 0.00 ATOM 199 CG ASP 24 52.843 -6.663 4.142 1.00 0.00 ATOM 200 OD1 ASP 24 53.255 -6.396 2.963 1.00 0.00 ATOM 201 OD2 ASP 24 53.521 -7.331 4.933 1.00 0.00 ATOM 202 O ASP 24 50.465 -3.165 3.782 1.00 0.00 ATOM 203 C ASP 24 51.032 -4.151 3.282 1.00 0.00 ATOM 204 N ALA 25 52.043 -4.033 2.420 1.00 0.00 ATOM 205 CA ALA 25 52.631 -2.710 2.171 1.00 0.00 ATOM 206 CB ALA 25 53.928 -2.849 1.405 1.00 0.00 ATOM 207 O ALA 25 51.757 -0.531 1.556 1.00 0.00 ATOM 208 C ALA 25 51.665 -1.762 1.439 1.00 0.00 ATOM 209 N PHE 26 50.750 -2.344 0.667 1.00 0.00 ATOM 210 CA PHE 26 49.842 -1.562 -0.150 1.00 0.00 ATOM 211 CB PHE 26 49.419 -2.310 -1.416 1.00 0.00 ATOM 212 CG PHE 26 50.533 -2.453 -2.435 1.00 0.00 ATOM 213 CD1 PHE 26 51.170 -1.343 -2.934 1.00 0.00 ATOM 214 CD2 PHE 26 50.963 -3.706 -2.859 1.00 0.00 ATOM 215 CE1 PHE 26 52.216 -1.473 -3.847 1.00 0.00 ATOM 216 CE2 PHE 26 51.996 -3.843 -3.749 1.00 0.00 ATOM 217 CZ PHE 26 52.625 -2.717 -4.245 1.00 0.00 ATOM 218 O PHE 26 48.035 -0.063 0.282 1.00 0.00 ATOM 219 C PHE 26 48.659 -1.050 0.673 1.00 0.00 ATOM 220 N TYR 27 48.368 -1.666 1.822 1.00 0.00 ATOM 221 CA TYR 27 47.445 -1.001 2.780 1.00 0.00 ATOM 222 CB TYR 27 47.225 -1.804 4.038 1.00 0.00 ATOM 223 CG TYR 27 46.448 -3.099 4.010 1.00 0.00 ATOM 224 CD1 TYR 27 47.019 -4.260 3.533 1.00 0.00 ATOM 225 CD2 TYR 27 45.179 -3.190 4.606 1.00 0.00 ATOM 226 CE1 TYR 27 46.338 -5.444 3.571 1.00 0.00 ATOM 227 CE2 TYR 27 44.489 -4.385 4.666 1.00 0.00 ATOM 228 CZ TYR 27 45.081 -5.523 4.145 1.00 0.00 ATOM 229 OH TYR 27 44.433 -6.751 4.188 1.00 0.00 ATOM 230 O TYR 27 47.450 1.370 3.187 1.00 0.00 ATOM 231 C TYR 27 48.093 0.318 3.206 1.00 0.00 ATOM 232 N LEU 28 49.385 0.262 3.550 1.00 0.00 ATOM 233 CA LEU 28 50.149 1.468 3.909 1.00 0.00 ATOM 234 CB LEU 28 51.510 1.126 4.537 1.00 0.00 ATOM 235 CG LEU 28 52.153 2.193 5.428 1.00 0.00 ATOM 236 CD1 LEU 28 51.393 2.420 6.762 1.00 0.00 ATOM 237 CD2 LEU 28 53.619 1.804 5.749 1.00 0.00 ATOM 238 O LEU 28 50.282 3.663 3.015 1.00 0.00 ATOM 239 C LEU 28 50.301 2.470 2.767 1.00 0.00 ATOM 240 N LEU 29 50.420 2.008 1.516 1.00 0.00 ATOM 241 CA LEU 29 50.413 2.914 0.381 1.00 0.00 ATOM 242 CB LEU 29 50.699 2.168 -0.947 1.00 0.00 ATOM 243 CG LEU 29 50.834 3.095 -2.144 1.00 0.00 ATOM 244 CD1 LEU 29 51.960 4.100 -1.943 1.00 0.00 ATOM 245 CD2 LEU 29 51.018 2.325 -3.467 1.00 0.00 ATOM 246 O LEU 29 49.147 4.943 0.021 1.00 0.00 ATOM 247 C LEU 29 49.120 3.716 0.262 1.00 0.00 ATOM 248 N ILE 30 47.989 3.030 0.399 1.00 0.00 ATOM 249 CA ILE 30 46.670 3.681 0.376 1.00 0.00 ATOM 250 CB ILE 30 45.527 2.639 0.555 1.00 0.00 ATOM 251 CG1 ILE 30 45.451 1.708 -0.640 1.00 0.00 ATOM 252 CG2 ILE 30 44.196 3.321 0.864 1.00 0.00 ATOM 253 CD1 ILE 30 44.718 0.431 -0.325 1.00 0.00 ATOM 254 O ILE 30 46.180 5.845 1.264 1.00 0.00 ATOM 255 C ILE 30 46.596 4.717 1.485 1.00 0.00 ATOM 256 N PHE 31 47.045 4.367 2.685 1.00 0.00 ATOM 257 CA PHE 31 47.129 5.378 3.737 1.00 0.00 ATOM 258 CB PHE 31 47.492 4.743 5.095 1.00 0.00 ATOM 259 CG PHE 31 46.471 3.786 5.653 1.00 0.00 ATOM 260 CD1 PHE 31 45.105 3.942 5.449 1.00 0.00 ATOM 261 CD2 PHE 31 46.892 2.778 6.533 1.00 0.00 ATOM 262 CE1 PHE 31 44.196 3.070 6.037 1.00 0.00 ATOM 263 CE2 PHE 31 46.005 1.876 7.052 1.00 0.00 ATOM 264 CZ PHE 31 44.650 2.034 6.847 1.00 0.00 ATOM 265 O PHE 31 47.789 7.706 3.804 1.00 0.00 ATOM 266 C PHE 31 48.088 6.560 3.435 1.00 0.00 ATOM 267 N SER 32 49.205 6.309 2.746 1.00 0.00 ATOM 268 CA SER 32 50.167 7.383 2.353 1.00 0.00 ATOM 269 CB SER 32 51.411 6.797 1.641 1.00 0.00 ATOM 270 OG SER 32 52.559 7.659 1.699 1.00 0.00 ATOM 271 O SER 32 49.703 9.599 1.556 1.00 0.00 ATOM 272 C SER 32 49.509 8.390 1.426 1.00 0.00 ATOM 273 N TYR 33 48.774 7.873 0.462 1.00 0.00 ATOM 274 CA TYR 33 48.018 8.701 -0.449 1.00 0.00 ATOM 275 CB TYR 33 47.345 7.872 -1.513 1.00 0.00 ATOM 276 CG TYR 33 48.261 7.206 -2.523 1.00 0.00 ATOM 277 CD1 TYR 33 49.508 7.742 -2.858 1.00 0.00 ATOM 278 CD2 TYR 33 47.843 6.071 -3.190 1.00 0.00 ATOM 279 CE1 TYR 33 50.327 7.119 -3.801 1.00 0.00 ATOM 280 CE2 TYR 33 48.634 5.465 -4.144 1.00 0.00 ATOM 281 CZ TYR 33 49.875 5.980 -4.445 1.00 0.00 ATOM 282 OH TYR 33 50.659 5.341 -5.395 1.00 0.00 ATOM 283 O TYR 33 46.732 10.628 0.018 1.00 0.00 ATOM 284 C TYR 33 46.968 9.487 0.320 1.00 0.00 ATOM 285 N ALA 34 46.380 8.868 1.331 1.00 0.00 ATOM 286 CA ALA 34 45.429 9.558 2.211 1.00 0.00 ATOM 287 CB ALA 34 44.815 8.592 3.213 1.00 0.00 ATOM 288 O ALA 34 45.478 11.797 3.093 1.00 0.00 ATOM 289 C ALA 34 46.087 10.725 2.952 1.00 0.00 ATOM 290 N THR 35 47.305 10.505 3.462 1.00 0.00 ATOM 291 CA THR 35 48.094 11.571 4.121 1.00 0.00 ATOM 292 CB THR 35 49.434 11.026 4.631 1.00 0.00 ATOM 293 CG2 THR 35 50.303 12.147 5.234 1.00 0.00 ATOM 294 OG1 THR 35 49.217 10.016 5.624 1.00 0.00 ATOM 295 O THR 35 48.170 13.884 3.466 1.00 0.00 ATOM 296 C THR 35 48.350 12.714 3.138 1.00 0.00 ATOM 297 N ASP 36 48.697 12.379 1.897 1.00 0.00 ATOM 298 CA ASP 36 48.915 13.418 0.886 1.00 0.00 ATOM 299 CB ASP 36 49.424 12.820 -0.422 1.00 0.00 ATOM 300 CG ASP 36 50.784 12.137 -0.289 1.00 0.00 ATOM 301 OD1 ASP 36 51.456 12.237 0.761 1.00 0.00 ATOM 302 OD2 ASP 36 51.173 11.461 -1.257 1.00 0.00 ATOM 303 O ASP 36 47.667 15.500 0.524 1.00 0.00 ATOM 304 C ASP 36 47.636 14.266 0.621 1.00 0.00 ATOM 305 N ALA 37 46.525 13.589 0.466 1.00 0.00 ATOM 306 CA ALA 37 45.237 14.237 0.288 1.00 0.00 ATOM 307 CB ALA 37 44.158 13.178 0.004 1.00 0.00 ATOM 308 O ALA 37 44.220 16.125 1.322 1.00 0.00 ATOM 309 C ALA 37 44.835 15.089 1.490 1.00 0.00 ATOM 310 N LEU 38 45.160 14.658 2.694 1.00 0.00 ATOM 311 CA LEU 38 44.912 15.478 3.867 1.00 0.00 ATOM 312 CB LEU 38 45.275 14.717 5.131 1.00 0.00 ATOM 313 CG LEU 38 44.951 15.438 6.433 1.00 0.00 ATOM 314 CD1 LEU 38 43.460 15.715 6.611 1.00 0.00 ATOM 315 CD2 LEU 38 45.528 14.688 7.600 1.00 0.00 ATOM 316 O LEU 38 45.206 17.856 4.142 1.00 0.00 ATOM 317 C LEU 38 45.714 16.793 3.794 1.00 0.00 ATOM 318 N MET 39 46.950 16.719 3.316 1.00 0.00 ATOM 319 CA MET 39 47.769 17.912 3.167 1.00 0.00 ATOM 320 CB MET 39 49.254 17.568 2.970 1.00 0.00 ATOM 321 CG MET 39 49.920 16.916 4.163 1.00 0.00 ATOM 322 SD MET 39 49.481 17.767 5.859 1.00 0.00 ATOM 323 CE MET 39 48.424 16.378 6.689 1.00 0.00 ATOM 324 O MET 39 47.217 20.046 2.231 1.00 0.00 ATOM 325 C MET 39 47.238 18.816 2.060 1.00 0.00 ATOM 326 N ASP 40 46.756 18.243 0.958 1.00 0.00 ATOM 327 CA ASP 40 46.018 19.059 -0.029 1.00 0.00 ATOM 328 CB ASP 40 45.507 18.232 -1.205 1.00 0.00 ATOM 329 CG ASP 40 46.593 17.801 -2.135 1.00 0.00 ATOM 330 OD1 ASP 40 47.650 18.492 -2.195 1.00 0.00 ATOM 331 OD2 ASP 40 46.384 16.752 -2.807 1.00 0.00 ATOM 332 O ASP 40 44.537 20.942 0.266 1.00 0.00 ATOM 333 C ASP 40 44.803 19.777 0.572 1.00 0.00 ATOM 334 N ARG 41 44.070 19.093 1.427 1.00 0.00 ATOM 335 CA ARG 41 42.876 19.689 2.028 1.00 0.00 ATOM 336 CB ARG 41 42.129 18.678 2.906 1.00 0.00 ATOM 337 CG ARG 41 41.361 17.644 2.177 1.00 0.00 ATOM 338 CD ARG 41 40.597 16.839 3.202 1.00 0.00 ATOM 339 NE ARG 41 39.755 15.810 2.599 1.00 0.00 ATOM 340 CZ ARG 41 38.431 15.890 2.492 1.00 0.00 ATOM 341 NH1 ARG 41 37.756 16.929 2.974 1.00 0.00 ATOM 342 NH2 ARG 41 37.785 14.902 1.916 1.00 0.00 ATOM 343 O ARG 41 42.473 21.870 2.898 1.00 0.00 ATOM 344 C ARG 41 43.209 20.880 2.897 1.00 0.00 ATOM 345 N ILE 42 44.290 20.783 3.668 1.00 0.00 ATOM 346 CA ILE 42 44.677 21.912 4.481 1.00 0.00 ATOM 347 CB ILE 42 45.178 21.505 5.875 1.00 0.00 ATOM 348 CG1 ILE 42 46.527 20.810 5.842 1.00 0.00 ATOM 349 CG2 ILE 42 44.124 20.643 6.603 1.00 0.00 ATOM 350 CD1 ILE 42 47.102 20.632 7.258 1.00 0.00 ATOM 351 O ILE 42 46.023 23.852 4.305 1.00 0.00 ATOM 352 C ILE 42 45.634 22.849 3.756 1.00 0.00 ATOM 353 N GLY 43 45.976 22.540 2.504 1.00 0.00 ATOM 354 CA GLY 43 46.806 23.421 1.673 1.00 0.00 ATOM 355 O GLY 43 48.809 24.630 2.015 1.00 0.00 ATOM 356 C GLY 43 48.211 23.588 2.193 1.00 0.00 ATOM 357 N LEU 44 48.774 22.548 2.780 1.00 0.00 ATOM 358 CA LEU 44 50.099 22.656 3.388 1.00 0.00 ATOM 359 CB LEU 44 50.400 21.487 4.300 1.00 0.00 ATOM 360 CG LEU 44 51.832 21.431 4.875 1.00 0.00 ATOM 361 CD1 LEU 44 52.131 22.580 5.813 1.00 0.00 ATOM 362 CD2 LEU 44 52.091 20.116 5.574 1.00 0.00 ATOM 363 O LEU 44 51.234 21.837 1.466 1.00 0.00 ATOM 364 C LEU 44 51.138 22.739 2.296 1.00 0.00 ATOM 365 N ASP 45 51.901 23.826 2.306 1.00 0.00 ATOM 366 CA ASP 45 52.951 24.084 1.310 1.00 0.00 ATOM 367 CB ASP 45 54.141 23.169 1.541 1.00 0.00 ATOM 368 CG ASP 45 54.803 23.400 2.878 1.00 0.00 ATOM 369 OD1 ASP 45 55.131 24.566 3.207 1.00 0.00 ATOM 370 OD2 ASP 45 55.021 22.408 3.595 1.00 0.00 ATOM 371 O ASP 45 53.173 23.494 -0.989 1.00 0.00 ATOM 372 C ASP 45 52.447 23.945 -0.121 1.00 0.00 ATOM 373 N ALA 46 51.222 24.410 -0.350 1.00 0.00 ATOM 374 CA ALA 46 50.509 24.226 -1.618 1.00 0.00 ATOM 375 CB ALA 46 49.075 24.749 -1.479 1.00 0.00 ATOM 376 O ALA 46 50.960 24.461 -3.985 1.00 0.00 ATOM 377 C ALA 46 51.174 24.871 -2.831 1.00 0.00 ATOM 378 N ASP 47 51.954 25.900 -2.590 1.00 0.00 ATOM 379 CA ASP 47 52.533 26.634 -3.671 1.00 0.00 ATOM 380 CB ASP 47 52.376 28.122 -3.366 1.00 0.00 ATOM 381 CG ASP 47 50.910 28.538 -3.282 1.00 0.00 ATOM 382 OD1 ASP 47 50.075 28.004 -4.064 1.00 0.00 ATOM 383 OD2 ASP 47 50.613 29.389 -2.427 1.00 0.00 ATOM 384 O ASP 47 54.681 26.987 -4.680 1.00 0.00 ATOM 385 C ASP 47 54.003 26.275 -3.934 1.00 0.00 ATOM 386 N SER 48 54.502 25.214 -3.308 1.00 0.00 ATOM 387 CA SER 48 55.922 24.823 -3.469 1.00 0.00 ATOM 388 CB SER 48 56.725 25.166 -2.218 1.00 0.00 ATOM 389 OG SER 48 56.434 24.258 -1.166 1.00 0.00 ATOM 390 O SER 48 55.043 22.632 -3.908 1.00 0.00 ATOM 391 C SER 48 56.051 23.328 -3.761 1.00 0.00 ATOM 392 N ARG 49 57.291 22.847 -3.903 1.00 0.00 ATOM 393 CA ARG 49 57.516 21.405 -4.055 1.00 0.00 ATOM 394 CB ARG 49 58.953 21.108 -4.525 1.00 0.00 ATOM 395 CG ARG 49 59.256 21.657 -5.921 1.00 0.00 ATOM 396 CD ARG 49 60.507 21.091 -6.513 1.00 0.00 ATOM 397 NE ARG 49 60.682 21.538 -7.907 1.00 0.00 ATOM 398 CZ ARG 49 61.603 21.067 -8.744 1.00 0.00 ATOM 399 NH1 ARG 49 62.445 20.122 -8.357 1.00 0.00 ATOM 400 NH2 ARG 49 61.662 21.524 -9.988 1.00 0.00 ATOM 401 O ARG 49 57.181 19.380 -2.827 1.00 0.00 ATOM 402 C ARG 49 57.184 20.613 -2.792 1.00 0.00 ATOM 403 N GLY 50 56.931 21.278 -1.667 1.00 0.00 ATOM 404 CA GLY 50 56.427 20.575 -0.446 1.00 0.00 ATOM 405 O GLY 50 54.478 19.461 0.458 1.00 0.00 ATOM 406 C GLY 50 54.958 20.173 -0.460 1.00 0.00 ATOM 407 N GLN 51 54.232 20.595 -1.503 1.00 0.00 ATOM 408 CA GLN 51 52.794 20.344 -1.616 1.00 0.00 ATOM 409 CB GLN 51 52.241 20.936 -2.922 1.00 0.00 ATOM 410 CG GLN 51 52.783 20.329 -4.204 1.00 0.00 ATOM 411 CD GLN 51 52.282 21.041 -5.473 1.00 0.00 ATOM 412 OE1 GLN 51 52.367 22.253 -5.610 1.00 0.00 ATOM 413 NE2 GLN 51 51.769 20.271 -6.400 1.00 0.00 ATOM 414 O GLN 51 53.306 17.988 -1.755 1.00 0.00 ATOM 415 C GLN 51 52.451 18.850 -1.525 1.00 0.00 ATOM 416 N SER 52 51.207 18.563 -1.153 1.00 0.00 ATOM 417 CA SER 52 50.616 17.236 -1.281 1.00 0.00 ATOM 418 CB SER 52 50.521 16.851 -2.763 1.00 0.00 ATOM 419 OG SER 52 49.756 17.785 -3.467 1.00 0.00 ATOM 420 O SER 52 51.594 15.098 -1.035 1.00 0.00 ATOM 421 C SER 52 51.385 16.190 -0.527 1.00 0.00 ATOM 422 N GLY 53 51.804 16.519 0.700 1.00 0.00 ATOM 423 CA GLY 53 52.571 15.613 1.503 1.00 0.00 ATOM 424 O GLY 53 54.799 15.009 2.053 1.00 0.00 ATOM 425 C GLY 53 54.073 15.581 1.260 1.00 0.00 ATOM 426 N ASN 54 54.576 16.216 0.206 1.00 0.00 ATOM 427 CA ASN 54 56.010 16.151 -0.047 1.00 0.00 ATOM 428 CB ASN 54 56.382 16.796 -1.394 1.00 0.00 ATOM 429 CG ASN 54 55.937 15.962 -2.609 1.00 0.00 ATOM 430 ND2 ASN 54 55.582 16.635 -3.695 1.00 0.00 ATOM 431 OD1 ASN 54 55.942 14.740 -2.573 1.00 0.00 ATOM 432 O ASN 54 58.008 16.318 1.237 1.00 0.00 ATOM 433 C ASN 54 56.867 16.735 1.078 1.00 0.00 ATOM 434 N SER 55 56.334 17.663 1.867 1.00 0.00 ATOM 435 CA SER 55 57.100 18.269 2.975 1.00 0.00 ATOM 436 CB SER 55 56.618 19.702 3.232 1.00 0.00 ATOM 437 OG SER 55 55.219 19.690 3.483 1.00 0.00 ATOM 438 O SER 55 57.320 18.024 5.336 1.00 0.00 ATOM 439 C SER 55 56.937 17.509 4.282 1.00 0.00 ATOM 440 N LEU 56 56.331 16.323 4.251 1.00 0.00 ATOM 441 CA LEU 56 56.197 15.505 5.460 1.00 0.00 ATOM 442 CB LEU 56 54.762 15.048 5.634 1.00 0.00 ATOM 443 CG LEU 56 53.720 16.103 5.937 1.00 0.00 ATOM 444 CD1 LEU 56 52.414 15.397 6.176 1.00 0.00 ATOM 445 CD2 LEU 56 54.107 16.958 7.144 1.00 0.00 ATOM 446 O LEU 56 57.086 13.578 4.361 1.00 0.00 ATOM 447 C LEU 56 57.089 14.263 5.370 1.00 0.00 ATOM 448 N PHE 57 57.828 13.971 6.423 1.00 0.00 ATOM 449 CA PHE 57 58.586 12.740 6.506 1.00 0.00 ATOM 450 CB PHE 57 60.033 13.053 6.903 1.00 0.00 ATOM 451 CG PHE 57 60.932 11.821 7.058 1.00 0.00 ATOM 452 CD1 PHE 57 61.358 11.096 5.942 1.00 0.00 ATOM 453 CD2 PHE 57 61.345 11.401 8.321 1.00 0.00 ATOM 454 CE1 PHE 57 62.192 9.973 6.087 1.00 0.00 ATOM 455 CE2 PHE 57 62.182 10.283 8.488 1.00 0.00 ATOM 456 CZ PHE 57 62.605 9.565 7.373 1.00 0.00 ATOM 457 O PHE 57 57.701 12.339 8.697 1.00 0.00 ATOM 458 C PHE 57 57.899 11.888 7.566 1.00 0.00 ATOM 459 N THR 58 57.496 10.678 7.213 1.00 0.00 ATOM 460 CA THR 58 56.890 9.818 8.210 1.00 0.00 ATOM 461 CB THR 58 56.178 8.637 7.586 1.00 0.00 ATOM 462 CG2 THR 58 55.418 7.890 8.680 1.00 0.00 ATOM 463 OG1 THR 58 55.247 9.092 6.588 1.00 0.00 ATOM 464 O THR 58 58.969 8.763 8.678 1.00 0.00 ATOM 465 C THR 58 57.998 9.332 9.143 1.00 0.00 ATOM 466 N LEU 59 57.857 9.611 10.432 1.00 0.00 ATOM 467 CA LEU 59 58.846 9.234 11.436 1.00 0.00 ATOM 468 CB LEU 59 58.745 10.141 12.665 1.00 0.00 ATOM 469 CG LEU 59 59.191 11.581 12.459 1.00 0.00 ATOM 470 CD1 LEU 59 58.855 12.427 13.662 1.00 0.00 ATOM 471 CD2 LEU 59 60.670 11.600 12.152 1.00 0.00 ATOM 472 O LEU 59 59.625 7.052 12.070 1.00 0.00 ATOM 473 C LEU 59 58.657 7.774 11.868 1.00 0.00 ATOM 474 N GLU 60 57.400 7.364 11.972 1.00 0.00 ATOM 475 CA GLU 60 57.030 6.154 12.689 1.00 0.00 ATOM 476 CB GLU 60 57.198 6.416 14.187 1.00 0.00 ATOM 477 CG GLU 60 57.251 5.207 15.070 1.00 0.00 ATOM 478 CD GLU 60 57.560 5.558 16.521 1.00 0.00 ATOM 479 OE1 GLU 60 57.820 6.746 16.861 1.00 0.00 ATOM 480 OE2 GLU 60 57.570 4.623 17.328 1.00 0.00 ATOM 481 O GLU 60 54.753 6.745 12.301 1.00 0.00 ATOM 482 C GLU 60 55.576 5.842 12.393 1.00 0.00 ATOM 483 N ALA 61 55.250 4.561 12.276 1.00 0.00 ATOM 484 CA ALA 61 53.892 4.128 12.065 1.00 0.00 ATOM 485 CB ALA 61 53.552 4.121 10.559 1.00 0.00 ATOM 486 O ALA 61 54.610 1.903 12.635 1.00 0.00 ATOM 487 C ALA 61 53.689 2.743 12.641 1.00 0.00 ATOM 488 N HIS 62 52.487 2.520 13.172 1.00 0.00 ATOM 489 CA HIS 62 52.033 1.183 13.538 1.00 0.00 ATOM 490 CB HIS 62 51.514 1.125 14.983 1.00 0.00 ATOM 491 CG HIS 62 51.578 -0.249 15.583 1.00 0.00 ATOM 492 CD2 HIS 62 52.615 -0.987 16.044 1.00 0.00 ATOM 493 ND1 HIS 62 50.470 -1.048 15.692 1.00 0.00 ATOM 494 CE1 HIS 62 50.819 -2.213 16.196 1.00 0.00 ATOM 495 NE2 HIS 62 52.116 -2.205 16.417 1.00 0.00 ATOM 496 O HIS 62 50.196 1.751 12.154 1.00 0.00 ATOM 497 C HIS 62 50.904 0.855 12.582 1.00 0.00 ATOM 498 N ILE 63 50.744 -0.411 12.224 1.00 0.00 ATOM 499 CA ILE 63 49.594 -0.795 11.448 1.00 0.00 ATOM 500 CB ILE 63 49.870 -0.732 9.917 1.00 0.00 ATOM 501 CG1 ILE 63 48.682 -1.261 9.150 1.00 0.00 ATOM 502 CG2 ILE 63 51.078 -1.489 9.530 1.00 0.00 ATOM 503 CD1 ILE 63 48.761 -0.826 7.716 1.00 0.00 ATOM 504 O ILE 63 49.806 -3.086 12.094 1.00 0.00 ATOM 505 C ILE 63 49.059 -2.126 11.900 1.00 0.00 ATOM 506 N ASN 64 47.753 -2.148 12.129 1.00 0.00 ATOM 507 CA ASN 64 47.044 -3.383 12.429 1.00 0.00 ATOM 508 CB ASN 64 46.124 -3.159 13.591 1.00 0.00 ATOM 509 CG ASN 64 46.892 -2.849 14.832 1.00 0.00 ATOM 510 ND2 ASN 64 47.129 -3.865 15.641 1.00 0.00 ATOM 511 OD1 ASN 64 47.332 -1.716 15.031 1.00 0.00 ATOM 512 O ASN 64 45.459 -3.016 10.742 1.00 0.00 ATOM 513 C ASN 64 46.240 -3.810 11.248 1.00 0.00 ATOM 514 N TYR 65 46.367 -5.077 10.860 1.00 0.00 ATOM 515 CA TYR 65 45.610 -5.600 9.724 1.00 0.00 ATOM 516 CB TYR 65 46.533 -6.340 8.768 1.00 0.00 ATOM 517 CG TYR 65 47.711 -5.545 8.264 1.00 0.00 ATOM 518 CD1 TYR 65 48.938 -5.557 8.945 1.00 0.00 ATOM 519 CD2 TYR 65 47.652 -4.882 7.037 1.00 0.00 ATOM 520 CE1 TYR 65 50.027 -4.874 8.454 1.00 0.00 ATOM 521 CE2 TYR 65 48.737 -4.226 6.546 1.00 0.00 ATOM 522 CZ TYR 65 49.912 -4.201 7.251 1.00 0.00 ATOM 523 OH TYR 65 50.978 -3.509 6.712 1.00 0.00 ATOM 524 O TYR 65 44.921 -7.599 10.804 1.00 0.00 ATOM 525 C TYR 65 44.564 -6.564 10.264 1.00 0.00 ATOM 526 N LEU 66 43.290 -6.173 10.184 1.00 0.00 ATOM 527 CA LEU 66 42.189 -6.953 10.748 1.00 0.00 ATOM 528 CB LEU 66 41.122 -6.027 11.346 1.00 0.00 ATOM 529 CG LEU 66 41.533 -5.139 12.530 1.00 0.00 ATOM 530 CD1 LEU 66 42.320 -5.920 13.603 1.00 0.00 ATOM 531 CD2 LEU 66 42.337 -3.940 12.118 1.00 0.00 ATOM 532 O LEU 66 41.095 -8.953 10.081 1.00 0.00 ATOM 533 C LEU 66 41.573 -7.891 9.718 1.00 0.00 ATOM 534 N HIS 67 41.616 -7.517 8.438 1.00 0.00 ATOM 535 CA HIS 67 40.968 -8.279 7.385 1.00 0.00 ATOM 536 CB HIS 67 39.551 -7.777 7.175 1.00 0.00 ATOM 537 CG HIS 67 38.687 -7.954 8.375 1.00 0.00 ATOM 538 CD2 HIS 67 38.361 -7.103 9.374 1.00 0.00 ATOM 539 ND1 HIS 67 38.096 -9.158 8.684 1.00 0.00 ATOM 540 CE1 HIS 67 37.416 -9.032 9.810 1.00 0.00 ATOM 541 NE2 HIS 67 37.568 -7.798 10.254 1.00 0.00 ATOM 542 O HIS 67 42.288 -7.141 5.697 1.00 0.00 ATOM 543 C HIS 67 41.703 -8.180 6.065 1.00 0.00 ATOM 544 N GLU 68 41.693 -9.303 5.377 1.00 0.00 ATOM 545 CA GLU 68 42.156 -9.382 3.990 1.00 0.00 ATOM 546 CB GLU 68 42.160 -10.836 3.497 1.00 0.00 ATOM 547 CG GLU 68 40.766 -11.398 3.156 1.00 0.00 ATOM 548 CD GLU 68 39.842 -11.555 4.391 1.00 0.00 ATOM 549 OE1 GLU 68 40.358 -11.658 5.538 1.00 0.00 ATOM 550 OE2 GLU 68 38.600 -11.581 4.211 1.00 0.00 ATOM 551 O GLU 68 40.079 -8.337 3.398 1.00 0.00 ATOM 552 C GLU 68 41.271 -8.525 3.120 1.00 0.00 ATOM 553 N VAL 69 41.855 -8.003 2.051 1.00 0.00 ATOM 554 CA VAL 69 41.118 -7.204 1.104 1.00 0.00 ATOM 555 CB VAL 69 41.530 -5.719 1.196 1.00 0.00 ATOM 556 CG1 VAL 69 40.759 -4.902 0.214 1.00 0.00 ATOM 557 CG2 VAL 69 41.302 -5.203 2.628 1.00 0.00 ATOM 558 O VAL 69 42.541 -7.991 -0.642 1.00 0.00 ATOM 559 C VAL 69 41.393 -7.785 -0.259 1.00 0.00 ATOM 560 N LYS 70 40.327 -8.087 -0.977 1.00 0.00 ATOM 561 CA LYS 70 40.435 -8.828 -2.201 1.00 0.00 ATOM 562 CB LYS 70 39.254 -9.815 -2.342 1.00 0.00 ATOM 563 CG LYS 70 39.152 -10.907 -1.272 1.00 0.00 ATOM 564 CD LYS 70 37.902 -11.733 -1.506 1.00 0.00 ATOM 565 CE LYS 70 37.699 -12.835 -0.466 1.00 0.00 ATOM 566 NZ LYS 70 38.827 -13.818 -0.400 1.00 0.00 ATOM 567 O LYS 70 40.069 -6.736 -3.400 1.00 0.00 ATOM 568 C LYS 70 40.517 -7.892 -3.422 1.00 0.00 ATOM 569 N LEU 71 41.074 -8.415 -4.498 1.00 0.00 ATOM 570 CA LEU 71 41.009 -7.745 -5.811 1.00 0.00 ATOM 571 CB LEU 71 41.308 -8.750 -6.908 1.00 0.00 ATOM 572 CG LEU 71 41.399 -8.210 -8.343 1.00 0.00 ATOM 573 CD1 LEU 71 42.577 -7.232 -8.462 1.00 0.00 ATOM 574 CD2 LEU 71 41.589 -9.379 -9.298 1.00 0.00 ATOM 575 O LEU 71 38.616 -7.734 -5.989 1.00 0.00 ATOM 576 C LEU 71 39.654 -7.099 -6.123 1.00 0.00 ATOM 577 N GLY 72 39.674 -5.833 -6.546 1.00 0.00 ATOM 578 CA GLY 72 38.462 -5.130 -6.995 1.00 0.00 ATOM 579 O GLY 72 36.637 -3.841 -6.147 1.00 0.00 ATOM 580 C GLY 72 37.629 -4.521 -5.892 1.00 0.00 ATOM 581 N THR 73 38.023 -4.723 -4.650 1.00 0.00 ATOM 582 CA THR 73 37.314 -4.120 -3.577 1.00 0.00 ATOM 583 CB THR 73 37.821 -4.649 -2.239 1.00 0.00 ATOM 584 CG2 THR 73 36.993 -4.080 -1.108 1.00 0.00 ATOM 585 OG1 THR 73 37.712 -6.081 -2.222 1.00 0.00 ATOM 586 O THR 73 38.583 -2.062 -3.808 1.00 0.00 ATOM 587 C THR 73 37.458 -2.592 -3.632 1.00 0.00 ATOM 588 N GLU 74 36.319 -1.893 -3.512 1.00 0.00 ATOM 589 CA GLU 74 36.301 -0.432 -3.400 1.00 0.00 ATOM 590 CB GLU 74 34.979 0.136 -3.903 1.00 0.00 ATOM 591 CG GLU 74 34.785 -0.101 -5.411 1.00 0.00 ATOM 592 CD GLU 74 33.306 -0.062 -5.855 1.00 0.00 ATOM 593 OE1 GLU 74 32.528 -0.977 -5.480 1.00 0.00 ATOM 594 OE2 GLU 74 32.947 0.865 -6.610 1.00 0.00 ATOM 595 O GLU 74 35.697 -0.480 -1.114 1.00 0.00 ATOM 596 C GLU 74 36.491 -0.086 -1.941 1.00 0.00 ATOM 597 N VAL 75 37.545 0.652 -1.639 1.00 0.00 ATOM 598 CA VAL 75 37.870 0.961 -0.266 1.00 0.00 ATOM 599 CB VAL 75 39.164 0.218 0.226 1.00 0.00 ATOM 600 CG1 VAL 75 38.975 -1.314 0.208 1.00 0.00 ATOM 601 CG2 VAL 75 40.439 0.656 -0.554 1.00 0.00 ATOM 602 O VAL 75 38.278 3.166 -1.090 1.00 0.00 ATOM 603 C VAL 75 38.032 2.461 -0.115 1.00 0.00 ATOM 604 N TRP 76 37.905 2.932 1.118 1.00 0.00 ATOM 605 CA TRP 76 38.165 4.320 1.449 1.00 0.00 ATOM 606 CB TRP 76 36.862 5.167 1.479 1.00 0.00 ATOM 607 CG TRP 76 35.913 4.919 2.581 1.00 0.00 ATOM 608 CD1 TRP 76 35.945 5.474 3.842 1.00 0.00 ATOM 609 CD2 TRP 76 34.743 4.101 2.538 1.00 0.00 ATOM 610 CE2 TRP 76 34.132 4.173 3.801 1.00 0.00 ATOM 611 CE3 TRP 76 34.160 3.286 1.555 1.00 0.00 ATOM 612 NE1 TRP 76 34.873 5.027 4.572 1.00 0.00 ATOM 613 CZ2 TRP 76 32.971 3.460 4.115 1.00 0.00 ATOM 614 CZ3 TRP 76 33.003 2.599 1.869 1.00 0.00 ATOM 615 CH2 TRP 76 32.437 2.675 3.143 1.00 0.00 ATOM 616 O TRP 76 38.811 3.534 3.629 1.00 0.00 ATOM 617 C TRP 76 38.882 4.435 2.777 1.00 0.00 ATOM 618 N VAL 77 39.546 5.580 2.953 1.00 0.00 ATOM 619 CA VAL 77 40.256 5.880 4.189 1.00 0.00 ATOM 620 CB VAL 77 41.692 6.405 3.885 1.00 0.00 ATOM 621 CG1 VAL 77 42.493 6.538 5.152 1.00 0.00 ATOM 622 CG2 VAL 77 42.379 5.497 2.906 1.00 0.00 ATOM 623 O VAL 77 39.131 7.941 4.452 1.00 0.00 ATOM 624 C VAL 77 39.533 6.918 4.993 1.00 0.00 ATOM 625 N GLN 78 39.394 6.667 6.303 1.00 0.00 ATOM 626 CA GLN 78 38.968 7.689 7.250 1.00 0.00 ATOM 627 CB GLN 78 37.863 7.147 8.189 1.00 0.00 ATOM 628 CG GLN 78 36.544 7.058 7.419 1.00 0.00 ATOM 629 CD GLN 78 35.415 6.381 8.134 1.00 0.00 ATOM 630 OE1 GLN 78 34.524 5.889 7.473 1.00 0.00 ATOM 631 NE2 GLN 78 35.440 6.332 9.470 1.00 0.00 ATOM 632 O GLN 78 41.064 7.388 8.355 1.00 0.00 ATOM 633 C GLN 78 40.178 8.160 8.045 1.00 0.00 ATOM 634 N THR 79 40.227 9.441 8.347 1.00 0.00 ATOM 635 CA THR 79 41.436 10.021 8.923 1.00 0.00 ATOM 636 CB THR 79 42.229 10.810 7.907 1.00 0.00 ATOM 637 CG2 THR 79 43.495 11.354 8.540 1.00 0.00 ATOM 638 OG1 THR 79 42.548 9.997 6.747 1.00 0.00 ATOM 639 O THR 79 40.118 11.722 9.972 1.00 0.00 ATOM 640 C THR 79 41.040 10.917 10.092 1.00 0.00 ATOM 641 N GLN 80 41.699 10.723 11.223 1.00 0.00 ATOM 642 CA GLN 80 41.585 11.631 12.383 1.00 0.00 ATOM 643 CB GLN 80 41.039 10.911 13.584 1.00 0.00 ATOM 644 CG GLN 80 39.720 10.253 13.367 1.00 0.00 ATOM 645 CD GLN 80 39.085 9.788 14.683 1.00 0.00 ATOM 646 OE1 GLN 80 39.007 10.545 15.636 1.00 0.00 ATOM 647 NE2 GLN 80 38.611 8.544 14.709 1.00 0.00 ATOM 648 O GLN 80 43.997 11.524 12.686 1.00 0.00 ATOM 649 C GLN 80 42.946 12.205 12.765 1.00 0.00 ATOM 650 N ILE 81 42.918 13.461 13.190 1.00 0.00 ATOM 651 CA ILE 81 44.084 14.139 13.696 1.00 0.00 ATOM 652 CB ILE 81 44.087 15.641 13.271 1.00 0.00 ATOM 653 CG1 ILE 81 44.250 15.726 11.745 1.00 0.00 ATOM 654 CG2 ILE 81 45.209 16.417 13.971 1.00 0.00 ATOM 655 CD1 ILE 81 43.941 17.075 11.178 1.00 0.00 ATOM 656 O ILE 81 43.106 14.372 15.864 1.00 0.00 ATOM 657 C ILE 81 44.039 13.940 15.207 1.00 0.00 ATOM 658 N LEU 82 45.044 13.254 15.737 1.00 0.00 ATOM 659 CA LEU 82 45.099 12.938 17.149 1.00 0.00 ATOM 660 CB LEU 82 45.851 11.637 17.366 1.00 0.00 ATOM 661 CG LEU 82 45.327 10.471 16.551 1.00 0.00 ATOM 662 CD1 LEU 82 46.251 9.277 16.712 1.00 0.00 ATOM 663 CD2 LEU 82 43.887 10.191 16.953 1.00 0.00 ATOM 664 O LEU 82 45.564 14.155 19.130 1.00 0.00 ATOM 665 C LEU 82 45.780 14.035 17.935 1.00 0.00 ATOM 666 N GLY 83 46.586 14.853 17.266 1.00 0.00 ATOM 667 CA GLY 83 47.422 15.836 17.980 1.00 0.00 ATOM 668 O GLY 83 48.661 15.884 15.957 1.00 0.00 ATOM 669 C GLY 83 48.431 16.433 17.023 1.00 0.00 ATOM 670 N PHE 84 48.990 17.590 17.368 1.00 0.00 ATOM 671 CA PHE 84 50.085 18.154 16.602 1.00 0.00 ATOM 672 CB PHE 84 49.599 18.777 15.284 1.00 0.00 ATOM 673 CG PHE 84 48.720 19.979 15.450 1.00 0.00 ATOM 674 CD1 PHE 84 49.264 21.246 15.555 1.00 0.00 ATOM 675 CD2 PHE 84 47.342 19.846 15.474 1.00 0.00 ATOM 676 CE1 PHE 84 48.437 22.355 15.672 1.00 0.00 ATOM 677 CE2 PHE 84 46.513 20.943 15.621 1.00 0.00 ATOM 678 CZ PHE 84 47.052 22.197 15.699 1.00 0.00 ATOM 679 O PHE 84 50.282 19.650 18.440 1.00 0.00 ATOM 680 C PHE 84 50.831 19.151 17.451 1.00 0.00 ATOM 681 N ASP 85 52.094 19.408 17.102 1.00 0.00 ATOM 682 CA ASP 85 52.848 20.431 17.812 1.00 0.00 ATOM 683 CB ASP 85 53.900 19.809 18.739 1.00 0.00 ATOM 684 CG ASP 85 54.934 18.958 18.012 1.00 0.00 ATOM 685 OD1 ASP 85 55.164 19.131 16.783 1.00 0.00 ATOM 686 OD2 ASP 85 55.543 18.121 18.705 1.00 0.00 ATOM 687 O ASP 85 52.789 21.581 15.763 1.00 0.00 ATOM 688 C ASP 85 53.390 21.412 16.804 1.00 0.00 ATOM 689 N ARG 86 54.503 22.069 17.092 1.00 0.00 ATOM 690 CA ARG 86 55.044 23.065 16.170 1.00 0.00 ATOM 691 CB ARG 86 56.225 23.807 16.809 1.00 0.00 ATOM 692 CG ARG 86 55.821 24.648 18.012 1.00 0.00 ATOM 693 CD ARG 86 56.964 25.531 18.543 1.00 0.00 ATOM 694 O ARG 86 55.401 23.158 13.835 1.00 0.00 ATOM 695 C ARG 86 55.451 22.472 14.821 1.00 0.00 ATOM 696 N LYS 87 55.858 21.204 14.777 1.00 0.00 ATOM 697 CA LYS 87 56.321 20.614 13.525 1.00 0.00 ATOM 698 CB LYS 87 57.827 20.788 13.394 1.00 0.00 ATOM 699 CG LYS 87 58.631 20.052 14.411 1.00 0.00 ATOM 700 CD LYS 87 60.065 20.627 14.499 1.00 0.00 ATOM 701 CE LYS 87 61.028 19.605 15.098 1.00 0.00 ATOM 702 NZ LYS 87 62.483 19.981 15.117 1.00 0.00 ATOM 703 O LYS 87 56.361 18.582 12.239 1.00 0.00 ATOM 704 C LYS 87 55.955 19.146 13.274 1.00 0.00 ATOM 705 N ARG 88 55.176 18.550 14.167 1.00 0.00 ATOM 706 CA ARG 88 54.781 17.142 14.032 1.00 0.00 ATOM 707 CB ARG 88 55.342 16.289 15.187 1.00 0.00 ATOM 708 CG ARG 88 56.826 15.914 15.030 1.00 0.00 ATOM 709 CD ARG 88 57.456 15.532 16.364 1.00 0.00 ATOM 710 NE ARG 88 57.552 16.732 17.159 1.00 0.00 ATOM 711 CZ ARG 88 58.626 17.508 17.245 1.00 0.00 ATOM 712 NH1 ARG 88 59.770 17.179 16.650 1.00 0.00 ATOM 713 NH2 ARG 88 58.549 18.616 17.962 1.00 0.00 ATOM 714 O ARG 88 52.580 17.769 14.582 1.00 0.00 ATOM 715 C ARG 88 53.275 17.004 13.979 1.00 0.00 ATOM 716 N LEU 89 52.797 16.047 13.182 1.00 0.00 ATOM 717 CA LEU 89 51.387 15.731 13.117 1.00 0.00 ATOM 718 CB LEU 89 50.896 15.963 11.690 1.00 0.00 ATOM 719 CG LEU 89 49.408 15.836 11.402 1.00 0.00 ATOM 720 CD1 LEU 89 48.560 16.765 12.268 1.00 0.00 ATOM 721 CD2 LEU 89 49.162 16.089 9.900 1.00 0.00 ATOM 722 O LEU 89 51.899 13.397 13.133 1.00 0.00 ATOM 723 C LEU 89 51.179 14.278 13.565 1.00 0.00 ATOM 724 N HIS 90 50.215 14.059 14.460 1.00 0.00 ATOM 725 CA HIS 90 49.892 12.716 14.960 1.00 0.00 ATOM 726 CB HIS 90 49.884 12.757 16.483 1.00 0.00 ATOM 727 CG HIS 90 49.748 11.423 17.144 1.00 0.00 ATOM 728 CD2 HIS 90 49.873 10.160 16.667 1.00 0.00 ATOM 729 ND1 HIS 90 49.450 11.299 18.482 1.00 0.00 ATOM 730 CE1 HIS 90 49.408 10.016 18.804 1.00 0.00 ATOM 731 NE2 HIS 90 49.663 9.305 17.721 1.00 0.00 ATOM 732 O HIS 90 47.540 13.013 14.572 1.00 0.00 ATOM 733 C HIS 90 48.539 12.341 14.337 1.00 0.00 ATOM 734 N VAL 91 48.526 11.312 13.497 1.00 0.00 ATOM 735 CA VAL 91 47.343 10.957 12.717 1.00 0.00 ATOM 736 CB VAL 91 47.527 11.316 11.218 1.00 0.00 ATOM 737 CG1 VAL 91 47.817 12.803 11.087 1.00 0.00 ATOM 738 CG2 VAL 91 48.640 10.507 10.605 1.00 0.00 ATOM 739 O VAL 91 47.777 8.643 13.174 1.00 0.00 ATOM 740 C VAL 91 46.962 9.480 12.811 1.00 0.00 ATOM 741 N TYR 92 45.704 9.193 12.491 1.00 0.00 ATOM 742 CA TYR 92 45.171 7.845 12.579 1.00 0.00 ATOM 743 CB TYR 92 44.282 7.709 13.836 1.00 0.00 ATOM 744 CG TYR 92 43.663 6.331 14.064 1.00 0.00 ATOM 745 CD1 TYR 92 44.376 5.340 14.680 1.00 0.00 ATOM 746 CD2 TYR 92 42.358 6.056 13.703 1.00 0.00 ATOM 747 CE1 TYR 92 43.839 4.095 14.921 1.00 0.00 ATOM 748 CE2 TYR 92 41.794 4.811 13.928 1.00 0.00 ATOM 749 CZ TYR 92 42.557 3.826 14.543 1.00 0.00 ATOM 750 OH TYR 92 42.048 2.588 14.852 1.00 0.00 ATOM 751 O TYR 92 43.429 8.428 11.107 1.00 0.00 ATOM 752 C TYR 92 44.335 7.637 11.349 1.00 0.00 ATOM 753 N HIS 93 44.705 6.650 10.527 1.00 0.00 ATOM 754 CA HIS 93 43.951 6.272 9.351 1.00 0.00 ATOM 755 CB HIS 93 44.873 6.091 8.133 1.00 0.00 ATOM 756 CG HIS 93 45.559 7.331 7.662 1.00 0.00 ATOM 757 CD2 HIS 93 46.876 7.598 7.501 1.00 0.00 ATOM 758 ND1 HIS 93 44.880 8.456 7.232 1.00 0.00 ATOM 759 CE1 HIS 93 45.756 9.363 6.844 1.00 0.00 ATOM 760 NE2 HIS 93 46.970 8.851 6.955 1.00 0.00 ATOM 761 O HIS 93 43.849 4.061 10.273 1.00 0.00 ATOM 762 C HIS 93 43.280 4.932 9.600 1.00 0.00 ATOM 763 N SER 94 42.071 4.765 9.079 1.00 0.00 ATOM 764 CA SER 94 41.391 3.488 9.093 1.00 0.00 ATOM 765 CB SER 94 40.290 3.435 10.165 1.00 0.00 ATOM 766 OG SER 94 39.324 4.484 9.978 1.00 0.00 ATOM 767 O SER 94 40.596 4.107 6.880 1.00 0.00 ATOM 768 C SER 94 40.870 3.192 7.673 1.00 0.00 ATOM 769 N LEU 95 40.824 1.914 7.332 1.00 0.00 ATOM 770 CA LEU 95 40.434 1.479 5.996 1.00 0.00 ATOM 771 CB LEU 95 41.452 0.519 5.382 1.00 0.00 ATOM 772 CG LEU 95 41.303 0.193 3.878 1.00 0.00 ATOM 773 CD1 LEU 95 41.611 1.368 2.968 1.00 0.00 ATOM 774 CD2 LEU 95 42.152 -1.015 3.516 1.00 0.00 ATOM 775 O LEU 95 38.837 0.023 6.973 1.00 0.00 ATOM 776 C LEU 95 39.089 0.809 6.072 1.00 0.00 ATOM 777 N HIS 96 38.238 1.095 5.082 1.00 0.00 ATOM 778 CA HIS 96 36.826 0.697 5.117 1.00 0.00 ATOM 779 CB HIS 96 35.948 1.894 5.555 1.00 0.00 ATOM 780 CG HIS 96 36.365 2.507 6.860 1.00 0.00 ATOM 781 CD2 HIS 96 37.400 3.321 7.164 1.00 0.00 ATOM 782 ND1 HIS 96 35.678 2.304 8.035 1.00 0.00 ATOM 783 CE1 HIS 96 36.297 2.935 9.018 1.00 0.00 ATOM 784 NE2 HIS 96 37.354 3.556 8.516 1.00 0.00 ATOM 785 O HIS 96 36.920 0.635 2.703 1.00 0.00 ATOM 786 C HIS 96 36.341 0.252 3.744 1.00 0.00 ATOM 787 N ARG 97 35.249 -0.521 3.761 1.00 0.00 ATOM 788 CA ARG 97 34.488 -0.874 2.556 1.00 0.00 ATOM 789 CB ARG 97 34.899 -2.231 2.004 1.00 0.00 ATOM 790 CG ARG 97 34.538 -3.428 2.865 1.00 0.00 ATOM 791 CD ARG 97 35.029 -4.703 2.178 1.00 0.00 ATOM 792 NE ARG 97 34.715 -5.937 2.903 1.00 0.00 ATOM 793 CZ ARG 97 33.536 -6.550 2.924 1.00 0.00 ATOM 794 NH1 ARG 97 32.481 -6.059 2.286 1.00 0.00 ATOM 795 NH2 ARG 97 33.401 -7.673 3.610 1.00 0.00 ATOM 796 O ARG 97 32.613 -1.025 4.026 1.00 0.00 ATOM 797 C ARG 97 33.002 -0.889 2.868 1.00 0.00 ATOM 798 N ALA 98 32.177 -0.739 1.830 1.00 0.00 ATOM 799 CA ALA 98 30.710 -0.732 2.009 1.00 0.00 ATOM 800 CB ALA 98 30.012 -0.336 0.697 1.00 0.00 ATOM 801 O ALA 98 30.717 -3.139 2.048 1.00 0.00 ATOM 802 C ALA 98 30.207 -2.087 2.472 1.00 0.00 ATOM 803 N GLY 99 29.225 -2.060 3.361 1.00 0.00 ATOM 804 CA GLY 99 28.523 -3.278 3.763 1.00 0.00 ATOM 805 O GLY 99 28.828 -5.265 5.040 1.00 0.00 ATOM 806 C GLY 99 29.235 -4.125 4.789 1.00 0.00 ATOM 807 N PHE 100 30.303 -3.579 5.377 1.00 0.00 ATOM 808 CA PHE 100 31.070 -4.283 6.400 1.00 0.00 ATOM 809 CB PHE 100 32.329 -4.889 5.767 1.00 0.00 ATOM 810 CG PHE 100 33.120 -5.754 6.701 1.00 0.00 ATOM 811 CD1 PHE 100 32.650 -7.017 7.057 1.00 0.00 ATOM 812 CD2 PHE 100 34.327 -5.305 7.236 1.00 0.00 ATOM 813 CE1 PHE 100 33.377 -7.819 7.910 1.00 0.00 ATOM 814 CE2 PHE 100 35.062 -6.103 8.099 1.00 0.00 ATOM 815 CZ PHE 100 34.587 -7.359 8.438 1.00 0.00 ATOM 816 O PHE 100 32.211 -2.349 7.119 1.00 0.00 ATOM 817 C PHE 100 31.448 -3.240 7.421 1.00 0.00 ATOM 818 N ASP 101 30.892 -3.324 8.619 1.00 0.00 ATOM 819 CA ASP 101 30.977 -2.218 9.555 1.00 0.00 ATOM 820 CB ASP 101 29.583 -1.843 10.115 1.00 0.00 ATOM 821 CG ASP 101 28.909 -2.975 10.860 1.00 0.00 ATOM 822 OD1 ASP 101 29.124 -4.159 10.484 1.00 0.00 ATOM 823 OD2 ASP 101 28.149 -2.679 11.818 1.00 0.00 ATOM 824 O ASP 101 31.634 -2.267 11.848 1.00 0.00 ATOM 825 C ASP 101 31.974 -2.446 10.676 1.00 0.00 ATOM 826 N GLU 102 33.175 -2.900 10.319 1.00 0.00 ATOM 827 CA GLU 102 34.363 -2.787 11.180 1.00 0.00 ATOM 828 CB GLU 102 34.607 -4.054 11.994 1.00 0.00 ATOM 829 CG GLU 102 34.867 -5.343 11.219 1.00 0.00 ATOM 830 CD GLU 102 34.980 -6.592 12.135 1.00 0.00 ATOM 831 OE1 GLU 102 33.904 -7.109 12.558 1.00 0.00 ATOM 832 OE2 GLU 102 36.138 -7.067 12.397 1.00 0.00 ATOM 833 O GLU 102 35.537 -2.625 9.075 1.00 0.00 ATOM 834 C GLU 102 35.571 -2.447 10.306 1.00 0.00 ATOM 835 N VAL 103 36.633 -1.925 10.901 1.00 0.00 ATOM 836 CA VAL 103 37.754 -1.543 10.069 1.00 0.00 ATOM 837 CB VAL 103 38.762 -0.606 10.763 1.00 0.00 ATOM 838 CG1 VAL 103 38.058 0.680 11.199 1.00 0.00 ATOM 839 CG2 VAL 103 39.460 -1.304 11.929 1.00 0.00 ATOM 840 O VAL 103 38.561 -3.818 10.127 1.00 0.00 ATOM 841 C VAL 103 38.459 -2.776 9.491 1.00 0.00 ATOM 842 N LEU 104 38.943 -2.612 8.266 1.00 0.00 ATOM 843 CA LEU 104 39.766 -3.589 7.595 1.00 0.00 ATOM 844 CB LEU 104 39.730 -3.322 6.085 1.00 0.00 ATOM 845 CG LEU 104 38.336 -3.270 5.444 1.00 0.00 ATOM 846 CD1 LEU 104 38.431 -2.962 3.976 1.00 0.00 ATOM 847 CD2 LEU 104 37.656 -4.605 5.666 1.00 0.00 ATOM 848 O LEU 104 41.915 -4.559 8.047 1.00 0.00 ATOM 849 C LEU 104 41.204 -3.537 8.062 1.00 0.00 ATOM 850 N ALA 105 41.656 -2.315 8.335 1.00 0.00 ATOM 851 CA ALA 105 42.993 -2.028 8.845 1.00 0.00 ATOM 852 CB ALA 105 44.009 -2.077 7.723 1.00 0.00 ATOM 853 O ALA 105 42.096 0.165 9.112 1.00 0.00 ATOM 854 C ALA 105 42.977 -0.629 9.431 1.00 0.00 ATOM 855 N ALA 106 43.948 -0.345 10.284 1.00 0.00 ATOM 856 CA ALA 106 44.109 0.977 10.928 1.00 0.00 ATOM 857 CB ALA 106 43.343 0.999 12.252 1.00 0.00 ATOM 858 O ALA 106 46.404 0.311 11.317 1.00 0.00 ATOM 859 C ALA 106 45.603 1.257 11.136 1.00 0.00 ATOM 860 N SER 107 46.001 2.529 11.115 1.00 0.00 ATOM 861 CA SER 107 47.392 2.888 11.318 1.00 0.00 ATOM 862 CB SER 107 48.094 3.077 9.956 1.00 0.00 ATOM 863 OG SER 107 49.465 3.331 10.165 1.00 0.00 ATOM 864 O SER 107 46.889 5.168 11.655 1.00 0.00 ATOM 865 C SER 107 47.503 4.180 12.060 1.00 0.00 ATOM 866 N GLU 108 48.324 4.177 13.116 1.00 0.00 ATOM 867 CA GLU 108 48.680 5.356 13.873 1.00 0.00 ATOM 868 CB GLU 108 48.807 4.973 15.364 1.00 0.00 ATOM 869 CG GLU 108 48.988 6.171 16.283 1.00 0.00 ATOM 870 CD GLU 108 49.332 5.786 17.708 1.00 0.00 ATOM 871 OE1 GLU 108 49.449 4.565 17.994 1.00 0.00 ATOM 872 OE2 GLU 108 49.469 6.710 18.548 1.00 0.00 ATOM 873 O GLU 108 50.921 4.979 13.235 1.00 0.00 ATOM 874 C GLU 108 50.030 5.804 13.363 1.00 0.00 ATOM 875 N GLN 109 50.198 7.095 13.071 1.00 0.00 ATOM 876 CA GLN 109 51.432 7.574 12.500 1.00 0.00 ATOM 877 CB GLN 109 51.286 7.782 10.990 1.00 0.00 ATOM 878 CG GLN 109 50.497 6.683 10.328 1.00 0.00 ATOM 879 CD GLN 109 50.693 6.666 8.858 1.00 0.00 ATOM 880 OE1 GLN 109 51.027 7.681 8.256 1.00 0.00 ATOM 881 NE2 GLN 109 50.477 5.517 8.260 1.00 0.00 ATOM 882 O GLN 109 50.977 9.691 13.460 1.00 0.00 ATOM 883 C GLN 109 51.831 8.888 13.072 1.00 0.00 ATOM 884 N MET 110 53.135 9.106 13.086 1.00 0.00 ATOM 885 CA MET 110 53.708 10.396 13.437 1.00 0.00 ATOM 886 CB MET 110 54.605 10.256 14.675 1.00 0.00 ATOM 887 CG MET 110 55.218 11.571 15.126 1.00 0.00 ATOM 888 SD MET 110 53.898 12.700 15.947 1.00 0.00 ATOM 889 CE MET 110 53.575 11.672 17.562 1.00 0.00 ATOM 890 O MET 110 55.372 10.219 11.723 1.00 0.00 ATOM 891 C MET 110 54.516 10.916 12.249 1.00 0.00 ATOM 892 N LEU 111 54.244 12.148 11.848 1.00 0.00 ATOM 893 CA LEU 111 54.848 12.745 10.654 1.00 0.00 ATOM 894 CB LEU 111 53.755 13.010 9.623 1.00 0.00 ATOM 895 CG LEU 111 52.785 11.868 9.279 1.00 0.00 ATOM 896 CD1 LEU 111 51.403 12.359 9.217 1.00 0.00 ATOM 897 CD2 LEU 111 53.183 11.264 7.920 1.00 0.00 ATOM 898 O LEU 111 55.043 14.739 11.941 1.00 0.00 ATOM 899 C LEU 111 55.524 14.057 11.048 1.00 0.00 ATOM 900 N LEU 112 56.663 14.340 10.419 1.00 0.00 ATOM 901 CA LEU 112 57.489 15.520 10.662 1.00 0.00 ATOM 902 CB LEU 112 58.961 15.106 10.853 1.00 0.00 ATOM 903 CG LEU 112 59.988 16.234 11.048 1.00 0.00 ATOM 904 CD1 LEU 112 59.696 17.000 12.310 1.00 0.00 ATOM 905 CD2 LEU 112 61.403 15.702 11.086 1.00 0.00 ATOM 906 O LEU 112 57.600 16.001 8.314 1.00 0.00 ATOM 907 C LEU 112 57.409 16.448 9.467 1.00 0.00 ATOM 908 N HIS 113 57.139 17.730 9.731 1.00 0.00 ATOM 909 CA HIS 113 57.164 18.736 8.680 1.00 0.00 ATOM 910 CB HIS 113 56.268 19.934 9.025 1.00 0.00 ATOM 911 CG HIS 113 56.149 20.965 7.933 1.00 0.00 ATOM 912 CD2 HIS 113 55.913 20.850 6.600 1.00 0.00 ATOM 913 ND1 HIS 113 56.231 22.315 8.187 1.00 0.00 ATOM 914 CE1 HIS 113 56.080 22.988 7.052 1.00 0.00 ATOM 915 NE2 HIS 113 55.883 22.125 6.075 1.00 0.00 ATOM 916 O HIS 113 59.273 19.566 9.437 1.00 0.00 ATOM 917 C HIS 113 58.607 19.155 8.495 1.00 0.00 ATOM 918 N VAL 114 59.084 19.056 7.271 1.00 0.00 ATOM 919 CA VAL 114 60.504 19.264 6.984 1.00 0.00 ATOM 920 CB VAL 114 61.189 18.001 6.374 1.00 0.00 ATOM 921 CG1 VAL 114 61.015 16.820 7.277 1.00 0.00 ATOM 922 CG2 VAL 114 60.653 17.677 5.005 1.00 0.00 ATOM 923 O VAL 114 59.910 20.687 5.173 1.00 0.00 ATOM 924 C VAL 114 60.695 20.457 6.064 1.00 0.00 ATOM 925 N ASP 115 61.754 21.207 6.302 1.00 0.00 ATOM 926 CA ASP 115 62.156 22.315 5.444 1.00 0.00 ATOM 927 CB ASP 115 63.137 23.211 6.209 1.00 0.00 ATOM 928 CG ASP 115 63.498 24.482 5.448 1.00 0.00 ATOM 929 OD1 ASP 115 62.576 25.185 4.986 1.00 0.00 ATOM 930 OD2 ASP 115 64.707 24.786 5.330 1.00 0.00 ATOM 931 O ASP 115 63.870 21.135 4.289 1.00 0.00 ATOM 932 C ASP 115 62.840 21.784 4.192 1.00 0.00 ATOM 933 N LEU 116 62.271 22.072 3.024 1.00 0.00 ATOM 934 CA LEU 116 62.912 21.779 1.735 1.00 0.00 ATOM 935 CB LEU 116 64.169 22.637 1.533 1.00 0.00 ATOM 936 CG LEU 116 63.916 24.144 1.612 1.00 0.00 ATOM 937 CD1 LEU 116 65.240 24.904 1.516 1.00 0.00 ATOM 938 CD2 LEU 116 62.892 24.598 0.544 1.00 0.00 ATOM 939 O LEU 116 62.381 19.500 1.448 1.00 0.00 ATOM 940 C LEU 116 63.274 20.317 1.595 1.00 0.00 ATOM 941 N GLN 120 65.788 17.988 8.319 1.00 0.00 ATOM 942 CA GLN 120 65.734 19.395 8.777 1.00 0.00 ATOM 943 CB GLN 120 66.585 20.317 7.876 1.00 0.00 ATOM 944 CG GLN 120 66.399 21.817 8.162 1.00 0.00 ATOM 945 O GLN 120 63.673 20.033 7.741 1.00 0.00 ATOM 946 C GLN 120 64.286 19.897 8.793 1.00 0.00 ATOM 947 N SER 121 63.755 20.194 9.978 1.00 0.00 ATOM 948 CA SER 121 62.327 20.488 10.134 1.00 0.00 ATOM 949 CB SER 121 61.817 19.829 11.411 1.00 0.00 ATOM 950 OG SER 121 62.558 20.271 12.538 1.00 0.00 ATOM 951 O SER 121 62.821 22.857 10.223 1.00 0.00 ATOM 952 C SER 121 61.958 21.990 10.104 1.00 0.00 ATOM 953 N ALA 122 60.654 22.252 9.944 1.00 0.00 ATOM 954 CA ALA 122 60.092 23.601 9.765 1.00 0.00 ATOM 955 CB ALA 122 59.818 23.857 8.268 1.00 0.00 ATOM 956 O ALA 122 57.936 22.815 10.507 1.00 0.00 ATOM 957 C ALA 122 58.771 23.744 10.547 1.00 0.00 ATOM 958 N PRO 123 58.553 24.908 11.216 1.00 0.00 ATOM 959 CA PRO 123 57.288 25.115 11.937 1.00 0.00 ATOM 960 CB PRO 123 57.521 26.413 12.709 1.00 0.00 ATOM 961 CG PRO 123 58.602 27.115 11.959 1.00 0.00 ATOM 962 CD PRO 123 59.462 26.069 11.349 1.00 0.00 ATOM 963 O PRO 123 56.157 25.647 9.858 1.00 0.00 ATOM 964 C PRO 123 56.041 25.239 11.028 1.00 0.00 ATOM 965 N PHE 124 54.874 24.864 11.568 1.00 0.00 ATOM 966 CA PHE 124 53.578 25.108 10.916 1.00 0.00 ATOM 967 CB PHE 124 52.468 24.236 11.515 1.00 0.00 ATOM 968 CG PHE 124 52.658 22.770 11.278 1.00 0.00 ATOM 969 CD1 PHE 124 52.885 22.283 10.003 1.00 0.00 ATOM 970 CD2 PHE 124 52.612 21.879 12.327 1.00 0.00 ATOM 971 CE1 PHE 124 53.071 20.933 9.771 1.00 0.00 ATOM 972 CE2 PHE 124 52.789 20.528 12.115 1.00 0.00 ATOM 973 CZ PHE 124 53.021 20.056 10.816 1.00 0.00 ATOM 974 O PHE 124 53.218 27.082 12.205 1.00 0.00 ATOM 975 C PHE 124 53.174 26.557 11.095 1.00 0.00 ATOM 976 N GLY 125 52.760 27.202 10.015 1.00 0.00 ATOM 977 CA GLY 125 52.330 28.586 10.113 1.00 0.00 ATOM 978 O GLY 125 50.142 27.754 10.695 1.00 0.00 ATOM 979 C GLY 125 50.918 28.722 10.681 1.00 0.00 ATOM 980 N HIS 126 50.578 29.942 11.094 1.00 0.00 ATOM 981 CA HIS 126 49.283 30.262 11.685 1.00 0.00 ATOM 982 CB HIS 126 49.121 31.780 11.858 1.00 0.00 ATOM 983 CG HIS 126 47.794 32.182 12.438 1.00 0.00 ATOM 984 CD2 HIS 126 47.363 32.250 13.723 1.00 0.00 ATOM 985 ND1 HIS 126 46.714 32.548 11.656 1.00 0.00 ATOM 986 CE1 HIS 126 45.683 32.835 12.434 1.00 0.00 ATOM 987 NE2 HIS 126 46.051 32.663 13.692 1.00 0.00 ATOM 988 O HIS 126 47.162 29.186 11.531 1.00 0.00 ATOM 989 C HIS 126 48.075 29.705 10.924 1.00 0.00 ATOM 990 N THR 127 48.089 29.813 9.605 1.00 0.00 ATOM 991 CA THR 127 47.003 29.337 8.760 1.00 0.00 ATOM 992 CB THR 127 47.258 29.770 7.296 1.00 0.00 ATOM 993 CG2 THR 127 46.138 29.357 6.403 1.00 0.00 ATOM 994 OG1 THR 127 47.367 31.197 7.233 1.00 0.00 ATOM 995 O THR 127 45.714 27.315 8.837 1.00 0.00 ATOM 996 C THR 127 46.831 27.819 8.799 1.00 0.00 ATOM 997 N THR 128 47.948 27.091 8.757 1.00 0.00 ATOM 998 CA THR 128 47.949 25.644 8.886 1.00 0.00 ATOM 999 CB THR 128 49.404 25.043 8.767 1.00 0.00 ATOM 1000 CG2 THR 128 49.396 23.553 8.930 1.00 0.00 ATOM 1001 OG1 THR 128 49.945 25.337 7.481 1.00 0.00 ATOM 1002 O THR 128 46.521 24.307 10.266 1.00 0.00 ATOM 1003 C THR 128 47.341 25.225 10.222 1.00 0.00 ATOM 1004 N VAL 129 47.782 25.856 11.308 1.00 0.00 ATOM 1005 CA VAL 129 47.255 25.544 12.627 1.00 0.00 ATOM 1006 CB VAL 129 47.911 26.379 13.726 1.00 0.00 ATOM 1007 CG1 VAL 129 47.212 26.167 15.045 1.00 0.00 ATOM 1008 CG2 VAL 129 49.389 26.021 13.867 1.00 0.00 ATOM 1009 O VAL 129 45.010 24.968 13.297 1.00 0.00 ATOM 1010 C VAL 129 45.746 25.760 12.687 1.00 0.00 ATOM 1011 N CYS 130 45.293 26.862 12.104 1.00 0.00 ATOM 1012 CA CYS 130 43.861 27.150 12.084 1.00 0.00 ATOM 1013 CB CYS 130 43.572 28.550 11.528 1.00 0.00 ATOM 1014 SG CYS 130 44.067 29.871 12.664 1.00 0.00 ATOM 1015 O CYS 130 42.042 25.643 11.773 1.00 0.00 ATOM 1016 C CYS 130 43.088 26.086 11.317 1.00 0.00 ATOM 1017 N ARG 131 43.605 25.632 10.176 1.00 0.00 ATOM 1018 CA ARG 131 42.913 24.565 9.427 1.00 0.00 ATOM 1019 CB ARG 131 43.488 24.440 8.020 1.00 0.00 ATOM 1020 CG ARG 131 43.341 25.733 7.248 1.00 0.00 ATOM 1021 CD ARG 131 44.041 25.721 5.878 1.00 0.00 ATOM 1022 NE ARG 131 43.862 27.028 5.255 1.00 0.00 ATOM 1023 CZ ARG 131 44.546 27.494 4.220 1.00 0.00 ATOM 1024 NH1 ARG 131 45.508 26.787 3.665 1.00 0.00 ATOM 1025 NH2 ARG 131 44.289 28.706 3.768 1.00 0.00 ATOM 1026 O ARG 131 41.961 22.485 10.211 1.00 0.00 ATOM 1027 C ARG 131 42.950 23.214 10.180 1.00 0.00 ATOM 1028 N LEU 132 44.073 22.904 10.819 1.00 0.00 ATOM 1029 CA LEU 132 44.167 21.711 11.647 1.00 0.00 ATOM 1030 CB LEU 132 45.609 21.540 12.182 1.00 0.00 ATOM 1031 CG LEU 132 46.655 21.122 11.142 1.00 0.00 ATOM 1032 CD1 LEU 132 48.069 21.180 11.693 1.00 0.00 ATOM 1033 CD2 LEU 132 46.367 19.748 10.591 1.00 0.00 ATOM 1034 O LEU 132 42.505 20.771 13.123 1.00 0.00 ATOM 1035 C LEU 132 43.178 21.755 12.824 1.00 0.00 ATOM 1036 N ASN 133 43.089 22.895 13.490 1.00 0.00 ATOM 1037 CA ASN 133 42.122 23.039 14.592 1.00 0.00 ATOM 1038 CB ASN 133 42.292 24.373 15.288 1.00 0.00 ATOM 1039 CG ASN 133 43.569 24.459 16.119 1.00 0.00 ATOM 1040 ND2 ASN 133 44.074 25.661 16.280 1.00 0.00 ATOM 1041 OD1 ASN 133 44.057 23.473 16.636 1.00 0.00 ATOM 1042 O ASN 133 39.838 22.298 14.786 1.00 0.00 ATOM 1043 C ASN 133 40.677 22.890 14.100 1.00 0.00 ATOM 1044 N HIS 134 40.388 23.431 12.917 1.00 0.00 ATOM 1045 CA HIS 134 39.044 23.308 12.299 1.00 0.00 ATOM 1046 CB HIS 134 39.038 24.058 10.973 1.00 0.00 ATOM 1047 CG HIS 134 37.721 24.032 10.260 1.00 0.00 ATOM 1048 CD2 HIS 134 37.332 23.420 9.116 1.00 0.00 ATOM 1049 ND1 HIS 134 36.616 24.709 10.726 1.00 0.00 ATOM 1050 CE1 HIS 134 35.598 24.504 9.910 1.00 0.00 ATOM 1051 NE2 HIS 134 36.005 23.734 8.921 1.00 0.00 ATOM 1052 O HIS 134 37.570 21.375 12.496 1.00 0.00 ATOM 1053 C HIS 134 38.657 21.830 12.099 1.00 0.00 ATOM 1054 N LEU 135 39.565 21.070 11.501 1.00 0.00 ATOM 1055 CA LEU 135 39.351 19.623 11.287 1.00 0.00 ATOM 1056 CB LEU 135 40.518 19.019 10.509 1.00 0.00 ATOM 1057 CG LEU 135 40.509 19.263 9.004 1.00 0.00 ATOM 1058 CD1 LEU 135 41.740 18.629 8.413 1.00 0.00 ATOM 1059 CD2 LEU 135 39.251 18.673 8.385 1.00 0.00 ATOM 1060 O LEU 135 38.297 17.995 12.700 1.00 0.00 ATOM 1061 C LEU 135 39.168 18.853 12.577 1.00 0.00 ATOM 1062 N VAL 136 40.022 19.138 13.535 1.00 0.00 ATOM 1063 CA VAL 136 39.918 18.544 14.872 1.00 0.00 ATOM 1064 CB VAL 136 41.086 19.028 15.753 1.00 0.00 ATOM 1065 CG1 VAL 136 40.896 18.667 17.238 1.00 0.00 ATOM 1066 CG2 VAL 136 42.418 18.436 15.202 1.00 0.00 ATOM 1067 O VAL 136 37.933 17.885 16.066 1.00 0.00 ATOM 1068 C VAL 136 38.554 18.809 15.524 1.00 0.00 ATOM 1069 N GLU 137 38.090 20.063 15.458 1.00 0.00 ATOM 1070 CA GLU 137 36.783 20.449 16.021 1.00 0.00 ATOM 1071 CB GLU 137 36.505 21.940 15.777 1.00 0.00 ATOM 1072 CG GLU 137 37.363 22.908 16.629 1.00 0.00 ATOM 1073 CD GLU 137 37.327 24.386 16.150 1.00 0.00 ATOM 1074 OE1 GLU 137 36.242 24.871 15.720 1.00 0.00 ATOM 1075 OE2 GLU 137 38.386 25.064 16.223 1.00 0.00 ATOM 1076 O GLU 137 34.658 19.310 16.107 1.00 0.00 ATOM 1077 C GLU 137 35.642 19.628 15.425 1.00 0.00 ATOM 1078 N GLN 138 35.772 19.296 14.146 1.00 0.00 ATOM 1079 CA GLN 138 34.799 18.461 13.452 1.00 0.00 ATOM 1080 CB GLN 138 34.974 18.615 11.935 1.00 0.00 ATOM 1081 CG GLN 138 34.665 19.994 11.401 1.00 0.00 ATOM 1082 CD GLN 138 34.912 20.087 9.902 1.00 0.00 ATOM 1083 OE1 GLN 138 35.840 19.490 9.382 1.00 0.00 ATOM 1084 NE2 GLN 138 34.083 20.857 9.215 1.00 0.00 ATOM 1085 O GLN 138 34.053 16.190 13.282 1.00 0.00 ATOM 1086 C GLN 138 34.855 16.962 13.822 1.00 0.00 ATOM 1087 N GLN 139 35.784 16.553 14.701 1.00 0.00 ATOM 1088 CA GLN 139 35.894 15.155 15.217 1.00 0.00 ATOM 1089 CB GLN 139 37.359 14.789 15.507 1.00 0.00 ATOM 1090 CG GLN 139 38.207 14.849 14.263 1.00 0.00 ATOM 1091 CD GLN 139 39.692 14.574 14.458 1.00 0.00 ATOM 1092 OE1 GLN 139 40.402 14.499 13.477 1.00 0.00 ATOM 1093 NE2 GLN 139 40.168 14.457 15.702 1.00 0.00 ATOM 1094 O GLN 139 35.213 13.683 16.994 1.00 0.00 ATOM 1095 C GLN 139 35.071 14.791 16.466 1.00 0.00 ATOM 1096 N GLU 140 34.230 15.687 16.950 1.00 0.00 ATOM 1097 CA GLU 140 33.415 15.372 18.136 1.00 0.00 ATOM 1098 CB GLU 140 32.576 16.583 18.572 1.00 0.00 ATOM 1099 CG GLU 140 33.415 17.798 19.030 1.00 0.00 ATOM 1100 CD GLU 140 34.465 17.449 20.085 1.00 0.00 ATOM 1101 OE1 GLU 140 34.105 16.847 21.132 1.00 0.00 ATOM 1102 OE2 GLU 140 35.652 17.787 19.861 1.00 0.00 ATOM 1103 O GLU 140 32.301 13.388 18.896 1.00 0.00 ATOM 1104 C GLU 140 32.530 14.129 17.946 1.00 0.00 ATOM 1105 N GLY 141 32.076 13.866 16.724 1.00 0.00 ATOM 1106 CA GLY 141 31.224 12.696 16.456 1.00 0.00 ATOM 1107 O GLY 141 31.312 10.350 15.986 1.00 0.00 ATOM 1108 C GLY 141 31.938 11.410 16.065 1.00 0.00 ATOM 1109 N ALA 142 33.242 11.492 15.806 1.00 0.00 ATOM 1110 CA ALA 142 33.984 10.362 15.245 1.00 0.00 ATOM 1111 CB ALA 142 35.376 10.817 14.778 1.00 0.00 ATOM 1112 O ALA 142 34.147 9.404 17.454 1.00 0.00 ATOM 1113 C ALA 142 34.114 9.204 16.239 1.00 0.00 ATOM 1114 N GLN 143 34.174 7.990 15.700 1.00 0.00 ATOM 1115 CA GLN 143 34.454 6.818 16.509 1.00 0.00 ATOM 1116 CB GLN 143 34.293 5.557 15.653 1.00 0.00 ATOM 1117 CG GLN 143 34.457 4.242 16.422 1.00 0.00 ATOM 1118 CD GLN 143 33.284 3.316 16.189 1.00 0.00 ATOM 1119 OE1 GLN 143 32.164 3.606 16.625 1.00 0.00 ATOM 1120 NE2 GLN 143 33.524 2.208 15.490 1.00 0.00 ATOM 1121 O GLN 143 36.815 7.188 16.317 1.00 0.00 ATOM 1122 C GLN 143 35.881 6.913 17.068 1.00 0.00 ATOM 1123 N ALA 144 36.050 6.684 18.368 1.00 0.00 ATOM 1124 CA ALA 144 37.381 6.774 18.992 1.00 0.00 ATOM 1125 CB ALA 144 37.298 6.535 20.504 1.00 0.00 ATOM 1126 O ALA 144 38.043 4.667 17.993 1.00 0.00 ATOM 1127 C ALA 144 38.390 5.796 18.352 1.00 0.00 ATOM 1128 N PRO 145 39.633 6.244 18.163 1.00 0.00 ATOM 1129 CA PRO 145 40.619 5.370 17.538 1.00 0.00 ATOM 1130 CB PRO 145 41.843 6.281 17.380 1.00 0.00 ATOM 1131 CG PRO 145 41.269 7.670 17.385 1.00 0.00 ATOM 1132 CD PRO 145 40.205 7.574 18.430 1.00 0.00 ATOM 1133 O PRO 145 41.360 4.285 19.556 1.00 0.00 ATOM 1134 C PRO 145 40.926 4.160 18.406 1.00 0.00 ATOM 1135 N GLN 146 40.672 2.987 17.862 1.00 0.00 ATOM 1136 CA GLN 146 40.863 1.776 18.631 1.00 0.00 ATOM 1137 CB GLN 146 40.001 0.680 18.037 1.00 0.00 ATOM 1138 CG GLN 146 40.018 -0.589 18.835 1.00 0.00 ATOM 1139 CD GLN 146 39.090 -1.627 18.261 1.00 0.00 ATOM 1140 OE1 GLN 146 38.299 -1.334 17.356 1.00 0.00 ATOM 1141 NE2 GLN 146 39.185 -2.858 18.774 1.00 0.00 ATOM 1142 O GLN 146 42.809 0.953 19.780 1.00 0.00 ATOM 1143 C GLN 146 42.334 1.337 18.713 1.00 0.00 ATOM 1144 N TYR 147 43.039 1.416 17.591 1.00 0.00 ATOM 1145 CA TYR 147 44.374 0.814 17.435 1.00 0.00 ATOM 1146 CB TYR 147 44.463 0.121 16.060 1.00 0.00 ATOM 1147 CG TYR 147 43.453 -1.005 15.986 1.00 0.00 ATOM 1148 CD1 TYR 147 43.754 -2.267 16.458 1.00 0.00 ATOM 1149 CD2 TYR 147 42.177 -0.788 15.487 1.00 0.00 ATOM 1150 CE1 TYR 147 42.814 -3.286 16.434 1.00 0.00 ATOM 1151 CE2 TYR 147 41.239 -1.815 15.438 1.00 0.00 ATOM 1152 CZ TYR 147 41.567 -3.041 15.931 1.00 0.00 ATOM 1153 OH TYR 147 40.638 -4.021 15.888 1.00 0.00 ATOM 1154 O TYR 147 46.138 2.348 16.736 1.00 0.00 ATOM 1155 C TYR 147 45.466 1.862 17.662 1.00 0.00 ATOM 1156 N MET 148 45.610 2.195 18.940 1.00 0.00 ATOM 1157 CA MET 148 46.497 3.222 19.422 1.00 0.00 ATOM 1158 CB MET 148 45.679 4.254 20.183 1.00 0.00 ATOM 1159 CG MET 148 44.678 4.892 19.330 1.00 0.00 ATOM 1160 SD MET 148 45.595 6.323 18.534 1.00 0.00 ATOM 1161 CE MET 148 44.944 7.546 20.064 1.00 0.00 ATOM 1162 O MET 148 46.966 1.779 21.198 1.00 0.00 ATOM 1163 C MET 148 47.406 2.613 20.430 1.00 0.00 ATOM 1164 N GLY 149 48.644 3.091 20.493 1.00 0.00 ATOM 1165 CA GLY 149 49.584 2.639 21.502 1.00 0.00 ATOM 1166 O GLY 149 50.128 0.521 22.448 1.00 0.00 ATOM 1167 C GLY 149 49.816 1.144 21.441 1.00 0.00 ATOM 1168 N ARG 150 49.704 0.552 20.250 1.00 0.00 ATOM 1169 CA ARG 150 49.788 -0.903 20.139 1.00 0.00 ATOM 1170 CB ARG 150 49.058 -1.378 18.864 1.00 0.00 ATOM 1171 CG ARG 150 47.561 -1.124 18.890 1.00 0.00 ATOM 1172 CD ARG 150 46.984 -1.862 20.052 1.00 0.00 ATOM 1173 NE ARG 150 45.538 -1.818 20.149 1.00 0.00 ATOM 1174 CZ ARG 150 44.727 -2.864 20.003 1.00 0.00 ATOM 1175 NH1 ARG 150 45.201 -4.072 19.699 1.00 0.00 ATOM 1176 NH2 ARG 150 43.421 -2.682 20.146 1.00 0.00 ATOM 1177 O ARG 150 52.148 -0.766 19.638 1.00 0.00 ATOM 1178 C ARG 150 51.234 -1.420 20.150 1.00 0.00 ATOM 1179 N THR 151 51.417 -2.604 20.737 1.00 0.00 ATOM 1180 CA THR 151 52.708 -3.287 20.755 1.00 0.00 ATOM 1181 CB THR 151 53.446 -3.175 22.133 1.00 0.00 ATOM 1182 CG2 THR 151 53.815 -1.730 22.465 1.00 0.00 ATOM 1183 OG1 THR 151 52.623 -3.705 23.178 1.00 0.00 ATOM 1184 O THR 151 51.438 -5.331 20.625 1.00 0.00 ATOM 1185 C THR 151 52.506 -4.763 20.418 1.00 0.00 ATOM 1186 N ILE 152 53.548 -5.366 19.860 1.00 0.00 ATOM 1187 CA ILE 152 53.482 -6.689 19.280 1.00 0.00 ATOM 1188 CB ILE 152 54.402 -6.778 18.040 1.00 0.00 ATOM 1189 CG1 ILE 152 53.830 -5.935 16.893 1.00 0.00 ATOM 1190 CG2 ILE 152 54.555 -8.197 17.599 1.00 0.00 ATOM 1191 CD1 ILE 152 54.870 -5.497 15.839 1.00 0.00 ATOM 1192 O ILE 152 54.929 -7.438 21.002 1.00 0.00 ATOM 1193 C ILE 152 53.949 -7.684 20.305 1.00 0.00 ATOM 1194 N LYS 153 53.270 -8.822 20.368 1.00 0.00 ATOM 1195 CA LYS 153 53.688 -9.940 21.218 1.00 0.00 ATOM 1196 CB LYS 153 53.241 -9.696 22.656 1.00 0.00 ATOM 1197 CG LYS 153 51.728 -9.656 22.822 1.00 0.00 ATOM 1198 O LYS 153 51.898 -11.201 20.295 1.00 0.00 ATOM 1199 C LYS 153 53.050 -11.222 20.732 1.00 0.00 ATOM 1200 N LEU 154 53.771 -12.336 20.821 1.00 0.00 ATOM 1201 CA LEU 154 53.164 -13.655 20.553 1.00 0.00 ATOM 1202 CB LEU 154 54.220 -14.768 20.441 1.00 0.00 ATOM 1203 CG LEU 154 55.226 -14.749 19.287 1.00 0.00 ATOM 1204 CD1 LEU 154 56.341 -15.720 19.529 1.00 0.00 ATOM 1205 CD2 LEU 154 54.549 -15.068 17.968 1.00 0.00 ATOM 1206 O LEU 154 52.428 -13.617 22.837 1.00 0.00 ATOM 1207 C LEU 154 52.181 -13.985 21.691 1.00 0.00 ATOM 1208 N PRO 155 51.060 -14.661 21.377 1.00 0.00 ATOM 1209 CA PRO 155 50.150 -15.078 22.449 1.00 0.00 ATOM 1210 CB PRO 155 49.010 -15.788 21.701 1.00 0.00 ATOM 1211 CG PRO 155 49.567 -16.162 20.399 1.00 0.00 ATOM 1212 CD PRO 155 50.575 -15.094 20.056 1.00 0.00 ATOM 1213 O PRO 155 51.701 -16.809 22.924 1.00 0.00 ATOM 1214 C PRO 155 50.869 -16.034 23.381 1.00 0.00 ATOM 1215 N ALA 156 50.567 -15.974 24.672 1.00 0.00 ATOM 1216 CA ALA 156 51.384 -16.666 25.673 1.00 0.00 ATOM 1217 CB ALA 156 51.020 -16.192 27.043 1.00 0.00 ATOM 1218 O ALA 156 52.199 -18.892 26.069 1.00 0.00 ATOM 1219 C ALA 156 51.290 -18.194 25.594 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1617172187.pdb -s /var/tmp/to_scwrl_1617172187.seq -o /var/tmp/from_scwrl_1617172187.pdb > /var/tmp/scwrl_1617172187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617172187.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 140 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -70.098 # GDT_score(maxd=8.000,maxw=2.900)= -71.696 # GDT_score(maxd=8.000,maxw=3.200)= -69.183 # GDT_score(maxd=8.000,maxw=3.500)= -66.631 # GDT_score(maxd=10.000,maxw=3.800)= -68.641 # GDT_score(maxd=10.000,maxw=4.000)= -66.924 # GDT_score(maxd=10.000,maxw=4.200)= -65.097 # GDT_score(maxd=12.000,maxw=4.300)= -68.044 # GDT_score(maxd=12.000,maxw=4.500)= -66.239 # GDT_score(maxd=12.000,maxw=4.700)= -64.355 # GDT_score(maxd=14.000,maxw=5.200)= -63.217 # GDT_score(maxd=14.000,maxw=5.500)= -60.460 # command:# request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1681995762.pdb -s /var/tmp/to_scwrl_1681995762.seq -o /var/tmp/from_scwrl_1681995762.pdb > /var/tmp/scwrl_1681995762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681995762.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 118 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -70.588 # GDT_score(maxd=8.000,maxw=2.900)= -72.348 # GDT_score(maxd=8.000,maxw=3.200)= -69.909 # GDT_score(maxd=8.000,maxw=3.500)= -67.392 # GDT_score(maxd=10.000,maxw=3.800)= -69.489 # GDT_score(maxd=10.000,maxw=4.000)= -67.699 # GDT_score(maxd=10.000,maxw=4.200)= -65.849 # GDT_score(maxd=12.000,maxw=4.300)= -68.954 # GDT_score(maxd=12.000,maxw=4.500)= -67.140 # GDT_score(maxd=12.000,maxw=4.700)= -65.304 # GDT_score(maxd=14.000,maxw=5.200)= -64.178 # GDT_score(maxd=14.000,maxw=5.500)= -61.453 # command:# request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1927967155.pdb -s /var/tmp/to_scwrl_1927967155.seq -o /var/tmp/from_scwrl_1927967155.pdb > /var/tmp/scwrl_1927967155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1927967155.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 141 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -69.608 # GDT_score(maxd=8.000,maxw=2.900)= -71.822 # GDT_score(maxd=8.000,maxw=3.200)= -69.257 # GDT_score(maxd=8.000,maxw=3.500)= -66.620 # GDT_score(maxd=10.000,maxw=3.800)= -68.714 # GDT_score(maxd=10.000,maxw=4.000)= -66.917 # GDT_score(maxd=10.000,maxw=4.200)= -65.029 # GDT_score(maxd=12.000,maxw=4.300)= -68.050 # GDT_score(maxd=12.000,maxw=4.500)= -66.186 # GDT_score(maxd=12.000,maxw=4.700)= -64.257 # GDT_score(maxd=14.000,maxw=5.200)= -62.903 # GDT_score(maxd=14.000,maxw=5.500)= -60.102 # command:# request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_671282746.pdb -s /var/tmp/to_scwrl_671282746.seq -o /var/tmp/from_scwrl_671282746.pdb > /var/tmp/scwrl_671282746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671282746.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 153 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -70.588 # GDT_score(maxd=8.000,maxw=2.900)= -72.256 # GDT_score(maxd=8.000,maxw=3.200)= -69.746 # GDT_score(maxd=8.000,maxw=3.500)= -67.226 # GDT_score(maxd=10.000,maxw=3.800)= -69.251 # GDT_score(maxd=10.000,maxw=4.000)= -67.493 # GDT_score(maxd=10.000,maxw=4.200)= -65.654 # GDT_score(maxd=12.000,maxw=4.300)= -68.640 # GDT_score(maxd=12.000,maxw=4.500)= -66.828 # GDT_score(maxd=12.000,maxw=4.700)= -65.016 # GDT_score(maxd=14.000,maxw=5.200)= -63.672 # GDT_score(maxd=14.000,maxw=5.500)= -60.896 # command:# request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1933671241.pdb -s /var/tmp/to_scwrl_1933671241.seq -o /var/tmp/from_scwrl_1933671241.pdb > /var/tmp/scwrl_1933671241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933671241.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 T0364.try1-opt2.pdb looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -70.915 # GDT_score(maxd=8.000,maxw=2.900)= -72.764 # GDT_score(maxd=8.000,maxw=3.200)= -70.252 # GDT_score(maxd=8.000,maxw=3.500)= -67.613 # GDT_score(maxd=10.000,maxw=3.800)= -69.839 # GDT_score(maxd=10.000,maxw=4.000)= -68.015 # GDT_score(maxd=10.000,maxw=4.200)= -66.071 # GDT_score(maxd=12.000,maxw=4.300)= -69.298 # GDT_score(maxd=12.000,maxw=4.500)= -67.385 # GDT_score(maxd=12.000,maxw=4.700)= -65.466 # GDT_score(maxd=14.000,maxw=5.200)= -64.298 # GDT_score(maxd=14.000,maxw=5.500)= -61.468 # command:# Prefix for output files set to # command:EXPDTA T0364.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0364.try1-opt2.pdb ATOM 1 N MET A 1 41.395 13.961 15.689 1.00 0.00 ATOM 2 CA MET A 1 40.448 15.073 15.727 1.00 0.00 ATOM 3 CB MET A 1 40.870 16.158 14.716 1.00 0.00 ATOM 4 CG MET A 1 42.228 16.760 14.980 1.00 0.00 ATOM 5 SD MET A 1 42.393 17.606 16.535 1.00 0.00 ATOM 6 CE MET A 1 43.208 16.400 17.603 1.00 0.00 ATOM 7 O MET A 1 38.843 13.575 14.765 1.00 0.00 ATOM 8 C MET A 1 39.036 14.583 15.441 1.00 0.00 ATOM 9 N PRO A 2 38.029 15.315 15.930 1.00 0.00 ATOM 10 CA PRO A 2 36.632 14.934 15.694 1.00 0.00 ATOM 11 CB PRO A 2 35.831 15.963 16.542 1.00 0.00 ATOM 12 CG PRO A 2 36.815 16.412 17.581 1.00 0.00 ATOM 13 CD PRO A 2 38.161 16.343 16.967 1.00 0.00 ATOM 14 O PRO A 2 35.406 14.090 13.803 1.00 0.00 ATOM 15 C PRO A 2 36.276 14.868 14.209 1.00 0.00 ATOM 16 N ALA A 3 36.907 15.665 13.377 1.00 0.00 ATOM 17 CA ALA A 3 36.611 15.673 11.947 1.00 0.00 ATOM 18 CB ALA A 3 37.197 16.950 11.338 1.00 0.00 ATOM 19 O ALA A 3 38.389 14.185 11.306 1.00 0.00 ATOM 20 C ALA A 3 37.188 14.426 11.259 1.00 0.00 ATOM 21 N LEU A 4 36.331 13.632 10.595 1.00 0.00 ATOM 22 CA LEU A 4 36.784 12.418 9.914 1.00 0.00 ATOM 23 CB LEU A 4 35.977 11.199 10.444 1.00 0.00 ATOM 24 CG LEU A 4 36.196 9.863 9.726 1.00 0.00 ATOM 25 CD1 LEU A 4 37.574 9.310 10.059 1.00 0.00 ATOM 26 CD2 LEU A 4 35.115 8.885 10.146 1.00 0.00 ATOM 27 O LEU A 4 35.744 12.800 7.781 1.00 0.00 ATOM 28 C LEU A 4 36.789 12.588 8.395 1.00 0.00 ATOM 29 N ILE A 5 37.972 12.482 7.796 1.00 0.00 ATOM 30 CA ILE A 5 38.119 12.616 6.353 1.00 0.00 ATOM 31 CB ILE A 5 39.454 13.289 5.980 1.00 0.00 ATOM 32 CG1 ILE A 5 39.560 14.664 6.641 1.00 0.00 ATOM 33 CG2 ILE A 5 39.556 13.468 4.474 1.00 0.00 ATOM 34 CD1 ILE A 5 38.468 15.627 6.228 1.00 0.00 ATOM 35 O ILE A 5 38.707 10.294 6.214 1.00 0.00 ATOM 36 C ILE A 5 38.080 11.230 5.716 1.00 0.00 ATOM 37 N THR A 6 37.315 11.089 4.639 1.00 0.00 ATOM 38 CA THR A 6 37.195 9.803 3.954 1.00 0.00 ATOM 39 CB THR A 6 35.728 9.337 3.890 1.00 0.00 ATOM 40 CG2 THR A 6 35.146 9.219 5.290 1.00 0.00 ATOM 41 OG1 THR A 6 34.954 10.286 3.145 1.00 0.00 ATOM 42 O THR A 6 37.058 10.641 1.727 1.00 0.00 ATOM 43 C THR A 6 37.598 9.833 2.494 1.00 0.00 ATOM 44 N TYR A 7 38.451 8.726 2.089 1.00 0.00 ATOM 45 CA TYR A 7 38.902 8.588 0.712 1.00 0.00 ATOM 46 CB TYR A 7 40.127 8.946 0.413 1.00 0.00 ATOM 47 CG TYR A 7 39.969 10.348 -0.059 1.00 0.00 ATOM 48 CD1 TYR A 7 39.639 10.627 -1.387 1.00 0.00 ATOM 49 CD2 TYR A 7 40.106 11.417 0.839 1.00 0.00 ATOM 50 CE1 TYR A 7 39.435 11.936 -1.823 1.00 0.00 ATOM 51 CE2 TYR A 7 39.887 12.738 0.425 1.00 0.00 ATOM 52 CZ TYR A 7 39.555 12.989 -0.894 1.00 0.00 ATOM 53 OH TYR A 7 39.334 14.283 -1.299 1.00 0.00 ATOM 54 O TYR A 7 39.101 6.200 0.762 1.00 0.00 ATOM 55 C TYR A 7 38.700 7.184 0.149 1.00 0.00 ATOM 56 N ARG A 8 38.056 7.074 -1.022 1.00 0.00 ATOM 57 CA ARG A 8 37.820 5.763 -1.634 1.00 0.00 ATOM 58 CB ARG A 8 36.763 5.844 -2.759 1.00 0.00 ATOM 59 CG ARG A 8 35.442 6.514 -2.413 1.00 0.00 ATOM 60 CD ARG A 8 35.322 7.941 -2.918 1.00 0.00 ATOM 61 NE ARG A 8 35.272 8.055 -4.387 1.00 0.00 ATOM 62 CZ ARG A 8 34.152 8.180 -5.099 1.00 0.00 ATOM 63 NH1 ARG A 8 32.966 8.151 -4.495 1.00 0.00 ATOM 64 NH2 ARG A 8 34.216 8.328 -6.427 1.00 0.00 ATOM 65 O ARG A 8 39.697 6.085 -3.095 1.00 0.00 ATOM 66 C ARG A 8 39.020 5.285 -2.450 1.00 0.00 ATOM 67 N THR A 9 39.273 3.979 -2.405 1.00 0.00 ATOM 68 CA THR A 9 40.367 3.363 -3.156 1.00 0.00 ATOM 69 CB THR A 9 41.594 3.142 -2.252 1.00 0.00 ATOM 70 CG2 THR A 9 42.744 2.547 -3.051 1.00 0.00 ATOM 71 OG1 THR A 9 42.014 4.394 -1.698 1.00 0.00 ATOM 72 O THR A 9 39.421 1.156 -2.984 1.00 0.00 ATOM 73 C THR A 9 39.928 2.004 -3.717 1.00 0.00 ATOM 74 N THR A 10 40.138 1.822 -5.003 1.00 0.00 ATOM 75 CA THR A 10 39.771 0.574 -5.671 1.00 0.00 ATOM 76 CB THR A 10 39.228 0.814 -7.092 1.00 0.00 ATOM 77 CG2 THR A 10 38.910 -0.509 -7.772 1.00 0.00 ATOM 78 OG1 THR A 10 38.031 1.599 -7.023 1.00 0.00 ATOM 79 O THR A 10 42.110 0.246 -6.109 1.00 0.00 ATOM 80 C THR A 10 41.041 -0.271 -5.761 1.00 0.00 ATOM 81 N VAL A 11 40.915 -1.563 -5.470 1.00 0.00 ATOM 82 CA VAL A 11 42.054 -2.482 -5.515 1.00 0.00 ATOM 83 CB VAL A 11 41.860 -3.662 -4.545 1.00 0.00 ATOM 84 CG1 VAL A 11 43.031 -4.627 -4.639 1.00 0.00 ATOM 85 CG2 VAL A 11 41.762 -3.163 -3.111 1.00 0.00 ATOM 86 O VAL A 11 41.337 -3.695 -7.455 1.00 0.00 ATOM 87 C VAL A 11 42.248 -3.073 -6.906 1.00 0.00 ATOM 88 N GLN A 12 43.439 -2.877 -7.467 1.00 0.00 ATOM 89 CA GLN A 12 43.782 -3.384 -8.799 1.00 0.00 ATOM 90 CB GLN A 12 44.343 -2.253 -9.664 1.00 0.00 ATOM 91 CG GLN A 12 43.383 -1.089 -9.861 1.00 0.00 ATOM 92 CD GLN A 12 42.130 -1.490 -10.613 1.00 0.00 ATOM 93 OE1 GLN A 12 42.199 -2.171 -11.636 1.00 0.00 ATOM 94 NE2 GLN A 12 40.977 -1.066 -10.108 1.00 0.00 ATOM 95 O GLN A 12 45.345 -4.739 -7.594 1.00 0.00 ATOM 96 C GLN A 12 44.821 -4.496 -8.679 1.00 0.00 ATOM 97 N GLU A 13 45.114 -5.172 -9.786 1.00 0.00 ATOM 98 CA GLU A 13 46.097 -6.255 -9.753 1.00 0.00 ATOM 99 CB GLU A 13 46.362 -6.780 -11.168 1.00 0.00 ATOM 100 CG GLU A 13 47.342 -7.940 -11.224 1.00 0.00 ATOM 101 CD GLU A 13 47.532 -8.473 -12.631 1.00 0.00 ATOM 102 OE1 GLU A 13 46.878 -7.949 -13.557 1.00 0.00 ATOM 103 OE2 GLU A 13 48.332 -9.414 -12.807 1.00 0.00 ATOM 104 O GLU A 13 48.104 -6.536 -8.446 1.00 0.00 ATOM 105 C GLU A 13 47.439 -5.797 -9.181 1.00 0.00 ATOM 106 N ASP A 14 47.832 -4.570 -9.503 1.00 0.00 ATOM 107 CA ASP A 14 49.102 -4.017 -9.022 1.00 0.00 ATOM 108 CB ASP A 14 49.277 -2.577 -9.506 1.00 0.00 ATOM 109 CG ASP A 14 49.584 -2.494 -10.989 1.00 0.00 ATOM 110 OD1 ASP A 14 49.885 -3.545 -11.593 1.00 0.00 ATOM 111 OD2 ASP A 14 49.524 -1.379 -11.547 1.00 0.00 ATOM 112 O ASP A 14 50.323 -3.961 -6.950 1.00 0.00 ATOM 113 C ASP A 14 49.216 -3.987 -7.493 1.00 0.00 ATOM 114 N TRP A 15 48.073 -3.966 -6.808 1.00 0.00 ATOM 115 CA TRP A 15 48.030 -3.898 -5.345 1.00 0.00 ATOM 116 CB TRP A 15 46.777 -3.153 -4.878 1.00 0.00 ATOM 117 CG TRP A 15 46.754 -1.710 -5.282 1.00 0.00 ATOM 118 CD1 TRP A 15 46.079 -1.164 -6.334 1.00 0.00 ATOM 119 CD2 TRP A 15 47.438 -0.627 -4.639 1.00 0.00 ATOM 120 CE2 TRP A 15 47.131 0.545 -5.355 1.00 0.00 ATOM 121 CE3 TRP A 15 48.279 -0.535 -3.526 1.00 0.00 ATOM 122 NE1 TRP A 15 46.298 0.192 -6.388 1.00 0.00 ATOM 123 CZ2 TRP A 15 47.635 1.795 -4.997 1.00 0.00 ATOM 124 CZ3 TRP A 15 48.776 0.706 -3.174 1.00 0.00 ATOM 125 CH2 TRP A 15 48.455 1.855 -3.904 1.00 0.00 ATOM 126 O TRP A 15 48.166 -5.361 -3.466 1.00 0.00 ATOM 127 C TRP A 15 47.970 -5.263 -4.675 1.00 0.00 ATOM 128 N VAL A 16 47.728 -6.319 -5.443 1.00 0.00 ATOM 129 CA VAL A 16 47.647 -7.668 -4.884 1.00 0.00 ATOM 130 CB VAL A 16 46.537 -8.476 -5.581 1.00 0.00 ATOM 131 CG1 VAL A 16 45.183 -7.814 -5.371 1.00 0.00 ATOM 132 CG2 VAL A 16 46.802 -8.564 -7.076 1.00 0.00 ATOM 133 O VAL A 16 49.825 -8.062 -5.805 1.00 0.00 ATOM 134 C VAL A 16 48.939 -8.462 -5.052 1.00 0.00 ATOM 135 N ASP A 17 49.071 -9.582 -4.203 1.00 0.00 ATOM 136 CA ASP A 17 50.214 -10.489 -4.293 1.00 0.00 ATOM 137 CB ASP A 17 51.001 -10.490 -2.981 1.00 0.00 ATOM 138 CG ASP A 17 50.183 -11.001 -1.811 1.00 0.00 ATOM 139 OD1 ASP A 17 49.065 -11.509 -2.044 1.00 0.00 ATOM 140 OD2 ASP A 17 50.657 -10.893 -0.662 1.00 0.00 ATOM 141 O ASP A 17 48.612 -12.123 -4.984 1.00 0.00 ATOM 142 C ASP A 17 49.776 -11.894 -4.672 1.00 0.00 ATOM 143 N TYR A 18 50.666 -12.835 -4.694 1.00 0.00 ATOM 144 CA TYR A 18 50.383 -14.214 -5.083 1.00 0.00 ATOM 145 CB TYR A 18 51.664 -15.050 -5.114 1.00 0.00 ATOM 146 CG TYR A 18 51.452 -16.481 -5.552 1.00 0.00 ATOM 147 CD1 TYR A 18 51.309 -16.800 -6.896 1.00 0.00 ATOM 148 CD2 TYR A 18 51.395 -17.509 -4.619 1.00 0.00 ATOM 149 CE1 TYR A 18 51.115 -18.107 -7.305 1.00 0.00 ATOM 150 CE2 TYR A 18 51.200 -18.820 -5.010 1.00 0.00 ATOM 151 CZ TYR A 18 51.060 -19.113 -6.366 1.00 0.00 ATOM 152 OH TYR A 18 50.866 -20.413 -6.771 1.00 0.00 ATOM 153 O TYR A 18 48.685 -15.765 -4.364 1.00 0.00 ATOM 154 C TYR A 18 49.425 -14.821 -4.059 1.00 0.00 ATOM 155 N ASN A 19 49.444 -14.266 -2.744 1.00 0.00 ATOM 156 CA ASN A 19 48.598 -14.806 -1.705 1.00 0.00 ATOM 157 CB ASN A 19 48.889 -14.144 -0.356 1.00 0.00 ATOM 158 CG ASN A 19 50.218 -14.577 0.232 1.00 0.00 ATOM 159 ND2 ASN A 19 50.731 -13.792 1.172 1.00 0.00 ATOM 160 OD1 ASN A 19 50.772 -15.604 -0.156 1.00 0.00 ATOM 161 O ASN A 19 46.252 -15.204 -1.396 1.00 0.00 ATOM 162 C ASN A 19 47.128 -14.597 -2.019 1.00 0.00 ATOM 163 N GLY A 20 46.856 -13.730 -2.990 1.00 0.00 ATOM 164 CA GLY A 20 45.487 -13.463 -3.395 1.00 0.00 ATOM 165 O GLY A 20 43.682 -11.972 -2.935 1.00 0.00 ATOM 166 C GLY A 20 44.855 -12.269 -2.703 1.00 0.00 ATOM 167 N HIS A 21 45.599 -11.547 -1.903 1.00 0.00 ATOM 168 CA HIS A 21 45.067 -10.391 -1.193 1.00 0.00 ATOM 169 CB HIS A 21 44.972 -10.717 0.299 1.00 0.00 ATOM 170 CG HIS A 21 44.042 -11.845 0.612 1.00 0.00 ATOM 171 CD2 HIS A 21 44.193 -13.258 0.928 1.00 0.00 ATOM 172 ND1 HIS A 21 42.673 -11.691 0.657 1.00 0.00 ATOM 173 CE1 HIS A 21 42.109 -12.874 0.962 1.00 0.00 ATOM 174 NE2 HIS A 21 43.015 -13.819 1.125 1.00 0.00 ATOM 175 O HIS A 21 47.053 -9.281 -1.962 1.00 0.00 ATOM 176 C HIS A 21 45.986 -9.174 -1.359 1.00 0.00 ATOM 177 N LEU A 22 45.583 -8.030 -0.815 1.00 0.00 ATOM 178 CA LEU A 22 46.404 -6.818 -0.923 1.00 0.00 ATOM 179 CB LEU A 22 45.653 -5.612 -0.354 1.00 0.00 ATOM 180 CG LEU A 22 44.394 -5.179 -1.108 1.00 0.00 ATOM 181 CD1 LEU A 22 43.682 -4.058 -0.367 1.00 0.00 ATOM 182 CD2 LEU A 22 44.748 -4.678 -2.500 1.00 0.00 ATOM 183 O LEU A 22 47.702 -7.320 1.025 1.00 0.00 ATOM 184 C LEU A 22 47.698 -6.919 -0.141 1.00 0.00 ATOM 185 N ARG A 23 48.841 -6.595 -0.820 1.00 0.00 ATOM 186 CA ARG A 23 50.150 -6.661 -0.150 1.00 0.00 ATOM 187 CB ARG A 23 51.292 -6.456 -1.168 1.00 0.00 ATOM 188 CG ARG A 23 51.744 -7.623 -2.024 1.00 0.00 ATOM 189 CD ARG A 23 53.013 -7.196 -2.766 1.00 0.00 ATOM 190 NE ARG A 23 53.616 -8.269 -3.549 1.00 0.00 ATOM 191 CZ ARG A 23 53.188 -8.663 -4.743 1.00 0.00 ATOM 192 NH1 ARG A 23 52.142 -8.066 -5.303 1.00 0.00 ATOM 193 NH2 ARG A 23 53.801 -9.654 -5.379 1.00 0.00 ATOM 194 O ARG A 23 49.691 -4.578 0.922 1.00 0.00 ATOM 195 C ARG A 23 50.169 -5.702 1.040 1.00 0.00 ATOM 196 N ASP A 24 50.748 -6.110 2.172 1.00 0.00 ATOM 197 CA ASP A 24 50.711 -5.232 3.342 1.00 0.00 ATOM 198 CB ASP A 24 51.469 -5.863 4.511 1.00 0.00 ATOM 199 CG ASP A 24 50.707 -7.008 5.150 1.00 0.00 ATOM 200 OD1 ASP A 24 49.505 -7.163 4.847 1.00 0.00 ATOM 201 OD2 ASP A 24 51.312 -7.750 5.952 1.00 0.00 ATOM 202 O ASP A 24 50.894 -2.876 3.648 1.00 0.00 ATOM 203 C ASP A 24 51.341 -3.867 3.109 1.00 0.00 ATOM 204 N ALA A 25 52.396 -3.758 2.332 1.00 0.00 ATOM 205 CA ALA A 25 52.987 -2.456 2.055 1.00 0.00 ATOM 206 CB ALA A 25 54.322 -2.634 1.348 1.00 0.00 ATOM 207 O ALA A 25 52.252 -0.329 1.224 1.00 0.00 ATOM 208 C ALA A 25 52.099 -1.552 1.203 1.00 0.00 ATOM 209 N PHE A 26 51.178 -2.147 0.451 1.00 0.00 ATOM 210 CA PHE A 26 50.283 -1.357 -0.388 1.00 0.00 ATOM 211 CB PHE A 26 49.511 -2.206 -1.352 1.00 0.00 ATOM 212 CG PHE A 26 50.385 -2.878 -2.391 1.00 0.00 ATOM 213 CD1 PHE A 26 50.256 -4.225 -2.694 1.00 0.00 ATOM 214 CD2 PHE A 26 51.323 -2.133 -3.101 1.00 0.00 ATOM 215 CE1 PHE A 26 51.022 -4.836 -3.651 1.00 0.00 ATOM 216 CE2 PHE A 26 52.137 -2.752 -4.046 1.00 0.00 ATOM 217 CZ PHE A 26 51.970 -4.087 -4.348 1.00 0.00 ATOM 218 O PHE A 26 49.038 0.626 0.120 1.00 0.00 ATOM 219 C PHE A 26 49.350 -0.513 0.468 1.00 0.00 ATOM 220 N TYR A 27 48.903 -1.069 1.590 1.00 0.00 ATOM 221 CA TYR A 27 48.026 -0.326 2.484 1.00 0.00 ATOM 222 CB TYR A 27 47.617 -1.194 3.676 1.00 0.00 ATOM 223 CG TYR A 27 46.719 -2.355 3.308 1.00 0.00 ATOM 224 CD1 TYR A 27 46.077 -2.396 2.078 1.00 0.00 ATOM 225 CD2 TYR A 27 46.518 -3.406 4.195 1.00 0.00 ATOM 226 CE1 TYR A 27 45.255 -3.451 1.735 1.00 0.00 ATOM 227 CE2 TYR A 27 45.700 -4.471 3.868 1.00 0.00 ATOM 228 CZ TYR A 27 45.066 -4.486 2.625 1.00 0.00 ATOM 229 OH TYR A 27 44.249 -5.538 2.285 1.00 0.00 ATOM 230 O TYR A 27 48.157 1.960 3.187 1.00 0.00 ATOM 231 C TYR A 27 48.760 0.909 2.987 1.00 0.00 ATOM 232 N LEU A 28 50.063 0.770 3.220 1.00 0.00 ATOM 233 CA LEU A 28 50.862 1.900 3.690 1.00 0.00 ATOM 234 CB LEU A 28 52.325 1.488 3.859 1.00 0.00 ATOM 235 CG LEU A 28 53.280 2.571 4.365 1.00 0.00 ATOM 236 CD1 LEU A 28 52.865 3.052 5.746 1.00 0.00 ATOM 237 CD2 LEU A 28 54.702 2.035 4.455 1.00 0.00 ATOM 238 O LEU A 28 50.606 4.195 3.016 1.00 0.00 ATOM 239 C LEU A 28 50.768 3.026 2.663 1.00 0.00 ATOM 240 N LEU A 29 50.854 2.675 1.384 1.00 0.00 ATOM 241 CA LEU A 29 50.748 3.678 0.336 1.00 0.00 ATOM 242 CB LEU A 29 51.010 3.052 -1.035 1.00 0.00 ATOM 243 CG LEU A 29 52.444 2.593 -1.307 1.00 0.00 ATOM 244 CD1 LEU A 29 52.526 1.834 -2.621 1.00 0.00 ATOM 245 CD2 LEU A 29 53.384 3.787 -1.389 1.00 0.00 ATOM 246 O LEU A 29 49.189 5.537 0.209 1.00 0.00 ATOM 247 C LEU A 29 49.337 4.306 0.325 1.00 0.00 ATOM 248 N ILE A 30 48.309 3.479 0.485 1.00 0.00 ATOM 249 CA ILE A 30 46.936 3.975 0.572 1.00 0.00 ATOM 250 CB ILE A 30 45.915 2.850 0.819 1.00 0.00 ATOM 251 CG1 ILE A 30 45.868 1.898 -0.378 1.00 0.00 ATOM 252 CG2 ILE A 30 44.524 3.429 1.028 1.00 0.00 ATOM 253 CD1 ILE A 30 45.095 0.625 -0.116 1.00 0.00 ATOM 254 O ILE A 30 46.121 6.026 1.516 1.00 0.00 ATOM 255 C ILE A 30 46.793 5.006 1.687 1.00 0.00 ATOM 256 N PHE A 31 47.408 4.733 2.837 1.00 0.00 ATOM 257 CA PHE A 31 47.342 5.662 3.961 1.00 0.00 ATOM 258 CB PHE A 31 48.084 5.092 5.172 1.00 0.00 ATOM 259 CG PHE A 31 47.405 3.906 5.796 1.00 0.00 ATOM 260 CD1 PHE A 31 46.087 3.609 5.497 1.00 0.00 ATOM 261 CD2 PHE A 31 48.084 3.087 6.680 1.00 0.00 ATOM 262 CE1 PHE A 31 45.462 2.518 6.071 1.00 0.00 ATOM 263 CE2 PHE A 31 47.460 1.996 7.254 1.00 0.00 ATOM 264 CZ PHE A 31 46.154 1.710 6.952 1.00 0.00 ATOM 265 O PHE A 31 47.441 8.056 3.876 1.00 0.00 ATOM 266 C PHE A 31 47.978 6.996 3.567 1.00 0.00 ATOM 267 N SER A 32 49.085 6.908 2.881 1.00 0.00 ATOM 268 CA SER A 32 49.753 8.129 2.438 1.00 0.00 ATOM 269 CB SER A 32 51.054 7.794 1.705 1.00 0.00 ATOM 270 OG SER A 32 51.988 7.184 2.579 1.00 0.00 ATOM 271 O SER A 32 48.757 10.145 1.592 1.00 0.00 ATOM 272 C SER A 32 48.854 8.925 1.489 1.00 0.00 ATOM 273 N TYR A 33 48.199 8.237 0.558 1.00 0.00 ATOM 274 CA TYR A 33 47.303 8.921 -0.373 1.00 0.00 ATOM 275 CB TYR A 33 46.621 7.912 -1.298 1.00 0.00 ATOM 276 CG TYR A 33 45.645 8.535 -2.270 1.00 0.00 ATOM 277 CD1 TYR A 33 46.095 9.181 -3.414 1.00 0.00 ATOM 278 CD2 TYR A 33 44.276 8.473 -2.042 1.00 0.00 ATOM 279 CE1 TYR A 33 45.209 9.754 -4.308 1.00 0.00 ATOM 280 CE2 TYR A 33 43.377 9.040 -2.924 1.00 0.00 ATOM 281 CZ TYR A 33 43.855 9.684 -4.065 1.00 0.00 ATOM 282 OH TYR A 33 42.972 10.252 -4.954 1.00 0.00 ATOM 283 O TYR A 33 45.905 10.820 0.081 1.00 0.00 ATOM 284 C TYR A 33 46.225 9.674 0.398 1.00 0.00 ATOM 285 N ALA A 34 45.686 9.027 1.429 1.00 0.00 ATOM 286 CA ALA A 34 44.624 9.620 2.238 1.00 0.00 ATOM 287 CB ALA A 34 44.144 8.631 3.288 1.00 0.00 ATOM 288 O ALA A 34 44.358 11.898 2.956 1.00 0.00 ATOM 289 C ALA A 34 45.075 10.897 2.943 1.00 0.00 ATOM 290 N THR A 35 46.257 10.858 3.558 1.00 0.00 ATOM 291 CA THR A 35 46.772 12.032 4.250 1.00 0.00 ATOM 292 CB THR A 35 48.116 11.744 4.946 1.00 0.00 ATOM 293 CG2 THR A 35 48.637 12.995 5.637 1.00 0.00 ATOM 294 OG1 THR A 35 47.939 10.712 5.924 1.00 0.00 ATOM 295 O THR A 35 46.699 14.323 3.510 1.00 0.00 ATOM 296 C THR A 35 46.969 13.152 3.229 1.00 0.00 ATOM 297 N ASP A 36 47.427 12.786 2.035 1.00 0.00 ATOM 298 CA ASP A 36 47.634 13.759 0.968 1.00 0.00 ATOM 299 CB ASP A 36 48.264 13.088 -0.253 1.00 0.00 ATOM 300 CG ASP A 36 49.723 12.737 -0.037 1.00 0.00 ATOM 301 OD1 ASP A 36 50.309 13.217 0.956 1.00 0.00 ATOM 302 OD2 ASP A 36 50.280 11.981 -0.860 1.00 0.00 ATOM 303 O ASP A 36 46.205 15.608 0.387 1.00 0.00 ATOM 304 C ASP A 36 46.298 14.387 0.558 1.00 0.00 ATOM 305 N ALA A 37 45.261 13.563 0.422 1.00 0.00 ATOM 306 CA ALA A 37 43.954 14.087 0.030 1.00 0.00 ATOM 307 CB ALA A 37 42.992 12.945 -0.259 1.00 0.00 ATOM 308 O ALA A 37 42.595 15.887 0.830 1.00 0.00 ATOM 309 C ALA A 37 43.344 14.957 1.124 1.00 0.00 ATOM 310 N LEU A 38 43.651 14.651 2.382 1.00 0.00 ATOM 311 CA LEU A 38 43.132 15.459 3.485 1.00 0.00 ATOM 312 CB LEU A 38 43.543 14.856 4.831 1.00 0.00 ATOM 313 CG LEU A 38 43.052 15.590 6.080 1.00 0.00 ATOM 314 CD1 LEU A 38 41.532 15.614 6.127 1.00 0.00 ATOM 315 CD2 LEU A 38 43.556 14.904 7.340 1.00 0.00 ATOM 316 O LEU A 38 43.039 17.870 3.439 1.00 0.00 ATOM 317 C LEU A 38 43.733 16.858 3.321 1.00 0.00 ATOM 318 N MET A 39 45.030 16.907 3.035 1.00 0.00 ATOM 319 CA MET A 39 45.706 18.180 2.829 1.00 0.00 ATOM 320 CB MET A 39 47.164 18.050 2.540 1.00 0.00 ATOM 321 CG MET A 39 48.008 17.702 3.760 1.00 0.00 ATOM 322 SD MET A 39 49.789 17.761 3.388 1.00 0.00 ATOM 323 CE MET A 39 50.030 16.129 2.626 1.00 0.00 ATOM 324 O MET A 39 44.961 20.156 1.691 1.00 0.00 ATOM 325 C MET A 39 45.137 18.945 1.629 1.00 0.00 ATOM 326 N ASP A 40 44.906 18.236 0.532 1.00 0.00 ATOM 327 CA ASP A 40 44.314 18.842 -0.662 1.00 0.00 ATOM 328 CB ASP A 40 44.179 17.810 -1.783 1.00 0.00 ATOM 329 CG ASP A 40 45.515 17.423 -2.385 1.00 0.00 ATOM 330 OD1 ASP A 40 46.516 18.115 -2.101 1.00 0.00 ATOM 331 OD2 ASP A 40 45.564 16.428 -3.138 1.00 0.00 ATOM 332 O ASP A 40 42.542 20.444 -0.936 1.00 0.00 ATOM 333 C ASP A 40 42.931 19.421 -0.370 1.00 0.00 ATOM 334 N ARG A 41 42.195 18.757 0.514 1.00 0.00 ATOM 335 CA ARG A 41 40.855 19.194 0.887 1.00 0.00 ATOM 336 CB ARG A 41 40.212 18.075 1.722 1.00 0.00 ATOM 337 CG ARG A 41 38.798 18.278 2.126 1.00 0.00 ATOM 338 CD ARG A 41 38.209 16.961 2.659 1.00 0.00 ATOM 339 NE ARG A 41 36.817 17.107 3.031 1.00 0.00 ATOM 340 CZ ARG A 41 36.014 16.068 3.290 1.00 0.00 ATOM 341 NH1 ARG A 41 36.488 14.849 3.225 1.00 0.00 ATOM 342 NH2 ARG A 41 34.749 16.260 3.591 1.00 0.00 ATOM 343 O ARG A 41 39.985 21.370 1.427 1.00 0.00 ATOM 344 C ARG A 41 40.932 20.588 1.506 1.00 0.00 ATOM 345 N ILE A 42 42.077 20.889 2.114 1.00 0.00 ATOM 346 CA ILE A 42 42.310 22.182 2.744 1.00 0.00 ATOM 347 CB ILE A 42 42.954 22.034 4.124 1.00 0.00 ATOM 348 CG1 ILE A 42 44.374 21.417 4.166 1.00 0.00 ATOM 349 CG2 ILE A 42 42.003 21.275 5.062 1.00 0.00 ATOM 350 CD1 ILE A 42 45.050 21.672 5.419 1.00 0.00 ATOM 351 O ILE A 42 43.672 24.136 2.310 1.00 0.00 ATOM 352 C ILE A 42 43.134 23.106 1.851 1.00 0.00 ATOM 353 N GLY A 43 43.208 22.740 0.553 1.00 0.00 ATOM 354 CA GLY A 43 43.781 23.611 -0.471 1.00 0.00 ATOM 355 O GLY A 43 45.935 24.580 -0.894 1.00 0.00 ATOM 356 C GLY A 43 45.308 23.629 -0.422 1.00 0.00 ATOM 357 N LEU A 44 45.906 22.582 0.137 1.00 0.00 ATOM 358 CA LEU A 44 47.361 22.495 0.219 1.00 0.00 ATOM 359 CB LEU A 44 47.785 22.090 1.633 1.00 0.00 ATOM 360 CG LEU A 44 49.286 21.907 1.864 1.00 0.00 ATOM 361 CD1 LEU A 44 50.017 23.234 1.728 1.00 0.00 ATOM 362 CD2 LEU A 44 49.552 21.360 3.258 1.00 0.00 ATOM 363 O LEU A 44 47.448 20.324 -0.802 1.00 0.00 ATOM 364 C LEU A 44 47.922 21.458 -0.753 1.00 0.00 ATOM 365 N ASP A 45 48.944 21.858 -1.503 1.00 0.00 ATOM 366 CA ASP A 45 49.604 20.992 -2.478 1.00 0.00 ATOM 367 CB ASP A 45 49.607 21.652 -3.859 1.00 0.00 ATOM 368 CG ASP A 45 50.209 20.760 -4.927 1.00 0.00 ATOM 369 OD1 ASP A 45 50.752 19.693 -4.575 1.00 0.00 ATOM 370 OD2 ASP A 45 50.138 21.131 -6.119 1.00 0.00 ATOM 371 O ASP A 45 51.885 21.625 -2.105 1.00 0.00 ATOM 372 C ASP A 45 51.061 20.717 -2.106 1.00 0.00 ATOM 373 N ALA A 46 51.396 19.471 -1.801 1.00 0.00 ATOM 374 CA ALA A 46 52.762 19.130 -1.431 1.00 0.00 ATOM 375 CB ALA A 46 52.858 17.644 -1.121 1.00 0.00 ATOM 376 O ALA A 46 54.893 19.937 -2.152 1.00 0.00 ATOM 377 C ALA A 46 53.780 19.536 -2.488 1.00 0.00 ATOM 378 N ASP A 47 53.394 19.418 -3.779 1.00 0.00 ATOM 379 CA ASP A 47 54.319 19.800 -4.840 1.00 0.00 ATOM 380 CB ASP A 47 53.666 19.539 -6.199 1.00 0.00 ATOM 381 CG ASP A 47 53.537 18.060 -6.510 1.00 0.00 ATOM 382 OD1 ASP A 47 54.166 17.247 -5.800 1.00 0.00 ATOM 383 OD2 ASP A 47 52.808 17.716 -7.462 1.00 0.00 ATOM 384 O ASP A 47 55.801 21.726 -4.753 1.00 0.00 ATOM 385 C ASP A 47 54.647 21.286 -4.691 1.00 0.00 ATOM 386 N SER A 48 53.599 22.118 -4.454 1.00 0.00 ATOM 387 CA SER A 48 53.797 23.523 -4.217 1.00 0.00 ATOM 388 CB SER A 48 52.436 24.209 -4.081 1.00 0.00 ATOM 389 OG SER A 48 51.699 24.125 -5.289 1.00 0.00 ATOM 390 O SER A 48 55.499 24.639 -2.938 1.00 0.00 ATOM 391 C SER A 48 54.606 23.792 -2.951 1.00 0.00 ATOM 392 N ARG A 49 54.288 23.063 -1.886 1.00 0.00 ATOM 393 CA ARG A 49 54.984 23.224 -0.616 1.00 0.00 ATOM 394 CB ARG A 49 54.849 21.736 0.108 1.00 0.00 ATOM 395 CG ARG A 49 54.317 21.421 1.501 1.00 0.00 ATOM 396 CD ARG A 49 54.613 19.955 1.868 1.00 0.00 ATOM 397 NE ARG A 49 55.012 19.200 0.680 1.00 0.00 ATOM 398 CZ ARG A 49 55.453 17.957 0.537 1.00 0.00 ATOM 399 NH1 ARG A 49 55.567 17.165 1.604 1.00 0.00 ATOM 400 NH2 ARG A 49 55.786 17.468 -0.655 1.00 0.00 ATOM 401 O ARG A 49 57.274 23.626 -0.030 1.00 0.00 ATOM 402 C ARG A 49 56.501 22.958 -0.695 1.00 0.00 ATOM 403 N GLY A 50 56.873 21.941 -1.466 1.00 0.00 ATOM 404 CA GLY A 50 58.267 21.538 -1.577 1.00 0.00 ATOM 405 O GLY A 50 60.172 22.993 -1.668 1.00 0.00 ATOM 406 C GLY A 50 59.044 22.745 -2.094 1.00 0.00 ATOM 407 N GLN A 51 58.429 23.500 -2.998 1.00 0.00 ATOM 408 CA GLN A 51 59.059 24.686 -3.571 1.00 0.00 ATOM 409 CB GLN A 51 58.172 25.293 -4.659 1.00 0.00 ATOM 410 CG GLN A 51 58.086 24.458 -5.927 1.00 0.00 ATOM 411 CD GLN A 51 57.167 25.070 -6.967 1.00 0.00 ATOM 412 OE1 GLN A 51 56.619 26.153 -6.765 1.00 0.00 ATOM 413 NE2 GLN A 51 56.997 24.375 -8.085 1.00 0.00 ATOM 414 O GLN A 51 60.303 26.461 -2.539 1.00 0.00 ATOM 415 C GLN A 51 59.331 25.703 -2.468 1.00 0.00 ATOM 416 N SER A 52 58.505 25.701 -1.426 1.00 0.00 ATOM 417 CA SER A 52 58.686 26.623 -0.311 1.00 0.00 ATOM 418 CB SER A 52 57.311 27.011 0.237 1.00 0.00 ATOM 419 OG SER A 52 56.534 27.666 -0.752 1.00 0.00 ATOM 420 O SER A 52 59.692 26.533 1.868 1.00 0.00 ATOM 421 C SER A 52 59.525 25.971 0.784 1.00 0.00 ATOM 422 N GLY A 53 60.065 24.769 0.475 1.00 0.00 ATOM 423 CA GLY A 53 60.892 24.063 1.438 1.00 0.00 ATOM 424 O GLY A 53 60.827 22.851 3.526 1.00 0.00 ATOM 425 C GLY A 53 60.200 23.272 2.537 1.00 0.00 ATOM 426 N ASN A 54 58.876 23.138 2.395 1.00 0.00 ATOM 427 CA ASN A 54 58.028 22.500 3.382 1.00 0.00 ATOM 428 CB ASN A 54 56.806 23.396 3.592 1.00 0.00 ATOM 429 CG ASN A 54 57.181 24.798 4.031 1.00 0.00 ATOM 430 ND2 ASN A 54 57.105 25.747 3.105 1.00 0.00 ATOM 431 OD1 ASN A 54 57.535 25.023 5.190 1.00 0.00 ATOM 432 O ASN A 54 56.963 20.986 1.848 1.00 0.00 ATOM 433 C ASN A 54 57.580 21.118 2.906 1.00 0.00 ATOM 434 N SER A 55 58.052 19.872 3.381 1.00 0.00 ATOM 435 CA SER A 55 57.652 18.507 3.061 1.00 0.00 ATOM 436 CB SER A 55 58.784 17.773 2.338 1.00 0.00 ATOM 437 OG SER A 55 59.903 17.600 3.189 1.00 0.00 ATOM 438 O SER A 55 57.532 18.246 5.447 1.00 0.00 ATOM 439 C SER A 55 57.288 17.761 4.341 1.00 0.00 ATOM 440 N LEU A 56 56.689 16.586 4.183 1.00 0.00 ATOM 441 CA LEU A 56 56.275 15.782 5.329 1.00 0.00 ATOM 442 CB LEU A 56 54.751 15.681 5.415 1.00 0.00 ATOM 443 CG LEU A 56 53.993 16.998 5.592 1.00 0.00 ATOM 444 CD1 LEU A 56 52.490 16.766 5.528 1.00 0.00 ATOM 445 CD2 LEU A 56 54.321 17.631 6.936 1.00 0.00 ATOM 446 O LEU A 56 56.654 13.719 4.161 1.00 0.00 ATOM 447 C LEU A 56 56.825 14.372 5.202 1.00 0.00 ATOM 448 N PHE A 57 57.452 13.891 6.263 1.00 0.00 ATOM 449 CA PHE A 57 57.968 12.538 6.285 1.00 0.00 ATOM 450 CB PHE A 57 59.500 12.530 6.498 1.00 0.00 ATOM 451 CG PHE A 57 60.304 12.808 5.294 1.00 0.00 ATOM 452 CD1 PHE A 57 60.711 14.120 5.045 1.00 0.00 ATOM 453 CD2 PHE A 57 60.731 11.800 4.424 1.00 0.00 ATOM 454 CE1 PHE A 57 61.520 14.383 3.971 1.00 0.00 ATOM 455 CE2 PHE A 57 61.542 12.093 3.334 1.00 0.00 ATOM 456 CZ PHE A 57 61.924 13.391 3.092 1.00 0.00 ATOM 457 O PHE A 57 57.230 12.259 8.549 1.00 0.00 ATOM 458 C PHE A 57 57.462 11.722 7.466 1.00 0.00 ATOM 459 N THR A 58 57.304 10.423 7.251 1.00 0.00 ATOM 460 CA THR A 58 56.845 9.536 8.315 1.00 0.00 ATOM 461 CB THR A 58 56.433 8.158 7.749 1.00 0.00 ATOM 462 CG2 THR A 58 55.753 7.311 8.862 1.00 0.00 ATOM 463 OG1 THR A 58 55.418 8.337 6.740 1.00 0.00 ATOM 464 O THR A 58 59.067 8.809 8.852 1.00 0.00 ATOM 465 C THR A 58 58.004 9.264 9.270 1.00 0.00 ATOM 466 N LEU A 59 57.798 9.567 10.549 1.00 0.00 ATOM 467 CA LEU A 59 58.816 9.356 11.574 1.00 0.00 ATOM 468 CB LEU A 59 58.805 10.494 12.554 1.00 0.00 ATOM 469 CG LEU A 59 59.009 11.905 11.965 1.00 0.00 ATOM 470 CD1 LEU A 59 58.733 12.999 13.008 1.00 0.00 ATOM 471 CD2 LEU A 59 60.442 12.034 11.425 1.00 0.00 ATOM 472 O LEU A 59 59.548 7.263 12.519 1.00 0.00 ATOM 473 C LEU A 59 58.598 8.002 12.255 1.00 0.00 ATOM 474 N GLU A 60 57.339 7.680 12.536 1.00 0.00 ATOM 475 CA GLU A 60 56.988 6.408 13.161 1.00 0.00 ATOM 476 CB GLU A 60 57.103 6.563 14.666 1.00 0.00 ATOM 477 CG GLU A 60 58.489 6.950 15.133 1.00 0.00 ATOM 478 CD GLU A 60 59.506 5.848 14.910 1.00 0.00 ATOM 479 OE1 GLU A 60 60.718 6.136 14.994 1.00 0.00 ATOM 480 OE2 GLU A 60 59.094 4.694 14.661 1.00 0.00 ATOM 481 O GLU A 60 54.738 6.845 12.466 1.00 0.00 ATOM 482 C GLU A 60 55.605 5.998 12.674 1.00 0.00 ATOM 483 N ALA A 61 55.406 4.701 12.483 1.00 0.00 ATOM 484 CA ALA A 61 54.131 4.202 11.995 1.00 0.00 ATOM 485 CB ALA A 61 54.115 4.153 10.475 1.00 0.00 ATOM 486 O ALA A 61 54.711 1.903 12.373 1.00 0.00 ATOM 487 C ALA A 61 53.869 2.793 12.510 1.00 0.00 ATOM 488 N HIS A 62 52.697 2.597 13.106 1.00 0.00 ATOM 489 CA HIS A 62 52.304 1.286 13.609 1.00 0.00 ATOM 490 CB HIS A 62 52.058 1.354 15.117 1.00 0.00 ATOM 491 CG HIS A 62 53.252 1.799 15.905 1.00 0.00 ATOM 492 CD2 HIS A 62 53.742 3.070 16.419 1.00 0.00 ATOM 493 ND1 HIS A 62 54.230 0.927 16.331 1.00 0.00 ATOM 494 CE1 HIS A 62 55.166 1.614 17.008 1.00 0.00 ATOM 495 NE2 HIS A 62 54.879 2.901 17.065 1.00 0.00 ATOM 496 O HIS A 62 50.121 1.723 12.750 1.00 0.00 ATOM 497 C HIS A 62 51.027 0.904 12.874 1.00 0.00 ATOM 498 N ILE A 63 50.979 -0.302 12.337 1.00 0.00 ATOM 499 CA ILE A 63 49.795 -0.753 11.620 1.00 0.00 ATOM 500 CB ILE A 63 50.064 -0.884 10.109 1.00 0.00 ATOM 501 CG1 ILE A 63 50.466 0.470 9.520 1.00 0.00 ATOM 502 CG2 ILE A 63 48.818 -1.372 9.386 1.00 0.00 ATOM 503 CD1 ILE A 63 50.949 0.394 8.088 1.00 0.00 ATOM 504 O ILE A 63 50.215 -3.040 12.221 1.00 0.00 ATOM 505 C ILE A 63 49.388 -2.129 12.139 1.00 0.00 ATOM 506 N ASN A 64 48.122 -2.276 12.510 1.00 0.00 ATOM 507 CA ASN A 64 47.628 -3.566 12.970 1.00 0.00 ATOM 508 CB ASN A 64 46.944 -3.398 14.327 1.00 0.00 ATOM 509 CG ASN A 64 47.887 -2.877 15.394 1.00 0.00 ATOM 510 ND2 ASN A 64 47.633 -1.660 15.862 1.00 0.00 ATOM 511 OD1 ASN A 64 48.830 -3.560 15.791 1.00 0.00 ATOM 512 O ASN A 64 45.751 -3.383 11.478 1.00 0.00 ATOM 513 C ASN A 64 46.658 -4.099 11.897 1.00 0.00 ATOM 514 N TYR A 65 46.829 -5.335 11.533 1.00 0.00 ATOM 515 CA TYR A 65 45.953 -5.940 10.515 1.00 0.00 ATOM 516 CB TYR A 65 46.812 -6.702 9.503 1.00 0.00 ATOM 517 CG TYR A 65 47.679 -5.809 8.643 1.00 0.00 ATOM 518 CD1 TYR A 65 48.979 -5.502 9.021 1.00 0.00 ATOM 519 CD2 TYR A 65 47.194 -5.278 7.456 1.00 0.00 ATOM 520 CE1 TYR A 65 49.779 -4.688 8.241 1.00 0.00 ATOM 521 CE2 TYR A 65 47.978 -4.461 6.663 1.00 0.00 ATOM 522 CZ TYR A 65 49.281 -4.169 7.065 1.00 0.00 ATOM 523 OH TYR A 65 50.074 -3.358 6.287 1.00 0.00 ATOM 524 O TYR A 65 45.300 -7.725 11.979 1.00 0.00 ATOM 525 C TYR A 65 44.945 -6.910 11.129 1.00 0.00 ATOM 526 N LEU A 66 43.696 -6.833 10.677 1.00 0.00 ATOM 527 CA LEU A 66 42.620 -7.685 11.205 1.00 0.00 ATOM 528 CB LEU A 66 41.507 -6.842 11.830 1.00 0.00 ATOM 529 CG LEU A 66 41.900 -5.988 13.039 1.00 0.00 ATOM 530 CD1 LEU A 66 40.735 -5.118 13.483 1.00 0.00 ATOM 531 CD2 LEU A 66 42.309 -6.869 14.209 1.00 0.00 ATOM 532 O LEU A 66 41.649 -9.743 10.425 1.00 0.00 ATOM 533 C LEU A 66 41.941 -8.570 10.164 1.00 0.00 ATOM 534 N HIS A 67 41.664 -7.993 9.000 1.00 0.00 ATOM 535 CA HIS A 67 40.992 -8.718 7.927 1.00 0.00 ATOM 536 CB HIS A 67 39.487 -8.447 7.957 1.00 0.00 ATOM 537 CG HIS A 67 38.814 -8.919 9.209 1.00 0.00 ATOM 538 CD2 HIS A 67 38.325 -8.289 10.426 1.00 0.00 ATOM 539 ND1 HIS A 67 38.504 -10.244 9.433 1.00 0.00 ATOM 540 CE1 HIS A 67 37.909 -10.356 10.634 1.00 0.00 ATOM 541 NE2 HIS A 67 37.798 -9.188 11.236 1.00 0.00 ATOM 542 O HIS A 67 42.046 -7.161 6.438 1.00 0.00 ATOM 543 C HIS A 67 41.558 -8.280 6.582 1.00 0.00 ATOM 544 N GLU A 68 41.484 -9.155 5.569 1.00 0.00 ATOM 545 CA GLU A 68 42.012 -8.814 4.248 1.00 0.00 ATOM 546 CB GLU A 68 42.468 -10.072 3.506 1.00 0.00 ATOM 547 CG GLU A 68 43.629 -10.795 4.166 1.00 0.00 ATOM 548 CD GLU A 68 44.880 -9.940 4.242 1.00 0.00 ATOM 549 OE1 GLU A 68 45.324 -9.442 3.187 1.00 0.00 ATOM 550 OE2 GLU A 68 45.415 -9.769 5.358 1.00 0.00 ATOM 551 O GLU A 68 39.917 -8.576 3.127 1.00 0.00 ATOM 552 C GLU A 68 41.070 -8.209 3.228 1.00 0.00 ATOM 553 N VAL A 69 41.579 -7.350 2.383 1.00 0.00 ATOM 554 CA VAL A 69 40.903 -6.800 1.227 1.00 0.00 ATOM 555 CB VAL A 69 41.365 -5.341 1.053 1.00 0.00 ATOM 556 CG1 VAL A 69 40.641 -4.690 -0.115 1.00 0.00 ATOM 557 CG2 VAL A 69 41.073 -4.535 2.310 1.00 0.00 ATOM 558 O VAL A 69 42.331 -8.243 -0.041 1.00 0.00 ATOM 559 C VAL A 69 41.249 -7.653 0.011 1.00 0.00 ATOM 560 N LYS A 70 40.347 -7.740 -0.959 1.00 0.00 ATOM 561 CA LYS A 70 40.631 -8.544 -2.140 1.00 0.00 ATOM 562 CB LYS A 70 39.675 -9.737 -2.207 1.00 0.00 ATOM 563 CG LYS A 70 39.833 -10.724 -1.064 1.00 0.00 ATOM 564 CD LYS A 70 38.826 -11.857 -1.170 1.00 0.00 ATOM 565 CE LYS A 70 38.976 -12.839 -0.019 1.00 0.00 ATOM 566 NZ LYS A 70 38.054 -14.001 -0.156 1.00 0.00 ATOM 567 O LYS A 70 40.067 -6.603 -3.431 1.00 0.00 ATOM 568 C LYS A 70 40.477 -7.764 -3.433 1.00 0.00 ATOM 569 N LEU A 71 40.927 -8.381 -4.624 1.00 0.00 ATOM 570 CA LEU A 71 40.842 -7.765 -5.938 1.00 0.00 ATOM 571 CB LEU A 71 41.162 -8.786 -7.032 1.00 0.00 ATOM 572 CG LEU A 71 41.205 -8.254 -8.464 1.00 0.00 ATOM 573 CD1 LEU A 71 42.341 -7.257 -8.634 1.00 0.00 ATOM 574 CD2 LEU A 71 41.419 -9.389 -9.455 1.00 0.00 ATOM 575 O LEU A 71 38.464 -7.914 -6.161 1.00 0.00 ATOM 576 C LEU A 71 39.478 -7.213 -6.259 1.00 0.00 ATOM 577 N GLY A 72 39.411 -5.891 -6.613 1.00 0.00 ATOM 578 CA GLY A 72 38.163 -5.254 -6.948 1.00 0.00 ATOM 579 O GLY A 72 36.305 -4.060 -6.012 1.00 0.00 ATOM 580 C GLY A 72 37.331 -4.703 -5.788 1.00 0.00 ATOM 581 N THR A 73 37.759 -4.938 -4.553 1.00 0.00 ATOM 582 CA THR A 73 37.025 -4.388 -3.414 1.00 0.00 ATOM 583 CB THR A 73 37.612 -4.915 -2.112 1.00 0.00 ATOM 584 CG2 THR A 73 36.791 -4.390 -0.953 1.00 0.00 ATOM 585 OG1 THR A 73 37.547 -6.353 -2.091 1.00 0.00 ATOM 586 O THR A 73 38.306 -2.369 -3.559 1.00 0.00 ATOM 587 C THR A 73 37.214 -2.877 -3.361 1.00 0.00 ATOM 588 N GLU A 74 36.113 -2.130 -3.148 1.00 0.00 ATOM 589 CA GLU A 74 36.167 -0.698 -2.997 1.00 0.00 ATOM 590 CB GLU A 74 34.992 0.024 -3.672 1.00 0.00 ATOM 591 CG GLU A 74 35.160 0.163 -5.192 1.00 0.00 ATOM 592 CD GLU A 74 35.168 -1.178 -5.915 1.00 0.00 ATOM 593 OE1 GLU A 74 34.156 -1.855 -5.805 1.00 0.00 ATOM 594 OE2 GLU A 74 36.195 -1.486 -6.556 1.00 0.00 ATOM 595 O GLU A 74 35.473 -0.776 -0.698 1.00 0.00 ATOM 596 C GLU A 74 36.337 -0.429 -1.510 1.00 0.00 ATOM 597 N VAL A 75 37.468 0.158 -1.147 1.00 0.00 ATOM 598 CA VAL A 75 37.756 0.432 0.254 1.00 0.00 ATOM 599 CB VAL A 75 39.211 0.078 0.611 1.00 0.00 ATOM 600 CG1 VAL A 75 39.472 -1.402 0.380 1.00 0.00 ATOM 601 CG2 VAL A 75 40.180 0.877 -0.248 1.00 0.00 ATOM 602 O VAL A 75 37.945 2.775 -0.216 1.00 0.00 ATOM 603 C VAL A 75 37.724 1.906 0.627 1.00 0.00 ATOM 604 N TRP A 76 37.471 2.156 1.885 1.00 0.00 ATOM 605 CA TRP A 76 37.445 3.521 2.397 1.00 0.00 ATOM 606 CB TRP A 76 36.145 3.738 3.147 1.00 0.00 ATOM 607 CG TRP A 76 35.027 3.995 2.154 1.00 0.00 ATOM 608 CD1 TRP A 76 34.308 2.971 1.587 1.00 0.00 ATOM 609 CD2 TRP A 76 34.644 5.232 1.714 1.00 0.00 ATOM 610 CE2 TRP A 76 33.649 4.902 0.806 1.00 0.00 ATOM 611 CE3 TRP A 76 35.011 6.546 1.918 1.00 0.00 ATOM 612 NE1 TRP A 76 33.476 3.554 0.764 1.00 0.00 ATOM 613 CZ2 TRP A 76 32.983 5.923 0.137 1.00 0.00 ATOM 614 CZ3 TRP A 76 34.351 7.545 1.250 1.00 0.00 ATOM 615 CH2 TRP A 76 33.355 7.237 0.352 1.00 0.00 ATOM 616 O TRP A 76 38.714 2.900 4.328 1.00 0.00 ATOM 617 C TRP A 76 38.561 3.704 3.404 1.00 0.00 ATOM 618 N VAL A 77 39.357 4.747 3.212 1.00 0.00 ATOM 619 CA VAL A 77 40.438 5.040 4.139 1.00 0.00 ATOM 620 CB VAL A 77 41.724 5.462 3.404 1.00 0.00 ATOM 621 CG1 VAL A 77 42.813 5.823 4.401 1.00 0.00 ATOM 622 CG2 VAL A 77 42.233 4.329 2.525 1.00 0.00 ATOM 623 O VAL A 77 39.390 7.164 4.441 1.00 0.00 ATOM 624 C VAL A 77 39.879 6.174 4.985 1.00 0.00 ATOM 625 N GLN A 78 39.932 6.028 6.306 1.00 0.00 ATOM 626 CA GLN A 78 39.435 7.068 7.200 1.00 0.00 ATOM 627 CB GLN A 78 38.496 6.474 8.252 1.00 0.00 ATOM 628 CG GLN A 78 37.208 5.901 7.682 1.00 0.00 ATOM 629 CD GLN A 78 36.343 5.247 8.742 1.00 0.00 ATOM 630 OE1 GLN A 78 36.648 5.313 9.933 1.00 0.00 ATOM 631 NE2 GLN A 78 35.259 4.613 8.310 1.00 0.00 ATOM 632 O GLN A 78 41.510 7.013 8.393 1.00 0.00 ATOM 633 C GLN A 78 40.633 7.708 7.892 1.00 0.00 ATOM 634 N THR A 79 40.660 9.037 7.907 1.00 0.00 ATOM 635 CA THR A 79 41.782 9.766 8.490 1.00 0.00 ATOM 636 CB THR A 79 42.647 10.429 7.401 1.00 0.00 ATOM 637 CG2 THR A 79 43.186 9.383 6.439 1.00 0.00 ATOM 638 OG1 THR A 79 41.856 11.371 6.667 1.00 0.00 ATOM 639 O THR A 79 40.443 11.672 9.118 1.00 0.00 ATOM 640 C THR A 79 41.327 10.873 9.439 1.00 0.00 ATOM 641 N GLN A 80 42.056 10.963 10.586 1.00 0.00 ATOM 642 CA GLN A 80 41.812 12.000 11.575 1.00 0.00 ATOM 643 CB GLN A 80 40.923 11.430 12.682 1.00 0.00 ATOM 644 CG GLN A 80 39.511 11.096 12.233 1.00 0.00 ATOM 645 CD GLN A 80 38.643 10.589 13.368 1.00 0.00 ATOM 646 OE1 GLN A 80 39.091 10.493 14.510 1.00 0.00 ATOM 647 NE2 GLN A 80 37.393 10.262 13.055 1.00 0.00 ATOM 648 O GLN A 80 44.033 11.636 12.395 1.00 0.00 ATOM 649 C GLN A 80 43.145 12.455 12.167 1.00 0.00 ATOM 650 N ILE A 81 43.292 13.751 12.409 1.00 0.00 ATOM 651 CA ILE A 81 44.510 14.257 13.031 1.00 0.00 ATOM 652 CB ILE A 81 45.012 15.624 12.433 1.00 0.00 ATOM 653 CG1 ILE A 81 45.115 15.611 10.897 1.00 0.00 ATOM 654 CG2 ILE A 81 46.326 16.044 13.082 1.00 0.00 ATOM 655 CD1 ILE A 81 46.247 14.810 10.334 1.00 0.00 ATOM 656 O ILE A 81 43.445 15.180 14.946 1.00 0.00 ATOM 657 C ILE A 81 44.224 14.306 14.518 1.00 0.00 ATOM 658 N LEU A 82 44.791 13.447 15.309 1.00 0.00 ATOM 659 CA LEU A 82 44.558 13.370 16.744 1.00 0.00 ATOM 660 CB LEU A 82 44.700 11.934 17.251 1.00 0.00 ATOM 661 CG LEU A 82 43.745 10.903 16.647 1.00 0.00 ATOM 662 CD1 LEU A 82 44.054 9.511 17.175 1.00 0.00 ATOM 663 CD2 LEU A 82 42.304 11.235 16.998 1.00 0.00 ATOM 664 O LEU A 82 45.134 14.599 18.715 1.00 0.00 ATOM 665 C LEU A 82 45.478 14.245 17.587 1.00 0.00 ATOM 666 N GLY A 83 46.643 14.596 17.047 1.00 0.00 ATOM 667 CA GLY A 83 47.597 15.434 17.772 1.00 0.00 ATOM 668 O GLY A 83 48.759 15.948 15.738 1.00 0.00 ATOM 669 C GLY A 83 48.384 16.346 16.843 1.00 0.00 ATOM 670 N PHE A 84 48.629 17.572 17.300 1.00 0.00 ATOM 671 CA PHE A 84 49.397 18.549 16.537 1.00 0.00 ATOM 672 CB PHE A 84 48.472 19.602 15.923 1.00 0.00 ATOM 673 CG PHE A 84 49.180 20.590 15.042 1.00 0.00 ATOM 674 CD1 PHE A 84 49.535 20.255 13.747 1.00 0.00 ATOM 675 CD2 PHE A 84 49.490 21.856 15.507 1.00 0.00 ATOM 676 CE1 PHE A 84 50.186 21.164 12.935 1.00 0.00 ATOM 677 CE2 PHE A 84 50.143 22.765 14.696 1.00 0.00 ATOM 678 CZ PHE A 84 50.489 22.424 13.415 1.00 0.00 ATOM 679 O PHE A 84 50.003 19.819 18.475 1.00 0.00 ATOM 680 C PHE A 84 50.391 19.229 17.464 1.00 0.00 ATOM 681 N ASP A 85 51.670 19.136 17.128 1.00 0.00 ATOM 682 CA ASP A 85 52.710 19.764 17.928 1.00 0.00 ATOM 683 CB ASP A 85 53.652 18.710 18.516 1.00 0.00 ATOM 684 CG ASP A 85 54.383 19.205 19.749 1.00 0.00 ATOM 685 OD1 ASP A 85 54.296 20.415 20.044 1.00 0.00 ATOM 686 OD2 ASP A 85 55.041 18.382 20.419 1.00 0.00 ATOM 687 O ASP A 85 53.118 21.000 15.893 1.00 0.00 ATOM 688 C ASP A 85 53.504 20.703 17.030 1.00 0.00 ATOM 689 N ARG A 86 54.739 21.212 17.563 1.00 0.00 ATOM 690 CA ARG A 86 55.494 22.239 16.852 1.00 0.00 ATOM 691 CB ARG A 86 56.827 22.494 17.558 1.00 0.00 ATOM 692 CG ARG A 86 57.666 23.590 16.924 1.00 0.00 ATOM 693 CD ARG A 86 58.972 23.791 17.675 1.00 0.00 ATOM 694 NE ARG A 86 59.780 24.861 17.093 1.00 0.00 ATOM 695 CZ ARG A 86 61.033 25.128 17.448 1.00 0.00 ATOM 696 NH1 ARG A 86 61.690 26.120 16.863 1.00 0.00 ATOM 697 NH2 ARG A 86 61.626 24.402 18.387 1.00 0.00 ATOM 698 O ARG A 86 55.405 22.552 14.479 1.00 0.00 ATOM 699 C ARG A 86 55.829 21.872 15.417 1.00 0.00 ATOM 700 N LYS A 87 56.555 20.775 15.243 1.00 0.00 ATOM 701 CA LYS A 87 56.970 20.344 13.912 1.00 0.00 ATOM 702 CB LYS A 87 58.718 20.691 14.249 1.00 0.00 ATOM 703 CG LYS A 87 59.133 19.472 15.062 1.00 0.00 ATOM 704 CD LYS A 87 60.577 19.565 15.579 1.00 0.00 ATOM 705 CE LYS A 87 60.686 20.362 16.873 1.00 0.00 ATOM 706 NZ LYS A 87 62.112 20.684 17.209 1.00 0.00 ATOM 707 O LYS A 87 56.631 18.542 12.377 1.00 0.00 ATOM 708 C LYS A 87 56.309 19.051 13.452 1.00 0.00 ATOM 709 N ARG A 88 55.387 18.515 14.242 1.00 0.00 ATOM 710 CA ARG A 88 54.762 17.264 13.848 1.00 0.00 ATOM 711 CB ARG A 88 54.972 16.087 14.274 1.00 0.00 ATOM 712 CG ARG A 88 55.644 15.648 15.538 1.00 0.00 ATOM 713 CD ARG A 88 54.827 15.826 16.834 1.00 0.00 ATOM 714 NE ARG A 88 55.016 14.718 17.764 1.00 0.00 ATOM 715 CZ ARG A 88 56.033 14.588 18.597 1.00 0.00 ATOM 716 NH1 ARG A 88 56.947 15.536 18.763 1.00 0.00 ATOM 717 NH2 ARG A 88 56.129 13.483 19.319 1.00 0.00 ATOM 718 O ARG A 88 52.705 18.014 14.851 1.00 0.00 ATOM 719 C ARG A 88 53.288 17.168 14.203 1.00 0.00 ATOM 720 N LEU A 89 52.686 16.082 13.614 1.00 0.00 ATOM 721 CA LEU A 89 51.299 15.765 13.930 1.00 0.00 ATOM 722 CB LEU A 89 50.404 16.426 12.880 1.00 0.00 ATOM 723 CG LEU A 89 50.663 16.031 11.425 1.00 0.00 ATOM 724 CD1 LEU A 89 49.906 14.760 11.070 1.00 0.00 ATOM 725 CD2 LEU A 89 50.210 17.133 10.479 1.00 0.00 ATOM 726 O LEU A 89 51.835 13.544 13.186 1.00 0.00 ATOM 727 C LEU A 89 51.091 14.262 13.865 1.00 0.00 ATOM 728 N HIS A 90 50.090 13.787 14.593 1.00 0.00 ATOM 729 CA HIS A 90 49.781 12.374 14.633 1.00 0.00 ATOM 730 CB HIS A 90 49.671 11.871 16.105 1.00 0.00 ATOM 731 CG HIS A 90 50.780 12.253 16.999 1.00 0.00 ATOM 732 CD2 HIS A 90 52.027 12.759 16.731 1.00 0.00 ATOM 733 ND1 HIS A 90 50.615 12.253 18.373 1.00 0.00 ATOM 734 CE1 HIS A 90 51.741 12.728 18.910 1.00 0.00 ATOM 735 NE2 HIS A 90 52.646 13.014 17.966 1.00 0.00 ATOM 736 O HIS A 90 47.417 12.659 14.280 1.00 0.00 ATOM 737 C HIS A 90 48.455 12.081 13.946 1.00 0.00 ATOM 738 N VAL A 91 48.509 11.182 12.972 1.00 0.00 ATOM 739 CA VAL A 91 47.331 10.777 12.224 1.00 0.00 ATOM 740 CB VAL A 91 47.569 10.834 10.679 1.00 0.00 ATOM 741 CG1 VAL A 91 47.913 12.242 10.241 1.00 0.00 ATOM 742 CG2 VAL A 91 48.676 9.861 10.304 1.00 0.00 ATOM 743 O VAL A 91 47.646 8.555 13.062 1.00 0.00 ATOM 744 C VAL A 91 46.844 9.435 12.746 1.00 0.00 ATOM 745 N TYR A 92 45.532 9.293 12.845 1.00 0.00 ATOM 746 CA TYR A 92 44.921 8.041 13.249 1.00 0.00 ATOM 747 CB TYR A 92 44.044 8.256 14.484 1.00 0.00 ATOM 748 CG TYR A 92 43.362 7.000 14.977 1.00 0.00 ATOM 749 CD1 TYR A 92 44.066 6.043 15.697 1.00 0.00 ATOM 750 CD2 TYR A 92 42.016 6.774 14.721 1.00 0.00 ATOM 751 CE1 TYR A 92 43.451 4.893 16.152 1.00 0.00 ATOM 752 CE2 TYR A 92 41.383 5.631 15.168 1.00 0.00 ATOM 753 CZ TYR A 92 42.114 4.687 15.889 1.00 0.00 ATOM 754 OH TYR A 92 41.500 3.541 16.341 1.00 0.00 ATOM 755 O TYR A 92 43.281 8.446 11.547 1.00 0.00 ATOM 756 C TYR A 92 44.125 7.671 12.004 1.00 0.00 ATOM 757 N HIS A 93 44.419 6.510 11.430 1.00 0.00 ATOM 758 CA HIS A 93 43.754 6.091 10.208 1.00 0.00 ATOM 759 CB HIS A 93 44.722 6.153 9.002 1.00 0.00 ATOM 760 CG HIS A 93 45.367 7.505 8.734 1.00 0.00 ATOM 761 CD2 HIS A 93 44.869 8.754 9.071 1.00 0.00 ATOM 762 ND1 HIS A 93 46.541 7.706 8.144 1.00 0.00 ATOM 763 CE1 HIS A 93 46.761 9.013 8.108 1.00 0.00 ATOM 764 NE2 HIS A 93 45.751 9.633 8.665 1.00 0.00 ATOM 765 O HIS A 93 43.755 3.868 11.104 1.00 0.00 ATOM 766 C HIS A 93 43.279 4.650 10.283 1.00 0.00 ATOM 767 N SER A 94 42.343 4.301 9.408 1.00 0.00 ATOM 768 CA SER A 94 41.829 2.947 9.348 1.00 0.00 ATOM 769 CB SER A 94 40.684 2.751 10.344 1.00 0.00 ATOM 770 OG SER A 94 39.558 3.534 9.988 1.00 0.00 ATOM 771 O SER A 94 40.968 3.575 7.197 1.00 0.00 ATOM 772 C SER A 94 41.317 2.661 7.947 1.00 0.00 ATOM 773 N LEU A 95 41.311 1.390 7.583 1.00 0.00 ATOM 774 CA LEU A 95 40.840 0.995 6.269 1.00 0.00 ATOM 775 CB LEU A 95 41.964 0.333 5.471 1.00 0.00 ATOM 776 CG LEU A 95 41.591 -0.194 4.084 1.00 0.00 ATOM 777 CD1 LEU A 95 41.234 0.952 3.150 1.00 0.00 ATOM 778 CD2 LEU A 95 42.753 -0.962 3.471 1.00 0.00 ATOM 779 O LEU A 95 39.828 -0.973 7.195 1.00 0.00 ATOM 780 C LEU A 95 39.694 0.008 6.463 1.00 0.00 ATOM 781 N HIS A 96 38.568 0.290 5.820 1.00 0.00 ATOM 782 CA HIS A 96 37.392 -0.573 5.919 1.00 0.00 ATOM 783 CB HIS A 96 36.209 0.198 6.591 1.00 0.00 ATOM 784 CG HIS A 96 36.646 0.594 7.998 1.00 0.00 ATOM 785 CD2 HIS A 96 37.564 1.562 8.341 1.00 0.00 ATOM 786 ND1 HIS A 96 36.201 0.063 9.101 1.00 0.00 ATOM 787 CE1 HIS A 96 36.828 0.644 10.091 1.00 0.00 ATOM 788 NE2 HIS A 96 37.650 1.556 9.640 1.00 0.00 ATOM 789 O HIS A 96 37.211 -0.195 3.564 1.00 0.00 ATOM 790 C HIS A 96 36.886 -0.900 4.522 1.00 0.00 ATOM 791 N ARG A 97 36.111 -1.980 4.393 1.00 0.00 ATOM 792 CA ARG A 97 35.561 -2.324 3.087 1.00 0.00 ATOM 793 CB ARG A 97 35.595 -3.839 2.875 1.00 0.00 ATOM 794 CG ARG A 97 36.994 -4.432 2.856 1.00 0.00 ATOM 795 CD ARG A 97 36.955 -5.932 2.613 1.00 0.00 ATOM 796 NE ARG A 97 36.501 -6.256 1.262 1.00 0.00 ATOM 797 CZ ARG A 97 36.257 -7.489 0.831 1.00 0.00 ATOM 798 NH1 ARG A 97 35.847 -7.688 -0.414 1.00 0.00 ATOM 799 NH2 ARG A 97 36.422 -8.521 1.647 1.00 0.00 ATOM 800 O ARG A 97 33.575 -1.199 3.848 1.00 0.00 ATOM 801 C ARG A 97 34.097 -1.892 2.970 1.00 0.00 ATOM 802 N ALA A 98 33.454 -2.315 1.878 1.00 0.00 ATOM 803 CA ALA A 98 32.066 -1.929 1.632 1.00 0.00 ATOM 804 CB ALA A 98 31.841 -1.741 0.139 1.00 0.00 ATOM 805 O ALA A 98 30.983 -4.061 1.725 1.00 0.00 ATOM 806 C ALA A 98 30.967 -2.883 2.072 1.00 0.00 ATOM 807 N GLY A 99 29.980 -2.363 2.795 1.00 0.00 ATOM 808 CA GLY A 99 28.865 -3.208 3.189 1.00 0.00 ATOM 809 O GLY A 99 27.284 -3.565 4.927 1.00 0.00 ATOM 810 C GLY A 99 28.447 -3.279 4.645 1.00 0.00 ATOM 811 N PHE A 100 29.360 -3.004 5.571 1.00 0.00 ATOM 812 CA PHE A 100 29.018 -3.084 6.988 1.00 0.00 ATOM 813 CB PHE A 100 28.793 -4.541 7.397 1.00 0.00 ATOM 814 CG PHE A 100 29.998 -5.417 7.211 1.00 0.00 ATOM 815 CD1 PHE A 100 30.914 -5.583 8.236 1.00 0.00 ATOM 816 CD2 PHE A 100 30.218 -6.075 6.012 1.00 0.00 ATOM 817 CE1 PHE A 100 32.024 -6.389 8.065 1.00 0.00 ATOM 818 CE2 PHE A 100 31.328 -6.879 5.842 1.00 0.00 ATOM 819 CZ PHE A 100 32.229 -7.039 6.862 1.00 0.00 ATOM 820 O PHE A 100 30.469 -2.459 8.788 1.00 0.00 ATOM 821 C PHE A 100 30.275 -2.466 7.566 1.00 0.00 ATOM 822 N ASP A 101 31.133 -2.171 6.502 1.00 0.00 ATOM 823 CA ASP A 101 32.394 -1.546 6.885 1.00 0.00 ATOM 824 CB ASP A 101 32.054 0.061 6.963 1.00 0.00 ATOM 825 CG ASP A 101 33.188 1.032 6.703 1.00 0.00 ATOM 826 OD1 ASP A 101 33.753 1.005 5.591 1.00 0.00 ATOM 827 OD2 ASP A 101 33.513 1.830 7.604 1.00 0.00 ATOM 828 O ASP A 101 33.355 -2.231 8.975 1.00 0.00 ATOM 829 C ASP A 101 33.167 -2.505 7.791 1.00 0.00 ATOM 830 N GLU A 102 33.611 -3.629 7.233 1.00 0.00 ATOM 831 CA GLU A 102 34.406 -4.577 8.001 1.00 0.00 ATOM 832 CB GLU A 102 34.516 -5.909 7.256 1.00 0.00 ATOM 833 CG GLU A 102 35.239 -6.997 8.035 1.00 0.00 ATOM 834 CD GLU A 102 35.288 -8.315 7.284 1.00 0.00 ATOM 835 OE1 GLU A 102 34.754 -8.377 6.159 1.00 0.00 ATOM 836 OE2 GLU A 102 35.861 -9.283 7.826 1.00 0.00 ATOM 837 O GLU A 102 36.321 -3.396 7.171 1.00 0.00 ATOM 838 C GLU A 102 35.778 -3.918 8.147 1.00 0.00 ATOM 839 N VAL A 103 36.313 -3.894 9.363 1.00 0.00 ATOM 840 CA VAL A 103 37.619 -3.281 9.598 1.00 0.00 ATOM 841 CB VAL A 103 37.851 -3.013 11.096 1.00 0.00 ATOM 842 CG1 VAL A 103 39.231 -2.416 11.324 1.00 0.00 ATOM 843 CG2 VAL A 103 36.811 -2.041 11.632 1.00 0.00 ATOM 844 O VAL A 103 38.959 -5.276 9.699 1.00 0.00 ATOM 845 C VAL A 103 38.739 -4.207 9.128 1.00 0.00 ATOM 846 N LEU A 104 39.435 -3.786 8.074 1.00 0.00 ATOM 847 CA LEU A 104 40.529 -4.571 7.512 1.00 0.00 ATOM 848 CB LEU A 104 40.779 -4.191 6.052 1.00 0.00 ATOM 849 CG LEU A 104 39.643 -4.487 5.070 1.00 0.00 ATOM 850 CD1 LEU A 104 39.971 -3.943 3.688 1.00 0.00 ATOM 851 CD2 LEU A 104 39.414 -5.986 4.949 1.00 0.00 ATOM 852 O LEU A 104 42.535 -5.328 8.589 1.00 0.00 ATOM 853 C LEU A 104 41.827 -4.370 8.288 1.00 0.00 ATOM 854 N ALA A 105 42.129 -3.113 8.593 1.00 0.00 ATOM 855 CA ALA A 105 43.315 -2.770 9.366 1.00 0.00 ATOM 856 CB ALA A 105 44.568 -2.954 8.524 1.00 0.00 ATOM 857 O ALA A 105 42.394 -0.548 9.408 1.00 0.00 ATOM 858 C ALA A 105 43.249 -1.323 9.843 1.00 0.00 ATOM 859 N ALA A 106 44.135 -0.965 10.766 1.00 0.00 ATOM 860 CA ALA A 106 44.170 0.393 11.289 1.00 0.00 ATOM 861 CB ALA A 106 43.392 0.494 12.591 1.00 0.00 ATOM 862 O ALA A 106 46.484 -0.075 11.703 1.00 0.00 ATOM 863 C ALA A 106 45.612 0.784 11.538 1.00 0.00 ATOM 864 N SER A 107 45.870 2.081 11.534 1.00 0.00 ATOM 865 CA SER A 107 47.224 2.556 11.737 1.00 0.00 ATOM 866 CB SER A 107 47.917 2.791 10.392 1.00 0.00 ATOM 867 OG SER A 107 47.302 3.853 9.682 1.00 0.00 ATOM 868 O SER A 107 46.366 4.665 12.493 1.00 0.00 ATOM 869 C SER A 107 47.306 3.872 12.489 1.00 0.00 ATOM 870 N GLU A 108 48.439 4.071 13.150 1.00 0.00 ATOM 871 CA GLU A 108 48.726 5.311 13.849 1.00 0.00 ATOM 872 CB GLU A 108 48.901 5.044 15.346 1.00 0.00 ATOM 873 CG GLU A 108 49.137 6.293 16.176 1.00 0.00 ATOM 874 CD GLU A 108 49.303 5.989 17.652 1.00 0.00 ATOM 875 OE1 GLU A 108 49.305 4.794 18.017 1.00 0.00 ATOM 876 OE2 GLU A 108 49.432 6.946 18.446 1.00 0.00 ATOM 877 O GLU A 108 50.985 5.001 13.114 1.00 0.00 ATOM 878 C GLU A 108 50.007 5.755 13.165 1.00 0.00 ATOM 879 N GLN A 109 49.998 6.966 12.624 1.00 0.00 ATOM 880 CA GLN A 109 51.146 7.465 11.892 1.00 0.00 ATOM 881 CB GLN A 109 50.794 7.693 10.420 1.00 0.00 ATOM 882 CG GLN A 109 50.500 6.419 9.647 1.00 0.00 ATOM 883 CD GLN A 109 50.219 6.678 8.181 1.00 0.00 ATOM 884 OE1 GLN A 109 50.261 7.821 7.723 1.00 0.00 ATOM 885 NE2 GLN A 109 49.930 5.616 7.438 1.00 0.00 ATOM 886 O GLN A 109 50.965 9.783 12.472 1.00 0.00 ATOM 887 C GLN A 109 51.684 8.785 12.417 1.00 0.00 ATOM 888 N MET A 110 52.982 9.003 12.886 1.00 0.00 ATOM 889 CA MET A 110 53.632 10.212 13.364 1.00 0.00 ATOM 890 CB MET A 110 54.643 9.880 14.464 1.00 0.00 ATOM 891 CG MET A 110 55.352 11.092 15.043 1.00 0.00 ATOM 892 SD MET A 110 56.506 10.660 16.360 1.00 0.00 ATOM 893 CE MET A 110 55.372 10.315 17.703 1.00 0.00 ATOM 894 O MET A 110 55.204 10.189 11.546 1.00 0.00 ATOM 895 C MET A 110 54.315 10.807 12.139 1.00 0.00 ATOM 896 N LEU A 111 53.897 12.006 11.760 1.00 0.00 ATOM 897 CA LEU A 111 54.450 12.696 10.599 1.00 0.00 ATOM 898 CB LEU A 111 53.350 13.082 9.607 1.00 0.00 ATOM 899 CG LEU A 111 52.534 11.931 9.017 1.00 0.00 ATOM 900 CD1 LEU A 111 51.427 12.462 8.119 1.00 0.00 ATOM 901 CD2 LEU A 111 53.420 11.014 8.189 1.00 0.00 ATOM 902 O LEU A 111 54.629 14.790 11.759 1.00 0.00 ATOM 903 C LEU A 111 55.171 13.968 11.020 1.00 0.00 ATOM 904 N LEU A 112 56.388 14.142 10.517 1.00 0.00 ATOM 905 CA LEU A 112 57.181 15.315 10.852 1.00 0.00 ATOM 906 CB LEU A 112 58.595 14.889 11.224 1.00 0.00 ATOM 907 CG LEU A 112 59.587 15.986 11.632 1.00 0.00 ATOM 908 CD1 LEU A 112 59.127 16.684 12.894 1.00 0.00 ATOM 909 CD2 LEU A 112 60.962 15.371 11.829 1.00 0.00 ATOM 910 O LEU A 112 57.559 15.723 8.498 1.00 0.00 ATOM 911 C LEU A 112 57.305 16.223 9.614 1.00 0.00 ATOM 912 N HIS A 113 57.226 17.532 9.850 1.00 0.00 ATOM 913 CA HIS A 113 57.435 18.494 8.796 1.00 0.00 ATOM 914 CB HIS A 113 56.606 19.736 9.127 1.00 0.00 ATOM 915 CG HIS A 113 56.557 20.752 8.045 1.00 0.00 ATOM 916 CD2 HIS A 113 55.545 21.031 7.168 1.00 0.00 ATOM 917 ND1 HIS A 113 57.623 21.608 7.769 1.00 0.00 ATOM 918 CE1 HIS A 113 57.264 22.381 6.746 1.00 0.00 ATOM 919 NE2 HIS A 113 56.018 22.050 6.364 1.00 0.00 ATOM 920 O HIS A 113 59.615 18.894 9.705 1.00 0.00 ATOM 921 C HIS A 113 58.933 18.728 8.690 1.00 0.00 ATOM 922 N VAL A 114 59.458 18.733 7.472 1.00 0.00 ATOM 923 CA VAL A 114 60.887 18.933 7.296 1.00 0.00 ATOM 924 CB VAL A 114 61.625 17.595 7.101 1.00 0.00 ATOM 925 CG1 VAL A 114 61.474 16.719 8.335 1.00 0.00 ATOM 926 CG2 VAL A 114 61.059 16.843 5.906 1.00 0.00 ATOM 927 O VAL A 114 60.427 20.014 5.198 1.00 0.00 ATOM 928 C VAL A 114 61.245 19.787 6.095 1.00 0.00 ATOM 929 N ASP A 115 62.493 20.240 6.094 1.00 0.00 ATOM 930 CA ASP A 115 63.049 20.998 4.989 1.00 0.00 ATOM 931 CB ASP A 115 64.097 21.991 5.495 1.00 0.00 ATOM 932 CG ASP A 115 64.679 22.840 4.383 1.00 0.00 ATOM 933 OD1 ASP A 115 64.356 22.580 3.204 1.00 0.00 ATOM 934 OD2 ASP A 115 65.461 23.766 4.688 1.00 0.00 ATOM 935 O ASP A 115 64.532 19.153 4.621 1.00 0.00 ATOM 936 C ASP A 115 63.627 19.848 4.167 1.00 0.00 ATOM 937 N LEU A 116 63.053 19.585 2.982 1.00 0.00 ATOM 938 CA LEU A 116 63.481 18.506 2.083 1.00 0.00 ATOM 939 CB LEU A 116 62.720 18.581 0.757 1.00 0.00 ATOM 940 CG LEU A 116 63.059 17.509 -0.280 1.00 0.00 ATOM 941 CD1 LEU A 116 62.713 16.123 0.246 1.00 0.00 ATOM 942 CD2 LEU A 116 62.280 17.739 -1.565 1.00 0.00 ATOM 943 O LEU A 116 65.525 17.389 1.523 1.00 0.00 ATOM 944 C LEU A 116 64.951 18.470 1.678 1.00 0.00 ATOM 945 N ALA A 117 65.563 19.639 1.511 1.00 0.00 ATOM 946 CA ALA A 117 66.959 19.705 1.101 1.00 0.00 ATOM 947 CB ALA A 117 67.287 21.147 0.722 1.00 0.00 ATOM 948 O ALA A 117 68.954 18.605 1.825 1.00 0.00 ATOM 949 C ALA A 117 67.935 19.207 2.156 1.00 0.00 ATOM 950 N GLY A 118 67.618 19.447 3.422 1.00 0.00 ATOM 951 CA GLY A 118 68.484 19.010 4.511 1.00 0.00 ATOM 952 O GLY A 118 68.460 17.303 6.197 1.00 0.00 ATOM 953 C GLY A 118 67.842 17.875 5.297 1.00 0.00 ATOM 954 N PRO A 119 66.559 17.444 4.931 1.00 0.00 ATOM 955 CA PRO A 119 65.836 16.392 5.631 1.00 0.00 ATOM 956 CB PRO A 119 66.029 15.165 4.912 1.00 0.00 ATOM 957 CG PRO A 119 67.292 15.361 4.156 1.00 0.00 ATOM 958 CD PRO A 119 67.204 16.776 3.689 1.00 0.00 ATOM 959 O PRO A 119 66.135 15.740 7.923 1.00 0.00 ATOM 960 C PRO A 119 65.920 16.655 7.132 1.00 0.00 ATOM 961 N GLN A 120 65.751 17.917 7.517 1.00 0.00 ATOM 962 CA GLN A 120 65.787 18.294 8.926 1.00 0.00 ATOM 963 CB GLN A 120 66.865 19.349 9.185 1.00 0.00 ATOM 964 CG GLN A 120 68.284 18.857 8.947 1.00 0.00 ATOM 965 CD GLN A 120 69.321 19.937 9.185 1.00 0.00 ATOM 966 OE1 GLN A 120 68.988 21.061 9.560 1.00 0.00 ATOM 967 NE2 GLN A 120 70.587 19.597 8.969 1.00 0.00 ATOM 968 O GLN A 120 63.834 19.640 8.550 1.00 0.00 ATOM 969 C GLN A 120 64.424 18.864 9.302 1.00 0.00 ATOM 970 N SER A 121 63.902 18.483 10.478 1.00 0.00 ATOM 971 CA SER A 121 62.597 18.965 10.935 1.00 0.00 ATOM 972 CB SER A 121 62.323 18.497 12.366 1.00 0.00 ATOM 973 OG SER A 121 63.231 19.089 13.280 1.00 0.00 ATOM 974 O SER A 121 63.398 21.208 11.195 1.00 0.00 ATOM 975 C SER A 121 62.449 20.481 10.939 1.00 0.00 ATOM 976 N ALA A 122 61.269 20.956 10.672 1.00 0.00 ATOM 977 CA ALA A 122 60.904 22.353 10.704 1.00 0.00 ATOM 978 CB ALA A 122 61.024 22.945 9.309 1.00 0.00 ATOM 979 O ALA A 122 58.669 21.568 11.087 1.00 0.00 ATOM 980 C ALA A 122 59.481 22.493 11.212 1.00 0.00 ATOM 981 N PRO A 123 59.177 23.651 11.786 1.00 0.00 ATOM 982 CA PRO A 123 57.850 23.905 12.317 1.00 0.00 ATOM 983 CB PRO A 123 57.939 25.330 12.870 1.00 0.00 ATOM 984 CG PRO A 123 59.388 25.524 13.169 1.00 0.00 ATOM 985 CD PRO A 123 60.138 24.804 12.083 1.00 0.00 ATOM 986 O PRO A 123 57.099 23.993 10.037 1.00 0.00 ATOM 987 C PRO A 123 56.816 23.740 11.205 1.00 0.00 ATOM 988 N PHE A 124 55.649 23.239 11.562 1.00 0.00 ATOM 989 CA PHE A 124 54.577 23.080 10.595 1.00 0.00 ATOM 990 CB PHE A 124 53.334 22.872 11.244 1.00 0.00 ATOM 991 CG PHE A 124 53.048 21.489 10.726 1.00 0.00 ATOM 992 CD1 PHE A 124 52.221 21.308 9.610 1.00 0.00 ATOM 993 CD2 PHE A 124 53.648 20.375 11.331 1.00 0.00 ATOM 994 CE1 PHE A 124 51.977 20.022 9.103 1.00 0.00 ATOM 995 CE2 PHE A 124 53.409 19.068 10.822 1.00 0.00 ATOM 996 CZ PHE A 124 52.570 18.919 9.729 1.00 0.00 ATOM 997 O PHE A 124 54.089 25.408 10.897 1.00 0.00 ATOM 998 C PHE A 124 54.184 24.469 10.106 1.00 0.00 ATOM 999 N GLY A 125 53.951 24.622 8.797 1.00 0.00 ATOM 1000 CA GLY A 125 53.563 25.940 8.289 1.00 0.00 ATOM 1001 O GLY A 125 51.415 25.587 9.294 1.00 0.00 ATOM 1002 C GLY A 125 52.292 26.400 8.995 1.00 0.00 ATOM 1003 N HIS A 126 52.185 27.697 9.258 1.00 0.00 ATOM 1004 CA HIS A 126 51.006 28.223 9.932 1.00 0.00 ATOM 1005 CB HIS A 126 51.056 29.650 10.206 1.00 0.00 ATOM 1006 CG HIS A 126 52.368 30.082 10.773 1.00 0.00 ATOM 1007 CD2 HIS A 126 52.699 30.532 12.006 1.00 0.00 ATOM 1008 ND1 HIS A 126 53.528 30.114 10.029 1.00 0.00 ATOM 1009 CE1 HIS A 126 54.516 30.569 10.778 1.00 0.00 ATOM 1010 NE2 HIS A 126 54.038 30.830 11.982 1.00 0.00 ATOM 1011 O HIS A 126 48.679 27.761 9.569 1.00 0.00 ATOM 1012 C HIS A 126 49.763 28.057 9.063 1.00 0.00 ATOM 1013 N THR A 127 49.948 28.249 7.755 1.00 0.00 ATOM 1014 CA THR A 127 48.800 28.109 6.838 1.00 0.00 ATOM 1015 CB THR A 127 49.213 28.352 5.374 1.00 0.00 ATOM 1016 CG2 THR A 127 48.024 28.160 4.446 1.00 0.00 ATOM 1017 OG1 THR A 127 49.703 29.690 5.230 1.00 0.00 ATOM 1018 O THR A 127 46.899 26.653 7.039 1.00 0.00 ATOM 1019 C THR A 127 48.126 26.763 6.835 1.00 0.00 ATOM 1020 N THR A 128 48.867 25.660 6.649 1.00 0.00 ATOM 1021 CA THR A 128 48.289 24.324 6.693 1.00 0.00 ATOM 1022 CB THR A 128 49.359 23.275 6.268 1.00 0.00 ATOM 1023 CG2 THR A 128 48.788 21.882 6.400 1.00 0.00 ATOM 1024 OG1 THR A 128 49.717 23.520 4.908 1.00 0.00 ATOM 1025 O THR A 128 46.700 23.386 8.217 1.00 0.00 ATOM 1026 C THR A 128 47.750 24.014 8.083 1.00 0.00 ATOM 1027 N VAL A 129 48.464 24.449 9.118 1.00 0.00 ATOM 1028 CA VAL A 129 48.003 24.206 10.483 1.00 0.00 ATOM 1029 CB VAL A 129 49.035 24.749 11.509 1.00 0.00 ATOM 1030 CG1 VAL A 129 48.462 24.690 12.924 1.00 0.00 ATOM 1031 CG2 VAL A 129 50.325 23.941 11.413 1.00 0.00 ATOM 1032 O VAL A 129 45.704 24.341 11.295 1.00 0.00 ATOM 1033 C VAL A 129 46.668 24.896 10.705 1.00 0.00 ATOM 1034 N CYS A 130 46.580 26.146 10.196 1.00 0.00 ATOM 1035 CA CYS A 130 45.356 26.950 10.328 1.00 0.00 ATOM 1036 CB CYS A 130 45.478 28.373 9.927 1.00 0.00 ATOM 1037 SG CYS A 130 46.550 29.352 11.020 1.00 0.00 ATOM 1038 O CYS A 130 43.087 26.154 10.201 1.00 0.00 ATOM 1039 C CYS A 130 44.161 26.322 9.614 1.00 0.00 ATOM 1040 N ARG A 131 44.347 25.978 8.343 1.00 0.00 ATOM 1041 CA ARG A 131 43.264 25.389 7.565 1.00 0.00 ATOM 1042 CB ARG A 131 43.688 24.961 6.207 1.00 0.00 ATOM 1043 CG ARG A 131 43.870 26.169 5.288 1.00 0.00 ATOM 1044 CD ARG A 131 42.549 26.761 4.796 1.00 0.00 ATOM 1045 NE ARG A 131 41.952 25.861 3.813 1.00 0.00 ATOM 1046 CZ ARG A 131 40.674 25.836 3.470 1.00 0.00 ATOM 1047 NH1 ARG A 131 39.753 26.544 4.125 1.00 0.00 ATOM 1048 NH2 ARG A 131 40.283 25.080 2.439 1.00 0.00 ATOM 1049 O ARG A 131 41.600 23.769 8.155 1.00 0.00 ATOM 1050 C ARG A 131 42.797 24.058 8.145 1.00 0.00 ATOM 1051 N LEU A 132 43.734 23.247 8.629 1.00 0.00 ATOM 1052 CA LEU A 132 43.370 21.965 9.219 1.00 0.00 ATOM 1053 CB LEU A 132 44.617 21.151 9.566 1.00 0.00 ATOM 1054 CG LEU A 132 44.337 19.840 10.307 1.00 0.00 ATOM 1055 CD1 LEU A 132 43.450 18.951 9.451 1.00 0.00 ATOM 1056 CD2 LEU A 132 45.640 19.132 10.628 1.00 0.00 ATOM 1057 O LEU A 132 41.552 21.509 10.719 1.00 0.00 ATOM 1058 C LEU A 132 42.550 22.194 10.483 1.00 0.00 ATOM 1059 N ASN A 133 42.973 23.154 11.301 1.00 0.00 ATOM 1060 CA ASN A 133 42.246 23.461 12.528 1.00 0.00 ATOM 1061 CB ASN A 133 43.019 24.482 13.341 1.00 0.00 ATOM 1062 CG ASN A 133 44.053 23.747 14.189 1.00 0.00 ATOM 1063 ND2 ASN A 133 45.311 23.887 13.835 1.00 0.00 ATOM 1064 OD1 ASN A 133 43.731 23.072 15.181 1.00 0.00 ATOM 1065 O ASN A 133 39.850 23.567 12.855 1.00 0.00 ATOM 1066 C ASN A 133 40.821 23.939 12.177 1.00 0.00 ATOM 1067 N HIS A 134 40.717 24.727 11.142 1.00 0.00 ATOM 1068 CA HIS A 134 39.404 25.188 10.693 1.00 0.00 ATOM 1069 CB HIS A 134 39.521 26.176 9.542 1.00 0.00 ATOM 1070 CG HIS A 134 39.792 27.583 9.968 1.00 0.00 ATOM 1071 CD2 HIS A 134 40.889 28.364 9.822 1.00 0.00 ATOM 1072 ND1 HIS A 134 38.855 28.355 10.620 1.00 0.00 ATOM 1073 CE1 HIS A 134 39.363 29.552 10.856 1.00 0.00 ATOM 1074 NE2 HIS A 134 40.595 29.584 10.382 1.00 0.00 ATOM 1075 O HIS A 134 37.347 23.949 10.625 1.00 0.00 ATOM 1076 C HIS A 134 38.521 24.023 10.254 1.00 0.00 ATOM 1077 N LEU A 135 39.088 23.109 9.471 1.00 0.00 ATOM 1078 CA LEU A 135 38.337 21.951 8.988 1.00 0.00 ATOM 1079 CB LEU A 135 39.332 21.285 7.965 1.00 0.00 ATOM 1080 CG LEU A 135 38.895 19.906 7.476 1.00 0.00 ATOM 1081 CD1 LEU A 135 37.541 20.103 6.801 1.00 0.00 ATOM 1082 CD2 LEU A 135 39.981 19.523 6.458 1.00 0.00 ATOM 1083 O LEU A 135 36.715 20.697 10.238 1.00 0.00 ATOM 1084 C LEU A 135 37.868 21.118 10.173 1.00 0.00 ATOM 1085 N VAL A 136 38.760 20.893 11.130 1.00 0.00 ATOM 1086 CA VAL A 136 38.432 20.117 12.317 1.00 0.00 ATOM 1087 CB VAL A 136 39.733 19.926 13.167 1.00 0.00 ATOM 1088 CG1 VAL A 136 39.403 19.294 14.515 1.00 0.00 ATOM 1089 CG2 VAL A 136 40.713 19.050 12.394 1.00 0.00 ATOM 1090 O VAL A 136 36.437 20.116 13.662 1.00 0.00 ATOM 1091 C VAL A 136 37.344 20.785 13.160 1.00 0.00 ATOM 1092 N GLU A 137 37.396 22.116 13.275 1.00 0.00 ATOM 1093 CA GLU A 137 36.401 22.859 14.031 1.00 0.00 ATOM 1094 CB GLU A 137 36.738 24.350 14.089 1.00 0.00 ATOM 1095 CG GLU A 137 37.935 24.682 14.964 1.00 0.00 ATOM 1096 CD GLU A 137 38.314 26.148 14.902 1.00 0.00 ATOM 1097 OE1 GLU A 137 37.686 26.891 14.118 1.00 0.00 ATOM 1098 OE2 GLU A 137 39.240 26.554 15.634 1.00 0.00 ATOM 1099 O GLU A 137 34.046 22.522 14.097 1.00 0.00 ATOM 1100 C GLU A 137 35.031 22.735 13.404 1.00 0.00 ATOM 1101 N GLN A 138 34.944 22.851 12.050 1.00 0.00 ATOM 1102 CA GLN A 138 33.660 22.775 11.381 1.00 0.00 ATOM 1103 CB GLN A 138 33.831 22.949 9.871 1.00 0.00 ATOM 1104 CG GLN A 138 32.523 22.991 9.099 1.00 0.00 ATOM 1105 CD GLN A 138 31.665 24.184 9.471 1.00 0.00 ATOM 1106 OE1 GLN A 138 32.154 25.310 9.559 1.00 0.00 ATOM 1107 NE2 GLN A 138 30.377 23.940 9.689 1.00 0.00 ATOM 1108 O GLN A 138 31.777 21.309 11.670 1.00 0.00 ATOM 1109 C GLN A 138 32.997 21.406 11.544 1.00 0.00 ATOM 1110 N GLN A 139 33.808 20.356 11.554 1.00 0.00 ATOM 1111 CA GLN A 139 33.285 19.000 11.674 1.00 0.00 ATOM 1112 CB GLN A 139 33.988 18.050 10.703 1.00 0.00 ATOM 1113 CG GLN A 139 33.823 18.425 9.239 1.00 0.00 ATOM 1114 CD GLN A 139 32.372 18.431 8.799 1.00 0.00 ATOM 1115 OE1 GLN A 139 31.635 17.478 9.051 1.00 0.00 ATOM 1116 NE2 GLN A 139 31.959 19.505 8.137 1.00 0.00 ATOM 1117 O GLN A 139 33.024 17.250 13.307 1.00 0.00 ATOM 1118 C GLN A 139 33.400 18.422 13.083 1.00 0.00 ATOM 1119 N GLU A 140 33.942 19.202 14.017 1.00 0.00 ATOM 1120 CA GLU A 140 34.184 18.707 15.353 1.00 0.00 ATOM 1121 CB GLU A 140 34.750 19.746 16.325 1.00 0.00 ATOM 1122 CG GLU A 140 35.113 19.187 17.689 1.00 0.00 ATOM 1123 CD GLU A 140 35.758 20.222 18.591 1.00 0.00 ATOM 1124 OE1 GLU A 140 35.892 21.385 18.158 1.00 0.00 ATOM 1125 OE2 GLU A 140 36.130 19.869 19.731 1.00 0.00 ATOM 1126 O GLU A 140 32.928 17.216 16.716 1.00 0.00 ATOM 1127 C GLU A 140 32.908 18.192 15.972 1.00 0.00 ATOM 1128 N GLY A 141 31.800 18.842 15.665 1.00 0.00 ATOM 1129 CA GLY A 141 30.533 18.434 16.225 1.00 0.00 ATOM 1130 O GLY A 141 28.718 16.948 15.853 1.00 0.00 ATOM 1131 C GLY A 141 29.797 17.373 15.420 1.00 0.00 ATOM 1132 N ALA A 142 30.263 17.015 14.287 1.00 0.00 ATOM 1133 CA ALA A 142 29.595 16.041 13.448 1.00 0.00 ATOM 1134 CB ALA A 142 30.347 15.865 12.137 1.00 0.00 ATOM 1135 O ALA A 142 30.472 14.327 14.856 1.00 0.00 ATOM 1136 C ALA A 142 29.537 14.702 14.145 1.00 0.00 ATOM 1137 N GLN A 143 28.465 13.972 13.936 1.00 0.00 ATOM 1138 CA GLN A 143 28.234 12.709 14.623 1.00 0.00 ATOM 1139 CB GLN A 143 26.740 12.515 14.892 1.00 0.00 ATOM 1140 CG GLN A 143 26.120 13.603 15.753 1.00 0.00 ATOM 1141 CD GLN A 143 26.754 13.692 17.128 1.00 0.00 ATOM 1142 OE1 GLN A 143 26.915 12.684 17.814 1.00 0.00 ATOM 1143 NE2 GLN A 143 27.119 14.903 17.532 1.00 0.00 ATOM 1144 O GLN A 143 28.645 10.384 14.374 1.00 0.00 ATOM 1145 C GLN A 143 28.701 11.486 13.843 1.00 0.00 ATOM 1146 N ALA A 144 29.209 11.677 12.623 1.00 0.00 ATOM 1147 CA ALA A 144 29.596 10.586 11.748 1.00 0.00 ATOM 1148 CB ALA A 144 29.926 11.110 10.359 1.00 0.00 ATOM 1149 O ALA A 144 30.900 8.650 12.201 1.00 0.00 ATOM 1150 C ALA A 144 30.845 9.882 12.288 1.00 0.00 ATOM 1151 N PRO A 145 31.863 10.566 12.821 1.00 0.00 ATOM 1152 CA PRO A 145 33.046 9.823 13.298 1.00 0.00 ATOM 1153 CB PRO A 145 33.970 10.962 13.803 1.00 0.00 ATOM 1154 CG PRO A 145 33.606 12.121 12.902 1.00 0.00 ATOM 1155 CD PRO A 145 32.099 12.030 12.821 1.00 0.00 ATOM 1156 O PRO A 145 33.241 7.650 14.308 1.00 0.00 ATOM 1157 C PRO A 145 32.724 8.771 14.367 1.00 0.00 ATOM 1158 N GLN A 146 31.827 9.098 15.295 1.00 0.00 ATOM 1159 CA GLN A 146 31.386 8.125 16.288 1.00 0.00 ATOM 1160 CB GLN A 146 30.366 8.754 17.239 1.00 0.00 ATOM 1161 CG GLN A 146 30.955 9.784 18.191 1.00 0.00 ATOM 1162 CD GLN A 146 29.900 10.467 19.037 1.00 0.00 ATOM 1163 OE1 GLN A 146 28.703 10.240 18.856 1.00 0.00 ATOM 1164 NE2 GLN A 146 30.341 11.307 19.965 1.00 0.00 ATOM 1165 O GLN A 146 30.935 5.779 16.110 1.00 0.00 ATOM 1166 C GLN A 146 30.723 6.896 15.656 1.00 0.00 ATOM 1167 N TYR A 147 29.908 7.141 14.617 1.00 0.00 ATOM 1168 CA TYR A 147 29.247 6.063 13.924 1.00 0.00 ATOM 1169 CB TYR A 147 28.265 6.614 12.887 1.00 0.00 ATOM 1170 CG TYR A 147 27.528 5.544 12.114 1.00 0.00 ATOM 1171 CD1 TYR A 147 26.461 4.861 12.686 1.00 0.00 ATOM 1172 CD2 TYR A 147 27.899 5.222 10.815 1.00 0.00 ATOM 1173 CE1 TYR A 147 25.781 3.883 11.986 1.00 0.00 ATOM 1174 CE2 TYR A 147 27.229 4.246 10.100 1.00 0.00 ATOM 1175 CZ TYR A 147 26.164 3.576 10.699 1.00 0.00 ATOM 1176 OH TYR A 147 25.487 2.602 10.001 1.00 0.00 ATOM 1177 O TYR A 147 30.060 3.969 13.151 1.00 0.00 ATOM 1178 C TYR A 147 30.247 5.187 13.209 1.00 0.00 ATOM 1179 N MET A 148 31.288 5.802 12.654 1.00 0.00 ATOM 1180 CA MET A 148 32.330 5.077 11.951 1.00 0.00 ATOM 1181 CB MET A 148 33.355 5.942 11.298 1.00 0.00 ATOM 1182 CG MET A 148 32.799 6.801 10.178 1.00 0.00 ATOM 1183 SD MET A 148 32.330 5.868 8.691 1.00 0.00 ATOM 1184 CE MET A 148 30.589 5.756 8.907 1.00 0.00 ATOM 1185 O MET A 148 33.369 3.026 12.639 1.00 0.00 ATOM 1186 C MET A 148 33.089 4.178 12.948 1.00 0.00 ATOM 1187 N GLY A 149 33.313 4.712 14.243 1.00 0.00 ATOM 1188 CA GLY A 149 33.929 3.928 15.311 1.00 0.00 ATOM 1189 O GLY A 149 33.628 1.608 15.839 1.00 0.00 ATOM 1190 C GLY A 149 33.078 2.708 15.654 1.00 0.00 ATOM 1191 N ARG A 150 31.754 2.881 15.699 1.00 0.00 ATOM 1192 CA ARG A 150 30.841 1.750 15.909 1.00 0.00 ATOM 1193 CB ARG A 150 29.391 2.233 15.958 1.00 0.00 ATOM 1194 CG ARG A 150 29.040 3.020 17.212 1.00 0.00 ATOM 1195 CD ARG A 150 27.612 3.531 17.161 1.00 0.00 ATOM 1196 NE ARG A 150 27.266 4.312 18.347 1.00 0.00 ATOM 1197 CZ ARG A 150 26.105 4.933 18.520 1.00 0.00 ATOM 1198 NH1 ARG A 150 25.879 5.621 19.631 1.00 0.00 ATOM 1199 NH2 ARG A 150 25.170 4.866 17.582 1.00 0.00 ATOM 1200 O ARG A 150 30.900 -0.547 15.140 1.00 0.00 ATOM 1201 C ARG A 150 30.944 0.664 14.853 1.00 0.00 ATOM 1202 N THR A 151 31.039 1.086 13.578 1.00 0.00 ATOM 1203 CA THR A 151 31.200 0.130 12.482 1.00 0.00 ATOM 1204 CB THR A 151 31.196 0.826 11.108 1.00 0.00 ATOM 1205 CG2 THR A 151 31.353 -0.196 9.994 1.00 0.00 ATOM 1206 OG1 THR A 151 29.957 1.523 10.928 1.00 0.00 ATOM 1207 O THR A 151 32.526 -1.863 12.333 1.00 0.00 ATOM 1208 C THR A 151 32.509 -0.662 12.609 1.00 0.00 ATOM 1209 N ILE A 152 33.658 0.018 13.004 1.00 0.00 ATOM 1210 CA ILE A 152 34.914 -0.692 13.311 1.00 0.00 ATOM 1211 CB ILE A 152 35.998 0.257 13.790 1.00 0.00 ATOM 1212 CG1 ILE A 152 36.403 1.162 12.626 1.00 0.00 ATOM 1213 CG2 ILE A 152 37.215 -0.530 14.238 1.00 0.00 ATOM 1214 CD1 ILE A 152 37.343 2.310 13.013 1.00 0.00 ATOM 1215 O ILE A 152 35.012 -2.913 14.250 1.00 0.00 ATOM 1216 C ILE A 152 34.655 -1.739 14.396 1.00 0.00 ATOM 1217 N LYS A 153 34.072 -1.336 15.522 1.00 0.00 ATOM 1218 CA LYS A 153 33.808 -2.229 16.617 1.00 0.00 ATOM 1219 CB LYS A 153 33.225 -1.434 17.788 1.00 0.00 ATOM 1220 CG LYS A 153 34.222 -0.507 18.466 1.00 0.00 ATOM 1221 CD LYS A 153 33.579 0.246 19.618 1.00 0.00 ATOM 1222 CE LYS A 153 34.568 1.191 20.280 1.00 0.00 ATOM 1223 NZ LYS A 153 33.941 1.962 21.390 1.00 0.00 ATOM 1224 O LYS A 153 33.006 -4.501 16.623 1.00 0.00 ATOM 1225 C LYS A 153 32.804 -3.339 16.275 1.00 0.00 ATOM 1226 N LEU A 154 31.753 -3.063 15.600 1.00 0.00 ATOM 1227 CA LEU A 154 30.621 -3.951 15.361 1.00 0.00 ATOM 1228 CB LEU A 154 29.306 -3.244 15.695 1.00 0.00 ATOM 1229 CG LEU A 154 29.143 -2.758 17.137 1.00 0.00 ATOM 1230 CD1 LEU A 154 27.835 -2.001 17.306 1.00 0.00 ATOM 1231 CD2 LEU A 154 29.142 -3.933 18.103 1.00 0.00 ATOM 1232 O LEU A 154 30.753 -3.537 13.007 1.00 0.00 ATOM 1233 C LEU A 154 30.581 -4.378 13.906 1.00 0.00 ATOM 1234 N PRO A 155 30.301 -5.662 13.671 1.00 0.00 ATOM 1235 CA PRO A 155 30.272 -6.163 12.282 1.00 0.00 ATOM 1236 CB PRO A 155 29.877 -7.635 12.427 1.00 0.00 ATOM 1237 CG PRO A 155 30.373 -8.022 13.780 1.00 0.00 ATOM 1238 CD PRO A 155 30.138 -6.831 14.667 1.00 0.00 ATOM 1239 O PRO A 155 29.595 -5.055 10.254 1.00 0.00 ATOM 1240 C PRO A 155 29.287 -5.352 11.409 1.00 0.00 ATOM 1241 N ALA A 156 28.073 -5.079 11.941 1.00 0.00 ATOM 1242 CA ALA A 156 27.065 -4.363 11.186 1.00 0.00 ATOM 1243 CB ALA A 156 25.781 -4.260 11.995 1.00 0.00 ATOM 1244 O ALA A 156 27.289 -2.482 9.709 1.00 0.00 ATOM 1245 C ALA A 156 27.498 -2.939 10.840 1.00 0.00 ENDMDL EXPDTA 2hljA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hljA ATOM 1 N MET 1 27.564 14.973 11.852 1.00 0.00 ATOM 2 CA MET 1 28.287 15.019 10.594 1.00 0.00 ATOM 3 CB MET 1 29.056 16.325 10.443 1.00 0.00 ATOM 4 CG MET 1 28.123 17.540 10.175 1.00 0.00 ATOM 5 SD MET 1 26.825 17.255 8.688 1.00 0.00 ATOM 6 CE MET 1 25.243 16.487 9.701 1.00 0.00 ATOM 7 O MET 1 29.699 13.238 11.299 1.00 0.00 ATOM 8 C MET 1 29.152 13.790 10.358 1.00 0.00 ATOM 9 N PRO 2 29.204 13.317 9.097 1.00 0.00 ATOM 10 CA PRO 2 29.934 12.105 8.755 1.00 0.00 ATOM 11 CB PRO 2 29.689 11.980 7.239 1.00 0.00 ATOM 12 CG PRO 2 28.385 12.718 7.021 1.00 0.00 ATOM 13 CD PRO 2 28.526 13.885 7.912 1.00 0.00 ATOM 14 O PRO 2 31.929 13.342 9.080 1.00 0.00 ATOM 15 C PRO 2 31.423 12.236 9.030 1.00 0.00 ATOM 16 N ALA 3 32.112 11.104 9.168 1.00 0.00 ATOM 17 CA ALA 3 33.555 11.068 9.283 1.00 0.00 ATOM 18 CB ALA 3 33.990 9.653 9.409 1.00 0.00 ATOM 19 O ALA 3 33.773 11.699 6.966 1.00 0.00 ATOM 20 C ALA 3 34.279 11.687 8.083 1.00 0.00 ATOM 21 N LEU 4 35.502 12.155 8.321 1.00 0.00 ATOM 22 CA LEU 4 36.349 12.633 7.253 1.00 0.00 ATOM 23 CB LEU 4 37.523 13.441 7.833 1.00 0.00 ATOM 24 CG LEU 4 38.503 14.032 6.803 1.00 0.00 ATOM 25 CD1 LEU 4 37.841 15.085 5.883 1.00 0.00 ATOM 26 CD2 LEU 4 39.697 14.632 7.492 1.00 0.00 ATOM 27 O LEU 4 37.601 10.621 6.921 1.00 0.00 ATOM 28 C LEU 4 36.881 11.463 6.407 1.00 0.00 ATOM 29 N ILE 5 36.525 11.443 5.119 1.00 0.00 ATOM 30 CA ILE 5 37.101 10.525 4.131 1.00 0.00 ATOM 31 CB ILE 5 36.010 9.911 3.223 1.00 0.00 ATOM 32 CG1 ILE 5 35.056 9.081 4.068 1.00 0.00 ATOM 33 CG2 ILE 5 36.618 9.035 2.131 1.00 0.00 ATOM 34 CD1 ILE 5 33.861 8.575 3.344 1.00 0.00 ATOM 35 O ILE 5 37.880 12.310 2.724 1.00 0.00 ATOM 36 C ILE 5 38.155 11.279 3.301 1.00 0.00 ATOM 37 N THR 6 39.376 10.758 3.265 1.00 0.00 ATOM 38 CA THR 6 40.495 11.449 2.641 1.00 0.00 ATOM 39 CB THR 6 41.677 11.451 3.589 1.00 0.00 ATOM 40 CG2 THR 6 41.451 12.460 4.654 1.00 0.00 ATOM 41 OG1 THR 6 41.776 10.187 4.214 1.00 0.00 ATOM 42 O THR 6 41.559 11.506 0.466 1.00 0.00 ATOM 43 C THR 6 40.905 10.843 1.307 1.00 0.00 ATOM 44 N TYR 7 40.508 9.594 1.085 1.00 0.00 ATOM 45 CA TYR 7 41.002 8.860 -0.078 1.00 0.00 ATOM 46 CB TYR 7 42.472 8.421 0.126 1.00 0.00 ATOM 47 CG TYR 7 43.137 7.949 -1.150 1.00 0.00 ATOM 48 CD1 TYR 7 43.515 8.859 -2.111 1.00 0.00 ATOM 49 CD2 TYR 7 43.350 6.596 -1.406 1.00 0.00 ATOM 50 CE1 TYR 7 44.116 8.460 -3.279 1.00 0.00 ATOM 51 CE2 TYR 7 43.947 6.180 -2.593 1.00 0.00 ATOM 52 CZ TYR 7 44.331 7.126 -3.523 1.00 0.00 ATOM 53 OH TYR 7 44.933 6.778 -4.730 1.00 0.00 ATOM 54 O TYR 7 39.637 7.026 0.522 1.00 0.00 ATOM 55 C TYR 7 40.104 7.689 -0.384 1.00 0.00 ATOM 56 N ARG 8 39.830 7.474 -1.669 1.00 0.00 ATOM 57 CA ARG 8 39.085 6.301 -2.139 1.00 0.00 ATOM 58 CB ARG 8 37.695 6.672 -2.646 1.00 0.00 ATOM 59 CG ARG 8 36.857 7.507 -1.738 1.00 0.00 ATOM 60 CD ARG 8 35.556 7.867 -2.472 1.00 0.00 ATOM 61 NE ARG 8 34.625 8.612 -1.641 1.00 0.00 ATOM 62 CZ ARG 8 33.796 8.062 -0.749 1.00 0.00 ATOM 63 NH1 ARG 8 33.769 6.738 -0.540 1.00 0.00 ATOM 64 NH2 ARG 8 32.979 8.850 -0.049 1.00 0.00 ATOM 65 O ARG 8 40.302 6.446 -4.169 1.00 0.00 ATOM 66 C ARG 8 39.786 5.707 -3.318 1.00 0.00 ATOM 67 N THR 9 39.773 4.371 -3.406 1.00 0.00 ATOM 68 CA THR 9 40.371 3.690 -4.551 1.00 0.00 ATOM 69 CB THR 9 41.955 3.669 -4.490 1.00 0.00 ATOM 70 CG2 THR 9 42.485 2.763 -3.389 1.00 0.00 ATOM 71 OG1 THR 9 42.507 3.245 -5.739 1.00 0.00 ATOM 72 O THR 9 39.021 1.828 -3.798 1.00 0.00 ATOM 73 C THR 9 39.780 2.278 -4.667 1.00 0.00 ATOM 74 N THR 10 40.059 1.640 -5.792 1.00 0.00 ATOM 75 CA THR 10 39.698 0.239 -6.040 1.00 0.00 ATOM 76 CB THR 10 38.903 0.112 -7.363 1.00 0.00 ATOM 77 CG2 THR 10 38.564 -1.318 -7.699 1.00 0.00 ATOM 78 OG1 THR 10 37.665 0.809 -7.230 1.00 0.00 ATOM 79 O THR 10 41.972 -0.152 -6.674 1.00 0.00 ATOM 80 C THR 10 41.007 -0.555 -6.036 1.00 0.00 ATOM 81 N VAL 11 41.063 -1.655 -5.277 1.00 0.00 ATOM 82 CA VAL 11 42.267 -2.501 -5.246 1.00 0.00 ATOM 83 CB VAL 11 42.136 -3.622 -4.253 1.00 0.00 ATOM 84 CG1 VAL 11 43.330 -4.602 -4.320 1.00 0.00 ATOM 85 CG2 VAL 11 41.927 -3.039 -2.834 1.00 0.00 ATOM 86 O VAL 11 41.741 -3.841 -7.170 1.00 0.00 ATOM 87 C VAL 11 42.553 -3.091 -6.626 1.00 0.00 ATOM 88 N GLN 12 43.758 -2.807 -7.119 1.00 0.00 ATOM 89 CA GLN 12 44.190 -3.155 -8.469 1.00 0.00 ATOM 90 CB GLN 12 45.019 -1.996 -9.081 1.00 0.00 ATOM 91 CG GLN 12 45.610 -0.944 -8.082 1.00 0.00 ATOM 92 CD GLN 12 46.282 0.246 -8.794 1.00 0.00 ATOM 93 OE1 GLN 12 45.781 1.377 -8.765 1.00 0.00 ATOM 94 NE2 GLN 12 47.414 -0.008 -9.417 1.00 0.00 ATOM 95 O GLN 12 45.521 -4.813 -7.377 1.00 0.00 ATOM 96 C GLN 12 45.021 -4.443 -8.422 1.00 0.00 ATOM 97 N GLU 13 45.139 -5.112 -9.565 1.00 0.00 ATOM 98 CA GLU 13 45.858 -6.361 -9.672 1.00 0.00 ATOM 99 CB GLU 13 45.729 -6.940 -11.067 1.00 0.00 ATOM 100 CG GLU 13 46.037 -8.426 -11.138 1.00 0.00 ATOM 101 CD GLU 13 45.608 -9.077 -12.467 1.00 0.00 ATOM 102 OE1 GLU 13 44.820 -8.467 -13.228 1.00 0.00 ATOM 103 OE2 GLU 13 46.068 -10.211 -12.724 1.00 0.00 ATOM 104 O GLU 13 47.919 -7.214 -8.883 1.00 0.00 ATOM 105 C GLU 13 47.337 -6.239 -9.315 1.00 0.00 ATOM 106 N ASP 14 47.942 -5.059 -9.433 1.00 0.00 ATOM 107 CA ASP 14 49.367 -4.976 -9.065 1.00 0.00 ATOM 108 CB ASP 14 50.174 -4.009 -9.945 1.00 0.00 ATOM 109 CG ASP 14 49.620 -2.622 -9.955 1.00 0.00 ATOM 110 OD1 ASP 14 48.581 -2.384 -9.301 1.00 0.00 ATOM 111 OD2 ASP 14 50.222 -1.778 -10.662 1.00 0.00 ATOM 112 O ASP 14 50.759 -4.639 -7.147 1.00 0.00 ATOM 113 C ASP 14 49.604 -4.738 -7.581 1.00 0.00 ATOM 114 N TRP 15 48.528 -4.723 -6.800 1.00 0.00 ATOM 115 CA TRP 15 48.632 -4.683 -5.337 1.00 0.00 ATOM 116 CB TRP 15 47.690 -3.621 -4.789 1.00 0.00 ATOM 117 CG TRP 15 48.074 -2.224 -5.130 1.00 0.00 ATOM 118 CD1 TRP 15 49.217 -1.806 -5.751 1.00 0.00 ATOM 119 CD2 TRP 15 47.334 -1.063 -4.832 1.00 0.00 ATOM 120 CE2 TRP 15 48.083 0.030 -5.291 1.00 0.00 ATOM 121 CE3 TRP 15 46.104 -0.830 -4.209 1.00 0.00 ATOM 122 NE1 TRP 15 49.221 -0.470 -5.860 1.00 0.00 ATOM 123 CZ2 TRP 15 47.632 1.346 -5.184 1.00 0.00 ATOM 124 CZ3 TRP 15 45.660 0.473 -4.096 1.00 0.00 ATOM 125 CH2 TRP 15 46.425 1.547 -4.576 1.00 0.00 ATOM 126 O TRP 15 48.428 -6.031 -3.345 1.00 0.00 ATOM 127 C TRP 15 48.347 -5.985 -4.592 1.00 0.00 ATOM 128 N VAL 16 48.026 -7.043 -5.328 1.00 0.00 ATOM 129 CA VAL 16 47.586 -8.270 -4.733 1.00 0.00 ATOM 130 CB VAL 16 46.128 -8.669 -5.125 1.00 0.00 ATOM 131 CG1 VAL 16 45.135 -7.502 -4.869 1.00 0.00 ATOM 132 CG2 VAL 16 46.025 -9.150 -6.541 1.00 0.00 ATOM 133 O VAL 16 49.314 -9.342 -5.965 1.00 0.00 ATOM 134 C VAL 16 48.563 -9.398 -5.013 1.00 0.00 ATOM 135 N ASP 17 48.547 -10.394 -4.135 1.00 0.00 ATOM 136 CA ASP 17 49.379 -11.580 -4.265 1.00 0.00 ATOM 137 CB ASP 17 49.718 -12.189 -2.891 1.00 0.00 ATOM 138 CG ASP 17 48.492 -12.544 -2.069 1.00 0.00 ATOM 139 OD1 ASP 17 47.423 -12.825 -2.654 1.00 0.00 ATOM 140 OD2 ASP 17 48.593 -12.551 -0.828 1.00 0.00 ATOM 141 O ASP 17 47.612 -12.258 -5.761 1.00 0.00 ATOM 142 C ASP 17 48.656 -12.571 -5.184 1.00 0.00 ATOM 143 N TYR 18 49.240 -13.753 -5.340 1.00 0.00 ATOM 144 CA TYR 18 48.756 -14.756 -6.269 1.00 0.00 ATOM 145 CB TYR 18 49.697 -15.998 -6.236 1.00 0.00 ATOM 146 CG TYR 18 49.558 -16.901 -7.447 1.00 0.00 ATOM 147 CD1 TYR 18 49.936 -16.476 -8.724 1.00 0.00 ATOM 148 CD2 TYR 18 49.043 -18.188 -7.324 1.00 0.00 ATOM 149 CE1 TYR 18 49.784 -17.331 -9.848 1.00 0.00 ATOM 150 CE2 TYR 18 48.908 -19.027 -8.432 1.00 0.00 ATOM 151 CZ TYR 18 49.265 -18.600 -9.675 1.00 0.00 ATOM 152 OH TYR 18 49.101 -19.486 -10.726 1.00 0.00 ATOM 153 O TYR 18 46.531 -15.464 -6.857 1.00 0.00 ATOM 154 C TYR 18 47.309 -15.142 -5.958 1.00 0.00 ATOM 155 N ASN 19 46.959 -15.080 -4.678 1.00 0.00 ATOM 156 CA ASN 19 45.644 -15.429 -4.192 1.00 0.00 ATOM 157 CB ASN 19 45.815 -16.046 -2.822 1.00 0.00 ATOM 158 CG ASN 19 46.768 -17.257 -2.852 1.00 0.00 ATOM 159 ND2 ASN 19 47.409 -17.529 -1.731 1.00 0.00 ATOM 160 OD1 ASN 19 46.940 -17.912 -3.890 1.00 0.00 ATOM 161 O ASN 19 43.480 -14.444 -3.768 1.00 0.00 ATOM 162 C ASN 19 44.621 -14.277 -4.176 1.00 0.00 ATOM 163 N GLY 20 45.026 -13.116 -4.659 1.00 0.00 ATOM 164 CA GLY 20 44.105 -12.007 -4.861 1.00 0.00 ATOM 165 O GLY 20 42.980 -10.359 -3.580 1.00 0.00 ATOM 166 C GLY 20 43.911 -11.160 -3.624 1.00 0.00 ATOM 167 N HIS 21 44.828 -11.278 -2.658 1.00 0.00 ATOM 168 CA HIS 21 44.764 -10.448 -1.446 1.00 0.00 ATOM 169 CB HIS 21 44.979 -11.285 -0.212 1.00 0.00 ATOM 170 CG HIS 21 43.855 -12.226 0.055 1.00 0.00 ATOM 171 CD2 HIS 21 42.543 -12.159 -0.276 1.00 0.00 ATOM 172 ND1 HIS 21 44.035 -13.443 0.667 1.00 0.00 ATOM 173 CE1 HIS 21 42.876 -14.070 0.734 1.00 0.00 ATOM 174 NE2 HIS 21 41.952 -13.308 0.182 1.00 0.00 ATOM 175 O HIS 21 46.917 -9.441 -1.800 1.00 0.00 ATOM 176 C HIS 21 45.750 -9.290 -1.445 1.00 0.00 ATOM 177 N LEU 22 45.253 -8.137 -1.011 1.00 0.00 ATOM 178 CA LEU 22 46.038 -6.929 -0.880 1.00 0.00 ATOM 179 CB LEU 22 45.168 -5.836 -0.259 1.00 0.00 ATOM 180 CG LEU 22 45.761 -4.423 -0.115 1.00 0.00 ATOM 181 CD1 LEU 22 46.206 -3.876 -1.451 1.00 0.00 ATOM 182 CD2 LEU 22 44.769 -3.510 0.546 1.00 0.00 ATOM 183 O LEU 22 47.182 -7.698 1.115 1.00 0.00 ATOM 184 C LEU 22 47.286 -7.219 -0.025 1.00 0.00 ATOM 185 N ARG 23 48.463 -6.944 -0.589 1.00 0.00 ATOM 186 CA ARG 23 49.737 -7.077 0.152 1.00 0.00 ATOM 187 CB ARG 23 50.928 -6.968 -0.819 1.00 0.00 ATOM 188 CG ARG 23 52.303 -6.988 -0.126 1.00 0.00 ATOM 189 CD ARG 23 53.407 -6.694 -1.110 1.00 0.00 ATOM 190 NE ARG 23 53.558 -7.755 -2.096 1.00 0.00 ATOM 191 CZ ARG 23 54.198 -8.898 -1.855 1.00 0.00 ATOM 192 NH1 ARG 23 54.747 -9.161 -0.650 1.00 0.00 ATOM 193 NH2 ARG 23 54.270 -9.795 -2.823 1.00 0.00 ATOM 194 O ARG 23 49.318 -4.896 1.097 1.00 0.00 ATOM 195 C ARG 23 49.822 -6.026 1.261 1.00 0.00 ATOM 196 N ASP 24 50.448 -6.400 2.379 1.00 0.00 ATOM 197 CA ASP 24 50.537 -5.570 3.581 1.00 0.00 ATOM 198 CB ASP 24 51.442 -6.226 4.665 1.00 0.00 ATOM 199 CG ASP 24 52.843 -6.663 4.142 1.00 0.00 ATOM 200 OD1 ASP 24 53.255 -6.396 2.963 1.00 0.00 ATOM 201 OD2 ASP 24 53.521 -7.331 4.933 1.00 0.00 ATOM 202 O ASP 24 50.465 -3.165 3.782 1.00 0.00 ATOM 203 C ASP 24 51.032 -4.151 3.282 1.00 0.00 ATOM 204 N ALA 25 52.043 -4.033 2.420 1.00 0.00 ATOM 205 CA ALA 25 52.631 -2.710 2.171 1.00 0.00 ATOM 206 CB ALA 25 53.928 -2.849 1.405 1.00 0.00 ATOM 207 O ALA 25 51.757 -0.531 1.556 1.00 0.00 ATOM 208 C ALA 25 51.665 -1.762 1.439 1.00 0.00 ATOM 209 N PHE 26 50.750 -2.344 0.667 1.00 0.00 ATOM 210 CA PHE 26 49.842 -1.562 -0.150 1.00 0.00 ATOM 211 CB PHE 26 49.419 -2.310 -1.416 1.00 0.00 ATOM 212 CG PHE 26 50.533 -2.453 -2.435 1.00 0.00 ATOM 213 CD1 PHE 26 51.170 -1.343 -2.934 1.00 0.00 ATOM 214 CD2 PHE 26 50.963 -3.706 -2.859 1.00 0.00 ATOM 215 CE1 PHE 26 52.216 -1.473 -3.847 1.00 0.00 ATOM 216 CE2 PHE 26 51.996 -3.843 -3.749 1.00 0.00 ATOM 217 CZ PHE 26 52.625 -2.717 -4.245 1.00 0.00 ATOM 218 O PHE 26 48.035 -0.063 0.282 1.00 0.00 ATOM 219 C PHE 26 48.659 -1.050 0.673 1.00 0.00 ATOM 220 N TYR 27 48.368 -1.666 1.822 1.00 0.00 ATOM 221 CA TYR 27 47.445 -1.001 2.780 1.00 0.00 ATOM 222 CB TYR 27 47.225 -1.804 4.038 1.00 0.00 ATOM 223 CG TYR 27 46.448 -3.099 4.010 1.00 0.00 ATOM 224 CD1 TYR 27 47.019 -4.260 3.533 1.00 0.00 ATOM 225 CD2 TYR 27 45.179 -3.190 4.606 1.00 0.00 ATOM 226 CE1 TYR 27 46.338 -5.444 3.571 1.00 0.00 ATOM 227 CE2 TYR 27 44.489 -4.385 4.666 1.00 0.00 ATOM 228 CZ TYR 27 45.081 -5.523 4.145 1.00 0.00 ATOM 229 OH TYR 27 44.433 -6.751 4.188 1.00 0.00 ATOM 230 O TYR 27 47.450 1.370 3.187 1.00 0.00 ATOM 231 C TYR 27 48.093 0.318 3.206 1.00 0.00 ATOM 232 N LEU 28 49.385 0.262 3.550 1.00 0.00 ATOM 233 CA LEU 28 50.149 1.468 3.909 1.00 0.00 ATOM 234 CB LEU 28 51.510 1.126 4.537 1.00 0.00 ATOM 235 CG LEU 28 52.153 2.193 5.428 1.00 0.00 ATOM 236 CD1 LEU 28 51.393 2.420 6.762 1.00 0.00 ATOM 237 CD2 LEU 28 53.619 1.804 5.749 1.00 0.00 ATOM 238 O LEU 28 50.282 3.663 3.015 1.00 0.00 ATOM 239 C LEU 28 50.301 2.470 2.767 1.00 0.00 ATOM 240 N LEU 29 50.420 2.008 1.516 1.00 0.00 ATOM 241 CA LEU 29 50.413 2.914 0.381 1.00 0.00 ATOM 242 CB LEU 29 50.699 2.168 -0.947 1.00 0.00 ATOM 243 CG LEU 29 50.834 3.095 -2.144 1.00 0.00 ATOM 244 CD1 LEU 29 51.960 4.100 -1.943 1.00 0.00 ATOM 245 CD2 LEU 29 51.018 2.325 -3.467 1.00 0.00 ATOM 246 O LEU 29 49.147 4.943 0.021 1.00 0.00 ATOM 247 C LEU 29 49.120 3.716 0.262 1.00 0.00 ATOM 248 N ILE 30 47.989 3.030 0.399 1.00 0.00 ATOM 249 CA ILE 30 46.670 3.681 0.376 1.00 0.00 ATOM 250 CB ILE 30 45.527 2.639 0.555 1.00 0.00 ATOM 251 CG1 ILE 30 45.451 1.708 -0.640 1.00 0.00 ATOM 252 CG2 ILE 30 44.196 3.321 0.864 1.00 0.00 ATOM 253 CD1 ILE 30 44.718 0.431 -0.325 1.00 0.00 ATOM 254 O ILE 30 46.180 5.845 1.264 1.00 0.00 ATOM 255 C ILE 30 46.596 4.717 1.485 1.00 0.00 ATOM 256 N PHE 31 47.045 4.367 2.685 1.00 0.00 ATOM 257 CA PHE 31 47.129 5.378 3.737 1.00 0.00 ATOM 258 CB PHE 31 47.492 4.743 5.095 1.00 0.00 ATOM 259 CG PHE 31 46.471 3.786 5.653 1.00 0.00 ATOM 260 CD1 PHE 31 45.105 3.942 5.449 1.00 0.00 ATOM 261 CD2 PHE 31 46.892 2.778 6.533 1.00 0.00 ATOM 262 CE1 PHE 31 44.196 3.070 6.037 1.00 0.00 ATOM 263 CE2 PHE 31 46.005 1.876 7.052 1.00 0.00 ATOM 264 CZ PHE 31 44.650 2.034 6.847 1.00 0.00 ATOM 265 O PHE 31 47.789 7.706 3.804 1.00 0.00 ATOM 266 C PHE 31 48.088 6.560 3.435 1.00 0.00 ATOM 267 N SER 32 49.205 6.309 2.746 1.00 0.00 ATOM 268 CA SER 32 50.167 7.383 2.353 1.00 0.00 ATOM 269 CB SER 32 51.411 6.797 1.641 1.00 0.00 ATOM 270 OG SER 32 52.559 7.659 1.699 1.00 0.00 ATOM 271 O SER 32 49.703 9.599 1.556 1.00 0.00 ATOM 272 C SER 32 49.509 8.390 1.426 1.00 0.00 ATOM 273 N TYR 33 48.774 7.873 0.462 1.00 0.00 ATOM 274 CA TYR 33 48.018 8.701 -0.449 1.00 0.00 ATOM 275 CB TYR 33 47.345 7.872 -1.513 1.00 0.00 ATOM 276 CG TYR 33 48.261 7.206 -2.523 1.00 0.00 ATOM 277 CD1 TYR 33 49.508 7.742 -2.858 1.00 0.00 ATOM 278 CD2 TYR 33 47.843 6.071 -3.190 1.00 0.00 ATOM 279 CE1 TYR 33 50.327 7.119 -3.801 1.00 0.00 ATOM 280 CE2 TYR 33 48.634 5.465 -4.144 1.00 0.00 ATOM 281 CZ TYR 33 49.875 5.980 -4.445 1.00 0.00 ATOM 282 OH TYR 33 50.659 5.341 -5.395 1.00 0.00 ATOM 283 O TYR 33 46.732 10.628 0.018 1.00 0.00 ATOM 284 C TYR 33 46.968 9.487 0.320 1.00 0.00 ATOM 285 N ALA 34 46.380 8.868 1.331 1.00 0.00 ATOM 286 CA ALA 34 45.429 9.558 2.211 1.00 0.00 ATOM 287 CB ALA 34 44.815 8.592 3.213 1.00 0.00 ATOM 288 O ALA 34 45.478 11.797 3.093 1.00 0.00 ATOM 289 C ALA 34 46.087 10.725 2.952 1.00 0.00 ATOM 290 N THR 35 47.305 10.505 3.462 1.00 0.00 ATOM 291 CA THR 35 48.094 11.571 4.121 1.00 0.00 ATOM 292 CB THR 35 49.434 11.026 4.631 1.00 0.00 ATOM 293 CG2 THR 35 50.303 12.147 5.234 1.00 0.00 ATOM 294 OG1 THR 35 49.217 10.016 5.624 1.00 0.00 ATOM 295 O THR 35 48.170 13.884 3.466 1.00 0.00 ATOM 296 C THR 35 48.350 12.714 3.138 1.00 0.00 ATOM 297 N ASP 36 48.697 12.379 1.897 1.00 0.00 ATOM 298 CA ASP 36 48.915 13.418 0.886 1.00 0.00 ATOM 299 CB ASP 36 49.424 12.820 -0.422 1.00 0.00 ATOM 300 CG ASP 36 50.784 12.137 -0.289 1.00 0.00 ATOM 301 OD1 ASP 36 51.456 12.237 0.761 1.00 0.00 ATOM 302 OD2 ASP 36 51.173 11.461 -1.257 1.00 0.00 ATOM 303 O ASP 36 47.667 15.500 0.524 1.00 0.00 ATOM 304 C ASP 36 47.636 14.266 0.621 1.00 0.00 ATOM 305 N ALA 37 46.525 13.589 0.466 1.00 0.00 ATOM 306 CA ALA 37 45.237 14.237 0.288 1.00 0.00 ATOM 307 CB ALA 37 44.158 13.178 0.004 1.00 0.00 ATOM 308 O ALA 37 44.220 16.125 1.322 1.00 0.00 ATOM 309 C ALA 37 44.835 15.089 1.490 1.00 0.00 ATOM 310 N LEU 38 45.160 14.658 2.694 1.00 0.00 ATOM 311 CA LEU 38 44.912 15.478 3.867 1.00 0.00 ATOM 312 CB LEU 38 45.275 14.717 5.131 1.00 0.00 ATOM 313 CG LEU 38 44.951 15.438 6.433 1.00 0.00 ATOM 314 CD1 LEU 38 43.460 15.715 6.611 1.00 0.00 ATOM 315 CD2 LEU 38 45.528 14.688 7.600 1.00 0.00 ATOM 316 O LEU 38 45.206 17.856 4.142 1.00 0.00 ATOM 317 C LEU 38 45.714 16.793 3.794 1.00 0.00 ATOM 318 N MET 39 46.950 16.719 3.316 1.00 0.00 ATOM 319 CA MET 39 47.769 17.912 3.167 1.00 0.00 ATOM 320 CB MET 39 49.254 17.568 2.970 1.00 0.00 ATOM 321 CG MET 39 49.920 16.916 4.163 1.00 0.00 ATOM 322 SD MET 39 49.481 17.767 5.859 1.00 0.00 ATOM 323 CE MET 39 48.424 16.378 6.689 1.00 0.00 ATOM 324 O MET 39 47.217 20.046 2.231 1.00 0.00 ATOM 325 C MET 39 47.238 18.816 2.060 1.00 0.00 ATOM 326 N ASP 40 46.756 18.243 0.958 1.00 0.00 ATOM 327 CA ASP 40 46.018 19.059 -0.029 1.00 0.00 ATOM 328 CB ASP 40 45.507 18.232 -1.205 1.00 0.00 ATOM 329 CG ASP 40 46.593 17.801 -2.135 1.00 0.00 ATOM 330 OD1 ASP 40 47.650 18.492 -2.195 1.00 0.00 ATOM 331 OD2 ASP 40 46.384 16.752 -2.807 1.00 0.00 ATOM 332 O ASP 40 44.537 20.942 0.266 1.00 0.00 ATOM 333 C ASP 40 44.803 19.777 0.572 1.00 0.00 ATOM 334 N ARG 41 44.070 19.093 1.427 1.00 0.00 ATOM 335 CA ARG 41 42.876 19.689 2.028 1.00 0.00 ATOM 336 CB ARG 41 42.129 18.678 2.906 1.00 0.00 ATOM 337 CG ARG 41 41.361 17.644 2.177 1.00 0.00 ATOM 338 CD ARG 41 40.597 16.839 3.202 1.00 0.00 ATOM 339 NE ARG 41 39.755 15.810 2.599 1.00 0.00 ATOM 340 CZ ARG 41 38.431 15.890 2.492 1.00 0.00 ATOM 341 NH1 ARG 41 37.756 16.929 2.974 1.00 0.00 ATOM 342 NH2 ARG 41 37.785 14.902 1.916 1.00 0.00 ATOM 343 O ARG 41 42.473 21.870 2.898 1.00 0.00 ATOM 344 C ARG 41 43.209 20.880 2.897 1.00 0.00 ATOM 345 N ILE 42 44.290 20.783 3.668 1.00 0.00 ATOM 346 CA ILE 42 44.677 21.912 4.481 1.00 0.00 ATOM 347 CB ILE 42 45.178 21.505 5.875 1.00 0.00 ATOM 348 CG1 ILE 42 46.527 20.810 5.842 1.00 0.00 ATOM 349 CG2 ILE 42 44.124 20.643 6.603 1.00 0.00 ATOM 350 CD1 ILE 42 47.102 20.632 7.258 1.00 0.00 ATOM 351 O ILE 42 46.023 23.852 4.305 1.00 0.00 ATOM 352 C ILE 42 45.634 22.849 3.756 1.00 0.00 ATOM 353 N GLY 43 45.976 22.540 2.504 1.00 0.00 ATOM 354 CA GLY 43 46.806 23.421 1.673 1.00 0.00 ATOM 355 O GLY 43 48.809 24.630 2.015 1.00 0.00 ATOM 356 C GLY 43 48.211 23.588 2.193 1.00 0.00 ATOM 357 N LEU 44 48.774 22.548 2.780 1.00 0.00 ATOM 358 CA LEU 44 50.099 22.656 3.388 1.00 0.00 ATOM 359 CB LEU 44 50.400 21.487 4.300 1.00 0.00 ATOM 360 CG LEU 44 51.832 21.431 4.875 1.00 0.00 ATOM 361 CD1 LEU 44 52.131 22.580 5.813 1.00 0.00 ATOM 362 CD2 LEU 44 52.091 20.116 5.574 1.00 0.00 ATOM 363 O LEU 44 51.234 21.837 1.466 1.00 0.00 ATOM 364 C LEU 44 51.138 22.739 2.296 1.00 0.00 ATOM 365 N ASP 45 51.901 23.826 2.306 1.00 0.00 ATOM 366 CA ASP 45 52.951 24.084 1.310 1.00 0.00 ATOM 367 CB ASP 45 54.141 23.169 1.541 1.00 0.00 ATOM 368 CG ASP 45 54.803 23.400 2.878 1.00 0.00 ATOM 369 OD1 ASP 45 55.131 24.566 3.207 1.00 0.00 ATOM 370 OD2 ASP 45 55.021 22.408 3.595 1.00 0.00 ATOM 371 O ASP 45 53.173 23.494 -0.989 1.00 0.00 ATOM 372 C ASP 45 52.447 23.945 -0.121 1.00 0.00 ATOM 373 N ALA 46 51.222 24.410 -0.350 1.00 0.00 ATOM 374 CA ALA 46 50.509 24.226 -1.618 1.00 0.00 ATOM 375 CB ALA 46 49.075 24.749 -1.479 1.00 0.00 ATOM 376 O ALA 46 50.960 24.461 -3.985 1.00 0.00 ATOM 377 C ALA 46 51.174 24.871 -2.831 1.00 0.00 ATOM 378 N ASP 47 51.954 25.900 -2.590 1.00 0.00 ATOM 379 CA ASP 47 52.533 26.634 -3.671 1.00 0.00 ATOM 380 CB ASP 47 52.376 28.122 -3.366 1.00 0.00 ATOM 381 CG ASP 47 50.910 28.538 -3.282 1.00 0.00 ATOM 382 OD1 ASP 47 50.075 28.004 -4.064 1.00 0.00 ATOM 383 OD2 ASP 47 50.613 29.389 -2.427 1.00 0.00 ATOM 384 O ASP 47 54.681 26.987 -4.680 1.00 0.00 ATOM 385 C ASP 47 54.003 26.275 -3.934 1.00 0.00 ATOM 386 N SER 48 54.502 25.214 -3.308 1.00 0.00 ATOM 387 CA SER 48 55.922 24.823 -3.469 1.00 0.00 ATOM 388 CB SER 48 56.725 25.166 -2.218 1.00 0.00 ATOM 389 OG SER 48 56.434 24.258 -1.166 1.00 0.00 ATOM 390 O SER 48 55.043 22.632 -3.908 1.00 0.00 ATOM 391 C SER 48 56.051 23.328 -3.761 1.00 0.00 ATOM 392 N ARG 49 57.291 22.847 -3.903 1.00 0.00 ATOM 393 CA ARG 49 57.516 21.405 -4.055 1.00 0.00 ATOM 394 CB ARG 49 58.953 21.108 -4.525 1.00 0.00 ATOM 395 CG ARG 49 59.256 21.657 -5.921 1.00 0.00 ATOM 396 CD ARG 49 60.507 21.091 -6.513 1.00 0.00 ATOM 397 NE ARG 49 60.682 21.538 -7.907 1.00 0.00 ATOM 398 CZ ARG 49 61.603 21.067 -8.744 1.00 0.00 ATOM 399 NH1 ARG 49 62.445 20.122 -8.357 1.00 0.00 ATOM 400 NH2 ARG 49 61.662 21.524 -9.988 1.00 0.00 ATOM 401 O ARG 49 57.181 19.380 -2.827 1.00 0.00 ATOM 402 C ARG 49 57.184 20.613 -2.792 1.00 0.00 ATOM 403 N GLY 50 56.931 21.278 -1.667 1.00 0.00 ATOM 404 CA GLY 50 56.427 20.575 -0.446 1.00 0.00 ATOM 405 O GLY 50 54.478 19.461 0.458 1.00 0.00 ATOM 406 C GLY 50 54.958 20.173 -0.460 1.00 0.00 ATOM 407 N GLN 51 54.232 20.595 -1.503 1.00 0.00 ATOM 408 CA GLN 51 52.794 20.344 -1.616 1.00 0.00 ATOM 409 CB GLN 51 52.241 20.936 -2.922 1.00 0.00 ATOM 410 CG GLN 51 52.783 20.329 -4.204 1.00 0.00 ATOM 411 CD GLN 51 52.282 21.041 -5.473 1.00 0.00 ATOM 412 OE1 GLN 51 52.367 22.253 -5.610 1.00 0.00 ATOM 413 NE2 GLN 51 51.769 20.271 -6.400 1.00 0.00 ATOM 414 O GLN 51 53.306 17.988 -1.755 1.00 0.00 ATOM 415 C GLN 51 52.451 18.850 -1.525 1.00 0.00 ATOM 416 N SER 52 51.207 18.563 -1.153 1.00 0.00 ATOM 417 CA SER 52 50.616 17.236 -1.281 1.00 0.00 ATOM 418 CB SER 52 50.521 16.851 -2.763 1.00 0.00 ATOM 419 OG SER 52 49.756 17.785 -3.467 1.00 0.00 ATOM 420 O SER 52 51.594 15.098 -1.035 1.00 0.00 ATOM 421 C SER 52 51.385 16.190 -0.527 1.00 0.00 ATOM 422 N GLY 53 51.804 16.519 0.700 1.00 0.00 ATOM 423 CA GLY 53 52.571 15.613 1.503 1.00 0.00 ATOM 424 O GLY 53 54.799 15.009 2.053 1.00 0.00 ATOM 425 C GLY 53 54.073 15.581 1.260 1.00 0.00 ATOM 426 N ASN 54 54.576 16.216 0.206 1.00 0.00 ATOM 427 CA ASN 54 56.010 16.151 -0.047 1.00 0.00 ATOM 428 CB ASN 54 56.382 16.796 -1.394 1.00 0.00 ATOM 429 CG ASN 54 55.937 15.962 -2.609 1.00 0.00 ATOM 430 ND2 ASN 54 55.582 16.635 -3.695 1.00 0.00 ATOM 431 OD1 ASN 54 55.942 14.740 -2.573 1.00 0.00 ATOM 432 O ASN 54 58.008 16.318 1.237 1.00 0.00 ATOM 433 C ASN 54 56.867 16.735 1.078 1.00 0.00 ATOM 434 N SER 55 56.334 17.663 1.867 1.00 0.00 ATOM 435 CA SER 55 57.100 18.269 2.975 1.00 0.00 ATOM 436 CB SER 55 56.618 19.702 3.232 1.00 0.00 ATOM 437 OG SER 55 55.219 19.690 3.483 1.00 0.00 ATOM 438 O SER 55 57.320 18.024 5.336 1.00 0.00 ATOM 439 C SER 55 56.937 17.509 4.282 1.00 0.00 ATOM 440 N LEU 56 56.331 16.323 4.251 1.00 0.00 ATOM 441 CA LEU 56 56.197 15.505 5.460 1.00 0.00 ATOM 442 CB LEU 56 54.762 15.048 5.634 1.00 0.00 ATOM 443 CG LEU 56 53.720 16.103 5.937 1.00 0.00 ATOM 444 CD1 LEU 56 52.414 15.397 6.176 1.00 0.00 ATOM 445 CD2 LEU 56 54.107 16.958 7.144 1.00 0.00 ATOM 446 O LEU 56 57.086 13.578 4.361 1.00 0.00 ATOM 447 C LEU 56 57.089 14.263 5.370 1.00 0.00 ATOM 448 N PHE 57 57.828 13.971 6.423 1.00 0.00 ATOM 449 CA PHE 57 58.586 12.740 6.506 1.00 0.00 ATOM 450 CB PHE 57 60.033 13.053 6.903 1.00 0.00 ATOM 451 CG PHE 57 60.932 11.821 7.058 1.00 0.00 ATOM 452 CD1 PHE 57 61.358 11.096 5.942 1.00 0.00 ATOM 453 CD2 PHE 57 61.345 11.401 8.321 1.00 0.00 ATOM 454 CE1 PHE 57 62.192 9.973 6.087 1.00 0.00 ATOM 455 CE2 PHE 57 62.182 10.283 8.488 1.00 0.00 ATOM 456 CZ PHE 57 62.605 9.565 7.373 1.00 0.00 ATOM 457 O PHE 57 57.701 12.339 8.697 1.00 0.00 ATOM 458 C PHE 57 57.899 11.888 7.566 1.00 0.00 ATOM 459 N THR 58 57.496 10.678 7.213 1.00 0.00 ATOM 460 CA THR 58 56.890 9.818 8.210 1.00 0.00 ATOM 461 CB THR 58 56.178 8.637 7.586 1.00 0.00 ATOM 462 CG2 THR 58 55.418 7.890 8.680 1.00 0.00 ATOM 463 OG1 THR 58 55.247 9.092 6.588 1.00 0.00 ATOM 464 O THR 58 58.969 8.763 8.678 1.00 0.00 ATOM 465 C THR 58 57.998 9.332 9.143 1.00 0.00 ATOM 466 N LEU 59 57.857 9.611 10.432 1.00 0.00 ATOM 467 CA LEU 59 58.846 9.234 11.436 1.00 0.00 ATOM 468 CB LEU 59 58.745 10.141 12.665 1.00 0.00 ATOM 469 CG LEU 59 59.191 11.581 12.459 1.00 0.00 ATOM 470 CD1 LEU 59 58.855 12.427 13.662 1.00 0.00 ATOM 471 CD2 LEU 59 60.670 11.600 12.152 1.00 0.00 ATOM 472 O LEU 59 59.625 7.052 12.070 1.00 0.00 ATOM 473 C LEU 59 58.657 7.774 11.868 1.00 0.00 ATOM 474 N GLU 60 57.400 7.364 11.972 1.00 0.00 ATOM 475 CA GLU 60 57.030 6.154 12.689 1.00 0.00 ATOM 476 CB GLU 60 57.198 6.416 14.187 1.00 0.00 ATOM 477 CG GLU 60 57.251 5.207 15.070 1.00 0.00 ATOM 478 CD GLU 60 57.560 5.558 16.521 1.00 0.00 ATOM 479 OE1 GLU 60 57.820 6.746 16.861 1.00 0.00 ATOM 480 OE2 GLU 60 57.570 4.623 17.328 1.00 0.00 ATOM 481 O GLU 60 54.753 6.745 12.301 1.00 0.00 ATOM 482 C GLU 60 55.576 5.842 12.393 1.00 0.00 ATOM 483 N ALA 61 55.250 4.561 12.276 1.00 0.00 ATOM 484 CA ALA 61 53.892 4.128 12.065 1.00 0.00 ATOM 485 CB ALA 61 53.552 4.121 10.559 1.00 0.00 ATOM 486 O ALA 61 54.610 1.903 12.635 1.00 0.00 ATOM 487 C ALA 61 53.689 2.743 12.641 1.00 0.00 ATOM 488 N HIS 62 52.487 2.520 13.172 1.00 0.00 ATOM 489 CA HIS 62 52.033 1.183 13.538 1.00 0.00 ATOM 490 CB HIS 62 51.514 1.125 14.983 1.00 0.00 ATOM 491 CG HIS 62 51.578 -0.249 15.583 1.00 0.00 ATOM 492 CD2 HIS 62 52.615 -0.987 16.044 1.00 0.00 ATOM 493 ND1 HIS 62 50.470 -1.048 15.692 1.00 0.00 ATOM 494 CE1 HIS 62 50.819 -2.213 16.196 1.00 0.00 ATOM 495 NE2 HIS 62 52.116 -2.205 16.417 1.00 0.00 ATOM 496 O HIS 62 50.196 1.751 12.154 1.00 0.00 ATOM 497 C HIS 62 50.904 0.855 12.582 1.00 0.00 ATOM 498 N ILE 63 50.744 -0.411 12.224 1.00 0.00 ATOM 499 CA ILE 63 49.594 -0.795 11.448 1.00 0.00 ATOM 500 CB ILE 63 49.870 -0.732 9.917 1.00 0.00 ATOM 501 CG1 ILE 63 48.682 -1.261 9.150 1.00 0.00 ATOM 502 CG2 ILE 63 51.078 -1.489 9.530 1.00 0.00 ATOM 503 CD1 ILE 63 48.761 -0.826 7.716 1.00 0.00 ATOM 504 O ILE 63 49.806 -3.086 12.094 1.00 0.00 ATOM 505 C ILE 63 49.059 -2.126 11.900 1.00 0.00 ATOM 506 N ASN 64 47.753 -2.148 12.129 1.00 0.00 ATOM 507 CA ASN 64 47.044 -3.383 12.429 1.00 0.00 ATOM 508 CB ASN 64 46.124 -3.159 13.591 1.00 0.00 ATOM 509 CG ASN 64 46.892 -2.849 14.832 1.00 0.00 ATOM 510 ND2 ASN 64 47.129 -3.865 15.641 1.00 0.00 ATOM 511 OD1 ASN 64 47.332 -1.716 15.031 1.00 0.00 ATOM 512 O ASN 64 45.459 -3.016 10.742 1.00 0.00 ATOM 513 C ASN 64 46.240 -3.810 11.248 1.00 0.00 ATOM 514 N TYR 65 46.367 -5.077 10.860 1.00 0.00 ATOM 515 CA TYR 65 45.610 -5.600 9.724 1.00 0.00 ATOM 516 CB TYR 65 46.533 -6.340 8.768 1.00 0.00 ATOM 517 CG TYR 65 47.711 -5.545 8.264 1.00 0.00 ATOM 518 CD1 TYR 65 48.938 -5.557 8.945 1.00 0.00 ATOM 519 CD2 TYR 65 47.652 -4.882 7.037 1.00 0.00 ATOM 520 CE1 TYR 65 50.027 -4.874 8.454 1.00 0.00 ATOM 521 CE2 TYR 65 48.737 -4.226 6.546 1.00 0.00 ATOM 522 CZ TYR 65 49.912 -4.201 7.251 1.00 0.00 ATOM 523 OH TYR 65 50.978 -3.509 6.712 1.00 0.00 ATOM 524 O TYR 65 44.921 -7.599 10.804 1.00 0.00 ATOM 525 C TYR 65 44.564 -6.564 10.264 1.00 0.00 ATOM 526 N LEU 66 43.290 -6.173 10.184 1.00 0.00 ATOM 527 CA LEU 66 42.189 -6.953 10.748 1.00 0.00 ATOM 528 CB LEU 66 41.122 -6.027 11.346 1.00 0.00 ATOM 529 CG LEU 66 41.533 -5.139 12.530 1.00 0.00 ATOM 530 CD1 LEU 66 42.320 -5.920 13.603 1.00 0.00 ATOM 531 CD2 LEU 66 42.337 -3.940 12.118 1.00 0.00 ATOM 532 O LEU 66 41.095 -8.953 10.081 1.00 0.00 ATOM 533 C LEU 66 41.573 -7.891 9.718 1.00 0.00 ATOM 534 N HIS 67 41.616 -7.517 8.438 1.00 0.00 ATOM 535 CA HIS 67 40.968 -8.279 7.385 1.00 0.00 ATOM 536 CB HIS 67 39.551 -7.777 7.175 1.00 0.00 ATOM 537 CG HIS 67 38.687 -7.954 8.375 1.00 0.00 ATOM 538 CD2 HIS 67 38.361 -7.103 9.374 1.00 0.00 ATOM 539 ND1 HIS 67 38.096 -9.158 8.684 1.00 0.00 ATOM 540 CE1 HIS 67 37.416 -9.032 9.810 1.00 0.00 ATOM 541 NE2 HIS 67 37.568 -7.798 10.254 1.00 0.00 ATOM 542 O HIS 67 42.288 -7.141 5.697 1.00 0.00 ATOM 543 C HIS 67 41.703 -8.180 6.065 1.00 0.00 ATOM 544 N GLU 68 41.693 -9.303 5.377 1.00 0.00 ATOM 545 CA GLU 68 42.156 -9.382 3.990 1.00 0.00 ATOM 546 CB GLU 68 42.160 -10.836 3.497 1.00 0.00 ATOM 547 CG GLU 68 40.766 -11.398 3.156 1.00 0.00 ATOM 548 CD GLU 68 39.842 -11.555 4.391 1.00 0.00 ATOM 549 OE1 GLU 68 40.358 -11.658 5.538 1.00 0.00 ATOM 550 OE2 GLU 68 38.600 -11.581 4.211 1.00 0.00 ATOM 551 O GLU 68 40.079 -8.337 3.398 1.00 0.00 ATOM 552 C GLU 68 41.271 -8.525 3.120 1.00 0.00 ATOM 553 N VAL 69 41.855 -8.003 2.051 1.00 0.00 ATOM 554 CA VAL 69 41.118 -7.204 1.104 1.00 0.00 ATOM 555 CB VAL 69 41.530 -5.719 1.196 1.00 0.00 ATOM 556 CG1 VAL 69 40.759 -4.902 0.214 1.00 0.00 ATOM 557 CG2 VAL 69 41.302 -5.203 2.628 1.00 0.00 ATOM 558 O VAL 69 42.541 -7.991 -0.642 1.00 0.00 ATOM 559 C VAL 69 41.393 -7.785 -0.259 1.00 0.00 ATOM 560 N LYS 70 40.327 -8.087 -0.977 1.00 0.00 ATOM 561 CA LYS 70 40.435 -8.828 -2.201 1.00 0.00 ATOM 562 CB LYS 70 39.254 -9.815 -2.342 1.00 0.00 ATOM 563 CG LYS 70 39.152 -10.907 -1.272 1.00 0.00 ATOM 564 CD LYS 70 37.902 -11.733 -1.506 1.00 0.00 ATOM 565 CE LYS 70 37.699 -12.835 -0.466 1.00 0.00 ATOM 566 NZ LYS 70 38.827 -13.818 -0.400 1.00 0.00 ATOM 567 O LYS 70 40.069 -6.736 -3.400 1.00 0.00 ATOM 568 C LYS 70 40.517 -7.892 -3.422 1.00 0.00 ATOM 569 N LEU 71 41.074 -8.415 -4.498 1.00 0.00 ATOM 570 CA LEU 71 41.009 -7.745 -5.811 1.00 0.00 ATOM 571 CB LEU 71 41.308 -8.750 -6.908 1.00 0.00 ATOM 572 CG LEU 71 41.399 -8.210 -8.343 1.00 0.00 ATOM 573 CD1 LEU 71 42.577 -7.232 -8.462 1.00 0.00 ATOM 574 CD2 LEU 71 41.589 -9.379 -9.298 1.00 0.00 ATOM 575 O LEU 71 38.616 -7.734 -5.989 1.00 0.00 ATOM 576 C LEU 71 39.654 -7.099 -6.123 1.00 0.00 ATOM 577 N GLY 72 39.674 -5.833 -6.546 1.00 0.00 ATOM 578 CA GLY 72 38.462 -5.130 -6.995 1.00 0.00 ATOM 579 O GLY 72 36.637 -3.841 -6.147 1.00 0.00 ATOM 580 C GLY 72 37.629 -4.521 -5.892 1.00 0.00 ATOM 581 N THR 73 38.023 -4.723 -4.650 1.00 0.00 ATOM 582 CA THR 73 37.314 -4.120 -3.577 1.00 0.00 ATOM 583 CB THR 73 37.821 -4.649 -2.239 1.00 0.00 ATOM 584 CG2 THR 73 36.993 -4.080 -1.108 1.00 0.00 ATOM 585 OG1 THR 73 37.712 -6.081 -2.222 1.00 0.00 ATOM 586 O THR 73 38.583 -2.062 -3.808 1.00 0.00 ATOM 587 C THR 73 37.458 -2.592 -3.632 1.00 0.00 ATOM 588 N GLU 74 36.319 -1.893 -3.512 1.00 0.00 ATOM 589 CA GLU 74 36.301 -0.432 -3.400 1.00 0.00 ATOM 590 CB GLU 74 34.979 0.136 -3.903 1.00 0.00 ATOM 591 CG GLU 74 34.785 -0.101 -5.411 1.00 0.00 ATOM 592 CD GLU 74 33.306 -0.062 -5.855 1.00 0.00 ATOM 593 OE1 GLU 74 32.528 -0.977 -5.480 1.00 0.00 ATOM 594 OE2 GLU 74 32.947 0.865 -6.610 1.00 0.00 ATOM 595 O GLU 74 35.697 -0.480 -1.114 1.00 0.00 ATOM 596 C GLU 74 36.491 -0.086 -1.941 1.00 0.00 ATOM 597 N VAL 75 37.545 0.652 -1.639 1.00 0.00 ATOM 598 CA VAL 75 37.870 0.961 -0.266 1.00 0.00 ATOM 599 CB VAL 75 39.164 0.218 0.226 1.00 0.00 ATOM 600 CG1 VAL 75 38.975 -1.314 0.208 1.00 0.00 ATOM 601 CG2 VAL 75 40.439 0.656 -0.554 1.00 0.00 ATOM 602 O VAL 75 38.278 3.166 -1.090 1.00 0.00 ATOM 603 C VAL 75 38.032 2.461 -0.115 1.00 0.00 ATOM 604 N TRP 76 37.905 2.932 1.118 1.00 0.00 ATOM 605 CA TRP 76 38.165 4.320 1.449 1.00 0.00 ATOM 606 CB TRP 76 36.862 5.167 1.479 1.00 0.00 ATOM 607 CG TRP 76 35.913 4.919 2.581 1.00 0.00 ATOM 608 CD1 TRP 76 35.945 5.474 3.842 1.00 0.00 ATOM 609 CD2 TRP 76 34.743 4.101 2.538 1.00 0.00 ATOM 610 CE2 TRP 76 34.132 4.173 3.801 1.00 0.00 ATOM 611 CE3 TRP 76 34.160 3.286 1.555 1.00 0.00 ATOM 612 NE1 TRP 76 34.873 5.027 4.572 1.00 0.00 ATOM 613 CZ2 TRP 76 32.971 3.460 4.115 1.00 0.00 ATOM 614 CZ3 TRP 76 33.003 2.599 1.869 1.00 0.00 ATOM 615 CH2 TRP 76 32.437 2.675 3.143 1.00 0.00 ATOM 616 O TRP 76 38.811 3.534 3.629 1.00 0.00 ATOM 617 C TRP 76 38.882 4.435 2.777 1.00 0.00 ATOM 618 N VAL 77 39.546 5.580 2.953 1.00 0.00 ATOM 619 CA VAL 77 40.256 5.880 4.189 1.00 0.00 ATOM 620 CB VAL 77 41.692 6.405 3.885 1.00 0.00 ATOM 621 CG1 VAL 77 42.493 6.538 5.152 1.00 0.00 ATOM 622 CG2 VAL 77 42.379 5.497 2.906 1.00 0.00 ATOM 623 O VAL 77 39.131 7.941 4.452 1.00 0.00 ATOM 624 C VAL 77 39.533 6.918 4.993 1.00 0.00 ATOM 625 N GLN 78 39.394 6.667 6.303 1.00 0.00 ATOM 626 CA GLN 78 38.968 7.689 7.250 1.00 0.00 ATOM 627 CB GLN 78 37.863 7.147 8.189 1.00 0.00 ATOM 628 CG GLN 78 36.544 7.058 7.419 1.00 0.00 ATOM 629 CD GLN 78 35.415 6.381 8.134 1.00 0.00 ATOM 630 OE1 GLN 78 34.524 5.889 7.473 1.00 0.00 ATOM 631 NE2 GLN 78 35.440 6.332 9.470 1.00 0.00 ATOM 632 O GLN 78 41.064 7.388 8.355 1.00 0.00 ATOM 633 C GLN 78 40.178 8.160 8.045 1.00 0.00 ATOM 634 N THR 79 40.227 9.441 8.347 1.00 0.00 ATOM 635 CA THR 79 41.436 10.021 8.923 1.00 0.00 ATOM 636 CB THR 79 42.229 10.810 7.907 1.00 0.00 ATOM 637 CG2 THR 79 43.495 11.354 8.540 1.00 0.00 ATOM 638 OG1 THR 79 42.548 9.997 6.747 1.00 0.00 ATOM 639 O THR 79 40.118 11.722 9.972 1.00 0.00 ATOM 640 C THR 79 41.040 10.917 10.092 1.00 0.00 ATOM 641 N GLN 80 41.699 10.723 11.223 1.00 0.00 ATOM 642 CA GLN 80 41.585 11.631 12.383 1.00 0.00 ATOM 643 CB GLN 80 41.039 10.911 13.584 1.00 0.00 ATOM 644 CG GLN 80 39.720 10.253 13.367 1.00 0.00 ATOM 645 CD GLN 80 39.085 9.788 14.683 1.00 0.00 ATOM 646 OE1 GLN 80 39.007 10.545 15.636 1.00 0.00 ATOM 647 NE2 GLN 80 38.611 8.544 14.709 1.00 0.00 ATOM 648 O GLN 80 43.997 11.524 12.686 1.00 0.00 ATOM 649 C GLN 80 42.946 12.205 12.765 1.00 0.00 ATOM 650 N ILE 81 42.918 13.461 13.190 1.00 0.00 ATOM 651 CA ILE 81 44.084 14.139 13.696 1.00 0.00 ATOM 652 CB ILE 81 44.087 15.641 13.271 1.00 0.00 ATOM 653 CG1 ILE 81 44.250 15.726 11.745 1.00 0.00 ATOM 654 CG2 ILE 81 45.209 16.417 13.971 1.00 0.00 ATOM 655 CD1 ILE 81 43.941 17.075 11.178 1.00 0.00 ATOM 656 O ILE 81 43.106 14.372 15.864 1.00 0.00 ATOM 657 C ILE 81 44.039 13.940 15.207 1.00 0.00 ATOM 658 N LEU 82 45.044 13.254 15.737 1.00 0.00 ATOM 659 CA LEU 82 45.099 12.938 17.149 1.00 0.00 ATOM 660 CB LEU 82 45.851 11.637 17.366 1.00 0.00 ATOM 661 CG LEU 82 45.327 10.471 16.551 1.00 0.00 ATOM 662 CD1 LEU 82 46.251 9.277 16.712 1.00 0.00 ATOM 663 CD2 LEU 82 43.887 10.191 16.953 1.00 0.00 ATOM 664 O LEU 82 45.564 14.155 19.130 1.00 0.00 ATOM 665 C LEU 82 45.780 14.035 17.935 1.00 0.00 ATOM 666 N GLY 83 46.586 14.853 17.266 1.00 0.00 ATOM 667 CA GLY 83 47.422 15.836 17.980 1.00 0.00 ATOM 668 O GLY 83 48.661 15.884 15.957 1.00 0.00 ATOM 669 C GLY 83 48.431 16.433 17.023 1.00 0.00 ATOM 670 N PHE 84 48.990 17.590 17.368 1.00 0.00 ATOM 671 CA PHE 84 50.085 18.154 16.602 1.00 0.00 ATOM 672 CB PHE 84 49.599 18.777 15.284 1.00 0.00 ATOM 673 CG PHE 84 48.720 19.979 15.450 1.00 0.00 ATOM 674 CD1 PHE 84 49.264 21.246 15.555 1.00 0.00 ATOM 675 CD2 PHE 84 47.342 19.846 15.474 1.00 0.00 ATOM 676 CE1 PHE 84 48.437 22.355 15.672 1.00 0.00 ATOM 677 CE2 PHE 84 46.513 20.943 15.621 1.00 0.00 ATOM 678 CZ PHE 84 47.052 22.197 15.699 1.00 0.00 ATOM 679 O PHE 84 50.282 19.650 18.440 1.00 0.00 ATOM 680 C PHE 84 50.831 19.151 17.451 1.00 0.00 ATOM 681 N ASP 85 52.094 19.408 17.102 1.00 0.00 ATOM 682 CA ASP 85 52.848 20.431 17.812 1.00 0.00 ATOM 683 CB ASP 85 53.900 19.809 18.739 1.00 0.00 ATOM 684 CG ASP 85 54.934 18.958 18.012 1.00 0.00 ATOM 685 OD1 ASP 85 55.164 19.131 16.783 1.00 0.00 ATOM 686 OD2 ASP 85 55.543 18.121 18.705 1.00 0.00 ATOM 687 O ASP 85 52.789 21.581 15.763 1.00 0.00 ATOM 688 C ASP 85 53.390 21.412 16.804 1.00 0.00 ATOM 689 N ARG 86 54.503 22.069 17.092 1.00 0.00 ATOM 690 CA ARG 86 55.044 23.065 16.170 1.00 0.00 ATOM 691 CB ARG 86 56.225 23.807 16.809 1.00 0.00 ATOM 692 CG ARG 86 55.821 24.648 18.012 1.00 0.00 ATOM 693 CD ARG 86 56.964 25.531 18.543 1.00 0.00 ATOM 694 O ARG 86 55.401 23.158 13.835 1.00 0.00 ATOM 695 C ARG 86 55.451 22.472 14.821 1.00 0.00 ATOM 696 N LYS 87 55.858 21.204 14.777 1.00 0.00 ATOM 697 CA LYS 87 56.321 20.614 13.525 1.00 0.00 ATOM 698 CB LYS 87 57.827 20.788 13.394 1.00 0.00 ATOM 699 CG LYS 87 58.631 20.052 14.411 1.00 0.00 ATOM 700 CD LYS 87 60.065 20.627 14.499 1.00 0.00 ATOM 701 CE LYS 87 61.028 19.605 15.098 1.00 0.00 ATOM 702 NZ LYS 87 62.483 19.981 15.117 1.00 0.00 ATOM 703 O LYS 87 56.361 18.582 12.239 1.00 0.00 ATOM 704 C LYS 87 55.955 19.146 13.274 1.00 0.00 ATOM 705 N ARG 88 55.176 18.550 14.167 1.00 0.00 ATOM 706 CA ARG 88 54.781 17.142 14.032 1.00 0.00 ATOM 707 CB ARG 88 55.342 16.289 15.187 1.00 0.00 ATOM 708 CG ARG 88 56.826 15.914 15.030 1.00 0.00 ATOM 709 CD ARG 88 57.456 15.532 16.364 1.00 0.00 ATOM 710 NE ARG 88 57.552 16.732 17.159 1.00 0.00 ATOM 711 CZ ARG 88 58.626 17.508 17.245 1.00 0.00 ATOM 712 NH1 ARG 88 59.770 17.179 16.650 1.00 0.00 ATOM 713 NH2 ARG 88 58.549 18.616 17.962 1.00 0.00 ATOM 714 O ARG 88 52.580 17.769 14.582 1.00 0.00 ATOM 715 C ARG 88 53.275 17.004 13.979 1.00 0.00 ATOM 716 N LEU 89 52.797 16.047 13.182 1.00 0.00 ATOM 717 CA LEU 89 51.387 15.731 13.117 1.00 0.00 ATOM 718 CB LEU 89 50.896 15.963 11.690 1.00 0.00 ATOM 719 CG LEU 89 49.408 15.836 11.402 1.00 0.00 ATOM 720 CD1 LEU 89 48.560 16.765 12.268 1.00 0.00 ATOM 721 CD2 LEU 89 49.162 16.089 9.900 1.00 0.00 ATOM 722 O LEU 89 51.899 13.397 13.133 1.00 0.00 ATOM 723 C LEU 89 51.179 14.278 13.565 1.00 0.00 ATOM 724 N HIS 90 50.215 14.059 14.460 1.00 0.00 ATOM 725 CA HIS 90 49.892 12.716 14.960 1.00 0.00 ATOM 726 CB HIS 90 49.884 12.757 16.483 1.00 0.00 ATOM 727 CG HIS 90 49.748 11.423 17.144 1.00 0.00 ATOM 728 CD2 HIS 90 49.873 10.160 16.667 1.00 0.00 ATOM 729 ND1 HIS 90 49.450 11.299 18.482 1.00 0.00 ATOM 730 CE1 HIS 90 49.408 10.016 18.804 1.00 0.00 ATOM 731 NE2 HIS 90 49.663 9.305 17.721 1.00 0.00 ATOM 732 O HIS 90 47.540 13.013 14.572 1.00 0.00 ATOM 733 C HIS 90 48.539 12.341 14.337 1.00 0.00 ATOM 734 N VAL 91 48.526 11.312 13.497 1.00 0.00 ATOM 735 CA VAL 91 47.343 10.957 12.717 1.00 0.00 ATOM 736 CB VAL 91 47.527 11.316 11.218 1.00 0.00 ATOM 737 CG1 VAL 91 47.817 12.803 11.087 1.00 0.00 ATOM 738 CG2 VAL 91 48.640 10.507 10.605 1.00 0.00 ATOM 739 O VAL 91 47.777 8.643 13.174 1.00 0.00 ATOM 740 C VAL 91 46.962 9.480 12.811 1.00 0.00 ATOM 741 N TYR 92 45.704 9.193 12.491 1.00 0.00 ATOM 742 CA TYR 92 45.171 7.845 12.579 1.00 0.00 ATOM 743 CB TYR 92 44.282 7.709 13.836 1.00 0.00 ATOM 744 CG TYR 92 43.663 6.331 14.064 1.00 0.00 ATOM 745 CD1 TYR 92 44.376 5.340 14.680 1.00 0.00 ATOM 746 CD2 TYR 92 42.358 6.056 13.703 1.00 0.00 ATOM 747 CE1 TYR 92 43.839 4.095 14.921 1.00 0.00 ATOM 748 CE2 TYR 92 41.794 4.811 13.928 1.00 0.00 ATOM 749 CZ TYR 92 42.557 3.826 14.543 1.00 0.00 ATOM 750 OH TYR 92 42.048 2.588 14.852 1.00 0.00 ATOM 751 O TYR 92 43.429 8.428 11.107 1.00 0.00 ATOM 752 C TYR 92 44.335 7.637 11.349 1.00 0.00 ATOM 753 N HIS 93 44.705 6.650 10.527 1.00 0.00 ATOM 754 CA HIS 93 43.951 6.272 9.351 1.00 0.00 ATOM 755 CB HIS 93 44.873 6.091 8.133 1.00 0.00 ATOM 756 CG HIS 93 45.559 7.331 7.662 1.00 0.00 ATOM 757 CD2 HIS 93 46.876 7.598 7.501 1.00 0.00 ATOM 758 ND1 HIS 93 44.880 8.456 7.232 1.00 0.00 ATOM 759 CE1 HIS 93 45.756 9.363 6.844 1.00 0.00 ATOM 760 NE2 HIS 93 46.970 8.851 6.955 1.00 0.00 ATOM 761 O HIS 93 43.849 4.061 10.273 1.00 0.00 ATOM 762 C HIS 93 43.280 4.932 9.600 1.00 0.00 ATOM 763 N SER 94 42.071 4.765 9.079 1.00 0.00 ATOM 764 CA SER 94 41.391 3.488 9.093 1.00 0.00 ATOM 765 CB SER 94 40.290 3.435 10.165 1.00 0.00 ATOM 766 OG SER 94 39.324 4.484 9.978 1.00 0.00 ATOM 767 O SER 94 40.596 4.107 6.880 1.00 0.00 ATOM 768 C SER 94 40.870 3.192 7.673 1.00 0.00 ATOM 769 N LEU 95 40.824 1.914 7.332 1.00 0.00 ATOM 770 CA LEU 95 40.434 1.479 5.996 1.00 0.00 ATOM 771 CB LEU 95 41.452 0.519 5.382 1.00 0.00 ATOM 772 CG LEU 95 41.303 0.193 3.878 1.00 0.00 ATOM 773 CD1 LEU 95 41.611 1.368 2.968 1.00 0.00 ATOM 774 CD2 LEU 95 42.152 -1.015 3.516 1.00 0.00 ATOM 775 O LEU 95 38.837 0.023 6.973 1.00 0.00 ATOM 776 C LEU 95 39.089 0.809 6.072 1.00 0.00 ATOM 777 N HIS 96 38.238 1.095 5.082 1.00 0.00 ATOM 778 CA HIS 96 36.826 0.697 5.117 1.00 0.00 ATOM 779 CB HIS 96 35.948 1.894 5.555 1.00 0.00 ATOM 780 CG HIS 96 36.365 2.507 6.860 1.00 0.00 ATOM 781 CD2 HIS 96 37.400 3.321 7.164 1.00 0.00 ATOM 782 ND1 HIS 96 35.678 2.304 8.035 1.00 0.00 ATOM 783 CE1 HIS 96 36.297 2.935 9.018 1.00 0.00 ATOM 784 NE2 HIS 96 37.354 3.556 8.516 1.00 0.00 ATOM 785 O HIS 96 36.920 0.635 2.703 1.00 0.00 ATOM 786 C HIS 96 36.341 0.252 3.744 1.00 0.00 ATOM 787 N ARG 97 35.249 -0.521 3.761 1.00 0.00 ATOM 788 CA ARG 97 34.488 -0.874 2.556 1.00 0.00 ATOM 789 CB ARG 97 34.899 -2.231 2.004 1.00 0.00 ATOM 790 CG ARG 97 34.538 -3.428 2.865 1.00 0.00 ATOM 791 CD ARG 97 35.029 -4.703 2.178 1.00 0.00 ATOM 792 NE ARG 97 34.715 -5.937 2.903 1.00 0.00 ATOM 793 CZ ARG 97 33.536 -6.550 2.924 1.00 0.00 ATOM 794 NH1 ARG 97 32.481 -6.059 2.286 1.00 0.00 ATOM 795 NH2 ARG 97 33.401 -7.673 3.610 1.00 0.00 ATOM 796 O ARG 97 32.613 -1.025 4.026 1.00 0.00 ATOM 797 C ARG 97 33.002 -0.889 2.868 1.00 0.00 ATOM 798 N ALA 98 32.177 -0.739 1.830 1.00 0.00 ATOM 799 CA ALA 98 30.710 -0.732 2.009 1.00 0.00 ATOM 800 CB ALA 98 30.012 -0.336 0.697 1.00 0.00 ATOM 801 O ALA 98 30.717 -3.139 2.048 1.00 0.00 ATOM 802 C ALA 98 30.207 -2.087 2.472 1.00 0.00 ATOM 803 N GLY 99 29.225 -2.060 3.361 1.00 0.00 ATOM 804 CA GLY 99 28.523 -3.278 3.763 1.00 0.00 ATOM 805 O GLY 99 28.828 -5.265 5.040 1.00 0.00 ATOM 806 C GLY 99 29.235 -4.125 4.789 1.00 0.00 ATOM 807 N PHE 100 30.303 -3.579 5.377 1.00 0.00 ATOM 808 CA PHE 100 31.070 -4.283 6.400 1.00 0.00 ATOM 809 CB PHE 100 32.329 -4.889 5.767 1.00 0.00 ATOM 810 CG PHE 100 33.120 -5.754 6.701 1.00 0.00 ATOM 811 CD1 PHE 100 32.650 -7.017 7.057 1.00 0.00 ATOM 812 CD2 PHE 100 34.327 -5.305 7.236 1.00 0.00 ATOM 813 CE1 PHE 100 33.377 -7.819 7.910 1.00 0.00 ATOM 814 CE2 PHE 100 35.062 -6.103 8.099 1.00 0.00 ATOM 815 CZ PHE 100 34.587 -7.359 8.438 1.00 0.00 ATOM 816 O PHE 100 32.211 -2.349 7.119 1.00 0.00 ATOM 817 C PHE 100 31.448 -3.240 7.421 1.00 0.00 ATOM 818 N ASP 101 30.892 -3.324 8.619 1.00 0.00 ATOM 819 CA ASP 101 30.977 -2.218 9.555 1.00 0.00 ATOM 820 CB ASP 101 29.583 -1.843 10.115 1.00 0.00 ATOM 821 CG ASP 101 28.909 -2.975 10.860 1.00 0.00 ATOM 822 OD1 ASP 101 29.124 -4.159 10.484 1.00 0.00 ATOM 823 OD2 ASP 101 28.149 -2.679 11.818 1.00 0.00 ATOM 824 O ASP 101 31.634 -2.267 11.848 1.00 0.00 ATOM 825 C ASP 101 31.974 -2.446 10.676 1.00 0.00 ATOM 826 N GLU 102 33.175 -2.900 10.319 1.00 0.00 ATOM 827 CA GLU 102 34.363 -2.787 11.180 1.00 0.00 ATOM 828 CB GLU 102 34.607 -4.054 11.994 1.00 0.00 ATOM 829 CG GLU 102 34.867 -5.343 11.219 1.00 0.00 ATOM 830 CD GLU 102 34.980 -6.592 12.135 1.00 0.00 ATOM 831 OE1 GLU 102 33.904 -7.109 12.558 1.00 0.00 ATOM 832 OE2 GLU 102 36.138 -7.067 12.397 1.00 0.00 ATOM 833 O GLU 102 35.537 -2.625 9.075 1.00 0.00 ATOM 834 C GLU 102 35.571 -2.447 10.306 1.00 0.00 ATOM 835 N VAL 103 36.633 -1.925 10.901 1.00 0.00 ATOM 836 CA VAL 103 37.754 -1.543 10.069 1.00 0.00 ATOM 837 CB VAL 103 38.762 -0.606 10.763 1.00 0.00 ATOM 838 CG1 VAL 103 38.058 0.680 11.199 1.00 0.00 ATOM 839 CG2 VAL 103 39.460 -1.304 11.929 1.00 0.00 ATOM 840 O VAL 103 38.561 -3.818 10.127 1.00 0.00 ATOM 841 C VAL 103 38.459 -2.776 9.491 1.00 0.00 ATOM 842 N LEU 104 38.943 -2.612 8.266 1.00 0.00 ATOM 843 CA LEU 104 39.766 -3.589 7.595 1.00 0.00 ATOM 844 CB LEU 104 39.730 -3.322 6.085 1.00 0.00 ATOM 845 CG LEU 104 38.336 -3.270 5.444 1.00 0.00 ATOM 846 CD1 LEU 104 38.431 -2.962 3.976 1.00 0.00 ATOM 847 CD2 LEU 104 37.656 -4.605 5.666 1.00 0.00 ATOM 848 O LEU 104 41.915 -4.559 8.047 1.00 0.00 ATOM 849 C LEU 104 41.204 -3.537 8.062 1.00 0.00 ATOM 850 N ALA 105 41.656 -2.315 8.335 1.00 0.00 ATOM 851 CA ALA 105 42.993 -2.028 8.845 1.00 0.00 ATOM 852 CB ALA 105 44.009 -2.077 7.723 1.00 0.00 ATOM 853 O ALA 105 42.096 0.165 9.112 1.00 0.00 ATOM 854 C ALA 105 42.977 -0.629 9.431 1.00 0.00 ATOM 855 N ALA 106 43.948 -0.345 10.284 1.00 0.00 ATOM 856 CA ALA 106 44.109 0.977 10.928 1.00 0.00 ATOM 857 CB ALA 106 43.343 0.999 12.252 1.00 0.00 ATOM 858 O ALA 106 46.404 0.311 11.317 1.00 0.00 ATOM 859 C ALA 106 45.603 1.257 11.136 1.00 0.00 ATOM 860 N SER 107 46.001 2.529 11.115 1.00 0.00 ATOM 861 CA SER 107 47.392 2.888 11.318 1.00 0.00 ATOM 862 CB SER 107 48.094 3.077 9.956 1.00 0.00 ATOM 863 OG SER 107 49.465 3.331 10.165 1.00 0.00 ATOM 864 O SER 107 46.889 5.168 11.655 1.00 0.00 ATOM 865 C SER 107 47.503 4.180 12.060 1.00 0.00 ATOM 866 N GLU 108 48.324 4.177 13.116 1.00 0.00 ATOM 867 CA GLU 108 48.680 5.356 13.873 1.00 0.00 ATOM 868 CB GLU 108 48.807 4.973 15.364 1.00 0.00 ATOM 869 CG GLU 108 48.988 6.171 16.283 1.00 0.00 ATOM 870 CD GLU 108 49.332 5.786 17.708 1.00 0.00 ATOM 871 OE1 GLU 108 49.449 4.565 17.994 1.00 0.00 ATOM 872 OE2 GLU 108 49.469 6.710 18.548 1.00 0.00 ATOM 873 O GLU 108 50.921 4.979 13.235 1.00 0.00 ATOM 874 C GLU 108 50.030 5.804 13.363 1.00 0.00 ATOM 875 N GLN 109 50.198 7.095 13.071 1.00 0.00 ATOM 876 CA GLN 109 51.432 7.574 12.500 1.00 0.00 ATOM 877 CB GLN 109 51.286 7.782 10.990 1.00 0.00 ATOM 878 CG GLN 109 50.497 6.683 10.328 1.00 0.00 ATOM 879 CD GLN 109 50.693 6.666 8.858 1.00 0.00 ATOM 880 OE1 GLN 109 51.027 7.681 8.256 1.00 0.00 ATOM 881 NE2 GLN 109 50.477 5.517 8.260 1.00 0.00 ATOM 882 O GLN 109 50.977 9.691 13.460 1.00 0.00 ATOM 883 C GLN 109 51.831 8.888 13.072 1.00 0.00 ATOM 884 N MET 110 53.135 9.106 13.086 1.00 0.00 ATOM 885 CA MET 110 53.708 10.396 13.437 1.00 0.00 ATOM 886 CB MET 110 54.605 10.256 14.675 1.00 0.00 ATOM 887 CG MET 110 55.218 11.571 15.126 1.00 0.00 ATOM 888 SD MET 110 53.898 12.700 15.947 1.00 0.00 ATOM 889 CE MET 110 53.575 11.672 17.562 1.00 0.00 ATOM 890 O MET 110 55.372 10.219 11.723 1.00 0.00 ATOM 891 C MET 110 54.516 10.916 12.249 1.00 0.00 ATOM 892 N LEU 111 54.244 12.148 11.848 1.00 0.00 ATOM 893 CA LEU 111 54.848 12.745 10.654 1.00 0.00 ATOM 894 CB LEU 111 53.755 13.010 9.623 1.00 0.00 ATOM 895 CG LEU 111 52.785 11.868 9.279 1.00 0.00 ATOM 896 CD1 LEU 111 51.403 12.359 9.217 1.00 0.00 ATOM 897 CD2 LEU 111 53.183 11.264 7.920 1.00 0.00 ATOM 898 O LEU 111 55.043 14.739 11.941 1.00 0.00 ATOM 899 C LEU 111 55.524 14.057 11.048 1.00 0.00 ATOM 900 N LEU 112 56.663 14.340 10.419 1.00 0.00 ATOM 901 CA LEU 112 57.489 15.520 10.662 1.00 0.00 ATOM 902 CB LEU 112 58.961 15.106 10.853 1.00 0.00 ATOM 903 CG LEU 112 59.988 16.234 11.048 1.00 0.00 ATOM 904 CD1 LEU 112 59.696 17.000 12.310 1.00 0.00 ATOM 905 CD2 LEU 112 61.403 15.702 11.086 1.00 0.00 ATOM 906 O LEU 112 57.600 16.001 8.314 1.00 0.00 ATOM 907 C LEU 112 57.409 16.448 9.467 1.00 0.00 ATOM 908 N HIS 113 57.139 17.730 9.731 1.00 0.00 ATOM 909 CA HIS 113 57.164 18.736 8.680 1.00 0.00 ATOM 910 CB HIS 113 56.268 19.934 9.025 1.00 0.00 ATOM 911 CG HIS 113 56.149 20.965 7.933 1.00 0.00 ATOM 912 CD2 HIS 113 55.913 20.850 6.600 1.00 0.00 ATOM 913 ND1 HIS 113 56.231 22.315 8.187 1.00 0.00 ATOM 914 CE1 HIS 113 56.080 22.988 7.052 1.00 0.00 ATOM 915 NE2 HIS 113 55.883 22.125 6.075 1.00 0.00 ATOM 916 O HIS 113 59.273 19.566 9.437 1.00 0.00 ATOM 917 C HIS 113 58.607 19.155 8.495 1.00 0.00 ATOM 918 N VAL 114 59.084 19.056 7.271 1.00 0.00 ATOM 919 CA VAL 114 60.504 19.264 6.984 1.00 0.00 ATOM 920 CB VAL 114 61.189 18.001 6.374 1.00 0.00 ATOM 921 CG1 VAL 114 61.015 16.820 7.277 1.00 0.00 ATOM 922 CG2 VAL 114 60.653 17.677 5.005 1.00 0.00 ATOM 923 O VAL 114 59.910 20.687 5.173 1.00 0.00 ATOM 924 C VAL 114 60.695 20.457 6.064 1.00 0.00 ATOM 925 N ASP 115 61.754 21.207 6.302 1.00 0.00 ATOM 926 CA ASP 115 62.156 22.315 5.444 1.00 0.00 ATOM 927 CB ASP 115 63.137 23.211 6.209 1.00 0.00 ATOM 928 CG ASP 115 63.498 24.482 5.448 1.00 0.00 ATOM 929 OD1 ASP 115 62.576 25.185 4.986 1.00 0.00 ATOM 930 OD2 ASP 115 64.707 24.786 5.330 1.00 0.00 ATOM 931 O ASP 115 63.870 21.135 4.289 1.00 0.00 ATOM 932 C ASP 115 62.840 21.784 4.192 1.00 0.00 ATOM 933 N LEU 116 62.271 22.072 3.024 1.00 0.00 ATOM 934 CA LEU 116 62.912 21.779 1.735 1.00 0.00 ATOM 935 CB LEU 116 64.169 22.637 1.533 1.00 0.00 ATOM 936 CG LEU 116 63.916 24.144 1.612 1.00 0.00 ATOM 937 CD1 LEU 116 65.240 24.904 1.516 1.00 0.00 ATOM 938 CD2 LEU 116 62.892 24.598 0.544 1.00 0.00 ATOM 939 O LEU 116 62.381 19.500 1.448 1.00 0.00 ATOM 940 C LEU 116 63.274 20.317 1.595 1.00 0.00 ATOM 941 N GLN 120 65.788 17.988 8.319 1.00 0.00 ATOM 942 CA GLN 120 65.734 19.395 8.777 1.00 0.00 ATOM 943 CB GLN 120 66.585 20.317 7.876 1.00 0.00 ATOM 944 CG GLN 120 66.399 21.817 8.162 1.00 0.00 ATOM 945 O GLN 120 63.673 20.033 7.741 1.00 0.00 ATOM 946 C GLN 120 64.286 19.897 8.793 1.00 0.00 ATOM 947 N SER 121 63.755 20.194 9.978 1.00 0.00 ATOM 948 CA SER 121 62.327 20.488 10.134 1.00 0.00 ATOM 949 CB SER 121 61.817 19.829 11.411 1.00 0.00 ATOM 950 OG SER 121 62.558 20.271 12.538 1.00 0.00 ATOM 951 O SER 121 62.821 22.857 10.223 1.00 0.00 ATOM 952 C SER 121 61.958 21.990 10.104 1.00 0.00 ATOM 953 N ALA 122 60.654 22.252 9.944 1.00 0.00 ATOM 954 CA ALA 122 60.092 23.601 9.765 1.00 0.00 ATOM 955 CB ALA 122 59.818 23.857 8.268 1.00 0.00 ATOM 956 O ALA 122 57.936 22.815 10.507 1.00 0.00 ATOM 957 C ALA 122 58.771 23.744 10.547 1.00 0.00 ATOM 958 N PRO 123 58.553 24.908 11.216 1.00 0.00 ATOM 959 CA PRO 123 57.288 25.115 11.937 1.00 0.00 ATOM 960 CB PRO 123 57.521 26.413 12.709 1.00 0.00 ATOM 961 CG PRO 123 58.602 27.115 11.959 1.00 0.00 ATOM 962 CD PRO 123 59.462 26.069 11.349 1.00 0.00 ATOM 963 O PRO 123 56.157 25.647 9.858 1.00 0.00 ATOM 964 C PRO 123 56.041 25.239 11.028 1.00 0.00 ATOM 965 N PHE 124 54.874 24.864 11.568 1.00 0.00 ATOM 966 CA PHE 124 53.578 25.108 10.916 1.00 0.00 ATOM 967 CB PHE 124 52.468 24.236 11.515 1.00 0.00 ATOM 968 CG PHE 124 52.658 22.770 11.278 1.00 0.00 ATOM 969 CD1 PHE 124 52.885 22.283 10.003 1.00 0.00 ATOM 970 CD2 PHE 124 52.612 21.879 12.327 1.00 0.00 ATOM 971 CE1 PHE 124 53.071 20.933 9.771 1.00 0.00 ATOM 972 CE2 PHE 124 52.789 20.528 12.115 1.00 0.00 ATOM 973 CZ PHE 124 53.021 20.056 10.816 1.00 0.00 ATOM 974 O PHE 124 53.218 27.082 12.205 1.00 0.00 ATOM 975 C PHE 124 53.174 26.557 11.095 1.00 0.00 ATOM 976 N GLY 125 52.760 27.202 10.015 1.00 0.00 ATOM 977 CA GLY 125 52.330 28.586 10.113 1.00 0.00 ATOM 978 O GLY 125 50.142 27.754 10.695 1.00 0.00 ATOM 979 C GLY 125 50.918 28.722 10.681 1.00 0.00 ATOM 980 N HIS 126 50.578 29.942 11.094 1.00 0.00 ATOM 981 CA HIS 126 49.283 30.262 11.685 1.00 0.00 ATOM 982 CB HIS 126 49.121 31.780 11.858 1.00 0.00 ATOM 983 CG HIS 126 47.794 32.182 12.438 1.00 0.00 ATOM 984 CD2 HIS 126 47.363 32.250 13.723 1.00 0.00 ATOM 985 ND1 HIS 126 46.714 32.548 11.656 1.00 0.00 ATOM 986 CE1 HIS 126 45.683 32.835 12.434 1.00 0.00 ATOM 987 NE2 HIS 126 46.051 32.663 13.692 1.00 0.00 ATOM 988 O HIS 126 47.162 29.186 11.531 1.00 0.00 ATOM 989 C HIS 126 48.075 29.705 10.924 1.00 0.00 ATOM 990 N THR 127 48.089 29.813 9.605 1.00 0.00 ATOM 991 CA THR 127 47.003 29.337 8.760 1.00 0.00 ATOM 992 CB THR 127 47.258 29.770 7.296 1.00 0.00 ATOM 993 CG2 THR 127 46.138 29.357 6.403 1.00 0.00 ATOM 994 OG1 THR 127 47.367 31.197 7.233 1.00 0.00 ATOM 995 O THR 127 45.714 27.315 8.837 1.00 0.00 ATOM 996 C THR 127 46.831 27.819 8.799 1.00 0.00 ATOM 997 N THR 128 47.948 27.091 8.757 1.00 0.00 ATOM 998 CA THR 128 47.949 25.644 8.886 1.00 0.00 ATOM 999 CB THR 128 49.404 25.043 8.767 1.00 0.00 ATOM 1000 CG2 THR 128 49.396 23.553 8.930 1.00 0.00 ATOM 1001 OG1 THR 128 49.945 25.337 7.481 1.00 0.00 ATOM 1002 O THR 128 46.521 24.307 10.266 1.00 0.00 ATOM 1003 C THR 128 47.341 25.225 10.222 1.00 0.00 ATOM 1004 N VAL 129 47.782 25.856 11.308 1.00 0.00 ATOM 1005 CA VAL 129 47.255 25.544 12.627 1.00 0.00 ATOM 1006 CB VAL 129 47.911 26.379 13.726 1.00 0.00 ATOM 1007 CG1 VAL 129 47.212 26.167 15.045 1.00 0.00 ATOM 1008 CG2 VAL 129 49.389 26.021 13.867 1.00 0.00 ATOM 1009 O VAL 129 45.010 24.968 13.297 1.00 0.00 ATOM 1010 C VAL 129 45.746 25.760 12.687 1.00 0.00 ATOM 1011 N CYS 130 45.293 26.862 12.104 1.00 0.00 ATOM 1012 CA CYS 130 43.861 27.150 12.084 1.00 0.00 ATOM 1013 CB CYS 130 43.572 28.550 11.528 1.00 0.00 ATOM 1014 SG CYS 130 44.067 29.871 12.664 1.00 0.00 ATOM 1015 O CYS 130 42.042 25.643 11.773 1.00 0.00 ATOM 1016 C CYS 130 43.088 26.086 11.317 1.00 0.00 ATOM 1017 N ARG 131 43.605 25.632 10.176 1.00 0.00 ATOM 1018 CA ARG 131 42.913 24.565 9.427 1.00 0.00 ATOM 1019 CB ARG 131 43.488 24.440 8.020 1.00 0.00 ATOM 1020 CG ARG 131 43.341 25.733 7.248 1.00 0.00 ATOM 1021 CD ARG 131 44.041 25.721 5.878 1.00 0.00 ATOM 1022 NE ARG 131 43.862 27.028 5.255 1.00 0.00 ATOM 1023 CZ ARG 131 44.546 27.494 4.220 1.00 0.00 ATOM 1024 NH1 ARG 131 45.508 26.787 3.665 1.00 0.00 ATOM 1025 NH2 ARG 131 44.289 28.706 3.768 1.00 0.00 ATOM 1026 O ARG 131 41.961 22.485 10.211 1.00 0.00 ATOM 1027 C ARG 131 42.950 23.214 10.180 1.00 0.00 ATOM 1028 N LEU 132 44.073 22.904 10.819 1.00 0.00 ATOM 1029 CA LEU 132 44.167 21.711 11.647 1.00 0.00 ATOM 1030 CB LEU 132 45.609 21.540 12.182 1.00 0.00 ATOM 1031 CG LEU 132 46.655 21.122 11.142 1.00 0.00 ATOM 1032 CD1 LEU 132 48.069 21.180 11.693 1.00 0.00 ATOM 1033 CD2 LEU 132 46.367 19.748 10.591 1.00 0.00 ATOM 1034 O LEU 132 42.505 20.771 13.123 1.00 0.00 ATOM 1035 C LEU 132 43.178 21.755 12.824 1.00 0.00 ATOM 1036 N ASN 133 43.089 22.895 13.490 1.00 0.00 ATOM 1037 CA ASN 133 42.122 23.039 14.592 1.00 0.00 ATOM 1038 CB ASN 133 42.292 24.373 15.288 1.00 0.00 ATOM 1039 CG ASN 133 43.569 24.459 16.119 1.00 0.00 ATOM 1040 ND2 ASN 133 44.074 25.661 16.280 1.00 0.00 ATOM 1041 OD1 ASN 133 44.057 23.473 16.636 1.00 0.00 ATOM 1042 O ASN 133 39.838 22.298 14.786 1.00 0.00 ATOM 1043 C ASN 133 40.677 22.890 14.100 1.00 0.00 ATOM 1044 N HIS 134 40.388 23.431 12.917 1.00 0.00 ATOM 1045 CA HIS 134 39.044 23.308 12.299 1.00 0.00 ATOM 1046 CB HIS 134 39.038 24.058 10.973 1.00 0.00 ATOM 1047 CG HIS 134 37.721 24.032 10.260 1.00 0.00 ATOM 1048 CD2 HIS 134 37.332 23.420 9.116 1.00 0.00 ATOM 1049 ND1 HIS 134 36.616 24.709 10.726 1.00 0.00 ATOM 1050 CE1 HIS 134 35.598 24.504 9.910 1.00 0.00 ATOM 1051 NE2 HIS 134 36.005 23.734 8.921 1.00 0.00 ATOM 1052 O HIS 134 37.570 21.375 12.496 1.00 0.00 ATOM 1053 C HIS 134 38.657 21.830 12.099 1.00 0.00 ATOM 1054 N LEU 135 39.565 21.070 11.501 1.00 0.00 ATOM 1055 CA LEU 135 39.351 19.623 11.287 1.00 0.00 ATOM 1056 CB LEU 135 40.518 19.019 10.509 1.00 0.00 ATOM 1057 CG LEU 135 40.509 19.263 9.004 1.00 0.00 ATOM 1058 CD1 LEU 135 41.740 18.629 8.413 1.00 0.00 ATOM 1059 CD2 LEU 135 39.251 18.673 8.385 1.00 0.00 ATOM 1060 O LEU 135 38.297 17.995 12.700 1.00 0.00 ATOM 1061 C LEU 135 39.168 18.853 12.577 1.00 0.00 ATOM 1062 N VAL 136 40.022 19.138 13.535 1.00 0.00 ATOM 1063 CA VAL 136 39.918 18.544 14.872 1.00 0.00 ATOM 1064 CB VAL 136 41.086 19.028 15.753 1.00 0.00 ATOM 1065 CG1 VAL 136 40.896 18.667 17.238 1.00 0.00 ATOM 1066 CG2 VAL 136 42.418 18.436 15.202 1.00 0.00 ATOM 1067 O VAL 136 37.933 17.885 16.066 1.00 0.00 ATOM 1068 C VAL 136 38.554 18.809 15.524 1.00 0.00 ATOM 1069 N GLU 137 38.090 20.063 15.458 1.00 0.00 ATOM 1070 CA GLU 137 36.783 20.449 16.021 1.00 0.00 ATOM 1071 CB GLU 137 36.505 21.940 15.777 1.00 0.00 ATOM 1072 CG GLU 137 37.363 22.908 16.629 1.00 0.00 ATOM 1073 CD GLU 137 37.327 24.386 16.150 1.00 0.00 ATOM 1074 OE1 GLU 137 36.242 24.871 15.720 1.00 0.00 ATOM 1075 OE2 GLU 137 38.386 25.064 16.223 1.00 0.00 ATOM 1076 O GLU 137 34.658 19.310 16.107 1.00 0.00 ATOM 1077 C GLU 137 35.642 19.628 15.425 1.00 0.00 ATOM 1078 N GLN 138 35.772 19.296 14.146 1.00 0.00 ATOM 1079 CA GLN 138 34.799 18.461 13.452 1.00 0.00 ATOM 1080 CB GLN 138 34.974 18.615 11.935 1.00 0.00 ATOM 1081 CG GLN 138 34.665 19.994 11.401 1.00 0.00 ATOM 1082 CD GLN 138 34.912 20.087 9.902 1.00 0.00 ATOM 1083 OE1 GLN 138 35.840 19.490 9.382 1.00 0.00 ATOM 1084 NE2 GLN 138 34.083 20.857 9.215 1.00 0.00 ATOM 1085 O GLN 138 34.053 16.190 13.282 1.00 0.00 ATOM 1086 C GLN 138 34.855 16.962 13.822 1.00 0.00 ATOM 1087 N GLN 139 35.784 16.553 14.701 1.00 0.00 ATOM 1088 CA GLN 139 35.894 15.155 15.217 1.00 0.00 ATOM 1089 CB GLN 139 37.359 14.789 15.507 1.00 0.00 ATOM 1090 CG GLN 139 38.207 14.849 14.263 1.00 0.00 ATOM 1091 CD GLN 139 39.692 14.574 14.458 1.00 0.00 ATOM 1092 OE1 GLN 139 40.402 14.499 13.477 1.00 0.00 ATOM 1093 NE2 GLN 139 40.168 14.457 15.702 1.00 0.00 ATOM 1094 O GLN 139 35.213 13.683 16.994 1.00 0.00 ATOM 1095 C GLN 139 35.071 14.791 16.466 1.00 0.00 ATOM 1096 N GLU 140 34.230 15.687 16.950 1.00 0.00 ATOM 1097 CA GLU 140 33.415 15.372 18.136 1.00 0.00 ATOM 1098 CB GLU 140 32.576 16.583 18.572 1.00 0.00 ATOM 1099 CG GLU 140 33.415 17.798 19.030 1.00 0.00 ATOM 1100 CD GLU 140 34.465 17.449 20.085 1.00 0.00 ATOM 1101 OE1 GLU 140 34.105 16.847 21.132 1.00 0.00 ATOM 1102 OE2 GLU 140 35.652 17.787 19.861 1.00 0.00 ATOM 1103 O GLU 140 32.301 13.388 18.896 1.00 0.00 ATOM 1104 C GLU 140 32.530 14.129 17.946 1.00 0.00 ATOM 1105 N GLY 141 32.076 13.866 16.724 1.00 0.00 ATOM 1106 CA GLY 141 31.224 12.696 16.456 1.00 0.00 ATOM 1107 O GLY 141 31.312 10.350 15.986 1.00 0.00 ATOM 1108 C GLY 141 31.938 11.410 16.065 1.00 0.00 ATOM 1109 N ALA 142 33.242 11.492 15.806 1.00 0.00 ATOM 1110 CA ALA 142 33.984 10.362 15.245 1.00 0.00 ATOM 1111 CB ALA 142 35.376 10.817 14.778 1.00 0.00 ATOM 1112 O ALA 142 34.147 9.404 17.454 1.00 0.00 ATOM 1113 C ALA 142 34.114 9.204 16.239 1.00 0.00 ATOM 1114 N GLN 143 34.174 7.990 15.700 1.00 0.00 ATOM 1115 CA GLN 143 34.454 6.818 16.509 1.00 0.00 ATOM 1116 CB GLN 143 34.293 5.557 15.653 1.00 0.00 ATOM 1117 CG GLN 143 34.457 4.242 16.422 1.00 0.00 ATOM 1118 CD GLN 143 33.284 3.316 16.189 1.00 0.00 ATOM 1119 OE1 GLN 143 32.164 3.606 16.625 1.00 0.00 ATOM 1120 NE2 GLN 143 33.524 2.208 15.490 1.00 0.00 ATOM 1121 O GLN 143 36.815 7.188 16.317 1.00 0.00 ATOM 1122 C GLN 143 35.881 6.913 17.068 1.00 0.00 ATOM 1123 N ALA 144 36.050 6.684 18.368 1.00 0.00 ATOM 1124 CA ALA 144 37.381 6.774 18.992 1.00 0.00 ATOM 1125 CB ALA 144 37.298 6.535 20.504 1.00 0.00 ATOM 1126 O ALA 144 38.043 4.667 17.993 1.00 0.00 ATOM 1127 C ALA 144 38.390 5.796 18.352 1.00 0.00 ATOM 1128 N PRO 145 39.633 6.244 18.163 1.00 0.00 ATOM 1129 CA PRO 145 40.619 5.370 17.538 1.00 0.00 ATOM 1130 CB PRO 145 41.843 6.281 17.380 1.00 0.00 ATOM 1131 CG PRO 145 41.269 7.670 17.385 1.00 0.00 ATOM 1132 CD PRO 145 40.205 7.574 18.430 1.00 0.00 ATOM 1133 O PRO 145 41.360 4.285 19.556 1.00 0.00 ATOM 1134 C PRO 145 40.926 4.160 18.406 1.00 0.00 ATOM 1135 N GLN 146 40.672 2.987 17.862 1.00 0.00 ATOM 1136 CA GLN 146 40.863 1.776 18.631 1.00 0.00 ATOM 1137 CB GLN 146 40.001 0.680 18.037 1.00 0.00 ATOM 1138 CG GLN 146 40.018 -0.589 18.835 1.00 0.00 ATOM 1139 CD GLN 146 39.090 -1.627 18.261 1.00 0.00 ATOM 1140 OE1 GLN 146 38.299 -1.334 17.356 1.00 0.00 ATOM 1141 NE2 GLN 146 39.185 -2.858 18.774 1.00 0.00 ATOM 1142 O GLN 146 42.809 0.953 19.780 1.00 0.00 ATOM 1143 C GLN 146 42.334 1.337 18.713 1.00 0.00 ATOM 1144 N TYR 147 43.039 1.416 17.591 1.00 0.00 ATOM 1145 CA TYR 147 44.374 0.814 17.435 1.00 0.00 ATOM 1146 CB TYR 147 44.463 0.121 16.060 1.00 0.00 ATOM 1147 CG TYR 147 43.453 -1.005 15.986 1.00 0.00 ATOM 1148 CD1 TYR 147 43.754 -2.267 16.458 1.00 0.00 ATOM 1149 CD2 TYR 147 42.177 -0.788 15.487 1.00 0.00 ATOM 1150 CE1 TYR 147 42.814 -3.286 16.434 1.00 0.00 ATOM 1151 CE2 TYR 147 41.239 -1.815 15.438 1.00 0.00 ATOM 1152 CZ TYR 147 41.567 -3.041 15.931 1.00 0.00 ATOM 1153 OH TYR 147 40.638 -4.021 15.888 1.00 0.00 ATOM 1154 O TYR 147 46.138 2.348 16.736 1.00 0.00 ATOM 1155 C TYR 147 45.466 1.862 17.662 1.00 0.00 ATOM 1156 N MET 148 45.610 2.195 18.940 1.00 0.00 ATOM 1157 CA MET 148 46.497 3.222 19.422 1.00 0.00 ATOM 1158 CB MET 148 45.679 4.254 20.183 1.00 0.00 ATOM 1159 CG MET 148 44.678 4.892 19.330 1.00 0.00 ATOM 1160 SD MET 148 45.595 6.323 18.534 1.00 0.00 ATOM 1161 CE MET 148 44.944 7.546 20.064 1.00 0.00 ATOM 1162 O MET 148 46.966 1.779 21.198 1.00 0.00 ATOM 1163 C MET 148 47.406 2.613 20.430 1.00 0.00 ATOM 1164 N GLY 149 48.644 3.091 20.493 1.00 0.00 ATOM 1165 CA GLY 149 49.584 2.639 21.502 1.00 0.00 ATOM 1166 O GLY 149 50.128 0.521 22.448 1.00 0.00 ATOM 1167 C GLY 149 49.816 1.144 21.441 1.00 0.00 ATOM 1168 N ARG 150 49.704 0.552 20.250 1.00 0.00 ATOM 1169 CA ARG 150 49.788 -0.903 20.139 1.00 0.00 ATOM 1170 CB ARG 150 49.058 -1.378 18.864 1.00 0.00 ATOM 1171 CG ARG 150 47.561 -1.124 18.890 1.00 0.00 ATOM 1172 CD ARG 150 46.984 -1.862 20.052 1.00 0.00 ATOM 1173 NE ARG 150 45.538 -1.818 20.149 1.00 0.00 ATOM 1174 CZ ARG 150 44.727 -2.864 20.003 1.00 0.00 ATOM 1175 NH1 ARG 150 45.201 -4.072 19.699 1.00 0.00 ATOM 1176 NH2 ARG 150 43.421 -2.682 20.146 1.00 0.00 ATOM 1177 O ARG 150 52.148 -0.766 19.638 1.00 0.00 ATOM 1178 C ARG 150 51.234 -1.420 20.150 1.00 0.00 ATOM 1179 N THR 151 51.417 -2.604 20.737 1.00 0.00 ATOM 1180 CA THR 151 52.708 -3.287 20.755 1.00 0.00 ATOM 1181 CB THR 151 53.446 -3.175 22.133 1.00 0.00 ATOM 1182 CG2 THR 151 53.815 -1.730 22.465 1.00 0.00 ATOM 1183 OG1 THR 151 52.623 -3.705 23.178 1.00 0.00 ATOM 1184 O THR 151 51.438 -5.331 20.625 1.00 0.00 ATOM 1185 C THR 151 52.506 -4.763 20.418 1.00 0.00 ATOM 1186 N ILE 152 53.548 -5.366 19.860 1.00 0.00 ATOM 1187 CA ILE 152 53.482 -6.689 19.280 1.00 0.00 ATOM 1188 CB ILE 152 54.402 -6.778 18.040 1.00 0.00 ATOM 1189 CG1 ILE 152 53.830 -5.935 16.893 1.00 0.00 ATOM 1190 CG2 ILE 152 54.555 -8.197 17.599 1.00 0.00 ATOM 1191 CD1 ILE 152 54.870 -5.497 15.839 1.00 0.00 ATOM 1192 O ILE 152 54.929 -7.438 21.002 1.00 0.00 ATOM 1193 C ILE 152 53.949 -7.684 20.305 1.00 0.00 ATOM 1194 N LYS 153 53.270 -8.822 20.368 1.00 0.00 ATOM 1195 CA LYS 153 53.688 -9.940 21.218 1.00 0.00 ATOM 1196 CB LYS 153 53.241 -9.696 22.656 1.00 0.00 ATOM 1197 CG LYS 153 51.728 -9.656 22.822 1.00 0.00 ATOM 1198 O LYS 153 51.898 -11.201 20.295 1.00 0.00 ATOM 1199 C LYS 153 53.050 -11.222 20.732 1.00 0.00 ATOM 1200 N LEU 154 53.771 -12.336 20.821 1.00 0.00 ATOM 1201 CA LEU 154 53.164 -13.655 20.553 1.00 0.00 ATOM 1202 CB LEU 154 54.220 -14.768 20.441 1.00 0.00 ATOM 1203 CG LEU 154 55.226 -14.749 19.287 1.00 0.00 ATOM 1204 CD1 LEU 154 56.341 -15.720 19.529 1.00 0.00 ATOM 1205 CD2 LEU 154 54.549 -15.068 17.968 1.00 0.00 ATOM 1206 O LEU 154 52.428 -13.617 22.837 1.00 0.00 ATOM 1207 C LEU 154 52.181 -13.985 21.691 1.00 0.00 ATOM 1208 N PRO 155 51.060 -14.661 21.377 1.00 0.00 ATOM 1209 CA PRO 155 50.150 -15.078 22.449 1.00 0.00 ATOM 1210 CB PRO 155 49.010 -15.788 21.701 1.00 0.00 ATOM 1211 CG PRO 155 49.567 -16.162 20.399 1.00 0.00 ATOM 1212 CD PRO 155 50.575 -15.094 20.056 1.00 0.00 ATOM 1213 O PRO 155 51.701 -16.809 22.924 1.00 0.00 ATOM 1214 C PRO 155 50.869 -16.034 23.381 1.00 0.00 ATOM 1215 N ALA 156 50.567 -15.974 24.672 1.00 0.00 ATOM 1216 CA ALA 156 51.384 -16.666 25.673 1.00 0.00 ATOM 1217 CB ALA 156 51.020 -16.192 27.043 1.00 0.00 ATOM 1218 O ALA 156 52.199 -18.892 26.069 1.00 0.00 ATOM 1219 C ALA 156 51.290 -18.194 25.594 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 T0364.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.817 # GDT_score = -66.830 # GDT_score(maxd=8.000,maxw=2.900)= -69.228 # GDT_score(maxd=8.000,maxw=3.200)= -67.052 # GDT_score(maxd=8.000,maxw=3.500)= -64.841 # GDT_score(maxd=10.000,maxw=3.800)= -66.312 # GDT_score(maxd=10.000,maxw=4.000)= -64.754 # GDT_score(maxd=10.000,maxw=4.200)= -63.072 # GDT_score(maxd=12.000,maxw=4.300)= -65.488 # GDT_score(maxd=12.000,maxw=4.500)= -63.840 # GDT_score(maxd=12.000,maxw=4.700)= -62.165 # GDT_score(maxd=14.000,maxw=5.200)= -60.770 # GDT_score(maxd=14.000,maxw=5.500)= -58.289 # command:# ReadConformPDB reading from PDB file T0364.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.830 # GDT_score = -65.033 # GDT_score(maxd=8.000,maxw=2.900)= -68.422 # GDT_score(maxd=8.000,maxw=3.200)= -65.444 # GDT_score(maxd=8.000,maxw=3.500)= -62.472 # GDT_score(maxd=10.000,maxw=3.800)= -64.324 # GDT_score(maxd=10.000,maxw=4.000)= -62.413 # GDT_score(maxd=10.000,maxw=4.200)= -60.469 # GDT_score(maxd=12.000,maxw=4.300)= -63.335 # GDT_score(maxd=12.000,maxw=4.500)= -61.448 # GDT_score(maxd=12.000,maxw=4.700)= -59.546 # GDT_score(maxd=14.000,maxw=5.200)= -58.070 # GDT_score(maxd=14.000,maxw=5.500)= -55.452 # command:# ReadConformPDB reading from PDB file T0364.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0364.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0364.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0364 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 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try3-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 T0364.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0364.try7-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 ../dimer/decoys/T0364.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try1-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try1-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try10-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try10-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try10-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try10-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try10-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try10-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try10-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try10-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try11-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try11-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try11-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try11-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try11-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try11-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try11-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try11-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try12-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try12-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try12-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try12-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try12-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try12-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try12-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try12-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try13-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try13-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try13-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try13-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try13-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try13-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try13-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try13-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try14-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try14-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try14-opt1.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try14-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try14-opt2.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try14-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try14-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try14-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try14-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try14-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try14-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try14-opt2.unpack.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try14-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try15-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try15-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try15-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try15-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try15-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try15-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try15-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try15-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try2-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0364.try2-opt2.unpack.gromacs0.pdb.gz failed. # naming current conformation dimer//try2-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try3-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0364.try3-opt2.unpack.gromacs0.pdb.gz failed. # naming current conformation dimer//try3-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 Error: Reading chain from PDB file ../dimer/decoys/T0364.try3-opt2.unpack.pdb.gz failed. # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0364.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1s5uA-from-try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1s5uA-from-try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1s5uA-from-try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1s5uA-from-try6-opt2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_225988783.pdb -s /var/tmp/to_scwrl_225988783.seq -o /var/tmp/from_scwrl_225988783.pdb > /var/tmp/scwrl_225988783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_225988783.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1491394782.pdb -s /var/tmp/to_scwrl_1491394782.seq -o /var/tmp/from_scwrl_1491394782.pdb > /var/tmp/scwrl_1491394782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1491394782.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_310831350.pdb -s /var/tmp/to_scwrl_310831350.seq -o /var/tmp/from_scwrl_310831350.pdb > /var/tmp/scwrl_310831350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310831350.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_553522402.pdb -s /var/tmp/to_scwrl_553522402.seq -o /var/tmp/from_scwrl_553522402.pdb > /var/tmp/scwrl_553522402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_553522402.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2040595749.pdb -s /var/tmp/to_scwrl_2040595749.seq -o /var/tmp/from_scwrl_2040595749.pdb > /var/tmp/scwrl_2040595749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040595749.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1061411728.pdb -s /var/tmp/to_scwrl_1061411728.seq -o /var/tmp/from_scwrl_1061411728.pdb > /var/tmp/scwrl_1061411728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061411728.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_699792381.pdb -s /var/tmp/to_scwrl_699792381.seq -o /var/tmp/from_scwrl_699792381.pdb > /var/tmp/scwrl_699792381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_699792381.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_756721029.pdb -s /var/tmp/to_scwrl_756721029.seq -o /var/tmp/from_scwrl_756721029.pdb > /var/tmp/scwrl_756721029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_756721029.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1645886016.pdb -s /var/tmp/to_scwrl_1645886016.seq -o /var/tmp/from_scwrl_1645886016.pdb > /var/tmp/scwrl_1645886016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645886016.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1603564026.pdb -s /var/tmp/to_scwrl_1603564026.seq -o /var/tmp/from_scwrl_1603564026.pdb > /var/tmp/scwrl_1603564026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1603564026.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1076975827.pdb -s /var/tmp/to_scwrl_1076975827.seq -o /var/tmp/from_scwrl_1076975827.pdb > /var/tmp/scwrl_1076975827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1076975827.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1988187408.pdb -s /var/tmp/to_scwrl_1988187408.seq -o /var/tmp/from_scwrl_1988187408.pdb > /var/tmp/scwrl_1988187408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988187408.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2092577866.pdb -s /var/tmp/to_scwrl_2092577866.seq -o /var/tmp/from_scwrl_2092577866.pdb > /var/tmp/scwrl_2092577866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2092577866.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 T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1574554845.pdb -s /var/tmp/to_scwrl_1574554845.seq -o /var/tmp/from_scwrl_1574554845.pdb > /var/tmp/scwrl_1574554845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574554845.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_201252077.pdb -s /var/tmp/to_scwrl_201252077.seq -o /var/tmp/from_scwrl_201252077.pdb > /var/tmp/scwrl_201252077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201252077.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 153 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_168438065.pdb -s /var/tmp/to_scwrl_168438065.seq -o /var/tmp/from_scwrl_168438065.pdb > /var/tmp/scwrl_168438065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_168438065.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 119 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_411020795.pdb -s /var/tmp/to_scwrl_411020795.seq -o /var/tmp/from_scwrl_411020795.pdb > /var/tmp/scwrl_411020795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_411020795.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 119 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_978749104.pdb -s /var/tmp/to_scwrl_978749104.seq -o /var/tmp/from_scwrl_978749104.pdb > /var/tmp/scwrl_978749104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978749104.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 118 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_452635812.pdb -s /var/tmp/to_scwrl_452635812.seq -o /var/tmp/from_scwrl_452635812.pdb > /var/tmp/scwrl_452635812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_452635812.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 119 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1524962743.pdb -s /var/tmp/to_scwrl_1524962743.seq -o /var/tmp/from_scwrl_1524962743.pdb > /var/tmp/scwrl_1524962743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524962743.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 137 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_991327809.pdb -s /var/tmp/to_scwrl_991327809.seq -o /var/tmp/from_scwrl_991327809.pdb > /var/tmp/scwrl_991327809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_991327809.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_160973181.pdb -s /var/tmp/to_scwrl_160973181.seq -o /var/tmp/from_scwrl_160973181.pdb > /var/tmp/scwrl_160973181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_160973181.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 143 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_128066473.pdb -s /var/tmp/to_scwrl_128066473.seq -o /var/tmp/from_scwrl_128066473.pdb > /var/tmp/scwrl_128066473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_128066473.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 151 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1499549257.pdb -s /var/tmp/to_scwrl_1499549257.seq -o /var/tmp/from_scwrl_1499549257.pdb > /var/tmp/scwrl_1499549257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499549257.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 137 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_3831764.pdb -s /var/tmp/to_scwrl_3831764.seq -o /var/tmp/from_scwrl_3831764.pdb > /var/tmp/scwrl_3831764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3831764.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 127 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_138753025.pdb -s /var/tmp/to_scwrl_138753025.seq -o /var/tmp/from_scwrl_138753025.pdb > /var/tmp/scwrl_138753025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_138753025.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_969237798.pdb -s /var/tmp/to_scwrl_969237798.seq -o /var/tmp/from_scwrl_969237798.pdb > /var/tmp/scwrl_969237798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_969237798.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 T0364 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1685827526.pdb -s /var/tmp/to_scwrl_1685827526.seq -o /var/tmp/from_scwrl_1685827526.pdb > /var/tmp/scwrl_1685827526.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685827526.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 T0364 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2066720180.pdb -s /var/tmp/to_scwrl_2066720180.seq -o /var/tmp/from_scwrl_2066720180.pdb > /var/tmp/scwrl_2066720180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2066720180.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1640520543.pdb -s /var/tmp/to_scwrl_1640520543.seq -o /var/tmp/from_scwrl_1640520543.pdb > /var/tmp/scwrl_1640520543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640520543.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 T0364 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1472015121.pdb -s /var/tmp/to_scwrl_1472015121.seq -o /var/tmp/from_scwrl_1472015121.pdb > /var/tmp/scwrl_1472015121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1472015121.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_145225317.pdb -s /var/tmp/to_scwrl_145225317.seq -o /var/tmp/from_scwrl_145225317.pdb > /var/tmp/scwrl_145225317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_145225317.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 T0364 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_984431679.pdb -s /var/tmp/to_scwrl_984431679.seq -o /var/tmp/from_scwrl_984431679.pdb > /var/tmp/scwrl_984431679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_984431679.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 T0364 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1782846471.pdb -s /var/tmp/to_scwrl_1782846471.seq -o /var/tmp/from_scwrl_1782846471.pdb > /var/tmp/scwrl_1782846471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782846471.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 T0364 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_698747719.pdb -s /var/tmp/to_scwrl_698747719.seq -o /var/tmp/from_scwrl_698747719.pdb > /var/tmp/scwrl_698747719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_698747719.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 T0364 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_877543781.pdb -s /var/tmp/to_scwrl_877543781.seq -o /var/tmp/from_scwrl_877543781.pdb > /var/tmp/scwrl_877543781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_877543781.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 T0364 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_696774552.pdb -s /var/tmp/to_scwrl_696774552.seq -o /var/tmp/from_scwrl_696774552.pdb > /var/tmp/scwrl_696774552.log Error: can't open any of /var/tmp/from_scwrl_696774552.pdb or /var/tmp/from_scwrl_696774552_b.pdb or /var/tmp/from_scwrl_696774552_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 T0364 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1398540099.pdb -s /var/tmp/to_scwrl_1398540099.seq -o /var/tmp/from_scwrl_1398540099.pdb > /var/tmp/scwrl_1398540099.log Error: can't open any of /var/tmp/from_scwrl_1398540099.pdb or /var/tmp/from_scwrl_1398540099_b.pdb or /var/tmp/from_scwrl_1398540099_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 T0364 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1634264809.pdb -s /var/tmp/to_scwrl_1634264809.seq -o /var/tmp/from_scwrl_1634264809.pdb > /var/tmp/scwrl_1634264809.log Error: can't open any of /var/tmp/from_scwrl_1634264809.pdb or /var/tmp/from_scwrl_1634264809_b.pdb or /var/tmp/from_scwrl_1634264809_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 T0364 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_195176921.pdb -s /var/tmp/to_scwrl_195176921.seq -o /var/tmp/from_scwrl_195176921.pdb > /var/tmp/scwrl_195176921.log Error: can't open any of /var/tmp/from_scwrl_195176921.pdb or /var/tmp/from_scwrl_195176921_b.pdb or /var/tmp/from_scwrl_195176921_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 T0364 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_854620480.pdb -s /var/tmp/to_scwrl_854620480.seq -o /var/tmp/from_scwrl_854620480.pdb > /var/tmp/scwrl_854620480.log Error: can't open any of /var/tmp/from_scwrl_854620480.pdb or /var/tmp/from_scwrl_854620480_b.pdb or /var/tmp/from_scwrl_854620480_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 155 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_563756990.pdb -s /var/tmp/to_scwrl_563756990.seq -o /var/tmp/from_scwrl_563756990.pdb > /var/tmp/scwrl_563756990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_563756990.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 T0364 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_35880683.pdb -s /var/tmp/to_scwrl_35880683.seq -o /var/tmp/from_scwrl_35880683.pdb > /var/tmp/scwrl_35880683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_35880683.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 T0364 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_799714699.pdb -s /var/tmp/to_scwrl_799714699.seq -o /var/tmp/from_scwrl_799714699.pdb > /var/tmp/scwrl_799714699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_799714699.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 T0364 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2138311836.pdb -s /var/tmp/to_scwrl_2138311836.seq -o /var/tmp/from_scwrl_2138311836.pdb > /var/tmp/scwrl_2138311836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138311836.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 T0364 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_237132760.pdb -s /var/tmp/to_scwrl_237132760.seq -o /var/tmp/from_scwrl_237132760.pdb > /var/tmp/scwrl_237132760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237132760.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 155 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_968152764.pdb -s /var/tmp/to_scwrl_968152764.seq -o /var/tmp/from_scwrl_968152764.pdb > /var/tmp/scwrl_968152764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968152764.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 155 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_401848984.pdb -s /var/tmp/to_scwrl_401848984.seq -o /var/tmp/from_scwrl_401848984.pdb > /var/tmp/scwrl_401848984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_401848984.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 T0364 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1215881863.pdb -s /var/tmp/to_scwrl_1215881863.seq -o /var/tmp/from_scwrl_1215881863.pdb > /var/tmp/scwrl_1215881863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1215881863.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 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1420788576.pdb -s /var/tmp/to_scwrl_1420788576.seq -o /var/tmp/from_scwrl_1420788576.pdb > /var/tmp/scwrl_1420788576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1420788576.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 154 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1926811728.pdb -s /var/tmp/to_scwrl_1926811728.seq -o /var/tmp/from_scwrl_1926811728.pdb > /var/tmp/scwrl_1926811728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1926811728.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 118 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_59726025.pdb -s /var/tmp/to_scwrl_59726025.seq -o /var/tmp/from_scwrl_59726025.pdb > /var/tmp/scwrl_59726025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_59726025.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1581761757.pdb -s /var/tmp/to_scwrl_1581761757.seq -o /var/tmp/from_scwrl_1581761757.pdb > /var/tmp/scwrl_1581761757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581761757.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 148 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2054878201.pdb -s /var/tmp/to_scwrl_2054878201.seq -o /var/tmp/from_scwrl_2054878201.pdb > /var/tmp/scwrl_2054878201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054878201.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 133 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1559275282.pdb -s /var/tmp/to_scwrl_1559275282.seq -o /var/tmp/from_scwrl_1559275282.pdb > /var/tmp/scwrl_1559275282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559275282.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 118 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1585593521.pdb -s /var/tmp/to_scwrl_1585593521.seq -o /var/tmp/from_scwrl_1585593521.pdb > /var/tmp/scwrl_1585593521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1585593521.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 T0364 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_46147579.pdb -s /var/tmp/to_scwrl_46147579.seq -o /var/tmp/from_scwrl_46147579.pdb > /var/tmp/scwrl_46147579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_46147579.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 T0364 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_381029433.pdb -s /var/tmp/to_scwrl_381029433.seq -o /var/tmp/from_scwrl_381029433.pdb > /var/tmp/scwrl_381029433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_381029433.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 T0364 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1123937400.pdb -s /var/tmp/to_scwrl_1123937400.seq -o /var/tmp/from_scwrl_1123937400.pdb > /var/tmp/scwrl_1123937400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1123937400.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 T0364 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2112867760.pdb -s /var/tmp/to_scwrl_2112867760.seq -o /var/tmp/from_scwrl_2112867760.pdb > /var/tmp/scwrl_2112867760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2112867760.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 T0364 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2021549977.pdb -s /var/tmp/to_scwrl_2021549977.seq -o /var/tmp/from_scwrl_2021549977.pdb > /var/tmp/scwrl_2021549977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2021549977.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 T0364 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_448468875.pdb -s /var/tmp/to_scwrl_448468875.seq -o /var/tmp/from_scwrl_448468875.pdb > /var/tmp/scwrl_448468875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_448468875.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 T0364 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_110609430.pdb -s /var/tmp/to_scwrl_110609430.seq -o /var/tmp/from_scwrl_110609430.pdb > /var/tmp/scwrl_110609430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110609430.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 T0364 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_858498009.pdb -s /var/tmp/to_scwrl_858498009.seq -o /var/tmp/from_scwrl_858498009.pdb > /var/tmp/scwrl_858498009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_858498009.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 T0364 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_83831700.pdb -s /var/tmp/to_scwrl_83831700.seq -o /var/tmp/from_scwrl_83831700.pdb > /var/tmp/scwrl_83831700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_83831700.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 T0364 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_809357149.pdb -s /var/tmp/to_scwrl_809357149.seq -o /var/tmp/from_scwrl_809357149.pdb > /var/tmp/scwrl_809357149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_809357149.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 140 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1736041790.pdb -s /var/tmp/to_scwrl_1736041790.seq -o /var/tmp/from_scwrl_1736041790.pdb > /var/tmp/scwrl_1736041790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1736041790.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 154 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_780606252.pdb -s /var/tmp/to_scwrl_780606252.seq -o /var/tmp/from_scwrl_780606252.pdb > /var/tmp/scwrl_780606252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_780606252.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 146 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_60413602.pdb -s /var/tmp/to_scwrl_60413602.seq -o /var/tmp/from_scwrl_60413602.pdb > /var/tmp/scwrl_60413602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_60413602.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 132 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1222822952.pdb -s /var/tmp/to_scwrl_1222822952.seq -o /var/tmp/from_scwrl_1222822952.pdb > /var/tmp/scwrl_1222822952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1222822952.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 144 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_975783174.pdb -s /var/tmp/to_scwrl_975783174.seq -o /var/tmp/from_scwrl_975783174.pdb > /var/tmp/scwrl_975783174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975783174.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 T0364 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_915034082.pdb -s /var/tmp/to_scwrl_915034082.seq -o /var/tmp/from_scwrl_915034082.pdb > /var/tmp/scwrl_915034082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915034082.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 T0364 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1786579943.pdb -s /var/tmp/to_scwrl_1786579943.seq -o /var/tmp/from_scwrl_1786579943.pdb > /var/tmp/scwrl_1786579943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1786579943.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 T0364 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1011663857.pdb -s /var/tmp/to_scwrl_1011663857.seq -o /var/tmp/from_scwrl_1011663857.pdb > /var/tmp/scwrl_1011663857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1011663857.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 131 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1714748780.pdb -s /var/tmp/to_scwrl_1714748780.seq -o /var/tmp/from_scwrl_1714748780.pdb > /var/tmp/scwrl_1714748780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1714748780.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 T0364 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1777408132.pdb -s /var/tmp/to_scwrl_1777408132.seq -o /var/tmp/from_scwrl_1777408132.pdb > /var/tmp/scwrl_1777408132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777408132.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 T0364 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1248796616.pdb -s /var/tmp/to_scwrl_1248796616.seq -o /var/tmp/from_scwrl_1248796616.pdb > /var/tmp/scwrl_1248796616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1248796616.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 T0364 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_535417898.pdb -s /var/tmp/to_scwrl_535417898.seq -o /var/tmp/from_scwrl_535417898.pdb > /var/tmp/scwrl_535417898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535417898.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 T0364 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_31773469.pdb -s /var/tmp/to_scwrl_31773469.seq -o /var/tmp/from_scwrl_31773469.pdb > /var/tmp/scwrl_31773469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_31773469.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 T0364 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_317194834.pdb -s /var/tmp/to_scwrl_317194834.seq -o /var/tmp/from_scwrl_317194834.pdb > /var/tmp/scwrl_317194834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317194834.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1956206474.pdb -s /var/tmp/to_scwrl_1956206474.seq -o /var/tmp/from_scwrl_1956206474.pdb > /var/tmp/scwrl_1956206474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956206474.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 155 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1958585197.pdb -s /var/tmp/to_scwrl_1958585197.seq -o /var/tmp/from_scwrl_1958585197.pdb > /var/tmp/scwrl_1958585197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1958585197.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 154 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_376920859.pdb -s /var/tmp/to_scwrl_376920859.seq -o /var/tmp/from_scwrl_376920859.pdb > /var/tmp/scwrl_376920859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376920859.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 154 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1390484584.pdb -s /var/tmp/to_scwrl_1390484584.seq -o /var/tmp/from_scwrl_1390484584.pdb > /var/tmp/scwrl_1390484584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1390484584.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 154 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1865979751.pdb -s /var/tmp/to_scwrl_1865979751.seq -o /var/tmp/from_scwrl_1865979751.pdb > /var/tmp/scwrl_1865979751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865979751.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 155 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1936196142.pdb -s /var/tmp/to_scwrl_1936196142.seq -o /var/tmp/from_scwrl_1936196142.pdb > /var/tmp/scwrl_1936196142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936196142.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 134 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_828594459.pdb -s /var/tmp/to_scwrl_828594459.seq -o /var/tmp/from_scwrl_828594459.pdb > /var/tmp/scwrl_828594459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_828594459.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 100 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1912127331.pdb -s /var/tmp/to_scwrl_1912127331.seq -o /var/tmp/from_scwrl_1912127331.pdb > /var/tmp/scwrl_1912127331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912127331.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 151 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_169741928.pdb -s /var/tmp/to_scwrl_169741928.seq -o /var/tmp/from_scwrl_169741928.pdb > /var/tmp/scwrl_169741928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169741928.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 130 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1952531859.pdb -s /var/tmp/to_scwrl_1952531859.seq -o /var/tmp/from_scwrl_1952531859.pdb > /var/tmp/scwrl_1952531859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1952531859.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 T0364 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1877511444.pdb -s /var/tmp/to_scwrl_1877511444.seq -o /var/tmp/from_scwrl_1877511444.pdb > /var/tmp/scwrl_1877511444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877511444.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 T0364 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_43808258.pdb -s /var/tmp/to_scwrl_43808258.seq -o /var/tmp/from_scwrl_43808258.pdb > /var/tmp/scwrl_43808258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_43808258.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 125 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_253517088.pdb -s /var/tmp/to_scwrl_253517088.seq -o /var/tmp/from_scwrl_253517088.pdb > /var/tmp/scwrl_253517088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_253517088.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 T0364 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1988120874.pdb -s /var/tmp/to_scwrl_1988120874.seq -o /var/tmp/from_scwrl_1988120874.pdb > /var/tmp/scwrl_1988120874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988120874.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 T0364 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_902306268.pdb -s /var/tmp/to_scwrl_902306268.seq -o /var/tmp/from_scwrl_902306268.pdb > /var/tmp/scwrl_902306268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902306268.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 118 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_337348788.pdb -s /var/tmp/to_scwrl_337348788.seq -o /var/tmp/from_scwrl_337348788.pdb > /var/tmp/scwrl_337348788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337348788.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 85 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_649994376.pdb -s /var/tmp/to_scwrl_649994376.seq -o /var/tmp/from_scwrl_649994376.pdb > /var/tmp/scwrl_649994376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_649994376.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 85 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_490864411.pdb -s /var/tmp/to_scwrl_490864411.seq -o /var/tmp/from_scwrl_490864411.pdb > /var/tmp/scwrl_490864411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_490864411.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 T0364 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1117955039.pdb -s /var/tmp/to_scwrl_1117955039.seq -o /var/tmp/from_scwrl_1117955039.pdb > /var/tmp/scwrl_1117955039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1117955039.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 T0364 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_710407978.pdb -s /var/tmp/to_scwrl_710407978.seq -o /var/tmp/from_scwrl_710407978.pdb > /var/tmp/scwrl_710407978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710407978.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 T0364 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1713687363.pdb -s /var/tmp/to_scwrl_1713687363.seq -o /var/tmp/from_scwrl_1713687363.pdb > /var/tmp/scwrl_1713687363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1713687363.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 T0364 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2093738213.pdb -s /var/tmp/to_scwrl_2093738213.seq -o /var/tmp/from_scwrl_2093738213.pdb > /var/tmp/scwrl_2093738213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093738213.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 T0364 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1625442059.pdb -s /var/tmp/to_scwrl_1625442059.seq -o /var/tmp/from_scwrl_1625442059.pdb > /var/tmp/scwrl_1625442059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1625442059.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 T0364 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1352783659.pdb -s /var/tmp/to_scwrl_1352783659.seq -o /var/tmp/from_scwrl_1352783659.pdb > /var/tmp/scwrl_1352783659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1352783659.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 T0364 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_957918423.pdb -s /var/tmp/to_scwrl_957918423.seq -o /var/tmp/from_scwrl_957918423.pdb > /var/tmp/scwrl_957918423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957918423.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 T0364 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1192707193.pdb -s /var/tmp/to_scwrl_1192707193.seq -o /var/tmp/from_scwrl_1192707193.pdb > /var/tmp/scwrl_1192707193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192707193.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 T0364 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_982708145.pdb -s /var/tmp/to_scwrl_982708145.seq -o /var/tmp/from_scwrl_982708145.pdb > /var/tmp/scwrl_982708145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_982708145.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 T0364 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_59231393.pdb -s /var/tmp/to_scwrl_59231393.seq -o /var/tmp/from_scwrl_59231393.pdb > /var/tmp/scwrl_59231393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_59231393.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 T0364 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1728125091.pdb -s /var/tmp/to_scwrl_1728125091.seq -o /var/tmp/from_scwrl_1728125091.pdb > /var/tmp/scwrl_1728125091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1728125091.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 147 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1014481615.pdb -s /var/tmp/to_scwrl_1014481615.seq -o /var/tmp/from_scwrl_1014481615.pdb > /var/tmp/scwrl_1014481615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014481615.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 148 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_376426227.pdb -s /var/tmp/to_scwrl_376426227.seq -o /var/tmp/from_scwrl_376426227.pdb > /var/tmp/scwrl_376426227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376426227.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 144 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1536847918.pdb -s /var/tmp/to_scwrl_1536847918.seq -o /var/tmp/from_scwrl_1536847918.pdb > /var/tmp/scwrl_1536847918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1536847918.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 116 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_825583165.pdb -s /var/tmp/to_scwrl_825583165.seq -o /var/tmp/from_scwrl_825583165.pdb > /var/tmp/scwrl_825583165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825583165.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 118 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_753347086.pdb -s /var/tmp/to_scwrl_753347086.seq -o /var/tmp/from_scwrl_753347086.pdb > /var/tmp/scwrl_753347086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_753347086.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 148 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_779848856.pdb -s /var/tmp/to_scwrl_779848856.seq -o /var/tmp/from_scwrl_779848856.pdb > /var/tmp/scwrl_779848856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_779848856.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 145 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_544079270.pdb -s /var/tmp/to_scwrl_544079270.seq -o /var/tmp/from_scwrl_544079270.pdb > /var/tmp/scwrl_544079270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_544079270.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 144 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_542059581.pdb -s /var/tmp/to_scwrl_542059581.seq -o /var/tmp/from_scwrl_542059581.pdb > /var/tmp/scwrl_542059581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542059581.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 116 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1608443314.pdb -s /var/tmp/to_scwrl_1608443314.seq -o /var/tmp/from_scwrl_1608443314.pdb > /var/tmp/scwrl_1608443314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608443314.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 149 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_308722954.pdb -s /var/tmp/to_scwrl_308722954.seq -o /var/tmp/from_scwrl_308722954.pdb > /var/tmp/scwrl_308722954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_308722954.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 155 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_711801510.pdb -s /var/tmp/to_scwrl_711801510.seq -o /var/tmp/from_scwrl_711801510.pdb > /var/tmp/scwrl_711801510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711801510.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 155 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1413491526.pdb -s /var/tmp/to_scwrl_1413491526.seq -o /var/tmp/from_scwrl_1413491526.pdb > /var/tmp/scwrl_1413491526.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413491526.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_38750751.pdb -s /var/tmp/to_scwrl_38750751.seq -o /var/tmp/from_scwrl_38750751.pdb > /var/tmp/scwrl_38750751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_38750751.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_755609768.pdb -s /var/tmp/to_scwrl_755609768.seq -o /var/tmp/from_scwrl_755609768.pdb > /var/tmp/scwrl_755609768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755609768.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1667008614.pdb -s /var/tmp/to_scwrl_1667008614.seq -o /var/tmp/from_scwrl_1667008614.pdb > /var/tmp/scwrl_1667008614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1667008614.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2026871625.pdb -s /var/tmp/to_scwrl_2026871625.seq -o /var/tmp/from_scwrl_2026871625.pdb > /var/tmp/scwrl_2026871625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026871625.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1657916035.pdb -s /var/tmp/to_scwrl_1657916035.seq -o /var/tmp/from_scwrl_1657916035.pdb > /var/tmp/scwrl_1657916035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657916035.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2004357402.pdb -s /var/tmp/to_scwrl_2004357402.seq -o /var/tmp/from_scwrl_2004357402.pdb > /var/tmp/scwrl_2004357402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2004357402.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_529382354.pdb -s /var/tmp/to_scwrl_529382354.seq -o /var/tmp/from_scwrl_529382354.pdb > /var/tmp/scwrl_529382354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_529382354.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1296799.pdb -s /var/tmp/to_scwrl_1296799.seq -o /var/tmp/from_scwrl_1296799.pdb > /var/tmp/scwrl_1296799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296799.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_974828796.pdb -s /var/tmp/to_scwrl_974828796.seq -o /var/tmp/from_scwrl_974828796.pdb > /var/tmp/scwrl_974828796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_974828796.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 141 ; scwrl -i /var/tmp/to_scwrl_1239790332.pdb -s /var/tmp/to_scwrl_1239790332.seq -o /var/tmp/from_scwrl_1239790332.pdb > /var/tmp/scwrl_1239790332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1239790332.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 141 ; scwrl -i /var/tmp/to_scwrl_1714984163.pdb -s /var/tmp/to_scwrl_1714984163.seq -o /var/tmp/from_scwrl_1714984163.pdb > /var/tmp/scwrl_1714984163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1714984163.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 141 ; scwrl -i /var/tmp/to_scwrl_921083362.pdb -s /var/tmp/to_scwrl_921083362.seq -o /var/tmp/from_scwrl_921083362.pdb > /var/tmp/scwrl_921083362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_921083362.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 141 ; scwrl -i /var/tmp/to_scwrl_717748745.pdb -s /var/tmp/to_scwrl_717748745.seq -o /var/tmp/from_scwrl_717748745.pdb > /var/tmp/scwrl_717748745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_717748745.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 141 ; scwrl -i /var/tmp/to_scwrl_920284176.pdb -s /var/tmp/to_scwrl_920284176.seq -o /var/tmp/from_scwrl_920284176.pdb > /var/tmp/scwrl_920284176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_920284176.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 122 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1879001785.pdb -s /var/tmp/to_scwrl_1879001785.seq -o /var/tmp/from_scwrl_1879001785.pdb > /var/tmp/scwrl_1879001785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1879001785.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1910455938.pdb -s /var/tmp/to_scwrl_1910455938.seq -o /var/tmp/from_scwrl_1910455938.pdb > /var/tmp/scwrl_1910455938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910455938.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 116 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1902992321.pdb -s /var/tmp/to_scwrl_1902992321.seq -o /var/tmp/from_scwrl_1902992321.pdb > /var/tmp/scwrl_1902992321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1902992321.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 117 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1938233178.pdb -s /var/tmp/to_scwrl_1938233178.seq -o /var/tmp/from_scwrl_1938233178.pdb > /var/tmp/scwrl_1938233178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1938233178.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 122 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1491097382.pdb -s /var/tmp/to_scwrl_1491097382.seq -o /var/tmp/from_scwrl_1491097382.pdb > /var/tmp/scwrl_1491097382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1491097382.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 T0364 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_769990289.pdb -s /var/tmp/to_scwrl_769990289.seq -o /var/tmp/from_scwrl_769990289.pdb > /var/tmp/scwrl_769990289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_769990289.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 T0364 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_167175758.pdb -s /var/tmp/to_scwrl_167175758.seq -o /var/tmp/from_scwrl_167175758.pdb > /var/tmp/scwrl_167175758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_167175758.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 T0364 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_880461654.pdb -s /var/tmp/to_scwrl_880461654.seq -o /var/tmp/from_scwrl_880461654.pdb > /var/tmp/scwrl_880461654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_880461654.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 T0364 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1595573453.pdb -s /var/tmp/to_scwrl_1595573453.seq -o /var/tmp/from_scwrl_1595573453.pdb > /var/tmp/scwrl_1595573453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595573453.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 T0364 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_920522844.pdb -s /var/tmp/to_scwrl_920522844.seq -o /var/tmp/from_scwrl_920522844.pdb > /var/tmp/scwrl_920522844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_920522844.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 T0364 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1660310509.pdb -s /var/tmp/to_scwrl_1660310509.seq -o /var/tmp/from_scwrl_1660310509.pdb > /var/tmp/scwrl_1660310509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1660310509.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2139652723.pdb -s /var/tmp/to_scwrl_2139652723.seq -o /var/tmp/from_scwrl_2139652723.pdb > /var/tmp/scwrl_2139652723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2139652723.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1462582425.pdb -s /var/tmp/to_scwrl_1462582425.seq -o /var/tmp/from_scwrl_1462582425.pdb > /var/tmp/scwrl_1462582425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1462582425.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1121270176.pdb -s /var/tmp/to_scwrl_1121270176.seq -o /var/tmp/from_scwrl_1121270176.pdb > /var/tmp/scwrl_1121270176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1121270176.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_300892030.pdb -s /var/tmp/to_scwrl_300892030.seq -o /var/tmp/from_scwrl_300892030.pdb > /var/tmp/scwrl_300892030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300892030.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_26900288.pdb -s /var/tmp/to_scwrl_26900288.seq -o /var/tmp/from_scwrl_26900288.pdb > /var/tmp/scwrl_26900288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_26900288.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 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_387278057.pdb -s /var/tmp/to_scwrl_387278057.seq -o /var/tmp/from_scwrl_387278057.pdb > /var/tmp/scwrl_387278057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_387278057.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 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_339642781.pdb -s /var/tmp/to_scwrl_339642781.seq -o /var/tmp/from_scwrl_339642781.pdb > /var/tmp/scwrl_339642781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_339642781.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_782510056.pdb -s /var/tmp/to_scwrl_782510056.seq -o /var/tmp/from_scwrl_782510056.pdb > /var/tmp/scwrl_782510056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_782510056.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2054286671.pdb -s /var/tmp/to_scwrl_2054286671.seq -o /var/tmp/from_scwrl_2054286671.pdb > /var/tmp/scwrl_2054286671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054286671.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 T0364 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_219030759.pdb -s /var/tmp/to_scwrl_219030759.seq -o /var/tmp/from_scwrl_219030759.pdb > /var/tmp/scwrl_219030759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219030759.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 67 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_292942445.pdb -s /var/tmp/to_scwrl_292942445.seq -o /var/tmp/from_scwrl_292942445.pdb > /var/tmp/scwrl_292942445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_292942445.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 136 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1911160427.pdb -s /var/tmp/to_scwrl_1911160427.seq -o /var/tmp/from_scwrl_1911160427.pdb > /var/tmp/scwrl_1911160427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1911160427.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_748413114.pdb -s /var/tmp/to_scwrl_748413114.seq -o /var/tmp/from_scwrl_748413114.pdb > /var/tmp/scwrl_748413114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_748413114.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_294239244.pdb -s /var/tmp/to_scwrl_294239244.seq -o /var/tmp/from_scwrl_294239244.pdb > /var/tmp/scwrl_294239244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_294239244.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 85 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_738505576.pdb -s /var/tmp/to_scwrl_738505576.seq -o /var/tmp/from_scwrl_738505576.pdb > /var/tmp/scwrl_738505576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738505576.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 154 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1988203446.pdb -s /var/tmp/to_scwrl_1988203446.seq -o /var/tmp/from_scwrl_1988203446.pdb > /var/tmp/scwrl_1988203446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988203446.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 154 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2009223407.pdb -s /var/tmp/to_scwrl_2009223407.seq -o /var/tmp/from_scwrl_2009223407.pdb > /var/tmp/scwrl_2009223407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2009223407.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 154 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1659588937.pdb -s /var/tmp/to_scwrl_1659588937.seq -o /var/tmp/from_scwrl_1659588937.pdb > /var/tmp/scwrl_1659588937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1659588937.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 153 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_558468544.pdb -s /var/tmp/to_scwrl_558468544.seq -o /var/tmp/from_scwrl_558468544.pdb > /var/tmp/scwrl_558468544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558468544.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 154 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_782023937.pdb -s /var/tmp/to_scwrl_782023937.seq -o /var/tmp/from_scwrl_782023937.pdb > /var/tmp/scwrl_782023937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_782023937.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 114 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1391107075.pdb -s /var/tmp/to_scwrl_1391107075.seq -o /var/tmp/from_scwrl_1391107075.pdb > /var/tmp/scwrl_1391107075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1391107075.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 87 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_321440836.pdb -s /var/tmp/to_scwrl_321440836.seq -o /var/tmp/from_scwrl_321440836.pdb > /var/tmp/scwrl_321440836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_321440836.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 87 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_537532611.pdb -s /var/tmp/to_scwrl_537532611.seq -o /var/tmp/from_scwrl_537532611.pdb > /var/tmp/scwrl_537532611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_537532611.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 116 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1181856606.pdb -s /var/tmp/to_scwrl_1181856606.seq -o /var/tmp/from_scwrl_1181856606.pdb > /var/tmp/scwrl_1181856606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181856606.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 114 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1812538218.pdb -s /var/tmp/to_scwrl_1812538218.seq -o /var/tmp/from_scwrl_1812538218.pdb > /var/tmp/scwrl_1812538218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812538218.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 116 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1307522899.pdb -s /var/tmp/to_scwrl_1307522899.seq -o /var/tmp/from_scwrl_1307522899.pdb > /var/tmp/scwrl_1307522899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1307522899.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 116 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1349032364.pdb -s /var/tmp/to_scwrl_1349032364.seq -o /var/tmp/from_scwrl_1349032364.pdb > /var/tmp/scwrl_1349032364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349032364.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 143 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_545516226.pdb -s /var/tmp/to_scwrl_545516226.seq -o /var/tmp/from_scwrl_545516226.pdb > /var/tmp/scwrl_545516226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545516226.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 152 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_755612706.pdb -s /var/tmp/to_scwrl_755612706.seq -o /var/tmp/from_scwrl_755612706.pdb > /var/tmp/scwrl_755612706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755612706.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 98 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_122071562.pdb -s /var/tmp/to_scwrl_122071562.seq -o /var/tmp/from_scwrl_122071562.pdb > /var/tmp/scwrl_122071562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122071562.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 150 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_58343088.pdb -s /var/tmp/to_scwrl_58343088.seq -o /var/tmp/from_scwrl_58343088.pdb > /var/tmp/scwrl_58343088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_58343088.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 146 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_747781783.pdb -s /var/tmp/to_scwrl_747781783.seq -o /var/tmp/from_scwrl_747781783.pdb > /var/tmp/scwrl_747781783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_747781783.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 141 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1584653987.pdb -s /var/tmp/to_scwrl_1584653987.seq -o /var/tmp/from_scwrl_1584653987.pdb > /var/tmp/scwrl_1584653987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1584653987.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 119 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1179613265.pdb -s /var/tmp/to_scwrl_1179613265.seq -o /var/tmp/from_scwrl_1179613265.pdb > /var/tmp/scwrl_1179613265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1179613265.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 137 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1048673813.pdb -s /var/tmp/to_scwrl_1048673813.seq -o /var/tmp/from_scwrl_1048673813.pdb > /var/tmp/scwrl_1048673813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1048673813.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1611554275.pdb -s /var/tmp/to_scwrl_1611554275.seq -o /var/tmp/from_scwrl_1611554275.pdb > /var/tmp/scwrl_1611554275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611554275.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1566891322.pdb -s /var/tmp/to_scwrl_1566891322.seq -o /var/tmp/from_scwrl_1566891322.pdb > /var/tmp/scwrl_1566891322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1566891322.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1388316594.pdb -s /var/tmp/to_scwrl_1388316594.seq -o /var/tmp/from_scwrl_1388316594.pdb > /var/tmp/scwrl_1388316594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1388316594.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_246580684.pdb -s /var/tmp/to_scwrl_246580684.seq -o /var/tmp/from_scwrl_246580684.pdb > /var/tmp/scwrl_246580684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246580684.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1473694346.pdb -s /var/tmp/to_scwrl_1473694346.seq -o /var/tmp/from_scwrl_1473694346.pdb > /var/tmp/scwrl_1473694346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1473694346.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1607347353.pdb -s /var/tmp/to_scwrl_1607347353.seq -o /var/tmp/from_scwrl_1607347353.pdb > /var/tmp/scwrl_1607347353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1607347353.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_539523129.pdb -s /var/tmp/to_scwrl_539523129.seq -o /var/tmp/from_scwrl_539523129.pdb > /var/tmp/scwrl_539523129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_539523129.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1237371126.pdb -s /var/tmp/to_scwrl_1237371126.seq -o /var/tmp/from_scwrl_1237371126.pdb > /var/tmp/scwrl_1237371126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237371126.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_208276820.pdb -s /var/tmp/to_scwrl_208276820.seq -o /var/tmp/from_scwrl_208276820.pdb > /var/tmp/scwrl_208276820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_208276820.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_833762374.pdb -s /var/tmp/to_scwrl_833762374.seq -o /var/tmp/from_scwrl_833762374.pdb > /var/tmp/scwrl_833762374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_833762374.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 152 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1975876702.pdb -s /var/tmp/to_scwrl_1975876702.seq -o /var/tmp/from_scwrl_1975876702.pdb > /var/tmp/scwrl_1975876702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1975876702.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_48996619.pdb -s /var/tmp/to_scwrl_48996619.seq -o /var/tmp/from_scwrl_48996619.pdb > /var/tmp/scwrl_48996619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48996619.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_695502134.pdb -s /var/tmp/to_scwrl_695502134.seq -o /var/tmp/from_scwrl_695502134.pdb > /var/tmp/scwrl_695502134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695502134.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1487981993.pdb -s /var/tmp/to_scwrl_1487981993.seq -o /var/tmp/from_scwrl_1487981993.pdb > /var/tmp/scwrl_1487981993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1487981993.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 T0364 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_607465164.pdb -s /var/tmp/to_scwrl_607465164.seq -o /var/tmp/from_scwrl_607465164.pdb > /var/tmp/scwrl_607465164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607465164.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 118 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1477526070.pdb -s /var/tmp/to_scwrl_1477526070.seq -o /var/tmp/from_scwrl_1477526070.pdb > /var/tmp/scwrl_1477526070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1477526070.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_731605422.pdb -s /var/tmp/to_scwrl_731605422.seq -o /var/tmp/from_scwrl_731605422.pdb > /var/tmp/scwrl_731605422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_731605422.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 119 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_928906000.pdb -s /var/tmp/to_scwrl_928906000.seq -o /var/tmp/from_scwrl_928906000.pdb > /var/tmp/scwrl_928906000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928906000.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 85 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2015058681.pdb -s /var/tmp/to_scwrl_2015058681.seq -o /var/tmp/from_scwrl_2015058681.pdb > /var/tmp/scwrl_2015058681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2015058681.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 118 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1913462029.pdb -s /var/tmp/to_scwrl_1913462029.seq -o /var/tmp/from_scwrl_1913462029.pdb > /var/tmp/scwrl_1913462029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913462029.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 118 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_593960571.pdb -s /var/tmp/to_scwrl_593960571.seq -o /var/tmp/from_scwrl_593960571.pdb > /var/tmp/scwrl_593960571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_593960571.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 115 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1175097933.pdb -s /var/tmp/to_scwrl_1175097933.seq -o /var/tmp/from_scwrl_1175097933.pdb > /var/tmp/scwrl_1175097933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1175097933.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 85 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1115010746.pdb -s /var/tmp/to_scwrl_1115010746.seq -o /var/tmp/from_scwrl_1115010746.pdb > /var/tmp/scwrl_1115010746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1115010746.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 119 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1139476796.pdb -s /var/tmp/to_scwrl_1139476796.seq -o /var/tmp/from_scwrl_1139476796.pdb > /var/tmp/scwrl_1139476796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139476796.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 134 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1930710640.pdb -s /var/tmp/to_scwrl_1930710640.seq -o /var/tmp/from_scwrl_1930710640.pdb > /var/tmp/scwrl_1930710640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1930710640.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 131 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1237082308.pdb -s /var/tmp/to_scwrl_1237082308.seq -o /var/tmp/from_scwrl_1237082308.pdb > /var/tmp/scwrl_1237082308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237082308.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1197819885.pdb -s /var/tmp/to_scwrl_1197819885.seq -o /var/tmp/from_scwrl_1197819885.pdb > /var/tmp/scwrl_1197819885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1197819885.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 119 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_531008776.pdb -s /var/tmp/to_scwrl_531008776.seq -o /var/tmp/from_scwrl_531008776.pdb > /var/tmp/scwrl_531008776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_531008776.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 128 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_674252649.pdb -s /var/tmp/to_scwrl_674252649.seq -o /var/tmp/from_scwrl_674252649.pdb > /var/tmp/scwrl_674252649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_674252649.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_229949504.pdb -s /var/tmp/to_scwrl_229949504.seq -o /var/tmp/from_scwrl_229949504.pdb > /var/tmp/scwrl_229949504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_229949504.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 T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1579682588.pdb -s /var/tmp/to_scwrl_1579682588.seq -o /var/tmp/from_scwrl_1579682588.pdb > /var/tmp/scwrl_1579682588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1579682588.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 T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_138323277.pdb -s /var/tmp/to_scwrl_138323277.seq -o /var/tmp/from_scwrl_138323277.pdb > /var/tmp/scwrl_138323277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_138323277.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 T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1796840826.pdb -s /var/tmp/to_scwrl_1796840826.seq -o /var/tmp/from_scwrl_1796840826.pdb > /var/tmp/scwrl_1796840826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796840826.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 T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_820515536.pdb -s /var/tmp/to_scwrl_820515536.seq -o /var/tmp/from_scwrl_820515536.pdb > /var/tmp/scwrl_820515536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_820515536.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 T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_384903962.pdb -s /var/tmp/to_scwrl_384903962.seq -o /var/tmp/from_scwrl_384903962.pdb > /var/tmp/scwrl_384903962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_384903962.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 T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1123051525.pdb -s /var/tmp/to_scwrl_1123051525.seq -o /var/tmp/from_scwrl_1123051525.pdb > /var/tmp/scwrl_1123051525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1123051525.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 T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_280379243.pdb -s /var/tmp/to_scwrl_280379243.seq -o /var/tmp/from_scwrl_280379243.pdb > /var/tmp/scwrl_280379243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_280379243.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 T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_924427091.pdb -s /var/tmp/to_scwrl_924427091.seq -o /var/tmp/from_scwrl_924427091.pdb > /var/tmp/scwrl_924427091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_924427091.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 T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_212939006.pdb -s /var/tmp/to_scwrl_212939006.seq -o /var/tmp/from_scwrl_212939006.pdb > /var/tmp/scwrl_212939006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_212939006.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 T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_488656063.pdb -s /var/tmp/to_scwrl_488656063.seq -o /var/tmp/from_scwrl_488656063.pdb > /var/tmp/scwrl_488656063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_488656063.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 T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1758189464.pdb -s /var/tmp/to_scwrl_1758189464.seq -o /var/tmp/from_scwrl_1758189464.pdb > /var/tmp/scwrl_1758189464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1758189464.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 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_41332061.pdb -s /var/tmp/to_scwrl_41332061.seq -o /var/tmp/from_scwrl_41332061.pdb > /var/tmp/scwrl_41332061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_41332061.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 154 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_537652683.pdb -s /var/tmp/to_scwrl_537652683.seq -o /var/tmp/from_scwrl_537652683.pdb > /var/tmp/scwrl_537652683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_537652683.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 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_306207952.pdb -s /var/tmp/to_scwrl_306207952.seq -o /var/tmp/from_scwrl_306207952.pdb > /var/tmp/scwrl_306207952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_306207952.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 154 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1529314054.pdb -s /var/tmp/to_scwrl_1529314054.seq -o /var/tmp/from_scwrl_1529314054.pdb > /var/tmp/scwrl_1529314054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1529314054.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 141 ; scwrl -i /var/tmp/to_scwrl_1145117846.pdb -s /var/tmp/to_scwrl_1145117846.seq -o /var/tmp/from_scwrl_1145117846.pdb > /var/tmp/scwrl_1145117846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145117846.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 T0364 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1783734022.pdb -s /var/tmp/to_scwrl_1783734022.seq -o /var/tmp/from_scwrl_1783734022.pdb > /var/tmp/scwrl_1783734022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1783734022.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 T0364 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_113435830.pdb -s /var/tmp/to_scwrl_113435830.seq -o /var/tmp/from_scwrl_113435830.pdb > /var/tmp/scwrl_113435830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113435830.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 T0364 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2074023846.pdb -s /var/tmp/to_scwrl_2074023846.seq -o /var/tmp/from_scwrl_2074023846.pdb > /var/tmp/scwrl_2074023846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2074023846.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 T0364 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1651309057.pdb -s /var/tmp/to_scwrl_1651309057.seq -o /var/tmp/from_scwrl_1651309057.pdb > /var/tmp/scwrl_1651309057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651309057.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 T0364 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2026897859.pdb -s /var/tmp/to_scwrl_2026897859.seq -o /var/tmp/from_scwrl_2026897859.pdb > /var/tmp/scwrl_2026897859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026897859.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_520500770.pdb -s /var/tmp/to_scwrl_520500770.seq -o /var/tmp/from_scwrl_520500770.pdb > /var/tmp/scwrl_520500770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520500770.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 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_678923344.pdb -s /var/tmp/to_scwrl_678923344.seq -o /var/tmp/from_scwrl_678923344.pdb > /var/tmp/scwrl_678923344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_678923344.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 137 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_994424959.pdb -s /var/tmp/to_scwrl_994424959.seq -o /var/tmp/from_scwrl_994424959.pdb > /var/tmp/scwrl_994424959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994424959.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1659977567.pdb -s /var/tmp/to_scwrl_1659977567.seq -o /var/tmp/from_scwrl_1659977567.pdb > /var/tmp/scwrl_1659977567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1659977567.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 85 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_462150337.pdb -s /var/tmp/to_scwrl_462150337.seq -o /var/tmp/from_scwrl_462150337.pdb > /var/tmp/scwrl_462150337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_462150337.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 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_84023621.pdb -s /var/tmp/to_scwrl_84023621.seq -o /var/tmp/from_scwrl_84023621.pdb > /var/tmp/scwrl_84023621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_84023621.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 153 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_710313806.pdb -s /var/tmp/to_scwrl_710313806.seq -o /var/tmp/from_scwrl_710313806.pdb > /var/tmp/scwrl_710313806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710313806.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_993159113.pdb -s /var/tmp/to_scwrl_993159113.seq -o /var/tmp/from_scwrl_993159113.pdb > /var/tmp/scwrl_993159113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993159113.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 153 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_758276270.pdb -s /var/tmp/to_scwrl_758276270.seq -o /var/tmp/from_scwrl_758276270.pdb > /var/tmp/scwrl_758276270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_758276270.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_940263310.pdb -s /var/tmp/to_scwrl_940263310.seq -o /var/tmp/from_scwrl_940263310.pdb > /var/tmp/scwrl_940263310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_940263310.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 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_425358055.pdb -s /var/tmp/to_scwrl_425358055.seq -o /var/tmp/from_scwrl_425358055.pdb > /var/tmp/scwrl_425358055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425358055.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 T0364 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_896599548.pdb -s /var/tmp/to_scwrl_896599548.seq -o /var/tmp/from_scwrl_896599548.pdb > /var/tmp/scwrl_896599548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_896599548.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 T0364 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_589620489.pdb -s /var/tmp/to_scwrl_589620489.seq -o /var/tmp/from_scwrl_589620489.pdb > /var/tmp/scwrl_589620489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_589620489.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 T0364 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1245873590.pdb -s /var/tmp/to_scwrl_1245873590.seq -o /var/tmp/from_scwrl_1245873590.pdb > /var/tmp/scwrl_1245873590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245873590.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 T0364 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1281503509.pdb -s /var/tmp/to_scwrl_1281503509.seq -o /var/tmp/from_scwrl_1281503509.pdb > /var/tmp/scwrl_1281503509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281503509.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 T0364 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1712672014.pdb -s /var/tmp/to_scwrl_1712672014.seq -o /var/tmp/from_scwrl_1712672014.pdb > /var/tmp/scwrl_1712672014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712672014.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1526252833.pdb -s /var/tmp/to_scwrl_1526252833.seq -o /var/tmp/from_scwrl_1526252833.pdb > /var/tmp/scwrl_1526252833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526252833.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_58446953.pdb -s /var/tmp/to_scwrl_58446953.seq -o /var/tmp/from_scwrl_58446953.pdb > /var/tmp/scwrl_58446953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_58446953.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1925611020.pdb -s /var/tmp/to_scwrl_1925611020.seq -o /var/tmp/from_scwrl_1925611020.pdb > /var/tmp/scwrl_1925611020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925611020.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2014908897.pdb -s /var/tmp/to_scwrl_2014908897.seq -o /var/tmp/from_scwrl_2014908897.pdb > /var/tmp/scwrl_2014908897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2014908897.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1816636418.pdb -s /var/tmp/to_scwrl_1816636418.seq -o /var/tmp/from_scwrl_1816636418.pdb > /var/tmp/scwrl_1816636418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1816636418.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 T0364 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1966943082.pdb -s /var/tmp/to_scwrl_1966943082.seq -o /var/tmp/from_scwrl_1966943082.pdb > /var/tmp/scwrl_1966943082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966943082.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 T0364 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_405077933.pdb -s /var/tmp/to_scwrl_405077933.seq -o /var/tmp/from_scwrl_405077933.pdb > /var/tmp/scwrl_405077933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_405077933.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 T0364 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_2122844370.pdb -s /var/tmp/to_scwrl_2122844370.seq -o /var/tmp/from_scwrl_2122844370.pdb > /var/tmp/scwrl_2122844370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122844370.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 T0364 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1348773489.pdb -s /var/tmp/to_scwrl_1348773489.seq -o /var/tmp/from_scwrl_1348773489.pdb > /var/tmp/scwrl_1348773489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1348773489.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 T0364 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1550195779.pdb -s /var/tmp/to_scwrl_1550195779.seq -o /var/tmp/from_scwrl_1550195779.pdb > /var/tmp/scwrl_1550195779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550195779.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 T0364 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1759094745.pdb -s /var/tmp/to_scwrl_1759094745.seq -o /var/tmp/from_scwrl_1759094745.pdb > /var/tmp/scwrl_1759094745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1759094745.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 T0364 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1462209319.pdb -s /var/tmp/to_scwrl_1462209319.seq -o /var/tmp/from_scwrl_1462209319.pdb > /var/tmp/scwrl_1462209319.log Error: can't open any of /var/tmp/from_scwrl_1462209319.pdb or /var/tmp/from_scwrl_1462209319_b.pdb or /var/tmp/from_scwrl_1462209319_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 141 ; scwrl -i /var/tmp/to_scwrl_1476735978.pdb -s /var/tmp/to_scwrl_1476735978.seq -o /var/tmp/from_scwrl_1476735978.pdb > /var/tmp/scwrl_1476735978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1476735978.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 44.275 sec, elapsed time= 679.197 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 497.681 real_cost = -71.212 shub_TS1 costs 485.744 real_cost = -66.340 panther2_TS1-scwrl costs 1025.845 real_cost = 413.143 nFOLD_TS5-scwrl costs 594.129 real_cost = -29.987 nFOLD_TS5 costs 3168.456 real_cost = 35.691 nFOLD_TS4-scwrl costs 548.175 real_cost = -35.855 nFOLD_TS4 costs 5344.823 real_cost = 41.245 nFOLD_TS3-scwrl costs 576.511 real_cost = -35.189 nFOLD_TS3 costs 6604.722 real_cost = 37.697 nFOLD_TS2-scwrl costs 584.200 real_cost = -28.420 nFOLD_TS2 costs 4579.747 real_cost = 32.328 nFOLD_TS1-scwrl costs 528.614 real_cost = -58.758 nFOLD_TS1 costs 19300.260 real_cost = 17.502 mGen-3D_TS1-scwrl costs 563.113 real_cost = -49.363 mGen-3D_TS1 costs 6600.305 real_cost = 20.489 keasar-server_TS5-scwrl costs 420.069 real_cost = 11.281 keasar-server_TS5 costs 414.590 real_cost = 19.980 keasar-server_TS4-scwrl costs 441.188 real_cost = 25.686 keasar-server_TS4 costs 423.523 real_cost = 31.582 keasar-server_TS3-scwrl costs 426.495 real_cost = 53.715 keasar-server_TS3 costs 419.782 real_cost = 55.042 keasar-server_TS2-scwrl costs 426.495 real_cost = 53.715 keasar-server_TS2 costs 419.782 real_cost = 55.042 keasar-server_TS1-scwrl costs 397.601 real_cost = 3.734 keasar-server_TS1 costs 399.446 real_cost = 17.872 karypis.srv_TS5-scwrl costs 675.219 real_cost = 30.141 karypis.srv_TS5 costs 666.372 real_cost = 30.866 karypis.srv_TS4-scwrl costs 696.464 real_cost = 31.322 karypis.srv_TS4 costs 684.179 real_cost = 30.498 karypis.srv_TS3-scwrl costs 492.795 real_cost = -49.762 karypis.srv_TS3 costs 488.993 real_cost = -49.257 karypis.srv_TS2-scwrl costs 542.368 real_cost = -75.331 karypis.srv_TS2 costs 529.588 real_cost = -78.135 karypis.srv_TS1-scwrl costs 536.445 real_cost = -76.856 karypis.srv_TS1 costs 523.976 real_cost = -82.105 karypis.srv.4_TS5-scwrl costs 556.511 real_cost = 320.831 karypis.srv.4_TS5 costs 557.582 real_cost = 321.616 karypis.srv.4_TS4-scwrl costs 565.064 real_cost = 348.101 karypis.srv.4_TS4 costs 564.301 real_cost = 348.101 karypis.srv.4_TS3-scwrl costs 562.729 real_cost = 321.850 karypis.srv.4_TS3 costs 562.137 real_cost = 324.246 karypis.srv.4_TS2-scwrl costs 532.193 real_cost = 293.231 karypis.srv.4_TS2 costs 531.119 real_cost = 293.237 karypis.srv.4_TS1-scwrl costs 544.384 real_cost = 326.430 karypis.srv.4_TS1 costs 543.626 real_cost = 326.428 karypis.srv.2_TS5-scwrl costs 375.173 real_cost = -45.408 karypis.srv.2_TS5 costs 373.491 real_cost = -44.395 karypis.srv.2_TS4-scwrl costs 380.007 real_cost = -30.265 karypis.srv.2_TS4 costs 380.007 real_cost = -30.265 karypis.srv.2_TS3-scwrl costs 376.170 real_cost = -21.628 karypis.srv.2_TS3 costs 376.170 real_cost = -21.628 karypis.srv.2_TS2-scwrl costs 373.777 real_cost = -29.083 karypis.srv.2_TS2 costs 373.777 real_cost = -29.083 karypis.srv.2_TS1-scwrl costs 375.419 real_cost = 3.730 karypis.srv.2_TS1 costs 375.419 real_cost = 3.730 forecast-s_AL5-scwrl costs 857.876 real_cost = 138.540 forecast-s_AL5 costs 69025.641 real_cost = 200.306 forecast-s_AL3-scwrl costs 609.118 real_cost = -31.097 forecast-s_AL3 costs 20123.390 real_cost = 61.562 forecast-s_AL2-scwrl costs 562.581 real_cost = -67.182 forecast-s_AL2 costs 18136.479 real_cost = 13.545 forecast-s_AL1-scwrl costs 551.449 real_cost = -62.261 forecast-s_AL1 costs 12358.953 real_cost = 64.645 beautshotbase_TS1-scwrl costs 566.261 real_cost = -52.851 beautshotbase_TS1 costs 552.210 real_cost = -48.331 beautshot_TS1-scwrl costs 505.363 real_cost = -70.140 beautshot_TS1 costs 493.058 real_cost = -62.440 Zhang-Server_TS5-scwrl costs 370.952 real_cost = -89.877 Zhang-Server_TS5 costs 370.911 real_cost = -90.607 Zhang-Server_TS4-scwrl costs 360.125 real_cost = -88.154 Zhang-Server_TS4 costs 359.037 real_cost = -88.241 Zhang-Server_TS3-scwrl costs 375.785 real_cost = -40.285 Zhang-Server_TS3 costs 373.577 real_cost = -40.184 Zhang-Server_TS2-scwrl costs 374.016 real_cost = -82.731 Zhang-Server_TS2 costs 373.070 real_cost = -82.822 Zhang-Server_TS1-scwrl costs 363.909 real_cost = -93.369 Zhang-Server_TS1 costs 364.316 real_cost = -93.305 UNI-EID_sfst_AL5-scwrl costs 584.676 real_cost = -55.448 UNI-EID_sfst_AL5 costs 8480.015 real_cost = 23.336 UNI-EID_sfst_AL4-scwrl costs 544.991 real_cost = -68.884 UNI-EID_sfst_AL4 costs 86442.601 real_cost = 41.176 UNI-EID_sfst_AL3-scwrl costs 567.614 real_cost = -60.603 UNI-EID_sfst_AL3 costs 13826.450 real_cost = 19.260 UNI-EID_sfst_AL2-scwrl costs 555.280 real_cost = -67.724 UNI-EID_sfst_AL2 costs 18603.285 real_cost = 13.979 UNI-EID_sfst_AL1-scwrl costs 552.594 real_cost = -35.775 UNI-EID_sfst_AL1 costs 20195.732 real_cost = 65.313 UNI-EID_expm_TS1-scwrl costs 520.673 real_cost = -22.388 UNI-EID_expm_TS1 costs 6396.900 real_cost = 55.657 UNI-EID_bnmx_TS5-scwrl costs 576.277 real_cost = -56.226 UNI-EID_bnmx_TS5 costs 9892.399 real_cost = 23.164 UNI-EID_bnmx_TS4-scwrl costs 534.600 real_cost = -73.620 UNI-EID_bnmx_TS4 costs 86906.323 real_cost = 30.932 UNI-EID_bnmx_TS3-scwrl costs 559.771 real_cost = -61.761 UNI-EID_bnmx_TS3 costs 13850.560 real_cost = 22.178 UNI-EID_bnmx_TS2-scwrl costs 555.280 real_cost = -67.724 UNI-EID_bnmx_TS2 costs 18603.285 real_cost = 13.979 UNI-EID_bnmx_TS1-scwrl costs 550.988 real_cost = -34.697 UNI-EID_bnmx_TS1 costs 20192.888 real_cost = 66.985 SPARKS2_TS5-scwrl costs 404.819 real_cost = -3.245 SPARKS2_TS5 costs 411.342 real_cost = -6.471 SPARKS2_TS4-scwrl costs 416.487 real_cost = 37.017 SPARKS2_TS4 costs 419.934 real_cost = 36.846 SPARKS2_TS3-scwrl costs 390.242 real_cost = 16.670 SPARKS2_TS3 costs 400.628 real_cost = 17.937 SPARKS2_TS2-scwrl costs 372.215 real_cost = -35.122 SPARKS2_TS2 costs 379.833 real_cost = -29.152 SPARKS2_TS1-scwrl costs 384.837 real_cost = -6.472 SPARKS2_TS1 costs 393.932 real_cost = -5.143 SP4_TS5-scwrl costs 405.267 real_cost = 26.621 SP4_TS5 costs 413.655 real_cost = 31.089 SP4_TS4-scwrl costs 390.242 real_cost = 16.670 SP4_TS4 costs 400.628 real_cost = 17.937 SP4_TS3-scwrl costs 389.722 real_cost = -21.618 SP4_TS3 costs 399.943 real_cost = -13.472 SP4_TS2-scwrl costs 381.606 real_cost = -61.862 SP4_TS2 costs 386.315 real_cost = -57.494 SP4_TS1-scwrl costs 383.616 real_cost = -14.887 SP4_TS1 costs 390.351 real_cost = -10.602 SP3_TS5-scwrl costs 404.189 real_cost = -1.707 SP3_TS5 costs 409.172 real_cost = -6.585 SP3_TS4-scwrl costs 389.722 real_cost = -21.618 SP3_TS4 costs 399.943 real_cost = -13.472 SP3_TS3-scwrl costs 390.242 real_cost = 16.670 SP3_TS3 costs 400.628 real_cost = 17.937 SP3_TS2-scwrl costs 378.900 real_cost = -39.212 SP3_TS2 costs 387.800 real_cost = -33.021 SP3_TS1-scwrl costs 382.133 real_cost = -15.140 SP3_TS1 costs 388.418 real_cost = -14.171 SAM_T06_server_TS5-scwrl costs 855.218 real_cost = 90.167 SAM_T06_server_TS5 costs 736.612 real_cost = 23.742 SAM_T06_server_TS4-scwrl costs 618.072 real_cost = -57.771 SAM_T06_server_TS4 costs 552.723 real_cost = -65.822 SAM_T06_server_TS3-scwrl costs 565.989 real_cost = -51.748 SAM_T06_server_TS3 costs 532.738 real_cost = -71.198 SAM_T06_server_TS2-scwrl costs 568.783 real_cost = -64.102 SAM_T06_server_TS2 costs 543.148 real_cost = -73.220 SAM_T06_server_TS1-scwrl costs 322.575 real_cost = -69.766 SAM_T06_server_TS1 costs 317.549 real_cost = -67.210 SAM-T99_AL5-scwrl costs 592.447 real_cost = -15.504 SAM-T99_AL5 costs 18508.677 real_cost = 73.102 SAM-T99_AL4-scwrl costs 599.774 real_cost = -4.792 SAM-T99_AL4 costs 25037.999 real_cost = 82.611 SAM-T99_AL3-scwrl costs 632.304 real_cost = -68.274 SAM-T99_AL3 costs 20577.360 real_cost = 12.296 SAM-T99_AL2-scwrl costs 593.241 real_cost = -74.003 SAM-T99_AL2 costs 37397.433 real_cost = 15.408 SAM-T99_AL1-scwrl costs 624.222 real_cost = -74.439 SAM-T99_AL1 costs 35643.193 real_cost = 7.449 SAM-T02_AL5-scwrl costs 591.329 real_cost = -45.664 SAM-T02_AL5 costs 9005.409 real_cost = 38.790 SAM-T02_AL4-scwrl costs 636.732 real_cost = -70.576 SAM-T02_AL4 costs 24762.591 real_cost = 1.814 SAM-T02_AL3-scwrl costs 555.280 real_cost = -67.724 SAM-T02_AL3 costs 18603.285 real_cost = 13.979 SAM-T02_AL2-scwrl costs 552.594 real_cost = -35.775 SAM-T02_AL2 costs 20195.732 real_cost = 65.313 SAM-T02_AL1-scwrl costs 602.961 real_cost = -44.873 SAM-T02_AL1 costs 13650.466 real_cost = 27.621 ROKKY_TS5-scwrl costs 376.469 real_cost = -40.440 ROKKY_TS5 costs 384.475 real_cost = -38.021 ROKKY_TS4-scwrl costs 411.446 real_cost = 0.135 ROKKY_TS4 costs 415.319 real_cost = 11.575 ROKKY_TS3-scwrl costs 377.349 real_cost = -59.861 ROKKY_TS3 costs 380.242 real_cost = -60.963 ROKKY_TS2-scwrl costs 366.453 real_cost = -0.273 ROKKY_TS2 costs 374.378 real_cost = 3.022 ROKKY_TS1-scwrl costs 369.492 real_cost = -27.951 ROKKY_TS1 costs 379.993 real_cost = -20.264 ROBETTA_TS5-scwrl costs 366.391 real_cost = 25.466 ROBETTA_TS5 costs 365.419 real_cost = 28.476 ROBETTA_TS4-scwrl costs 374.837 real_cost = -81.482 ROBETTA_TS4 costs 371.798 real_cost = -81.679 ROBETTA_TS3-scwrl costs 366.559 real_cost = -53.592 ROBETTA_TS3 costs 362.107 real_cost = -49.690 ROBETTA_TS2-scwrl costs 363.655 real_cost = -65.424 ROBETTA_TS2 costs 360.127 real_cost = -63.036 ROBETTA_TS1-scwrl costs 361.429 real_cost = -72.770 ROBETTA_TS1 costs 355.816 real_cost = -69.501 RAPTOR_TS5-scwrl costs 359.719 real_cost = -48.469 RAPTOR_TS5 costs 370.471 real_cost = -42.263 RAPTOR_TS4-scwrl costs 357.132 real_cost = -53.958 RAPTOR_TS4 costs 370.743 real_cost = -51.145 RAPTOR_TS3-scwrl costs 374.198 real_cost = -39.421 RAPTOR_TS3 costs 385.543 real_cost = -35.910 RAPTOR_TS2-scwrl costs 374.198 real_cost = -39.421 RAPTOR_TS2 costs 385.543 real_cost = -35.910 RAPTOR_TS1-scwrl costs 359.719 real_cost = -48.469 RAPTOR_TS1 costs 370.471 real_cost = -42.263 RAPTORESS_TS5-scwrl costs 366.652 real_cost = -53.798 RAPTORESS_TS5 costs 370.530 real_cost = -47.082 RAPTORESS_TS4-scwrl costs 361.883 real_cost = -48.408 RAPTORESS_TS4 costs 367.616 real_cost = -49.189 RAPTORESS_TS3-scwrl costs 368.842 real_cost = -43.311 RAPTORESS_TS3 costs 378.694 real_cost = -38.657 RAPTORESS_TS2-scwrl costs 368.842 real_cost = -43.311 RAPTORESS_TS2 costs 378.694 real_cost = -38.657 RAPTORESS_TS1-scwrl costs 366.652 real_cost = -53.798 RAPTORESS_TS1 costs 370.530 real_cost = -47.082 RAPTOR-ACE_TS5-scwrl costs 380.902 real_cost = -28.205 RAPTOR-ACE_TS5 costs 391.907 real_cost = -20.743 RAPTOR-ACE_TS4-scwrl costs 380.612 real_cost = -34.560 RAPTOR-ACE_TS4 costs 384.966 real_cost = -30.556 RAPTOR-ACE_TS3-scwrl costs 377.418 real_cost = -39.705 RAPTOR-ACE_TS3 costs 384.036 real_cost = -32.695 RAPTOR-ACE_TS2-scwrl costs 379.741 real_cost = -35.461 RAPTOR-ACE_TS2 costs 390.484 real_cost = -35.258 RAPTOR-ACE_TS1-scwrl costs 377.418 real_cost = -39.705 RAPTOR-ACE_TS1 costs 384.036 real_cost = -32.695 Pmodeller6_TS5-scwrl costs 535.010 real_cost = -61.059 Pmodeller6_TS5 costs 521.064 real_cost = -62.625 Pmodeller6_TS4-scwrl costs 532.815 real_cost = -48.226 Pmodeller6_TS4 costs 525.978 real_cost = -50.006 Pmodeller6_TS3-scwrl costs 525.200 real_cost = -89.491 Pmodeller6_TS3 costs 512.346 real_cost = -95.440 Pmodeller6_TS2-scwrl costs 479.485 real_cost = -112.970 Pmodeller6_TS2 costs 471.011 real_cost = -111.024 Pmodeller6_TS1-scwrl costs 489.440 real_cost = -94.575 Pmodeller6_TS1 costs 479.279 real_cost = -94.938 Phyre-2_TS5-scwrl costs 350.374 real_cost = -28.324 Phyre-2_TS5 costs 364.243 real_cost = -28.633 Phyre-2_TS4-scwrl costs 375.663 real_cost = -36.280 Phyre-2_TS4 costs 388.634 real_cost = -36.331 Phyre-2_TS3-scwrl costs 369.903 real_cost = -21.208 Phyre-2_TS3 costs 381.724 real_cost = -20.344 Phyre-2_TS2-scwrl costs 357.659 real_cost = -29.813 Phyre-2_TS2 costs 370.259 real_cost = -29.627 Phyre-2_TS1-scwrl costs 345.850 real_cost = -27.027 Phyre-2_TS1 costs 359.739 real_cost = -28.399 Phyre-1_TS1-scwrl costs 536.369 real_cost = -75.932 Phyre-1_TS1 costs 522.987 real_cost = -81.481 Pcons6_TS5-scwrl costs 605.686 real_cost = -51.657 Pcons6_TS5 costs 597.368 real_cost = -52.742 Pcons6_TS4-scwrl costs 526.915 real_cost = -74.014 Pcons6_TS4 costs 509.598 real_cost = -80.064 Pcons6_TS3-scwrl costs 525.200 real_cost = -89.491 Pcons6_TS3 costs 512.346 real_cost = -95.440 Pcons6_TS2-scwrl costs 495.950 real_cost = -91.849 Pcons6_TS2 costs 483.261 real_cost = -95.428 Pcons6_TS1-scwrl costs 552.003 real_cost = -68.921 Pcons6_TS1 costs 537.686 real_cost = -77.926 PROTINFO_TS5-scwrl costs 351.539 real_cost = -83.724 PROTINFO_TS5 costs 351.510 real_cost = -86.882 PROTINFO_TS4-scwrl costs 354.934 real_cost = -37.471 PROTINFO_TS4 costs 361.700 real_cost = -31.980 PROTINFO_TS3-scwrl costs 355.683 real_cost = -29.915 PROTINFO_TS3 costs 364.106 real_cost = -20.315 PROTINFO_TS2-scwrl costs 352.241 real_cost = -49.036 PROTINFO_TS2 costs 359.051 real_cost = -40.275 PROTINFO_TS1-scwrl costs 360.659 real_cost = -72.914 PROTINFO_TS1 costs 365.738 real_cost = -68.266 PROTINFO-AB_TS5-scwrl costs 371.436 real_cost = -32.508 PROTINFO-AB_TS5 costs 377.627 real_cost = -23.544 PROTINFO-AB_TS4-scwrl costs 368.288 real_cost = -56.372 PROTINFO-AB_TS4 costs 376.131 real_cost = -50.683 PROTINFO-AB_TS3-scwrl costs 371.244 real_cost = -30.130 PROTINFO-AB_TS3 costs 379.630 real_cost = -21.397 PROTINFO-AB_TS2-scwrl costs 370.632 real_cost = -26.407 PROTINFO-AB_TS2 costs 377.472 real_cost = -26.847 PROTINFO-AB_TS1-scwrl costs 371.233 real_cost = -42.090 PROTINFO-AB_TS1 costs 376.198 real_cost = -32.851 POMYSL_TS5-scwrl costs 537.928 real_cost = 346.742 POMYSL_TS5 costs 545.469 real_cost = 346.694 POMYSL_TS4-scwrl costs 530.475 real_cost = 317.540 POMYSL_TS4 costs 532.668 real_cost = 329.300 POMYSL_TS3-scwrl costs 537.631 real_cost = 305.906 POMYSL_TS3 costs 542.914 real_cost = 315.472 POMYSL_TS2-scwrl costs 587.457 real_cost = 340.716 POMYSL_TS2 costs 583.003 real_cost = 333.296 POMYSL_TS1-scwrl costs 651.845 real_cost = 312.633 POMYSL_TS1 costs 648.613 real_cost = 317.594 NN_PUT_lab_TS1-scwrl costs 558.333 real_cost = -47.240 NN_PUT_lab_TS1 costs 546.352 real_cost = -37.460 MetaTasser_TS5-scwrl costs 432.249 real_cost = -42.922 MetaTasser_TS5 costs 456.863 real_cost = -35.335 MetaTasser_TS4-scwrl costs 443.935 real_cost = -51.962 MetaTasser_TS4 costs 472.161 real_cost = -48.528 MetaTasser_TS3-scwrl costs 434.773 real_cost = -39.012 MetaTasser_TS3 costs 463.516 real_cost = -32.736 MetaTasser_TS2-scwrl costs 428.673 real_cost = -36.921 MetaTasser_TS2 costs 457.606 real_cost = -24.113 MetaTasser_TS1-scwrl costs 467.976 real_cost = -22.359 MetaTasser_TS1 costs 496.679 real_cost = -9.913 Ma-OPUS-server_TS5-scwrl costs 382.150 real_cost = -50.143 Ma-OPUS-server_TS5 costs 389.278 real_cost = -47.259 Ma-OPUS-server_TS4-scwrl costs 368.893 real_cost = -26.194 Ma-OPUS-server_TS4 costs 380.246 real_cost = -23.153 Ma-OPUS-server_TS3-scwrl costs 374.006 real_cost = -49.552 Ma-OPUS-server_TS3 costs 386.591 real_cost = -36.372 Ma-OPUS-server_TS2-scwrl costs 373.805 real_cost = -2.900 Ma-OPUS-server_TS2 costs 387.623 real_cost = 1.393 Ma-OPUS-server_TS1-scwrl costs 381.428 real_cost = 8.897 Ma-OPUS-server_TS1 costs 390.764 real_cost = 13.427 Ma-OPUS-server2_TS5-scwrl costs 377.330 real_cost = -59.922 Ma-OPUS-server2_TS5 costs 379.415 real_cost = -53.070 Ma-OPUS-server2_TS4-scwrl costs 368.893 real_cost = -26.194 Ma-OPUS-server2_TS4 costs 380.246 real_cost = -23.153 Ma-OPUS-server2_TS3-scwrl costs 374.006 real_cost = -49.552 Ma-OPUS-server2_TS3 costs 386.591 real_cost = -36.372 Ma-OPUS-server2_TS2-scwrl costs 381.428 real_cost = 8.897 Ma-OPUS-server2_TS2 costs 390.764 real_cost = 13.427 Ma-OPUS-server2_TS1-scwrl costs 386.414 real_cost = 9.606 Ma-OPUS-server2_TS1 costs 390.966 real_cost = 15.178 MIG_FROST_AL1-scwrl costs 643.771 real_cost = 195.493 MIG_FROST_AL1 costs 19999.357 real_cost = 265.594 LOOPP_TS5-scwrl costs 568.187 real_cost = 42.664 LOOPP_TS5 costs 558.010 real_cost = 44.765 LOOPP_TS4-scwrl costs 585.433 real_cost = -35.248 LOOPP_TS4 costs 577.145 real_cost = -28.251 LOOPP_TS3-scwrl costs 513.908 real_cost = -4.388 LOOPP_TS3 costs 498.974 real_cost = 5.631 LOOPP_TS2-scwrl costs 581.115 real_cost = 38.472 LOOPP_TS2 costs 565.266 real_cost = 38.478 LOOPP_TS1-scwrl costs 558.333 real_cost = -47.240 LOOPP_TS1 costs 546.352 real_cost = -37.460 Huber-Torda-Server_TS5-scwrl costs 667.490 real_cost = 220.643 Huber-Torda-Server_TS5 costs 4740.787 real_cost = 292.730 Huber-Torda-Server_TS4-scwrl costs 781.879 real_cost = 360.995 Huber-Torda-Server_TS4 costs 36701.417 real_cost = 398.873 Huber-Torda-Server_TS3-scwrl costs 622.116 real_cost = 29.258 Huber-Torda-Server_TS3 costs 7502.869 real_cost = 88.427 Huber-Torda-Server_TS2-scwrl costs 686.256 real_cost = 239.954 Huber-Torda-Server_TS2 costs 3497.893 real_cost = 305.844 Huber-Torda-Server_TS1-scwrl costs 595.187 real_cost = 84.613 Huber-Torda-Server_TS1 costs 4906.725 real_cost = 161.967 HHpred3_TS1-scwrl costs 363.201 real_cost = -52.920 HHpred3_TS1 costs 371.667 real_cost = -43.079 HHpred2_TS1-scwrl costs 363.201 real_cost = -52.920 HHpred2_TS1 costs 371.667 real_cost = -43.079 HHpred1_TS1-scwrl costs 373.044 real_cost = -25.943 HHpred1_TS1 costs 381.483 real_cost = -18.803 GeneSilicoMetaServer_TS5-scwrl costs 489.677 real_cost = -44.031 GeneSilicoMetaServer_TS5 costs 494.403 real_cost = -41.846 GeneSilicoMetaServer_TS4-scwrl costs 568.641 real_cost = -34.405 GeneSilicoMetaServer_TS4 costs 569.662 real_cost = -25.592 GeneSilicoMetaServer_TS3-scwrl costs 380.759 real_cost = 39.174 GeneSilicoMetaServer_TS3 costs 393.871 real_cost = 43.626 GeneSilicoMetaServer_TS2-scwrl costs 508.188 real_cost = -45.047 GeneSilicoMetaServer_TS2 costs 508.360 real_cost = -34.158 GeneSilicoMetaServer_TS1-scwrl costs 513.983 real_cost = -72.789 GeneSilicoMetaServer_TS1 costs 515.666 real_cost = -73.348 Frankenstein_TS5-scwrl costs 460.322 real_cost = 211.349 Frankenstein_TS5 costs 451.391 real_cost = 216.581 Frankenstein_TS4-scwrl costs 400.983 real_cost = 95.994 Frankenstein_TS4 costs 403.765 real_cost = 101.196 Frankenstein_TS3-scwrl costs 395.064 real_cost = 95.086 Frankenstein_TS3 costs 397.568 real_cost = 100.129 Frankenstein_TS2-scwrl costs 390.897 real_cost = 18.674 Frankenstein_TS2 costs 401.451 real_cost = 22.265 Frankenstein_TS1-scwrl costs 372.563 real_cost = 74.814 Frankenstein_TS1 costs 383.565 real_cost = 79.278 FUNCTION_TS5-scwrl costs 420.076 real_cost = -6.762 FUNCTION_TS5 costs 424.213 real_cost = -4.535 FUNCTION_TS4-scwrl costs 403.101 real_cost = -25.419 FUNCTION_TS4 costs 408.376 real_cost = -22.972 FUNCTION_TS3-scwrl costs 405.887 real_cost = -45.762 FUNCTION_TS3 costs 409.080 real_cost = -46.346 FUNCTION_TS2-scwrl costs 416.440 real_cost = -11.821 FUNCTION_TS2 costs 419.999 real_cost = -1.950 FUNCTION_TS1-scwrl costs 401.604 real_cost = 12.815 FUNCTION_TS1 costs 410.736 real_cost = 23.218 FUGUE_AL4-scwrl costs 458.847 real_cost = 111.360 FUGUE_AL4 costs 34650.767 real_cost = 225.872 FUGUE_AL3-scwrl costs 557.731 real_cost = 23.498 FUGUE_AL3 costs 35333.869 real_cost = 126.882 FUGUE_AL2-scwrl costs 573.413 real_cost = -37.814 FUGUE_AL2 costs 20031.403 real_cost = 57.939 FUGUE_AL1-scwrl costs 587.307 real_cost = -18.066 FUGUE_AL1 costs 31854.597 real_cost = 67.877 FUGMOD_TS5-scwrl costs 481.847 real_cost = -28.222 FUGMOD_TS5 costs 481.812 real_cost = -30.152 FUGMOD_TS4-scwrl costs 398.876 real_cost = 104.301 FUGMOD_TS4 costs 409.952 real_cost = 102.896 FUGMOD_TS3-scwrl costs 433.790 real_cost = 26.511 FUGMOD_TS3 costs 430.187 real_cost = 31.869 FUGMOD_TS2-scwrl costs 539.882 real_cost = -40.929 FUGMOD_TS2 costs 536.702 real_cost = -36.046 FUGMOD_TS1-scwrl costs 537.373 real_cost = -38.693 FUGMOD_TS1 costs 533.360 real_cost = -43.094 FPSOLVER-SERVER_TS5-scwrl costs 486.833 real_cost = 290.261 FPSOLVER-SERVER_TS5 costs 486.313 real_cost = 300.782 FPSOLVER-SERVER_TS4-scwrl costs 510.677 real_cost = 327.426 FPSOLVER-SERVER_TS4 costs 511.461 real_cost = 336.667 FPSOLVER-SERVER_TS3-scwrl costs 494.615 real_cost = 332.750 FPSOLVER-SERVER_TS3 costs 496.709 real_cost = 333.437 FPSOLVER-SERVER_TS2-scwrl costs 508.256 real_cost = 360.510 FPSOLVER-SERVER_TS2 costs 509.105 real_cost = 360.960 FPSOLVER-SERVER_TS1-scwrl costs 498.532 real_cost = 357.753 FPSOLVER-SERVER_TS1 costs 500.863 real_cost = 358.049 FORTE2_AL5-scwrl costs 554.008 real_cost = -68.878 FORTE2_AL5 costs 19630.231 real_cost = 11.972 FORTE2_AL4-scwrl costs 444.902 real_cost = -3.793 FORTE2_AL4 costs 35707.858 real_cost = 103.948 FORTE2_AL3-scwrl costs 545.491 real_cost = -48.970 FORTE2_AL3 costs 31937.581 real_cost = 43.955 FORTE2_AL2-scwrl costs 543.423 real_cost = -32.277 FORTE2_AL2 costs 19465.722 real_cost = 67.207 FORTE2_AL1-scwrl costs 521.852 real_cost = -66.527 FORTE2_AL1 costs 78456.995 real_cost = 34.032 FORTE1_AL5-scwrl costs 444.902 real_cost = -3.793 FORTE1_AL5 costs 35707.858 real_cost = 103.948 FORTE1_AL4-scwrl costs 545.491 real_cost = -48.970 FORTE1_AL4 costs 31937.581 real_cost = 43.955 FORTE1_AL3-scwrl costs 554.008 real_cost = -68.878 FORTE1_AL3 costs 19630.231 real_cost = 11.972 FORTE1_AL2-scwrl costs 543.423 real_cost = -32.277 FORTE1_AL2 costs 19465.722 real_cost = 67.207 FORTE1_AL1-scwrl costs 521.852 real_cost = -66.527 FORTE1_AL1 costs 78456.995 real_cost = 34.032 FOLDpro_TS5-scwrl costs 373.463 real_cost = -23.912 FOLDpro_TS5 costs 385.580 real_cost = -18.823 FOLDpro_TS4-scwrl costs 379.615 real_cost = -35.360 FOLDpro_TS4 costs 384.659 real_cost = -25.807 FOLDpro_TS3-scwrl costs 376.447 real_cost = -1.226 FOLDpro_TS3 costs 392.016 real_cost = 5.135 FOLDpro_TS2-scwrl costs 362.105 real_cost = -42.551 FOLDpro_TS2 costs 375.630 real_cost = -40.637 FOLDpro_TS1-scwrl costs 356.770 real_cost = -33.776 FOLDpro_TS1 costs 369.680 real_cost = -27.531 FAMS_TS5-scwrl costs 420.076 real_cost = -6.762 FAMS_TS5 costs 424.213 real_cost = -4.535 FAMS_TS4-scwrl costs 529.574 real_cost = -41.727 FAMS_TS4 costs 519.349 real_cost = -38.722 FAMS_TS3-scwrl costs 539.253 real_cost = -74.554 FAMS_TS3 costs 526.093 real_cost = -73.189 FAMS_TS2-scwrl costs 399.591 real_cost = -21.832 FAMS_TS2 costs 405.604 real_cost = -16.273 FAMS_TS1-scwrl costs 451.302 real_cost = 7.464 FAMS_TS1 costs 440.692 real_cost = 7.392 FAMSD_TS5-scwrl costs 554.931 real_cost = -56.400 FAMSD_TS5 costs 543.011 real_cost = -48.298 FAMSD_TS4-scwrl costs 538.534 real_cost = -19.683 FAMSD_TS4 costs 525.821 real_cost = -20.399 FAMSD_TS3-scwrl costs 529.574 real_cost = -41.727 FAMSD_TS3 costs 519.349 real_cost = -38.722 FAMSD_TS2-scwrl costs 540.721 real_cost = -74.518 FAMSD_TS2 costs 525.549 real_cost = -67.257 FAMSD_TS1-scwrl costs 380.266 real_cost = -34.186 FAMSD_TS1 costs 388.652 real_cost = -25.761 Distill_TS5-scwrl costs 2425.379 real_cost = 380.277 Distill_TS4-scwrl costs 2426.795 real_cost = 376.686 Distill_TS3-scwrl costs 2421.351 real_cost = 379.121 Distill_TS2-scwrl costs 2423.847 real_cost = 372.538 Distill_TS1-scwrl costs 2427.161 real_cost = 373.339 CaspIta-FOX_TS5-scwrl costs 528.105 real_cost = -77.792 CaspIta-FOX_TS5 costs 522.618 real_cost = -74.480 CaspIta-FOX_TS4-scwrl costs 579.391 real_cost = -28.006 CaspIta-FOX_TS4 costs 555.214 real_cost = -29.577 CaspIta-FOX_TS3-scwrl costs 596.042 real_cost = -39.978 CaspIta-FOX_TS3 costs 585.564 real_cost = -35.429 CaspIta-FOX_TS2-scwrl costs 511.966 real_cost = -12.443 CaspIta-FOX_TS2 costs 501.462 real_cost = -15.666 CaspIta-FOX_TS1-scwrl costs 528.860 real_cost = 48.505 CaspIta-FOX_TS1 costs 516.403 real_cost = 46.209 CIRCLE_TS5-scwrl costs 513.718 real_cost = -75.147 CIRCLE_TS5 costs 501.775 real_cost = -78.901 CIRCLE_TS4-scwrl costs 397.946 real_cost = -19.049 CIRCLE_TS4 costs 408.810 real_cost = -22.897 CIRCLE_TS3-scwrl costs 540.549 real_cost = -60.343 CIRCLE_TS3 costs 532.152 real_cost = -59.663 CIRCLE_TS2-scwrl costs 539.253 real_cost = -74.554 CIRCLE_TS2 costs 526.093 real_cost = -73.189 CIRCLE_TS1-scwrl costs 399.591 real_cost = -21.832 CIRCLE_TS1 costs 405.604 real_cost = -16.273 Bilab-ENABLE_TS1-scwrl costs 403.161 real_cost = 77.744 Bilab-ENABLE_TS1 costs 403.161 real_cost = 77.744 BayesHH_TS1-scwrl costs 366.026 real_cost = -100.705 BayesHH_TS1 costs 379.715 real_cost = -97.445 ABIpro_TS5-scwrl costs 592.974 real_cost = 248.310 ABIpro_TS5 costs 593.054 real_cost = 246.624 ABIpro_TS4-scwrl costs 607.699 real_cost = 276.672 ABIpro_TS4 costs 607.915 real_cost = 276.880 ABIpro_TS3-scwrl costs 634.942 real_cost = 264.293 ABIpro_TS3 costs 634.942 real_cost = 264.293 ABIpro_TS2-scwrl costs 538.985 real_cost = 279.505 ABIpro_TS2 costs 538.985 real_cost = 279.505 ABIpro_TS1-scwrl costs 545.905 real_cost = 250.059 ABIpro_TS1 costs 545.905 real_cost = 250.059 3Dpro_TS5-scwrl costs 386.785 real_cost = 47.439 3Dpro_TS5 costs 394.993 real_cost = 45.521 3Dpro_TS4-scwrl costs 386.592 real_cost = 40.662 3Dpro_TS4 costs 389.196 real_cost = 39.673 3Dpro_TS3-scwrl costs 387.967 real_cost = -10.904 3Dpro_TS3 costs 397.007 real_cost = -4.682 3Dpro_TS2-scwrl costs 396.065 real_cost = -80.503 3Dpro_TS2 costs 390.739 real_cost = -73.305 3Dpro_TS1-scwrl costs 358.548 real_cost = -93.679 3Dpro_TS1 costs 365.470 real_cost = -91.987 3D-JIGSAW_TS4-scwrl costs 589.253 real_cost = -16.382 3D-JIGSAW_TS4 costs 571.836 real_cost = -2.224 3D-JIGSAW_TS3-scwrl costs 634.183 real_cost = -3.751 3D-JIGSAW_TS3 costs 613.668 real_cost = -0.705 3D-JIGSAW_TS2-scwrl costs 615.670 real_cost = 31.985 3D-JIGSAW_TS2 costs 603.657 real_cost = 39.552 3D-JIGSAW_TS1-scwrl costs 573.635 real_cost = -29.401 3D-JIGSAW_TS1 costs 561.467 real_cost = -23.794 3D-JIGSAW_RECOM_TS5-scwrl costs 611.638 real_cost = -29.852 3D-JIGSAW_RECOM_TS5 costs 593.165 real_cost = -15.455 3D-JIGSAW_RECOM_TS4-scwrl costs 628.312 real_cost = -24.464 3D-JIGSAW_RECOM_TS4 costs 604.633 real_cost = -30.188 3D-JIGSAW_RECOM_TS3-scwrl costs 579.071 real_cost = -32.865 3D-JIGSAW_RECOM_TS3 costs 557.673 real_cost = -33.643 3D-JIGSAW_RECOM_TS2-scwrl costs 612.315 real_cost = -22.354 3D-JIGSAW_RECOM_TS2 costs 588.415 real_cost = -30.085 3D-JIGSAW_RECOM_TS1-scwrl costs 607.272 real_cost = -27.398 3D-JIGSAW_RECOM_TS1 costs 581.408 real_cost = -29.615 3D-JIGSAW_POPULUS_TS5-scwrl costs 574.151 real_cost = 41.748 3D-JIGSAW_POPULUS_TS5 costs 559.770 real_cost = 40.806 3D-JIGSAW_POPULUS_TS4-scwrl costs 553.329 real_cost = -20.224 3D-JIGSAW_POPULUS_TS4 costs 539.339 real_cost = -24.137 3D-JIGSAW_POPULUS_TS3-scwrl costs 552.274 real_cost = -19.641 3D-JIGSAW_POPULUS_TS3 costs 537.077 real_cost = -25.593 3D-JIGSAW_POPULUS_TS2-scwrl costs 522.559 real_cost = -1.311 3D-JIGSAW_POPULUS_TS2 costs 505.009 real_cost = -3.851 3D-JIGSAW_POPULUS_TS1-scwrl costs 519.365 real_cost = -20.566 3D-JIGSAW_POPULUS_TS1 costs 501.549 real_cost = -22.412 dimer//dimer-1s5uA-from-try6-opt2 costs 310.350 real_cost = -35.007 dimer//dimer-1s5uA-from-try5-opt2 costs 316.004 real_cost = -59.724 dimer//try9-opt2.unpack costs 317.496 real_cost = -52.155 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 328.163 real_cost = -53.747 dimer//try9-opt2.unpack.gromacs0 costs 326.380 real_cost = -51.059 dimer//try9-opt2.repack-nonPC costs 320.963 real_cost = -53.095 dimer//try9-opt2 costs 317.496 real_cost = -52.155 dimer//try9-opt1 costs 316.848 real_cost = -51.709 dimer//try9-opt1-scwrl costs 321.541 real_cost = -54.291 dimer//try8-opt2.unpack costs 341.410 real_cost = 2.526 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 355.548 real_cost = 4.474 dimer//try8-opt2.unpack.gromacs0 costs 352.866 real_cost = 6.826 dimer//try8-opt2.repack-nonPC costs 344.939 real_cost = 2.190 dimer//try8-opt2 costs 341.410 real_cost = 2.526 dimer//try8-opt1 costs 342.870 real_cost = 2.278 dimer//try8-opt1-scwrl costs 344.637 real_cost = -0.868 dimer//try7-opt2.unpack costs 316.113 real_cost = -50.718 dimer//try7-opt2.unpack.gromacs0 costs 324.741 real_cost = -49.372 dimer//try7-opt2 costs 316.113 real_cost = -50.718 dimer//try7-opt1 costs 316.585 real_cost = -50.580 dimer//try7-opt1-scwrl costs 322.406 real_cost = -52.404 dimer//try6-opt2.unpack costs 341.851 real_cost = 3.625 dimer//try6-opt2.unpack.gromacs0 costs 351.035 real_cost = 6.449 dimer//try6-opt2 costs 341.851 real_cost = 3.625 dimer//try6-opt1 costs 343.195 real_cost = 2.069 dimer//try6-opt1-scwrl costs 347.997 real_cost = -1.509 dimer//try5-opt2.unpack costs 314.445 real_cost = -52.580 dimer//try5-opt2.unpack.gromacs0 costs 323.048 real_cost = -49.902 dimer//try5-opt2 costs 314.445 real_cost = -52.580 dimer//try5-opt1 costs 314.937 real_cost = -50.807 dimer//try5-opt1-scwrl costs 321.590 real_cost = -52.203 dimer//try4-opt2.unpack costs 317.475 real_cost = -67.100 dimer//try4-opt2.unpack.gromacs0 costs 326.327 real_cost = -64.831 dimer//try4-opt2 costs 317.475 real_cost = -67.100 dimer//try4-opt1 costs 318.300 real_cost = -67.451 dimer//try4-opt1-scwrl costs 326.304 real_cost = -69.036 dimer//try3-opt2.unpack costs 503.714 real_cost = 339.913 dimer//try2-opt2.unpack.gromacs0 costs 505.520 real_cost = 341.049 dimer//try2-opt2 costs 522.776 real_cost = 353.022 dimer//try2-opt1 costs 536.293 real_cost = 351.882 dimer//try2-opt1-scwrl costs 538.408 real_cost = 350.328 dimer//try15-opt2.unpack costs 319.947 real_cost = -55.948 dimer//try15-opt2.unpack.gromacs0.repack-nonPC costs 327.984 real_cost = -52.252 dimer//try15-opt2.unpack.gromacs0 costs 326.811 real_cost = -53.151 dimer//try15-opt2.repack-nonPC costs 322.384 real_cost = -56.047 dimer//try15-opt2 costs 319.947 real_cost = -55.948 dimer//try15-opt1 costs 321.389 real_cost = -56.902 dimer//try15-opt1-scwrl costs 323.978 real_cost = -55.115 dimer//try14-opt2.unpack costs 320.367 real_cost = -54.183 dimer//try14-opt2.unpack.gromacs0.repack-nonPC costs 325.530 real_cost = -52.180 dimer//try14-opt2.unpack.gromacs0 costs 325.097 real_cost = -54.661 dimer//try14-opt2.repack-nonPC costs 321.445 real_cost = -51.362 dimer//try14-opt2 costs 320.367 real_cost = -54.183 dimer//try14-opt1 costs 321.946 real_cost = -54.134 dimer//try14-opt1-scwrl costs 323.606 real_cost = -54.255 dimer//try13-opt2.unpack costs 316.162 real_cost = -67.406 dimer//try13-opt2.unpack.gromacs0.repack-nonPC costs 327.933 real_cost = -66.598 dimer//try13-opt2.unpack.gromacs0 costs 325.808 real_cost = -65.719 dimer//try13-opt2.repack-nonPC costs 321.867 real_cost = -69.464 dimer//try13-opt2 costs 316.162 real_cost = -67.406 dimer//try13-opt1 costs 316.961 real_cost = -66.881 dimer//try13-opt1-scwrl costs 324.287 real_cost = -69.863 dimer//try12-opt2.unpack costs 313.508 real_cost = -50.946 dimer//try12-opt2.unpack.gromacs0.repack-nonPC costs 325.619 real_cost = -56.009 dimer//try12-opt2.unpack.gromacs0 costs 322.916 real_cost = -51.562 dimer//try12-opt2.repack-nonPC costs 319.857 real_cost = -53.169 dimer//try12-opt2 costs 313.508 real_cost = -50.946 dimer//try12-opt1 costs 313.926 real_cost = -51.040 dimer//try12-opt1-scwrl costs 320.054 real_cost = -51.656 dimer//try11-opt2.unpack costs 340.656 real_cost = -2.473 dimer//try11-opt2.unpack.gromacs0.repack-nonPC costs 351.390 real_cost = -6.287 dimer//try11-opt2.unpack.gromacs0 costs 349.339 real_cost = -2.996 dimer//try11-opt2.repack-nonPC costs 345.083 real_cost = -6.333 dimer//try11-opt2 costs 340.656 real_cost = -2.473 dimer//try11-opt1 costs 340.914 real_cost = -2.744 dimer//try11-opt1-scwrl costs 347.245 real_cost = -7.567 dimer//try10-opt2.unpack costs 314.797 real_cost = -51.012 dimer//try10-opt2.unpack.gromacs0.repack-nonPC costs 324.949 real_cost = -54.725 dimer//try10-opt2.unpack.gromacs0 costs 322.335 real_cost = -50.672 dimer//try10-opt2.repack-nonPC costs 319.394 real_cost = -51.559 dimer//try10-opt2 costs 314.797 real_cost = -51.012 dimer//try10-opt1 costs 315.314 real_cost = -51.576 dimer//try10-opt1-scwrl costs 319.796 real_cost = -53.109 dimer//try1-opt2.unpack costs 498.889 real_cost = 359.701 dimer//try1-opt2.unpack.gromacs0.repack-nonPC costs 518.790 real_cost = 353.730 dimer//try1-opt2.unpack.gromacs0 costs 518.890 real_cost = 353.874 dimer//try1-opt2.repack-nonPC costs 500.986 real_cost = 359.761 dimer//try1-opt2 costs 498.889 real_cost = 359.701 dimer//try1-opt1 costs 518.326 real_cost = 355.455 dimer//try1-opt1-scwrl costs 520.162 real_cost = 355.490 T0364.try7-opt2.repack-nonPC.pdb.gz costs 323.066 real_cost = -42.645 T0364.try7-opt2.pdb.gz costs 319.806 real_cost = -44.432 T0364.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 330.143 real_cost = -46.971 T0364.try7-opt2.gromacs0.pdb.gz costs 327.002 real_cost = -45.916 T0364.try7-opt1.pdb.gz costs 328.718 real_cost = -47.032 T0364.try7-opt1-scwrl.pdb.gz costs 331.188 real_cost = -46.354 T0364.try6-opt2.repack-nonPC.pdb.gz costs 315.036 real_cost = -38.221 T0364.try6-opt2.pdb.gz costs 310.376 real_cost = -34.930 T0364.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 320.967 real_cost = -33.753 T0364.try6-opt2.gromacs0.pdb.gz costs 318.573 real_cost = -32.040 T0364.try6-opt1.pdb.gz costs 312.182 real_cost = -33.090 T0364.try6-opt1-scwrl.pdb.gz costs 316.746 real_cost = -35.271 T0364.try5-opt2.repack-nonPC.pdb.gz costs 320.869 real_cost = -61.997 T0364.try5-opt2.pdb.gz costs 316.051 real_cost = -59.722 T0364.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 326.868 real_cost = -62.592 T0364.try5-opt2.gromacs0.pdb.gz costs 324.633 real_cost = -58.560 T0364.try5-opt1.pdb.gz costs 317.970 real_cost = -60.394 T0364.try5-opt1-scwrl.pdb.gz costs 323.624 real_cost = -65.104 T0364.try4-opt2.repack-nonPC.pdb.gz costs 315.259 real_cost = -37.382 T0364.try4-opt2.pdb.gz costs 311.515 real_cost = -33.570 T0364.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 323.964 real_cost = -34.535 T0364.try4-opt2.gromacs0.pdb.gz costs 321.494 real_cost = -31.547 T0364.try4-opt1.pdb.gz costs 319.187 real_cost = -34.345 T0364.try4-opt1-scwrl.pdb.gz costs 321.805 real_cost = -37.249 T0364.try3-opt2.repack-nonPC.pdb.gz costs 317.943 real_cost = -38.090 T0364.try3-opt2.pdb.gz costs 313.952 real_cost = -34.280 T0364.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 324.925 real_cost = -39.151 T0364.try3-opt2.gromacs0.pdb.gz costs 321.549 real_cost = -35.173 T0364.try3-opt1.pdb.gz costs 320.542 real_cost = -38.722 T0364.try3-opt1-scwrl.pdb.gz costs 323.910 real_cost = -41.440 T0364.try2-opt2.repack-nonPC.pdb.gz costs 322.655 real_cost = -62.356 T0364.try2-opt2.pdb.gz costs 319.107 real_cost = -59.096 T0364.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 332.431 real_cost = -64.657 T0364.try2-opt2.gromacs0.pdb.gz costs 330.007 real_cost = -58.834 T0364.try2-opt1.pdb.gz costs 325.615 real_cost = -63.136 T0364.try2-opt1-scwrl.pdb.gz costs 329.733 real_cost = -66.434 T0364.try1-opt2.repack-nonPC.pdb.gz costs 319.693 real_cost = -81.524 T0364.try1-opt2.pdb.gz costs 315.473 real_cost = -79.349 T0364.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 327.209 real_cost = -79.018 T0364.try1-opt2.gromacs0.pdb.gz costs 323.686 real_cost = -76.162 T0364.try1-opt1.pdb.gz costs 324.797 real_cost = -82.002 T0364.try1-opt1-scwrl.pdb.gz costs 328.207 real_cost = -80.279 ../model5.ts-submitted costs 319.843 real_cost = -44.400 ../model4.ts-submitted costs 310.474 real_cost = -36.290 ../model3.ts-submitted costs 317.461 real_cost = -67.084 ../model2.ts-submitted costs 325.522 real_cost = -52.031 ../model1.ts-submitted costs 313.512 real_cost = -50.993 align5 costs 808.396 real_cost = -23.971 align4 costs 787.802 real_cost = -51.918 align3 costs 724.862 real_cost = -75.472 align2 costs 578.973 real_cost = -72.945 align1 costs 564.289 real_cost = -75.391 T0364.try1-opt2.pdb costs 315.473 real_cost = -79.347 model5-scwrl costs 324.204 real_cost = -45.663 model5.ts-submitted costs 319.843 real_cost = -44.400 model4-scwrl costs 315.387 real_cost = -39.701 model4.ts-submitted costs 310.474 real_cost = -36.290 model3-scwrl costs 323.037 real_cost = -67.995 model3.ts-submitted costs 317.461 real_cost = -67.084 model2-scwrl costs 326.442 real_cost = -54.618 model2.ts-submitted costs 325.522 real_cost = -52.031 model1-scwrl costs 318.747 real_cost = -50.283 model1.ts-submitted costs 313.512 real_cost = -50.993 2hljA costs 467.809 real_cost = -889.800 # command:CPU_time= 695.899 sec, elapsed time= 1910.822 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/T0364'