make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0346' 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/T0346.} ;\ 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/T0346/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2he9A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174684232 # 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= 6.09707 sec, elapsed time= 13.4473 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= 6.17606 sec, elapsed time= 13.6259 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0346 numbered 1 through 172 Created new target T0346 from T0346.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# Found a chain break before 163 # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file predburial.costfcn # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-near-backbone-2spot.hist # created burial cost function nb11 with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 5 alphabets from two-spot-burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_nb11_2k # created predicted BurialPredCostFcn pred_nb11_2k_simple # created predicted BurialPredCostFcn pred_nb11_04 # created predicted BurialPredCostFcn pred_nb11_04_simple # created predicted BurialPredCostFcn pred_nb11_06 # created predicted BurialPredCostFcn pred_nb11_06_simple # reading predictions from T0346.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 T0346.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 T0346.t06.alpha.rdb # created predicted alpha cost function pred_alpha06 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-monomeric-50pc-CB14.hist # created burial cost function cb14 with radius 14 with spots at CB counting only CB # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 28 alphabets from burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_cb14_2k # created predicted BurialPredCostFcn pred_cb14_2k_simple # created predicted BurialPredCostFcn pred_cb14_04 # created predicted BurialPredCostFcn pred_cb14_04_simple # created predicted BurialPredCostFcn pred_cb14_06 # created predicted BurialPredCostFcn pred_cb14_06_simple Unrecognized cost function c_beta for SetCost Unrecognized cost function 5 for SetCost # SetCost created cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 5 * nb11(9.65) + 5 * pred_nb11_2k_simple(9.65) + 5 * pred_nb11_2k(9.65) + 5 * pred_nb11_04_simple(9.65) + 5 * pred_nb11_04(9.65) + 5 * pred_nb11_06_simple(9.65) + 5 * pred_nb11_06(9.65) + 5 * cb14(14) + 5 * pred_cb14_2k_simple(14) + 5 * pred_cb14_2k(14) + 5 * pred_cb14_04_simple(14) + 5 * pred_cb14_04(14) + 5 * pred_cb14_06_simple(14) + 5 * pred_cb14_06(14) + 2 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms ) # command:CPU_time= 11.4213 sec, elapsed time= 25.5195 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 167 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -98.4012 # GDT_score(maxd=8,maxw=2.9)= -99.5457 # GDT_score(maxd=8,maxw=3.2)= -98.9674 # GDT_score(maxd=8,maxw=3.5)= -98.0425 # GDT_score(maxd=10,maxw=3.8)= -98.2816 # GDT_score(maxd=10,maxw=4)= -97.52 # GDT_score(maxd=10,maxw=4.2)= -96.6459 # GDT_score(maxd=12,maxw=4.3)= -97.5231 # GDT_score(maxd=12,maxw=4.5)= -96.6769 # GDT_score(maxd=12,maxw=4.7)= -95.6923 # GDT_score(maxd=14,maxw=5.2)= -94.3728 # GDT_score(maxd=14,maxw=5.5)= -92.4919 # 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 SER A 1 39.338 3.993 25.038 1.00 0.00 ATOM 2 CA SER A 1 38.237 4.887 25.409 1.00 0.00 ATOM 3 CB SER A 1 37.097 4.750 24.419 1.00 0.00 ATOM 4 OG SER A 1 36.510 3.478 24.464 1.00 0.00 ATOM 5 O SER A 1 37.071 5.715 27.211 1.00 0.00 ATOM 6 C SER A 1 37.636 4.721 26.810 1.00 0.00 ATOM 7 N PRO A 2 37.805 3.594 27.537 1.00 0.00 ATOM 8 CA PRO A 2 37.266 3.422 28.900 1.00 0.00 ATOM 9 CB PRO A 2 37.517 1.965 29.255 1.00 0.00 ATOM 10 CG PRO A 2 38.760 1.600 28.450 1.00 0.00 ATOM 11 CD PRO A 2 38.499 2.349 27.154 1.00 0.00 ATOM 12 O PRO A 2 39.017 4.851 29.695 1.00 0.00 ATOM 13 C PRO A 2 37.896 4.385 29.909 1.00 0.00 ATOM 14 N GLN A 3 37.094 4.733 30.911 1.00 0.00 ATOM 15 CA GLN A 3 37.502 5.699 31.949 1.00 0.00 ATOM 16 CB GLN A 3 36.716 7.005 31.803 1.00 0.00 ATOM 17 CG GLN A 3 37.095 8.075 32.813 1.00 0.00 ATOM 18 CD GLN A 3 36.351 9.376 32.585 1.00 0.00 ATOM 19 OE1 GLN A 3 35.427 9.445 31.769 1.00 0.00 ATOM 20 NE2 GLN A 3 36.750 10.420 33.303 1.00 0.00 ATOM 21 O GLN A 3 36.168 4.758 33.716 1.00 0.00 ATOM 22 C GLN A 3 37.285 5.105 33.343 1.00 0.00 ATOM 23 N CYS A 4 38.380 5.032 34.077 1.00 0.00 ATOM 24 CA CYS A 4 38.412 4.439 35.430 1.00 0.00 ATOM 25 CB CYS A 4 39.443 3.312 35.462 1.00 0.00 ATOM 26 SG CYS A 4 38.866 1.916 34.427 1.00 0.00 ATOM 27 O CYS A 4 39.247 6.551 36.211 1.00 0.00 ATOM 28 C CYS A 4 38.709 5.478 36.505 1.00 0.00 ATOM 29 N HIS A 5 38.377 5.126 37.740 1.00 0.00 ATOM 30 CA HIS A 5 38.617 6.009 38.897 1.00 0.00 ATOM 31 CB HIS A 5 37.346 6.784 39.259 1.00 0.00 ATOM 32 CG HIS A 5 36.412 6.025 40.150 1.00 0.00 ATOM 33 CD2 HIS A 5 36.318 5.961 41.499 1.00 0.00 ATOM 34 ND1 HIS A 5 35.418 5.204 39.659 1.00 0.00 ATOM 35 CE1 HIS A 5 34.754 4.668 40.668 1.00 0.00 ATOM 36 NE2 HIS A 5 35.281 5.112 41.794 1.00 0.00 ATOM 37 O HIS A 5 38.659 4.220 40.504 1.00 0.00 ATOM 38 C HIS A 5 39.109 5.307 40.163 1.00 0.00 ATOM 39 N PHE A 6 40.001 6.037 40.807 1.00 0.00 ATOM 40 CA PHE A 6 40.569 5.655 42.107 1.00 0.00 ATOM 41 CB PHE A 6 42.068 5.371 41.982 1.00 0.00 ATOM 42 CG PHE A 6 42.346 4.159 41.093 1.00 0.00 ATOM 43 CD1 PHE A 6 42.291 4.289 39.710 1.00 0.00 ATOM 44 CD2 PHE A 6 42.665 2.934 41.659 1.00 0.00 ATOM 45 CE1 PHE A 6 42.549 3.203 38.897 1.00 0.00 ATOM 46 CE2 PHE A 6 42.938 1.842 40.846 1.00 0.00 ATOM 47 CZ PHE A 6 42.884 1.971 39.462 1.00 0.00 ATOM 48 O PHE A 6 40.878 7.921 42.882 1.00 0.00 ATOM 49 C PHE A 6 40.376 6.807 43.092 1.00 0.00 ATOM 50 N ASP A 7 39.677 6.490 44.158 1.00 0.00 ATOM 51 CA ASP A 7 39.486 7.440 45.258 1.00 0.00 ATOM 52 CB ASP A 7 38.030 7.430 45.728 1.00 0.00 ATOM 53 CG ASP A 7 37.672 8.555 46.690 1.00 0.00 ATOM 54 OD1 ASP A 7 38.550 9.304 47.051 1.00 0.00 ATOM 55 OD2 ASP A 7 36.504 8.756 46.930 1.00 0.00 ATOM 56 O ASP A 7 40.546 5.903 46.790 1.00 0.00 ATOM 57 C ASP A 7 40.452 7.057 46.381 1.00 0.00 ATOM 58 N ILE A 8 41.377 7.975 46.629 1.00 0.00 ATOM 59 CA ILE A 8 42.529 7.706 47.515 1.00 0.00 ATOM 60 CB ILE A 8 43.871 8.090 46.845 1.00 0.00 ATOM 61 CG1 ILE A 8 44.045 7.417 45.469 1.00 0.00 ATOM 62 CG2 ILE A 8 45.098 7.804 47.713 1.00 0.00 ATOM 63 CD1 ILE A 8 43.897 5.892 45.478 1.00 0.00 ATOM 64 O ILE A 8 41.781 9.481 48.983 1.00 0.00 ATOM 65 C ILE A 8 42.359 8.405 48.871 1.00 0.00 ATOM 66 N GLU A 9 42.868 7.726 49.893 1.00 0.00 ATOM 67 CA GLU A 9 42.976 8.280 51.248 1.00 0.00 ATOM 68 CB GLU A 9 42.032 7.547 52.204 1.00 0.00 ATOM 69 CG GLU A 9 40.554 7.728 51.890 1.00 0.00 ATOM 70 CD GLU A 9 39.692 7.003 52.885 1.00 0.00 ATOM 71 OE1 GLU A 9 40.231 6.379 53.766 1.00 0.00 ATOM 72 OE2 GLU A 9 38.495 7.165 52.833 1.00 0.00 ATOM 73 O GLU A 9 45.124 7.219 51.397 1.00 0.00 ATOM 74 C GLU A 9 44.421 8.184 51.729 1.00 0.00 ATOM 75 N ILE A 10 44.870 9.231 52.412 1.00 0.00 ATOM 76 CA ILE A 10 46.178 9.210 53.092 1.00 0.00 ATOM 77 CB ILE A 10 47.053 10.404 52.670 1.00 0.00 ATOM 78 CG1 ILE A 10 47.410 10.305 51.184 1.00 0.00 ATOM 79 CG2 ILE A 10 48.313 10.467 53.521 1.00 0.00 ATOM 80 CD1 ILE A 10 48.294 11.430 50.693 1.00 0.00 ATOM 81 O ILE A 10 45.339 10.175 55.125 1.00 0.00 ATOM 82 C ILE A 10 45.896 9.227 54.588 1.00 0.00 ATOM 83 N ASN A 11 46.159 8.078 55.205 1.00 0.00 ATOM 84 CA ASN A 11 45.913 7.880 56.651 1.00 0.00 ATOM 85 CB ASN A 11 46.906 8.686 57.481 1.00 0.00 ATOM 86 CG ASN A 11 46.903 8.157 58.913 1.00 0.00 ATOM 87 ND2 ASN A 11 47.251 8.999 59.824 1.00 0.00 ATOM 88 OD1 ASN A 11 46.608 7.032 59.273 1.00 0.00 ATOM 89 O ASN A 11 44.202 9.164 57.826 1.00 0.00 ATOM 90 C ASN A 11 44.477 8.245 57.048 1.00 0.00 ATOM 91 N ARG A 12 43.598 7.667 56.254 1.00 0.00 ATOM 92 CA ARG A 12 42.125 7.787 56.320 1.00 0.00 ATOM 93 CB ARG A 12 41.554 7.172 57.589 1.00 0.00 ATOM 94 CG ARG A 12 41.813 5.682 57.750 1.00 0.00 ATOM 95 CD ARG A 12 41.173 5.075 58.946 1.00 0.00 ATOM 96 NE ARG A 12 39.721 5.035 58.896 1.00 0.00 ATOM 97 CZ ARG A 12 39.002 4.050 58.324 1.00 0.00 ATOM 98 NH1 ARG A 12 39.593 3.043 57.719 1.00 0.00 ATOM 99 NH2 ARG A 12 37.683 4.133 58.366 1.00 0.00 ATOM 100 O ARG A 12 40.329 9.418 56.326 1.00 0.00 ATOM 101 C ARG A 12 41.542 9.199 56.167 1.00 0.00 ATOM 102 N GLU A 13 42.358 10.089 55.593 1.00 0.00 ATOM 103 CA GLU A 13 41.895 11.380 55.074 1.00 0.00 ATOM 104 CB GLU A 13 42.803 12.510 55.563 1.00 0.00 ATOM 105 CG GLU A 13 42.391 13.897 55.088 1.00 0.00 ATOM 106 CD GLU A 13 43.331 14.951 55.603 1.00 0.00 ATOM 107 OE1 GLU A 13 44.262 14.607 56.289 1.00 0.00 ATOM 108 OE2 GLU A 13 43.184 16.088 55.218 1.00 0.00 ATOM 109 O GLU A 13 42.881 11.111 52.879 1.00 0.00 ATOM 110 C GLU A 13 41.849 11.344 53.529 1.00 0.00 ATOM 111 N PRO A 14 40.659 11.586 52.961 1.00 0.00 ATOM 112 CA PRO A 14 40.453 11.552 51.512 1.00 0.00 ATOM 113 CB PRO A 14 38.983 11.905 51.315 1.00 0.00 ATOM 114 CG PRO A 14 38.346 11.425 52.617 1.00 0.00 ATOM 115 CD PRO A 14 39.384 11.826 53.664 1.00 0.00 ATOM 116 O PRO A 14 41.406 13.760 51.250 1.00 0.00 ATOM 117 C PRO A 14 41.349 12.605 50.853 1.00 0.00 ATOM 118 N VAL A 15 42.137 12.118 49.913 1.00 0.00 ATOM 119 CA VAL A 15 43.003 13.029 49.137 1.00 0.00 ATOM 120 CB VAL A 15 44.482 12.633 49.154 1.00 0.00 ATOM 121 CG1 VAL A 15 44.969 12.832 50.581 1.00 0.00 ATOM 122 CG2 VAL A 15 44.738 11.195 48.691 1.00 0.00 ATOM 123 O VAL A 15 43.123 13.966 46.964 1.00 0.00 ATOM 124 C VAL A 15 42.483 13.252 47.726 1.00 0.00 ATOM 125 N GLY A 16 41.317 12.681 47.429 1.00 0.00 ATOM 126 CA GLY A 16 40.619 12.928 46.170 1.00 0.00 ATOM 127 O GLY A 16 41.125 10.637 45.509 1.00 0.00 ATOM 128 C GLY A 16 40.638 11.730 45.220 1.00 0.00 ATOM 129 N ARG A 17 40.167 12.064 44.030 1.00 0.00 ATOM 130 CA ARG A 17 39.993 11.075 42.963 1.00 0.00 ATOM 131 CB ARG A 17 38.559 11.022 42.458 1.00 0.00 ATOM 132 CG ARG A 17 37.543 10.507 43.467 1.00 0.00 ATOM 133 CD ARG A 17 36.153 10.427 42.950 1.00 0.00 ATOM 134 NE ARG A 17 35.185 9.913 43.904 1.00 0.00 ATOM 135 CZ ARG A 17 33.872 9.744 43.649 1.00 0.00 ATOM 136 NH1 ARG A 17 33.361 10.081 42.485 1.00 0.00 ATOM 137 NH2 ARG A 17 33.107 9.251 44.606 1.00 0.00 ATOM 138 O ARG A 17 41.215 12.413 41.357 1.00 0.00 ATOM 139 C ARG A 17 40.970 11.296 41.809 1.00 0.00 ATOM 140 N ILE A 18 41.464 10.162 41.348 1.00 0.00 ATOM 141 CA ILE A 18 42.336 10.068 40.167 1.00 0.00 ATOM 142 CB ILE A 18 43.643 9.299 40.436 1.00 0.00 ATOM 143 CG1 ILE A 18 44.361 9.829 41.689 1.00 0.00 ATOM 144 CG2 ILE A 18 44.565 9.460 39.228 1.00 0.00 ATOM 145 CD1 ILE A 18 45.559 8.977 42.154 1.00 0.00 ATOM 146 O ILE A 18 41.029 8.256 39.253 1.00 0.00 ATOM 147 C ILE A 18 41.520 9.370 39.073 1.00 0.00 ATOM 148 N MET A 19 41.355 10.106 37.979 1.00 0.00 ATOM 149 CA MET A 19 40.628 9.592 36.808 1.00 0.00 ATOM 150 CB MET A 19 39.533 10.574 36.395 1.00 0.00 ATOM 151 CG MET A 19 38.550 10.925 37.505 1.00 0.00 ATOM 152 SD MET A 19 37.254 12.051 36.954 1.00 0.00 ATOM 153 CE MET A 19 36.389 12.349 38.493 1.00 0.00 ATOM 154 O MET A 19 42.355 10.264 35.265 1.00 0.00 ATOM 155 C MET A 19 41.626 9.353 35.667 1.00 0.00 ATOM 156 N PHE A 20 41.561 8.137 35.136 1.00 0.00 ATOM 157 CA PHE A 20 42.408 7.686 34.016 1.00 0.00 ATOM 158 CB PHE A 20 43.166 6.415 34.382 1.00 0.00 ATOM 159 CG PHE A 20 44.082 6.610 35.577 1.00 0.00 ATOM 160 CD1 PHE A 20 45.456 6.705 35.379 1.00 0.00 ATOM 161 CD2 PHE A 20 43.532 6.552 36.851 1.00 0.00 ATOM 162 CE1 PHE A 20 46.285 6.715 36.490 1.00 0.00 ATOM 163 CE2 PHE A 20 44.364 6.543 37.945 1.00 0.00 ATOM 164 CZ PHE A 20 45.729 6.628 37.758 1.00 0.00 ATOM 165 O PHE A 20 40.572 6.588 32.918 1.00 0.00 ATOM 166 C PHE A 20 41.564 7.322 32.808 1.00 0.00 ATOM 167 N GLN A 21 42.118 7.672 31.660 1.00 0.00 ATOM 168 CA GLN A 21 41.605 7.201 30.370 1.00 0.00 ATOM 169 CB GLN A 21 41.622 8.334 29.340 1.00 0.00 ATOM 170 CG GLN A 21 41.034 7.956 27.990 1.00 0.00 ATOM 171 CD GLN A 21 41.000 9.127 27.027 1.00 0.00 ATOM 172 OE1 GLN A 21 41.378 10.249 27.377 1.00 0.00 ATOM 173 NE2 GLN A 21 40.538 8.875 25.807 1.00 0.00 ATOM 174 O GLN A 21 43.718 6.122 29.938 1.00 0.00 ATOM 175 C GLN A 21 42.495 6.025 29.954 1.00 0.00 ATOM 176 N LEU A 22 41.812 4.952 29.573 1.00 0.00 ATOM 177 CA LEU A 22 42.519 3.765 29.085 1.00 0.00 ATOM 178 CB LEU A 22 41.902 2.485 29.654 1.00 0.00 ATOM 179 CG LEU A 22 41.983 2.386 31.167 1.00 0.00 ATOM 180 CD1 LEU A 22 41.200 1.142 31.561 1.00 0.00 ATOM 181 CD2 LEU A 22 43.436 2.340 31.648 1.00 0.00 ATOM 182 O LEU A 22 41.356 3.884 27.001 1.00 0.00 ATOM 183 C LEU A 22 42.442 3.723 27.573 1.00 0.00 ATOM 184 N PHE A 23 43.573 3.351 26.995 1.00 0.00 ATOM 185 CA PHE A 23 43.756 3.257 25.535 1.00 0.00 ATOM 186 CB PHE A 23 45.163 3.723 25.159 1.00 0.00 ATOM 187 CG PHE A 23 45.369 5.220 25.352 1.00 0.00 ATOM 188 CD1 PHE A 23 46.116 5.638 26.437 1.00 0.00 ATOM 189 CD2 PHE A 23 44.870 6.169 24.476 1.00 0.00 ATOM 190 CE1 PHE A 23 46.350 6.987 26.645 1.00 0.00 ATOM 191 CE2 PHE A 23 45.080 7.521 24.684 1.00 0.00 ATOM 192 CZ PHE A 23 45.829 7.930 25.773 1.00 0.00 ATOM 193 O PHE A 23 44.399 1.099 24.620 1.00 0.00 ATOM 194 C PHE A 23 43.503 1.824 25.043 1.00 0.00 ATOM 195 N SER A 24 42.227 1.446 25.104 1.00 0.00 ATOM 196 CA SER A 24 41.784 0.095 24.702 1.00 0.00 ATOM 197 CB SER A 24 40.300 -0.068 24.967 1.00 0.00 ATOM 198 OG SER A 24 39.525 0.777 24.164 1.00 0.00 ATOM 199 O SER A 24 42.450 -1.337 22.902 1.00 0.00 ATOM 200 C SER A 24 42.075 -0.216 23.228 1.00 0.00 ATOM 201 N ASP A 25 42.080 0.837 22.413 1.00 0.00 ATOM 202 CA ASP A 25 42.351 0.723 20.968 1.00 0.00 ATOM 203 CB ASP A 25 42.023 2.039 20.255 1.00 0.00 ATOM 204 CG ASP A 25 40.534 2.325 20.120 1.00 0.00 ATOM 205 OD1 ASP A 25 39.753 1.432 20.347 1.00 0.00 ATOM 206 OD2 ASP A 25 40.184 3.467 19.943 1.00 0.00 ATOM 207 O ASP A 25 44.049 -0.274 19.598 1.00 0.00 ATOM 208 C ASP A 25 43.790 0.335 20.638 1.00 0.00 ATOM 209 N ILE A 26 44.691 0.697 21.550 1.00 0.00 ATOM 210 CA ILE A 26 46.139 0.471 21.367 1.00 0.00 ATOM 211 CB ILE A 26 46.867 1.737 21.834 1.00 0.00 ATOM 212 CG1 ILE A 26 46.592 2.907 20.878 1.00 0.00 ATOM 213 CG2 ILE A 26 48.370 1.487 21.977 1.00 0.00 ATOM 214 CD1 ILE A 26 47.116 4.272 21.340 1.00 0.00 ATOM 215 O ILE A 26 47.312 -1.628 21.529 1.00 0.00 ATOM 216 C ILE A 26 46.582 -0.814 22.096 1.00 0.00 ATOM 217 N CYS A 27 46.204 -0.926 23.367 1.00 0.00 ATOM 218 CA CYS A 27 46.609 -2.063 24.224 1.00 0.00 ATOM 219 CB CYS A 27 47.607 -1.562 25.264 1.00 0.00 ATOM 220 SG CYS A 27 49.078 -0.927 24.387 1.00 0.00 ATOM 221 O CYS A 27 45.155 -2.677 26.044 1.00 0.00 ATOM 222 C CYS A 27 45.382 -2.756 24.833 1.00 0.00 ATOM 223 N PRO A 28 44.639 -3.515 24.027 1.00 0.00 ATOM 224 CA PRO A 28 43.368 -4.126 24.483 1.00 0.00 ATOM 225 CB PRO A 28 42.719 -4.721 23.238 1.00 0.00 ATOM 226 CG PRO A 28 43.900 -4.967 22.317 1.00 0.00 ATOM 227 CD PRO A 28 44.883 -3.830 22.601 1.00 0.00 ATOM 228 O PRO A 28 42.750 -4.975 26.593 1.00 0.00 ATOM 229 C PRO A 28 43.491 -5.123 25.632 1.00 0.00 ATOM 230 N LYS A 29 44.478 -6.031 25.616 1.00 0.00 ATOM 231 CA LYS A 29 44.654 -6.999 26.735 1.00 0.00 ATOM 232 CB LYS A 29 45.678 -8.071 26.360 1.00 0.00 ATOM 233 CG LYS A 29 45.206 -9.049 25.294 1.00 0.00 ATOM 234 CD LYS A 29 46.276 -10.081 24.975 1.00 0.00 ATOM 235 CE LYS A 29 45.818 -11.038 23.884 1.00 0.00 ATOM 236 NZ LYS A 29 46.864 -12.039 23.545 1.00 0.00 ATOM 237 O LYS A 29 44.511 -6.685 29.093 1.00 0.00 ATOM 238 C LYS A 29 45.081 -6.365 28.057 1.00 0.00 ATOM 239 N THR A 30 46.027 -5.418 27.957 1.00 0.00 ATOM 240 CA THR A 30 46.533 -4.667 29.126 1.00 0.00 ATOM 241 CB THR A 30 47.731 -3.776 28.751 1.00 0.00 ATOM 242 CG2 THR A 30 48.296 -3.093 29.986 1.00 0.00 ATOM 243 OG1 THR A 30 48.753 -4.577 28.142 1.00 0.00 ATOM 244 O THR A 30 45.153 -3.882 30.933 1.00 0.00 ATOM 245 C THR A 30 45.420 -3.798 29.733 1.00 0.00 ATOM 246 N CYS A 31 44.665 -3.144 28.866 1.00 0.00 ATOM 247 CA CYS A 31 43.502 -2.328 29.268 1.00 0.00 ATOM 248 CB CYS A 31 42.935 -1.554 28.081 1.00 0.00 ATOM 249 SG CYS A 31 44.055 -0.191 27.603 1.00 0.00 ATOM 250 O CYS A 31 41.841 -2.755 30.937 1.00 0.00 ATOM 251 C CYS A 31 42.389 -3.148 29.918 1.00 0.00 ATOM 252 N LYS A 32 42.138 -4.316 29.338 1.00 0.00 ATOM 253 CA LYS A 32 41.150 -5.273 29.862 1.00 0.00 ATOM 254 CB LYS A 32 40.999 -6.461 28.911 1.00 0.00 ATOM 255 CG LYS A 32 39.960 -7.486 29.346 1.00 0.00 ATOM 256 CD LYS A 32 39.811 -8.595 28.313 1.00 0.00 ATOM 257 CE LYS A 32 38.799 -9.639 28.764 1.00 0.00 ATOM 258 NZ LYS A 32 38.660 -10.742 27.774 1.00 0.00 ATOM 259 O LYS A 32 40.714 -5.769 32.175 1.00 0.00 ATOM 260 C LYS A 32 41.528 -5.772 31.259 1.00 0.00 ATOM 261 N ASN A 33 42.814 -6.096 31.391 1.00 0.00 ATOM 262 CA ASN A 33 43.386 -6.541 32.680 1.00 0.00 ATOM 263 CB ASN A 33 44.838 -6.963 32.484 1.00 0.00 ATOM 264 CG ASN A 33 45.490 -7.377 33.801 1.00 0.00 ATOM 265 ND2 ASN A 33 46.403 -6.544 34.236 1.00 0.00 ATOM 266 OD1 ASN A 33 45.147 -8.342 34.457 1.00 0.00 ATOM 267 O ASN A 33 42.674 -5.752 34.834 1.00 0.00 ATOM 268 C ASN A 33 43.230 -5.476 33.770 1.00 0.00 ATOM 269 N PHE A 34 43.581 -4.236 33.410 1.00 0.00 ATOM 270 CA PHE A 34 43.468 -3.088 34.329 1.00 0.00 ATOM 271 CB PHE A 34 44.129 -1.849 33.721 1.00 0.00 ATOM 272 CG PHE A 34 44.257 -0.699 34.680 1.00 0.00 ATOM 273 CD1 PHE A 34 45.261 -0.684 35.636 1.00 0.00 ATOM 274 CD2 PHE A 34 43.374 0.369 34.627 1.00 0.00 ATOM 275 CE1 PHE A 34 45.380 0.373 36.518 1.00 0.00 ATOM 276 CE2 PHE A 34 43.491 1.427 35.507 1.00 0.00 ATOM 277 CZ PHE A 34 44.497 1.429 36.454 1.00 0.00 ATOM 278 O PHE A 34 41.671 -2.615 35.861 1.00 0.00 ATOM 279 C PHE A 34 42.005 -2.762 34.692 1.00 0.00 ATOM 280 N LEU A 35 41.131 -2.771 33.686 1.00 0.00 ATOM 281 CA LEU A 35 39.703 -2.469 33.865 1.00 0.00 ATOM 282 CB LEU A 35 39.025 -2.415 32.492 1.00 0.00 ATOM 283 CG LEU A 35 37.629 -1.813 32.539 1.00 0.00 ATOM 284 CD1 LEU A 35 37.371 -1.017 31.263 1.00 0.00 ATOM 285 CD2 LEU A 35 36.577 -2.920 32.616 1.00 0.00 ATOM 286 O LEU A 35 38.289 -3.128 35.707 1.00 0.00 ATOM 287 C LEU A 35 39.008 -3.494 34.775 1.00 0.00 ATOM 288 N CYS A 36 39.352 -4.757 34.564 1.00 0.00 ATOM 289 CA CYS A 36 38.804 -5.847 35.382 1.00 0.00 ATOM 290 CB CYS A 36 39.122 -7.163 34.699 1.00 0.00 ATOM 291 SG CYS A 36 38.166 -7.290 33.136 1.00 0.00 ATOM 292 O CYS A 36 38.558 -6.130 37.739 1.00 0.00 ATOM 293 C CYS A 36 39.315 -5.848 36.817 1.00 0.00 ATOM 294 N LEU A 37 40.574 -5.447 36.994 1.00 0.00 ATOM 295 CA LEU A 37 41.144 -5.285 38.335 1.00 0.00 ATOM 296 CB LEU A 37 42.654 -5.036 38.241 1.00 0.00 ATOM 297 CG LEU A 37 43.484 -6.231 37.753 1.00 0.00 ATOM 298 CD1 LEU A 37 44.933 -5.811 37.548 1.00 0.00 ATOM 299 CD2 LEU A 37 43.389 -7.363 38.766 1.00 0.00 ATOM 300 O LEU A 37 40.368 -4.210 40.350 1.00 0.00 ATOM 301 C LEU A 37 40.485 -4.145 39.131 1.00 0.00 ATOM 302 N CYS A 38 40.061 -3.114 38.404 1.00 0.00 ATOM 303 CA CYS A 38 39.325 -1.977 39.000 1.00 0.00 ATOM 304 CB CYS A 38 39.293 -0.809 38.023 1.00 0.00 ATOM 305 SG CYS A 38 41.003 -0.193 37.851 1.00 0.00 ATOM 306 O CYS A 38 37.499 -1.889 40.496 1.00 0.00 ATOM 307 C CYS A 38 37.916 -2.348 39.448 1.00 0.00 ATOM 308 N SER A 39 37.226 -3.144 38.645 1.00 0.00 ATOM 309 CA SER A 39 35.858 -3.581 38.960 1.00 0.00 ATOM 310 CB SER A 39 35.084 -3.834 37.681 1.00 0.00 ATOM 311 OG SER A 39 35.614 -4.901 36.948 1.00 0.00 ATOM 312 O SER A 39 34.771 -5.019 40.527 1.00 0.00 ATOM 313 C SER A 39 35.768 -4.835 39.836 1.00 0.00 ATOM 314 N GLY A 40 36.758 -5.711 39.718 1.00 0.00 ATOM 315 CA GLY A 40 36.799 -7.024 40.386 1.00 0.00 ATOM 316 O GLY A 40 35.568 -9.078 40.369 1.00 0.00 ATOM 317 C GLY A 40 35.787 -8.021 39.797 1.00 0.00 ATOM 318 N GLU A 41 35.421 -7.795 38.530 1.00 0.00 ATOM 319 CA GLU A 41 34.426 -8.641 37.852 1.00 0.00 ATOM 320 CB GLU A 41 33.607 -7.815 36.860 1.00 0.00 ATOM 321 CG GLU A 41 32.755 -6.727 37.500 1.00 0.00 ATOM 322 CD GLU A 41 31.973 -5.964 36.467 1.00 0.00 ATOM 323 OE1 GLU A 41 32.091 -6.283 35.307 1.00 0.00 ATOM 324 OE2 GLU A 41 31.175 -5.140 36.843 1.00 0.00 ATOM 325 O GLU A 41 34.399 -10.494 36.250 1.00 0.00 ATOM 326 C GLU A 41 35.003 -9.849 37.097 1.00 0.00 ATOM 327 N LYS A 42 36.234 -10.182 37.461 1.00 0.00 ATOM 328 CA LYS A 42 36.934 -11.343 36.913 1.00 0.00 ATOM 329 CB LYS A 42 38.283 -10.930 36.317 1.00 0.00 ATOM 330 CG LYS A 42 38.087 -10.302 34.943 1.00 0.00 ATOM 331 CD LYS A 42 37.599 -11.297 33.910 1.00 0.00 ATOM 332 CE LYS A 42 38.724 -12.219 33.513 1.00 0.00 ATOM 333 NZ LYS A 42 38.199 -13.131 32.528 1.00 0.00 ATOM 334 O LYS A 42 37.417 -13.612 37.432 1.00 0.00 ATOM 335 C LYS A 42 37.098 -12.512 37.884 1.00 0.00 ATOM 336 N GLY A 43 37.014 -12.203 39.181 1.00 0.00 ATOM 337 CA GLY A 43 37.090 -13.206 40.263 1.00 0.00 ATOM 338 O GLY A 43 38.793 -12.143 41.552 1.00 0.00 ATOM 339 C GLY A 43 38.374 -13.192 41.071 1.00 0.00 ATOM 340 N LEU A 44 38.825 -14.400 41.370 1.00 0.00 ATOM 341 CA LEU A 44 40.061 -14.640 42.136 1.00 0.00 ATOM 342 CB LEU A 44 39.913 -15.732 43.185 1.00 0.00 ATOM 343 CG LEU A 44 38.698 -15.545 44.086 1.00 0.00 ATOM 344 CD1 LEU A 44 38.578 -16.800 44.913 1.00 0.00 ATOM 345 CD2 LEU A 44 38.838 -14.357 45.034 1.00 0.00 ATOM 346 O LEU A 44 41.018 -15.668 40.170 1.00 0.00 ATOM 347 C LEU A 44 41.216 -15.067 41.228 1.00 0.00 ATOM 348 N GLY A 45 42.410 -14.796 41.730 1.00 0.00 ATOM 349 CA GLY A 45 43.682 -15.098 41.070 1.00 0.00 ATOM 350 O GLY A 45 43.696 -17.388 41.775 1.00 0.00 ATOM 351 C GLY A 45 43.899 -16.591 40.874 1.00 0.00 ATOM 352 N LYS A 46 44.248 -16.961 39.658 1.00 0.00 ATOM 353 CA LYS A 46 44.581 -18.368 39.315 1.00 0.00 ATOM 354 CB LYS A 46 45.045 -18.469 37.862 1.00 0.00 ATOM 355 CG LYS A 46 45.373 -19.885 37.404 1.00 0.00 ATOM 356 CD LYS A 46 45.765 -19.914 35.934 1.00 0.00 ATOM 357 CE LYS A 46 46.137 -21.320 35.486 1.00 0.00 ATOM 358 NZ LYS A 46 46.517 -21.365 34.049 1.00 0.00 ATOM 359 O LYS A 46 45.519 -20.077 40.741 1.00 0.00 ATOM 360 C LYS A 46 45.662 -18.963 40.241 1.00 0.00 ATOM 361 N THR A 47 46.763 -18.241 40.374 1.00 0.00 ATOM 362 CA THR A 47 47.902 -18.722 41.184 1.00 0.00 ATOM 363 CB THR A 47 49.246 -18.235 40.612 1.00 0.00 ATOM 364 CG2 THR A 47 49.452 -18.769 39.203 1.00 0.00 ATOM 365 OG1 THR A 47 49.266 -16.803 40.585 1.00 0.00 ATOM 366 O THR A 47 48.219 -19.043 43.538 1.00 0.00 ATOM 367 C THR A 47 47.814 -18.282 42.644 1.00 0.00 ATOM 368 N THR A 48 47.384 -17.049 42.881 1.00 0.00 ATOM 369 CA THR A 48 47.308 -16.534 44.252 1.00 0.00 ATOM 370 CB THR A 48 47.416 -15.009 44.410 1.00 0.00 ATOM 371 CG2 THR A 48 48.663 -14.441 43.725 1.00 0.00 ATOM 372 OG1 THR A 48 46.182 -14.393 44.019 1.00 0.00 ATOM 373 O THR A 48 45.994 -16.934 46.196 1.00 0.00 ATOM 374 C THR A 48 46.027 -16.966 44.967 1.00 0.00 ATOM 375 N GLY A 49 44.951 -17.136 44.209 1.00 0.00 ATOM 376 CA GLY A 49 43.606 -17.437 44.746 1.00 0.00 ATOM 377 O GLY A 49 41.781 -16.377 45.916 1.00 0.00 ATOM 378 C GLY A 49 42.881 -16.243 45.397 1.00 0.00 ATOM 379 N LYS A 50 43.502 -15.078 45.358 1.00 0.00 ATOM 380 CA LYS A 50 42.949 -13.884 46.024 1.00 0.00 ATOM 381 CB LYS A 50 44.073 -13.028 46.609 1.00 0.00 ATOM 382 CG LYS A 50 44.862 -13.702 47.723 1.00 0.00 ATOM 383 CD LYS A 50 45.926 -12.772 48.289 1.00 0.00 ATOM 384 CE LYS A 50 46.706 -13.441 49.411 1.00 0.00 ATOM 385 NZ LYS A 50 47.747 -12.541 49.979 1.00 0.00 ATOM 386 O LYS A 50 42.150 -13.216 43.864 1.00 0.00 ATOM 387 C LYS A 50 42.092 -13.030 45.064 1.00 0.00 ATOM 388 N LYS A 51 41.273 -12.116 45.589 1.00 0.00 ATOM 389 CA LYS A 51 40.389 -11.281 44.750 1.00 0.00 ATOM 390 CB LYS A 51 39.534 -10.361 45.623 1.00 0.00 ATOM 391 CG LYS A 51 38.531 -9.515 44.851 1.00 0.00 ATOM 392 CD LYS A 51 37.669 -8.684 45.790 1.00 0.00 ATOM 393 CE LYS A 51 36.664 -7.841 45.020 1.00 0.00 ATOM 394 NZ LYS A 51 35.819 -7.016 45.926 1.00 0.00 ATOM 395 O LYS A 51 42.186 -9.806 44.135 1.00 0.00 ATOM 396 C LYS A 51 41.221 -10.462 43.755 1.00 0.00 ATOM 397 N LEU A 52 40.762 -10.433 42.521 1.00 0.00 ATOM 398 CA LEU A 52 41.436 -9.657 41.464 1.00 0.00 ATOM 399 CB LEU A 52 41.254 -10.352 40.097 1.00 0.00 ATOM 400 CG LEU A 52 41.876 -11.750 40.020 1.00 0.00 ATOM 401 CD1 LEU A 52 41.441 -12.418 38.707 1.00 0.00 ATOM 402 CD2 LEU A 52 43.401 -11.679 40.102 1.00 0.00 ATOM 403 O LEU A 52 40.085 -7.860 40.575 1.00 0.00 ATOM 404 C LEU A 52 40.886 -8.227 41.437 1.00 0.00 ATOM 405 N CYS A 53 41.287 -7.447 42.441 1.00 0.00 ATOM 406 CA CYS A 53 40.816 -6.046 42.555 1.00 0.00 ATOM 407 CB CYS A 53 39.406 -5.995 43.151 1.00 0.00 ATOM 408 SG CYS A 53 38.805 -4.267 43.116 1.00 0.00 ATOM 409 O CYS A 53 42.200 -5.438 44.410 1.00 0.00 ATOM 410 C CYS A 53 41.741 -5.103 43.331 1.00 0.00 ATOM 411 N TYR A 54 41.764 -3.836 42.917 1.00 0.00 ATOM 412 CA TYR A 54 42.512 -2.750 43.593 1.00 0.00 ATOM 413 CB TYR A 54 42.706 -1.562 42.651 1.00 0.00 ATOM 414 CG TYR A 54 43.492 -1.931 41.392 1.00 0.00 ATOM 415 CD1 TYR A 54 42.879 -1.786 40.150 1.00 0.00 ATOM 416 CD2 TYR A 54 44.804 -2.375 41.460 1.00 0.00 ATOM 417 CE1 TYR A 54 43.587 -2.069 38.997 1.00 0.00 ATOM 418 CE2 TYR A 54 45.502 -2.679 40.299 1.00 0.00 ATOM 419 CZ TYR A 54 44.899 -2.512 39.066 1.00 0.00 ATOM 420 OH TYR A 54 45.592 -2.773 37.922 1.00 0.00 ATOM 421 O TYR A 54 42.592 -1.461 45.629 1.00 0.00 ATOM 422 C TYR A 54 41.936 -2.213 44.910 1.00 0.00 ATOM 423 N LYS A 55 40.674 -2.527 45.201 1.00 0.00 ATOM 424 CA LYS A 55 39.988 -2.013 46.414 1.00 0.00 ATOM 425 CB LYS A 55 38.546 -2.520 46.470 1.00 0.00 ATOM 426 CG LYS A 55 37.733 -1.978 47.638 1.00 0.00 ATOM 427 CD LYS A 55 36.287 -2.443 47.569 1.00 0.00 ATOM 428 CE LYS A 55 35.492 -1.965 48.775 1.00 0.00 ATOM 429 NZ LYS A 55 34.055 -2.337 48.678 1.00 0.00 ATOM 430 O LYS A 55 40.919 -3.610 47.972 1.00 0.00 ATOM 431 C LYS A 55 40.745 -2.421 47.687 1.00 0.00 ATOM 432 N GLY A 56 41.212 -1.400 48.398 1.00 0.00 ATOM 433 CA GLY A 56 41.954 -1.597 49.652 1.00 0.00 ATOM 434 O GLY A 56 44.162 -1.795 50.505 1.00 0.00 ATOM 435 C GLY A 56 43.469 -1.746 49.501 1.00 0.00 ATOM 436 N SER A 57 43.958 -1.950 48.273 1.00 0.00 ATOM 437 CA SER A 57 45.408 -1.991 48.030 1.00 0.00 ATOM 438 CB SER A 57 45.742 -2.533 46.631 1.00 0.00 ATOM 439 OG SER A 57 45.422 -1.559 45.627 1.00 0.00 ATOM 440 O SER A 57 45.304 0.386 48.497 1.00 0.00 ATOM 441 C SER A 57 46.015 -0.595 48.242 1.00 0.00 ATOM 442 N THR A 58 47.336 -0.537 48.171 1.00 0.00 ATOM 443 CA THR A 58 48.106 0.669 48.492 1.00 0.00 ATOM 444 CB THR A 58 49.005 0.454 49.723 1.00 0.00 ATOM 445 CG2 THR A 58 48.176 0.005 50.917 1.00 0.00 ATOM 446 OG1 THR A 58 49.992 -0.543 49.430 1.00 0.00 ATOM 447 O THR A 58 49.056 0.533 46.258 1.00 0.00 ATOM 448 C THR A 58 48.991 1.135 47.327 1.00 0.00 ATOM 449 N PHE A 59 49.575 2.291 47.574 1.00 0.00 ATOM 450 CA PHE A 59 50.672 2.808 46.739 1.00 0.00 ATOM 451 CB PHE A 59 50.370 4.235 46.280 1.00 0.00 ATOM 452 CG PHE A 59 49.274 4.322 45.256 1.00 0.00 ATOM 453 CD1 PHE A 59 47.942 4.231 45.634 1.00 0.00 ATOM 454 CD2 PHE A 59 49.572 4.492 43.912 1.00 0.00 ATOM 455 CE1 PHE A 59 46.934 4.311 44.691 1.00 0.00 ATOM 456 CE2 PHE A 59 48.566 4.574 42.969 1.00 0.00 ATOM 457 CZ PHE A 59 47.244 4.483 43.360 1.00 0.00 ATOM 458 O PHE A 59 52.365 3.698 48.209 1.00 0.00 ATOM 459 C PHE A 59 51.951 2.727 47.577 1.00 0.00 ATOM 460 N HIS A 60 52.519 1.519 47.538 1.00 0.00 ATOM 461 CA HIS A 60 53.696 1.099 48.346 1.00 0.00 ATOM 462 CB HIS A 60 53.969 -0.409 48.218 1.00 0.00 ATOM 463 CG HIS A 60 54.155 -0.841 46.768 1.00 0.00 ATOM 464 CD2 HIS A 60 55.290 -1.101 46.131 1.00 0.00 ATOM 465 ND1 HIS A 60 53.155 -1.003 45.903 1.00 0.00 ATOM 466 CE1 HIS A 60 53.671 -1.379 44.735 1.00 0.00 ATOM 467 NE2 HIS A 60 54.985 -1.430 44.872 1.00 0.00 ATOM 468 O HIS A 60 55.852 1.904 48.991 1.00 0.00 ATOM 469 C HIS A 60 54.992 1.868 48.105 1.00 0.00 ATOM 470 N ARG A 61 55.156 2.369 46.891 1.00 0.00 ATOM 471 CA ARG A 61 56.388 3.081 46.498 1.00 0.00 ATOM 472 CB ARG A 61 57.283 2.233 45.606 1.00 0.00 ATOM 473 CG ARG A 61 58.562 2.916 45.149 1.00 0.00 ATOM 474 CD ARG A 61 59.473 2.045 44.364 1.00 0.00 ATOM 475 NE ARG A 61 60.682 2.705 43.895 1.00 0.00 ATOM 476 CZ ARG A 61 61.675 2.094 43.221 1.00 0.00 ATOM 477 NH1 ARG A 61 61.629 0.803 42.969 1.00 0.00 ATOM 478 NH2 ARG A 61 62.711 2.820 42.841 1.00 0.00 ATOM 479 O ARG A 61 55.304 4.504 44.900 1.00 0.00 ATOM 480 C ARG A 61 56.078 4.423 45.852 1.00 0.00 ATOM 481 N VAL A 62 56.878 5.397 46.253 1.00 0.00 ATOM 482 CA VAL A 62 56.766 6.759 45.730 1.00 0.00 ATOM 483 CB VAL A 62 55.930 7.596 46.715 1.00 0.00 ATOM 484 CG1 VAL A 62 55.903 9.050 46.285 1.00 0.00 ATOM 485 CG2 VAL A 62 54.471 7.135 46.796 1.00 0.00 ATOM 486 O VAL A 62 59.004 7.307 46.442 1.00 0.00 ATOM 487 C VAL A 62 58.176 7.309 45.537 1.00 0.00 ATOM 488 N VAL A 63 58.430 7.757 44.315 1.00 0.00 ATOM 489 CA VAL A 63 59.708 8.404 43.966 1.00 0.00 ATOM 490 CB VAL A 63 60.369 7.715 42.754 1.00 0.00 ATOM 491 CG1 VAL A 63 61.697 8.397 42.371 1.00 0.00 ATOM 492 CG2 VAL A 63 60.642 6.239 43.033 1.00 0.00 ATOM 493 O VAL A 63 58.716 10.207 42.739 1.00 0.00 ATOM 494 C VAL A 63 59.410 9.876 43.700 1.00 0.00 ATOM 495 N LYS A 64 60.022 10.736 44.524 1.00 0.00 ATOM 496 CA LYS A 64 59.876 12.194 44.325 1.00 0.00 ATOM 497 CB LYS A 64 60.570 12.961 45.452 1.00 0.00 ATOM 498 CG LYS A 64 60.405 14.473 45.379 1.00 0.00 ATOM 499 CD LYS A 64 61.052 15.158 46.573 1.00 0.00 ATOM 500 CE LYS A 64 60.878 16.670 46.506 1.00 0.00 ATOM 501 NZ LYS A 64 61.511 17.355 47.665 1.00 0.00 ATOM 502 O LYS A 64 61.507 12.097 42.563 1.00 0.00 ATOM 503 C LYS A 64 60.447 12.587 42.973 1.00 0.00 ATOM 504 N ASN A 65 59.701 13.431 42.280 1.00 0.00 ATOM 505 CA ASN A 65 60.044 13.901 40.919 1.00 0.00 ATOM 506 CB ASN A 65 61.332 14.704 40.918 1.00 0.00 ATOM 507 CG ASN A 65 61.218 16.031 41.614 1.00 0.00 ATOM 508 ND2 ASN A 65 62.342 16.539 42.049 1.00 0.00 ATOM 509 OD1 ASN A 65 60.136 16.624 41.690 1.00 0.00 ATOM 510 O ASN A 65 60.928 12.999 38.862 1.00 0.00 ATOM 511 C ASN A 65 60.183 12.820 39.837 1.00 0.00 ATOM 512 N PHE A 66 59.474 11.717 40.013 1.00 0.00 ATOM 513 CA PHE A 66 59.442 10.648 39.006 1.00 0.00 ATOM 514 CB PHE A 66 60.508 9.595 39.311 1.00 0.00 ATOM 515 CG PHE A 66 60.622 8.525 38.263 1.00 0.00 ATOM 516 CD1 PHE A 66 60.009 8.676 37.027 1.00 0.00 ATOM 517 CD2 PHE A 66 61.340 7.364 38.510 1.00 0.00 ATOM 518 CE1 PHE A 66 60.112 7.693 36.062 1.00 0.00 ATOM 519 CE2 PHE A 66 61.444 6.379 37.545 1.00 0.00 ATOM 520 CZ PHE A 66 60.830 6.544 36.321 1.00 0.00 ATOM 521 O PHE A 66 57.511 9.914 37.809 1.00 0.00 ATOM 522 C PHE A 66 58.081 9.958 38.898 1.00 0.00 ATOM 523 N MET A 67 57.755 9.167 39.922 1.00 0.00 ATOM 524 CA MET A 67 56.569 8.299 39.866 1.00 0.00 ATOM 525 CB MET A 67 56.873 7.043 39.050 1.00 0.00 ATOM 526 CG MET A 67 57.921 6.128 39.670 1.00 0.00 ATOM 527 SD MET A 67 58.410 4.787 38.569 1.00 0.00 ATOM 528 CE MET A 67 59.285 3.716 39.707 1.00 0.00 ATOM 529 O MET A 67 56.707 7.861 42.242 1.00 0.00 ATOM 530 C MET A 67 56.019 7.860 41.231 1.00 0.00 ATOM 531 N ILE A 68 54.821 7.299 41.136 1.00 0.00 ATOM 532 CA ILE A 68 54.172 6.548 42.221 1.00 0.00 ATOM 533 CB ILE A 68 52.915 7.273 42.738 1.00 0.00 ATOM 534 CG1 ILE A 68 51.818 7.263 41.671 1.00 0.00 ATOM 535 CG2 ILE A 68 53.254 8.699 43.145 1.00 0.00 ATOM 536 CD1 ILE A 68 50.488 7.792 42.159 1.00 0.00 ATOM 537 O ILE A 68 53.445 5.001 40.525 1.00 0.00 ATOM 538 C ILE A 68 53.816 5.152 41.691 1.00 0.00 ATOM 539 N GLN A 69 53.996 4.154 42.543 1.00 0.00 ATOM 540 CA GLN A 69 53.694 2.751 42.190 1.00 0.00 ATOM 541 CB GLN A 69 55.003 1.980 42.112 1.00 0.00 ATOM 542 CG GLN A 69 54.831 0.551 41.611 1.00 0.00 ATOM 543 CD GLN A 69 56.187 -0.135 41.504 1.00 0.00 ATOM 544 OE1 GLN A 69 57.192 0.472 41.187 1.00 0.00 ATOM 545 NE2 GLN A 69 56.190 -1.419 41.750 1.00 0.00 ATOM 546 O GLN A 69 52.904 2.227 44.409 1.00 0.00 ATOM 547 C GLN A 69 52.726 2.113 43.198 1.00 0.00 ATOM 548 N GLY A 70 51.790 1.369 42.607 1.00 0.00 ATOM 549 CA GLY A 70 50.796 0.583 43.349 1.00 0.00 ATOM 550 O GLY A 70 51.014 -1.026 41.554 1.00 0.00 ATOM 551 C GLY A 70 50.379 -0.655 42.549 1.00 0.00 ATOM 552 N GLY A 71 49.312 -1.269 43.036 1.00 0.00 ATOM 553 CA GLY A 71 48.714 -2.446 42.370 1.00 0.00 ATOM 554 O GLY A 71 48.611 -4.828 42.549 1.00 0.00 ATOM 555 C GLY A 71 49.107 -3.794 42.990 1.00 0.00 ATOM 556 N ASP A 72 49.923 -3.771 44.044 1.00 0.00 ATOM 557 CA ASP A 72 50.246 -5.023 44.761 1.00 0.00 ATOM 558 CB ASP A 72 51.644 -5.011 45.392 1.00 0.00 ATOM 559 CG ASP A 72 52.049 -6.378 45.967 1.00 0.00 ATOM 560 OD1 ASP A 72 51.209 -7.304 46.030 1.00 0.00 ATOM 561 OD2 ASP A 72 53.176 -6.477 46.492 1.00 0.00 ATOM 562 O ASP A 72 49.111 -4.846 46.912 1.00 0.00 ATOM 563 C ASP A 72 49.142 -5.350 45.783 1.00 0.00 ATOM 564 N PHE A 73 48.171 -6.135 45.340 1.00 0.00 ATOM 565 CA PHE A 73 47.014 -6.486 46.194 1.00 0.00 ATOM 566 CB PHE A 73 45.725 -6.609 45.361 1.00 0.00 ATOM 567 CG PHE A 73 45.856 -7.637 44.248 1.00 0.00 ATOM 568 CD1 PHE A 73 45.771 -8.984 44.506 1.00 0.00 ATOM 569 CD2 PHE A 73 46.037 -7.224 42.942 1.00 0.00 ATOM 570 CE1 PHE A 73 45.870 -9.958 43.521 1.00 0.00 ATOM 571 CE2 PHE A 73 46.108 -8.182 41.938 1.00 0.00 ATOM 572 CZ PHE A 73 46.034 -9.539 42.217 1.00 0.00 ATOM 573 O PHE A 73 46.340 -8.078 47.874 1.00 0.00 ATOM 574 C PHE A 73 47.190 -7.745 47.051 1.00 0.00 ATOM 575 N SER A 74 48.287 -8.459 46.802 1.00 0.00 ATOM 576 CA SER A 74 48.568 -9.729 47.492 1.00 0.00 ATOM 577 CB SER A 74 49.112 -10.747 46.510 1.00 0.00 ATOM 578 OG SER A 74 48.409 -10.737 45.298 1.00 0.00 ATOM 579 O SER A 74 49.211 -10.140 49.711 1.00 0.00 ATOM 580 C SER A 74 49.528 -9.613 48.643 1.00 0.00 ATOM 581 N GLU A 75 50.640 -8.952 48.349 1.00 0.00 ATOM 582 CA GLU A 75 51.711 -8.774 49.335 1.00 0.00 ATOM 583 CB GLU A 75 53.057 -9.198 48.746 1.00 0.00 ATOM 584 CG GLU A 75 53.133 -10.661 48.336 1.00 0.00 ATOM 585 CD GLU A 75 53.208 -11.562 49.537 1.00 0.00 ATOM 586 OE1 GLU A 75 53.391 -11.061 50.621 1.00 0.00 ATOM 587 OE2 GLU A 75 52.969 -12.737 49.391 1.00 0.00 ATOM 588 O GLU A 75 52.017 -7.036 50.994 1.00 0.00 ATOM 589 C GLU A 75 51.775 -7.311 49.817 1.00 0.00 ATOM 590 N GLY A 76 51.434 -6.388 48.935 1.00 0.00 ATOM 591 CA GLY A 76 51.438 -4.948 49.234 1.00 0.00 ATOM 592 O GLY A 76 52.864 -3.037 49.406 1.00 0.00 ATOM 593 C GLY A 76 52.806 -4.256 49.275 1.00 0.00 ATOM 594 N ASN A 77 53.885 -5.003 49.065 1.00 0.00 ATOM 595 CA ASN A 77 55.250 -4.430 49.132 1.00 0.00 ATOM 596 CB ASN A 77 56.064 -5.067 50.242 1.00 0.00 ATOM 597 CG ASN A 77 56.300 -6.540 50.052 1.00 0.00 ATOM 598 ND2 ASN A 77 56.968 -7.133 51.007 1.00 0.00 ATOM 599 OD1 ASN A 77 55.819 -7.146 49.087 1.00 0.00 ATOM 600 O ASN A 77 57.309 -4.375 47.853 1.00 0.00 ATOM 601 C ASN A 77 56.083 -4.515 47.835 1.00 0.00 ATOM 602 N GLY A 78 55.415 -4.799 46.721 1.00 0.00 ATOM 603 CA GLY A 78 56.064 -4.897 45.397 1.00 0.00 ATOM 604 O GLY A 78 56.842 -6.530 43.814 1.00 0.00 ATOM 605 C GLY A 78 56.366 -6.331 44.933 1.00 0.00 ATOM 606 N LYS A 79 56.318 -7.279 45.866 1.00 0.00 ATOM 607 CA LYS A 79 56.598 -8.704 45.573 1.00 0.00 ATOM 608 CB LYS A 79 57.125 -9.413 46.822 1.00 0.00 ATOM 609 CG LYS A 79 58.487 -8.926 47.295 1.00 0.00 ATOM 610 CD LYS A 79 58.944 -9.676 48.536 1.00 0.00 ATOM 611 CE LYS A 79 60.319 -9.212 48.989 1.00 0.00 ATOM 612 NZ LYS A 79 60.788 -9.954 50.192 1.00 0.00 ATOM 613 O LYS A 79 55.639 -10.534 44.393 1.00 0.00 ATOM 614 C LYS A 79 55.407 -9.512 45.042 1.00 0.00 ATOM 615 N GLY A 80 54.186 -9.028 45.260 1.00 0.00 ATOM 616 CA GLY A 80 52.977 -9.765 44.858 1.00 0.00 ATOM 617 O GLY A 80 52.748 -8.491 42.808 1.00 0.00 ATOM 618 C GLY A 80 52.198 -9.140 43.699 1.00 0.00 ATOM 619 N GLY A 81 50.912 -9.488 43.710 1.00 0.00 ATOM 620 CA GLY A 81 49.953 -9.121 42.666 1.00 0.00 ATOM 621 O GLY A 81 50.699 -11.109 41.500 1.00 0.00 ATOM 622 C GLY A 81 49.856 -10.211 41.600 1.00 0.00 ATOM 623 N GLU A 82 48.784 -10.130 40.818 1.00 0.00 ATOM 624 CA GLU A 82 48.465 -11.145 39.804 1.00 0.00 ATOM 625 CB GLU A 82 47.762 -12.339 40.466 1.00 0.00 ATOM 626 CG GLU A 82 47.362 -13.392 39.437 1.00 0.00 ATOM 627 CD GLU A 82 46.849 -14.728 39.959 1.00 0.00 ATOM 628 OE1 GLU A 82 46.654 -14.885 41.172 1.00 0.00 ATOM 629 OE2 GLU A 82 46.796 -15.665 39.132 1.00 0.00 ATOM 630 O GLU A 82 46.675 -9.754 39.139 1.00 0.00 ATOM 631 C GLU A 82 47.541 -10.531 38.752 1.00 0.00 ATOM 632 N SER A 83 47.773 -10.947 37.506 1.00 0.00 ATOM 633 CA SER A 83 46.882 -10.651 36.368 1.00 0.00 ATOM 634 CB SER A 83 47.591 -10.947 35.060 1.00 0.00 ATOM 635 OG SER A 83 46.739 -10.802 33.956 1.00 0.00 ATOM 636 O SER A 83 45.491 -12.575 36.833 1.00 0.00 ATOM 637 C SER A 83 45.557 -11.427 36.410 1.00 0.00 ATOM 638 N ILE A 84 44.548 -10.829 35.776 1.00 0.00 ATOM 639 CA ILE A 84 43.250 -11.512 35.567 1.00 0.00 ATOM 640 CB ILE A 84 42.202 -10.559 34.962 1.00 0.00 ATOM 641 CG1 ILE A 84 42.583 -10.191 33.526 1.00 0.00 ATOM 642 CG2 ILE A 84 42.064 -9.307 35.816 1.00 0.00 ATOM 643 CD1 ILE A 84 41.517 -9.408 32.793 1.00 0.00 ATOM 644 O ILE A 84 42.432 -13.539 34.546 1.00 0.00 ATOM 645 C ILE A 84 43.375 -12.749 34.649 1.00 0.00 ATOM 646 N TYR A 85 44.465 -12.835 33.897 1.00 0.00 ATOM 647 CA TYR A 85 44.764 -13.965 32.991 1.00 0.00 ATOM 648 CB TYR A 85 45.628 -13.497 31.818 1.00 0.00 ATOM 649 CG TYR A 85 44.990 -12.409 30.982 1.00 0.00 ATOM 650 CD1 TYR A 85 45.543 -11.141 30.920 1.00 0.00 ATOM 651 CD2 TYR A 85 43.835 -12.659 30.254 1.00 0.00 ATOM 652 CE1 TYR A 85 44.963 -10.144 30.158 1.00 0.00 ATOM 653 CE2 TYR A 85 43.248 -11.670 29.487 1.00 0.00 ATOM 654 CZ TYR A 85 43.815 -10.414 29.443 1.00 0.00 ATOM 655 OH TYR A 85 43.234 -9.426 28.680 1.00 0.00 ATOM 656 O TYR A 85 45.594 -16.258 33.189 1.00 0.00 ATOM 657 C TYR A 85 45.474 -15.147 33.699 1.00 0.00 ATOM 658 N GLY A 86 45.689 -14.998 34.998 1.00 0.00 ATOM 659 CA GLY A 86 46.439 -15.976 35.796 1.00 0.00 ATOM 660 O GLY A 86 48.414 -15.408 34.583 1.00 0.00 ATOM 661 C GLY A 86 47.917 -15.682 35.676 1.00 0.00 ATOM 662 N GLY A 87 48.556 -15.672 36.832 1.00 0.00 ATOM 663 CA GLY A 87 49.987 -15.331 36.975 1.00 0.00 ATOM 664 O GLY A 87 49.758 -12.939 36.714 1.00 0.00 ATOM 665 C GLY A 87 50.302 -13.975 36.338 1.00 0.00 ATOM 666 N TYR A 88 51.276 -14.002 35.440 1.00 0.00 ATOM 667 CA TYR A 88 51.743 -12.833 34.672 1.00 0.00 ATOM 668 CB TYR A 88 53.211 -12.540 34.986 1.00 0.00 ATOM 669 CG TYR A 88 53.496 -12.346 36.459 1.00 0.00 ATOM 670 CD1 TYR A 88 53.857 -13.417 37.263 1.00 0.00 ATOM 671 CD2 TYR A 88 53.406 -11.089 37.040 1.00 0.00 ATOM 672 CE1 TYR A 88 54.120 -13.244 38.608 1.00 0.00 ATOM 673 CE2 TYR A 88 53.666 -10.905 38.384 1.00 0.00 ATOM 674 CZ TYR A 88 54.022 -11.985 39.165 1.00 0.00 ATOM 675 OH TYR A 88 54.281 -11.807 40.505 1.00 0.00 ATOM 676 O TYR A 88 51.654 -14.154 32.607 1.00 0.00 ATOM 677 C TYR A 88 51.555 -13.061 33.158 1.00 0.00 ATOM 678 N PHE A 89 51.362 -11.951 32.460 1.00 0.00 ATOM 679 CA PHE A 89 51.093 -11.958 31.017 1.00 0.00 ATOM 680 CB PHE A 89 49.727 -11.307 30.725 1.00 0.00 ATOM 681 CG PHE A 89 49.663 -9.807 31.028 1.00 0.00 ATOM 682 CD1 PHE A 89 49.984 -8.901 30.045 1.00 0.00 ATOM 683 CD2 PHE A 89 49.258 -9.351 32.270 1.00 0.00 ATOM 684 CE1 PHE A 89 49.897 -7.546 30.292 1.00 0.00 ATOM 685 CE2 PHE A 89 49.167 -7.993 32.526 1.00 0.00 ATOM 686 CZ PHE A 89 49.485 -7.078 31.537 1.00 0.00 ATOM 687 O PHE A 89 53.117 -10.647 30.788 1.00 0.00 ATOM 688 C PHE A 89 52.238 -11.295 30.227 1.00 0.00 ATOM 689 N LYS A 90 52.202 -11.525 28.915 1.00 0.00 ATOM 690 CA LYS A 90 53.212 -10.986 27.984 1.00 0.00 ATOM 691 CB LYS A 90 53.150 -11.721 26.643 1.00 0.00 ATOM 692 CG LYS A 90 53.575 -13.183 26.707 1.00 0.00 ATOM 693 CD LYS A 90 53.499 -13.841 25.338 1.00 0.00 ATOM 694 CE LYS A 90 53.947 -15.294 25.396 1.00 0.00 ATOM 695 NZ LYS A 90 53.874 -15.952 24.063 1.00 0.00 ATOM 696 O LYS A 90 51.940 -8.950 27.681 1.00 0.00 ATOM 697 C LYS A 90 53.055 -9.484 27.741 1.00 0.00 ATOM 698 N ASP A 91 54.158 -8.850 27.406 1.00 0.00 ATOM 699 CA ASP A 91 54.145 -7.439 26.974 1.00 0.00 ATOM 700 CB ASP A 91 55.568 -6.875 26.938 1.00 0.00 ATOM 701 CG ASP A 91 56.227 -6.745 28.304 1.00 0.00 ATOM 702 OD1 ASP A 91 55.598 -6.230 29.199 1.00 0.00 ATOM 703 OD2 ASP A 91 57.285 -7.297 28.487 1.00 0.00 ATOM 704 O ASP A 91 53.733 -8.117 24.686 1.00 0.00 ATOM 705 C ASP A 91 53.480 -7.314 25.595 1.00 0.00 ATOM 706 N GLU A 92 52.566 -6.357 25.514 1.00 0.00 ATOM 707 CA GLU A 92 51.889 -5.977 24.266 1.00 0.00 ATOM 708 CB GLU A 92 50.575 -5.253 24.569 1.00 0.00 ATOM 709 CG GLU A 92 49.528 -6.112 25.263 1.00 0.00 ATOM 710 CD GLU A 92 49.087 -7.251 24.386 1.00 0.00 ATOM 711 OE1 GLU A 92 48.702 -7.001 23.270 1.00 0.00 ATOM 712 OE2 GLU A 92 49.241 -8.380 24.790 1.00 0.00 ATOM 713 O GLU A 92 53.894 -4.672 23.995 1.00 0.00 ATOM 714 C GLU A 92 52.864 -5.105 23.475 1.00 0.00 ATOM 715 N ASN A 93 52.513 -4.830 22.223 1.00 0.00 ATOM 716 CA ASN A 93 53.333 -3.919 21.412 1.00 0.00 ATOM 717 CB ASN A 93 52.721 -3.694 20.042 1.00 0.00 ATOM 718 CG ASN A 93 52.799 -4.893 19.138 1.00 0.00 ATOM 719 ND2 ASN A 93 52.013 -4.864 18.093 1.00 0.00 ATOM 720 OD1 ASN A 93 53.611 -5.801 19.346 1.00 0.00 ATOM 721 O ASN A 93 52.550 -1.912 22.437 1.00 0.00 ATOM 722 C ASN A 93 53.536 -2.588 22.135 1.00 0.00 ATOM 723 N PHE A 94 54.781 -2.164 22.275 1.00 0.00 ATOM 724 CA PHE A 94 55.077 -0.830 22.844 1.00 0.00 ATOM 725 CB PHE A 94 56.551 -0.735 23.245 1.00 0.00 ATOM 726 CG PHE A 94 56.959 -1.729 24.294 1.00 0.00 ATOM 727 CD1 PHE A 94 57.676 -2.865 23.951 1.00 0.00 ATOM 728 CD2 PHE A 94 56.625 -1.532 25.627 1.00 0.00 ATOM 729 CE1 PHE A 94 58.052 -3.781 24.916 1.00 0.00 ATOM 730 CE2 PHE A 94 57.000 -2.445 26.592 1.00 0.00 ATOM 731 CZ PHE A 94 57.715 -3.571 26.236 1.00 0.00 ATOM 732 O PHE A 94 55.599 0.966 21.301 1.00 0.00 ATOM 733 C PHE A 94 54.734 0.303 21.867 1.00 0.00 ATOM 734 N ILE A 95 53.438 0.491 21.660 1.00 0.00 ATOM 735 CA ILE A 95 52.894 1.625 20.875 1.00 0.00 ATOM 736 CB ILE A 95 51.387 1.455 20.608 1.00 0.00 ATOM 737 CG1 ILE A 95 51.125 0.169 19.820 1.00 0.00 ATOM 738 CG2 ILE A 95 50.841 2.662 19.860 1.00 0.00 ATOM 739 CD1 ILE A 95 51.773 0.147 18.456 1.00 0.00 ATOM 740 O ILE A 95 53.740 3.865 21.096 1.00 0.00 ATOM 741 C ILE A 95 53.166 2.928 21.653 1.00 0.00 ATOM 742 N LEU A 96 52.365 3.073 22.699 1.00 0.00 ATOM 743 CA LEU A 96 52.382 4.241 23.584 1.00 0.00 ATOM 744 CB LEU A 96 51.268 4.128 24.633 1.00 0.00 ATOM 745 CG LEU A 96 49.854 4.418 24.115 1.00 0.00 ATOM 746 CD1 LEU A 96 48.821 3.942 25.130 1.00 0.00 ATOM 747 CD2 LEU A 96 49.703 5.908 23.852 1.00 0.00 ATOM 748 O LEU A 96 54.386 3.403 24.611 1.00 0.00 ATOM 749 C LEU A 96 53.753 4.386 24.263 1.00 0.00 ATOM 750 N LYS A 97 54.148 5.648 24.370 1.00 0.00 ATOM 751 CA LYS A 97 55.440 6.049 24.936 1.00 0.00 ATOM 752 CB LYS A 97 56.312 6.708 23.867 1.00 0.00 ATOM 753 CG LYS A 97 56.738 5.777 22.739 1.00 0.00 ATOM 754 CD LYS A 97 57.622 6.497 21.731 1.00 0.00 ATOM 755 CE LYS A 97 58.062 5.561 20.615 1.00 0.00 ATOM 756 NZ LYS A 97 58.946 6.245 19.632 1.00 0.00 ATOM 757 O LYS A 97 54.267 7.693 26.254 1.00 0.00 ATOM 758 C LYS A 97 55.283 6.998 26.122 1.00 0.00 ATOM 759 N HIS A 98 56.317 7.025 26.955 1.00 0.00 ATOM 760 CA HIS A 98 56.415 7.933 28.105 1.00 0.00 ATOM 761 CB HIS A 98 57.371 7.367 29.161 1.00 0.00 ATOM 762 CG HIS A 98 56.928 6.056 29.734 1.00 0.00 ATOM 763 CD2 HIS A 98 56.347 5.751 30.917 1.00 0.00 ATOM 764 ND1 HIS A 98 57.067 4.863 29.056 1.00 0.00 ATOM 765 CE1 HIS A 98 56.593 3.880 29.800 1.00 0.00 ATOM 766 NE2 HIS A 98 56.149 4.391 30.933 1.00 0.00 ATOM 767 O HIS A 98 57.792 9.929 28.249 1.00 0.00 ATOM 768 C HIS A 98 56.881 9.330 27.667 1.00 0.00 ATOM 769 N ASP A 99 56.032 9.921 26.835 1.00 0.00 ATOM 770 CA ASP A 99 56.337 11.211 26.191 1.00 0.00 ATOM 771 CB ASP A 99 55.707 11.277 24.798 1.00 0.00 ATOM 772 CG ASP A 99 56.368 10.375 23.764 1.00 0.00 ATOM 773 OD1 ASP A 99 57.457 9.916 24.017 1.00 0.00 ATOM 774 OD2 ASP A 99 55.719 10.026 22.808 1.00 0.00 ATOM 775 O ASP A 99 56.039 13.555 26.505 1.00 0.00 ATOM 776 C ASP A 99 55.883 12.435 26.978 1.00 0.00 ATOM 777 N ARG A 100 55.127 12.219 28.052 1.00 0.00 ATOM 778 CA ARG A 100 54.588 13.296 28.916 1.00 0.00 ATOM 779 CB ARG A 100 53.368 13.968 28.302 1.00 0.00 ATOM 780 CG ARG A 100 52.159 13.062 28.126 1.00 0.00 ATOM 781 CD ARG A 100 51.064 13.651 27.315 1.00 0.00 ATOM 782 NE ARG A 100 51.376 13.804 25.904 1.00 0.00 ATOM 783 CZ ARG A 100 50.557 14.370 24.996 1.00 0.00 ATOM 784 NH1 ARG A 100 49.363 14.802 25.337 1.00 0.00 ATOM 785 NH2 ARG A 100 50.975 14.455 23.745 1.00 0.00 ATOM 786 O ARG A 100 54.226 11.607 30.594 1.00 0.00 ATOM 787 C ARG A 100 54.282 12.811 30.334 1.00 0.00 ATOM 788 N ALA A 101 54.130 13.751 31.248 1.00 0.00 ATOM 789 CA ALA A 101 53.787 13.440 32.637 1.00 0.00 ATOM 790 CB ALA A 101 53.841 14.723 33.466 1.00 0.00 ATOM 791 O ALA A 101 51.532 12.933 31.903 1.00 0.00 ATOM 792 C ALA A 101 52.404 12.808 32.766 1.00 0.00 ATOM 793 N PHE A 102 52.291 12.018 33.823 1.00 0.00 ATOM 794 CA PHE A 102 51.042 11.357 34.260 1.00 0.00 ATOM 795 CB PHE A 102 49.943 12.364 34.618 1.00 0.00 ATOM 796 CG PHE A 102 50.436 13.431 35.583 1.00 0.00 ATOM 797 CD1 PHE A 102 50.784 14.669 35.082 1.00 0.00 ATOM 798 CD2 PHE A 102 50.552 13.188 36.929 1.00 0.00 ATOM 799 CE1 PHE A 102 51.211 15.680 35.940 1.00 0.00 ATOM 800 CE2 PHE A 102 50.983 14.190 37.791 1.00 0.00 ATOM 801 CZ PHE A 102 51.307 15.446 37.296 1.00 0.00 ATOM 802 O PHE A 102 49.313 10.225 32.947 1.00 0.00 ATOM 803 C PHE A 102 50.506 10.337 33.235 1.00 0.00 ATOM 804 N LEU A 103 51.458 9.566 32.750 1.00 0.00 ATOM 805 CA LEU A 103 51.172 8.373 31.941 1.00 0.00 ATOM 806 CB LEU A 103 52.266 8.190 30.886 1.00 0.00 ATOM 807 CG LEU A 103 52.214 9.265 29.791 1.00 0.00 ATOM 808 CD1 LEU A 103 53.461 9.192 28.926 1.00 0.00 ATOM 809 CD2 LEU A 103 51.033 9.023 28.855 1.00 0.00 ATOM 810 O LEU A 103 51.735 7.141 33.942 1.00 0.00 ATOM 811 C LEU A 103 51.092 7.170 32.886 1.00 0.00 ATOM 812 N LEU A 104 50.174 6.269 32.553 1.00 0.00 ATOM 813 CA LEU A 104 49.978 5.019 33.307 1.00 0.00 ATOM 814 CB LEU A 104 48.481 4.741 33.496 1.00 0.00 ATOM 815 CG LEU A 104 48.146 3.440 34.235 1.00 0.00 ATOM 816 CD1 LEU A 104 48.666 3.504 35.665 1.00 0.00 ATOM 817 CD2 LEU A 104 46.642 3.216 34.217 1.00 0.00 ATOM 818 O LEU A 104 50.340 3.540 31.433 1.00 0.00 ATOM 819 C LEU A 104 50.660 3.857 32.587 1.00 0.00 ATOM 820 N SER A 105 51.649 3.305 33.278 1.00 0.00 ATOM 821 CA SER A 105 52.471 2.205 32.758 1.00 0.00 ATOM 822 CB SER A 105 53.892 2.680 32.523 1.00 0.00 ATOM 823 OG SER A 105 53.952 3.707 31.571 1.00 0.00 ATOM 824 O SER A 105 52.310 1.087 34.889 1.00 0.00 ATOM 825 C SER A 105 52.494 0.980 33.679 1.00 0.00 ATOM 826 N MET A 106 52.772 -0.159 33.046 1.00 0.00 ATOM 827 CA MET A 106 52.949 -1.429 33.767 1.00 0.00 ATOM 828 CB MET A 106 52.721 -2.602 32.816 1.00 0.00 ATOM 829 CG MET A 106 51.273 -2.808 32.376 1.00 0.00 ATOM 830 SD MET A 106 50.132 -2.988 33.796 1.00 0.00 ATOM 831 CE MET A 106 50.688 -4.511 34.532 1.00 0.00 ATOM 832 O MET A 106 55.364 -1.165 33.870 1.00 0.00 ATOM 833 C MET A 106 54.336 -1.540 34.422 1.00 0.00 ATOM 834 N ALA A 107 54.313 -1.786 35.726 1.00 0.00 ATOM 835 CA ALA A 107 55.540 -2.199 36.440 1.00 0.00 ATOM 836 CB ALA A 107 55.364 -1.964 37.938 1.00 0.00 ATOM 837 O ALA A 107 54.863 -4.412 35.851 1.00 0.00 ATOM 838 C ALA A 107 55.804 -3.674 36.133 1.00 0.00 ATOM 839 N ASN A 108 57.065 -4.079 36.106 1.00 0.00 ATOM 840 CA ASN A 108 57.437 -5.480 35.816 1.00 0.00 ATOM 841 CB ASN A 108 57.491 -5.740 34.321 1.00 0.00 ATOM 842 CG ASN A 108 58.488 -4.882 33.593 1.00 0.00 ATOM 843 ND2 ASN A 108 57.988 -4.084 32.684 1.00 0.00 ATOM 844 OD1 ASN A 108 59.685 -4.889 33.901 1.00 0.00 ATOM 845 O ASN A 108 59.472 -5.037 37.067 1.00 0.00 ATOM 846 C ASN A 108 58.776 -5.849 36.465 1.00 0.00 ATOM 847 N ARG A 109 59.061 -7.138 36.338 1.00 0.00 ATOM 848 CA ARG A 109 60.345 -7.720 36.777 1.00 0.00 ATOM 849 CB ARG A 109 60.157 -8.775 37.857 1.00 0.00 ATOM 850 CG ARG A 109 59.533 -8.267 39.148 1.00 0.00 ATOM 851 CD ARG A 109 59.334 -9.312 40.185 1.00 0.00 ATOM 852 NE ARG A 109 60.556 -9.956 40.633 1.00 0.00 ATOM 853 CZ ARG A 109 60.603 -11.102 41.340 1.00 0.00 ATOM 854 NH1 ARG A 109 59.501 -11.713 41.712 1.00 0.00 ATOM 855 NH2 ARG A 109 61.789 -11.584 41.670 1.00 0.00 ATOM 856 O ARG A 109 61.780 -9.354 35.770 1.00 0.00 ATOM 857 C ARG A 109 61.195 -8.293 35.629 1.00 0.00 ATOM 858 N GLY A 110 61.097 -7.679 34.457 1.00 0.00 ATOM 859 CA GLY A 110 61.768 -8.129 33.216 1.00 0.00 ATOM 860 O GLY A 110 59.601 -7.922 32.216 1.00 0.00 ATOM 861 C GLY A 110 60.760 -8.286 32.068 1.00 0.00 ATOM 862 N LYS A 111 61.239 -8.819 30.945 1.00 0.00 ATOM 863 CA LYS A 111 60.377 -9.049 29.754 1.00 0.00 ATOM 864 CB LYS A 111 61.208 -9.589 28.589 1.00 0.00 ATOM 865 CG LYS A 111 62.216 -8.598 28.022 1.00 0.00 ATOM 866 CD LYS A 111 62.983 -9.196 26.853 1.00 0.00 ATOM 867 CE LYS A 111 64.026 -8.224 26.319 1.00 0.00 ATOM 868 NZ LYS A 111 64.789 -8.798 25.178 1.00 0.00 ATOM 869 O LYS A 111 59.485 -11.064 30.666 1.00 0.00 ATOM 870 C LYS A 111 59.233 -10.016 30.076 1.00 0.00 ATOM 871 N HIS A 112 58.039 -9.673 29.611 1.00 0.00 ATOM 872 CA HIS A 112 56.828 -10.520 29.710 1.00 0.00 ATOM 873 CB HIS A 112 56.982 -11.785 28.860 1.00 0.00 ATOM 874 CG HIS A 112 57.240 -11.508 27.411 1.00 0.00 ATOM 875 CD2 HIS A 112 58.311 -11.778 26.629 1.00 0.00 ATOM 876 ND1 HIS A 112 56.322 -10.876 26.599 1.00 0.00 ATOM 877 CE1 HIS A 112 56.819 -10.769 25.379 1.00 0.00 ATOM 878 NE2 HIS A 112 58.024 -11.308 25.371 1.00 0.00 ATOM 879 O HIS A 112 56.332 -12.103 31.485 1.00 0.00 ATOM 880 C HIS A 112 56.486 -10.931 31.157 1.00 0.00 ATOM 881 N THR A 113 56.508 -9.950 32.047 1.00 0.00 ATOM 882 CA THR A 113 56.231 -10.230 33.471 1.00 0.00 ATOM 883 CB THR A 113 57.489 -10.297 34.351 1.00 0.00 ATOM 884 CG2 THR A 113 58.436 -11.426 33.936 1.00 0.00 ATOM 885 OG1 THR A 113 58.136 -9.026 34.428 1.00 0.00 ATOM 886 O THR A 113 55.269 -8.953 35.280 1.00 0.00 ATOM 887 C THR A 113 55.207 -9.288 34.084 1.00 0.00 ATOM 888 N ASN A 114 54.168 -9.007 33.297 1.00 0.00 ATOM 889 CA ASN A 114 53.116 -8.092 33.743 1.00 0.00 ATOM 890 CB ASN A 114 52.486 -7.358 32.572 1.00 0.00 ATOM 891 CG ASN A 114 53.404 -6.366 31.916 1.00 0.00 ATOM 892 ND2 ASN A 114 53.078 -6.017 30.698 1.00 0.00 ATOM 893 OD1 ASN A 114 54.354 -5.866 32.531 1.00 0.00 ATOM 894 O ASN A 114 51.440 -9.778 34.141 1.00 0.00 ATOM 895 C ASN A 114 52.013 -8.779 34.550 1.00 0.00 ATOM 896 N GLY A 115 51.750 -8.186 35.699 1.00 0.00 ATOM 897 CA GLY A 115 50.799 -8.693 36.695 1.00 0.00 ATOM 898 O GLY A 115 49.048 -7.226 35.964 1.00 0.00 ATOM 899 C GLY A 115 49.705 -7.655 36.905 1.00 0.00 ATOM 900 N SER A 116 49.749 -7.111 38.104 1.00 0.00 ATOM 901 CA SER A 116 48.791 -6.069 38.519 1.00 0.00 ATOM 902 CB SER A 116 47.934 -6.540 39.677 1.00 0.00 ATOM 903 OG SER A 116 48.764 -6.991 40.745 1.00 0.00 ATOM 904 O SER A 116 48.739 -3.719 38.940 1.00 0.00 ATOM 905 C SER A 116 49.427 -4.731 38.894 1.00 0.00 ATOM 906 N GLN A 117 50.736 -4.744 39.130 1.00 0.00 ATOM 907 CA GLN A 117 51.470 -3.540 39.539 1.00 0.00 ATOM 908 CB GLN A 117 52.843 -3.887 40.116 1.00 0.00 ATOM 909 CG GLN A 117 52.718 -4.462 41.527 1.00 0.00 ATOM 910 CD GLN A 117 54.116 -4.770 42.068 1.00 0.00 ATOM 911 OE1 GLN A 117 54.905 -3.899 42.417 1.00 0.00 ATOM 912 NE2 GLN A 117 54.452 -6.026 42.060 1.00 0.00 ATOM 913 O GLN A 117 52.115 -2.906 37.294 1.00 0.00 ATOM 914 C GLN A 117 51.662 -2.558 38.386 1.00 0.00 ATOM 915 N PHE A 118 51.412 -1.295 38.712 1.00 0.00 ATOM 916 CA PHE A 118 51.554 -0.170 37.777 1.00 0.00 ATOM 917 CB PHE A 118 50.211 0.278 37.192 1.00 0.00 ATOM 918 CG PHE A 118 49.206 0.727 38.260 1.00 0.00 ATOM 919 CD1 PHE A 118 49.235 2.059 38.629 1.00 0.00 ATOM 920 CD2 PHE A 118 48.288 -0.152 38.838 1.00 0.00 ATOM 921 CE1 PHE A 118 48.346 2.528 39.585 1.00 0.00 ATOM 922 CE2 PHE A 118 47.406 0.331 39.791 1.00 0.00 ATOM 923 CZ PHE A 118 47.430 1.665 40.169 1.00 0.00 ATOM 924 O PHE A 118 52.286 1.112 39.693 1.00 0.00 ATOM 925 C PHE A 118 52.206 1.025 38.462 1.00 0.00 ATOM 926 N PHE A 119 52.622 1.949 37.601 1.00 0.00 ATOM 927 CA PHE A 119 53.129 3.242 38.055 1.00 0.00 ATOM 928 CB PHE A 119 54.657 3.218 38.134 1.00 0.00 ATOM 929 CG PHE A 119 55.345 2.995 36.790 1.00 0.00 ATOM 930 CD1 PHE A 119 55.772 4.091 36.051 1.00 0.00 ATOM 931 CD2 PHE A 119 55.589 1.703 36.344 1.00 0.00 ATOM 932 CE1 PHE A 119 56.451 3.883 34.860 1.00 0.00 ATOM 933 CE2 PHE A 119 56.271 1.516 35.146 1.00 0.00 ATOM 934 CZ PHE A 119 56.716 2.597 34.410 1.00 0.00 ATOM 935 O PHE A 119 52.153 4.212 36.056 1.00 0.00 ATOM 936 C PHE A 119 52.597 4.398 37.188 1.00 0.00 ATOM 937 N ILE A 120 52.535 5.530 37.858 1.00 0.00 ATOM 938 CA ILE A 120 52.166 6.815 37.236 1.00 0.00 ATOM 939 CB ILE A 120 51.003 7.493 37.985 1.00 0.00 ATOM 940 CG1 ILE A 120 49.704 6.713 37.772 1.00 0.00 ATOM 941 CG2 ILE A 120 50.845 8.934 37.529 1.00 0.00 ATOM 942 CD1 ILE A 120 49.292 5.875 38.960 1.00 0.00 ATOM 943 O ILE A 120 53.978 7.920 38.321 1.00 0.00 ATOM 944 C ILE A 120 53.426 7.678 37.249 1.00 0.00 ATOM 945 N THR A 121 53.838 8.113 36.072 1.00 0.00 ATOM 946 CA THR A 121 54.999 9.033 35.971 1.00 0.00 ATOM 947 CB THR A 121 55.665 8.951 34.585 1.00 0.00 ATOM 948 CG2 THR A 121 56.118 7.529 34.295 1.00 0.00 ATOM 949 OG1 THR A 121 54.733 9.367 33.578 1.00 0.00 ATOM 950 O THR A 121 53.375 10.818 36.103 1.00 0.00 ATOM 951 C THR A 121 54.544 10.466 36.245 1.00 0.00 ATOM 952 N THR A 122 55.525 11.303 36.525 1.00 0.00 ATOM 953 CA THR A 122 55.292 12.737 36.803 1.00 0.00 ATOM 954 CB THR A 122 55.594 13.042 38.267 1.00 0.00 ATOM 955 CG2 THR A 122 54.601 12.358 39.207 1.00 0.00 ATOM 956 OG1 THR A 122 56.945 12.686 38.592 1.00 0.00 ATOM 957 O THR A 122 55.858 14.830 35.705 1.00 0.00 ATOM 958 C THR A 122 56.092 13.636 35.847 1.00 0.00 ATOM 959 N LYS A 123 56.957 12.993 35.078 1.00 0.00 ATOM 960 CA LYS A 123 57.758 13.622 34.015 1.00 0.00 ATOM 961 CB LYS A 123 59.113 14.073 34.561 1.00 0.00 ATOM 962 CG LYS A 123 60.001 12.937 35.055 1.00 0.00 ATOM 963 CD LYS A 123 61.313 13.464 35.614 1.00 0.00 ATOM 964 CE LYS A 123 62.197 12.331 36.117 1.00 0.00 ATOM 965 NZ LYS A 123 63.516 12.825 36.595 1.00 0.00 ATOM 966 O LYS A 123 57.804 11.410 33.105 1.00 0.00 ATOM 967 C LYS A 123 57.913 12.612 32.872 1.00 0.00 ATOM 968 N PRO A 124 58.253 13.081 31.672 1.00 0.00 ATOM 969 CA PRO A 124 58.497 12.194 30.519 1.00 0.00 ATOM 970 CB PRO A 124 58.756 13.131 29.344 1.00 0.00 ATOM 971 CG PRO A 124 57.964 14.349 29.793 1.00 0.00 ATOM 972 CD PRO A 124 58.284 14.484 31.264 1.00 0.00 ATOM 973 O PRO A 124 60.591 11.695 31.581 1.00 0.00 ATOM 974 C PRO A 124 59.703 11.309 30.823 1.00 0.00 ATOM 975 N ALA A 125 59.579 10.074 30.363 1.00 0.00 ATOM 976 CA ALA A 125 60.573 9.010 30.635 1.00 0.00 ATOM 977 CB ALA A 125 60.159 8.248 31.897 1.00 0.00 ATOM 978 O ALA A 125 60.431 6.901 29.470 1.00 0.00 ATOM 979 C ALA A 125 60.728 8.095 29.402 1.00 0.00 ATOM 980 N PRO A 126 61.296 8.625 28.317 1.00 0.00 ATOM 981 CA PRO A 126 61.528 7.853 27.074 1.00 0.00 ATOM 982 CB PRO A 126 62.158 8.853 26.115 1.00 0.00 ATOM 983 CG PRO A 126 62.847 9.823 27.069 1.00 0.00 ATOM 984 CD PRO A 126 61.850 9.977 28.205 1.00 0.00 ATOM 985 O PRO A 126 62.250 5.619 26.570 1.00 0.00 ATOM 986 C PRO A 126 62.429 6.622 27.252 1.00 0.00 ATOM 987 N HIS A 127 63.331 6.655 28.238 1.00 0.00 ATOM 988 CA HIS A 127 64.217 5.503 28.557 1.00 0.00 ATOM 989 CB HIS A 127 65.139 5.840 29.733 1.00 0.00 ATOM 990 CG HIS A 127 66.207 6.833 29.394 1.00 0.00 ATOM 991 CD2 HIS A 127 66.442 8.083 29.861 1.00 0.00 ATOM 992 ND1 HIS A 127 67.194 6.579 28.466 1.00 0.00 ATOM 993 CE1 HIS A 127 67.991 7.630 28.376 1.00 0.00 ATOM 994 NE2 HIS A 127 67.556 8.555 29.212 1.00 0.00 ATOM 995 O HIS A 127 63.925 3.101 28.696 1.00 0.00 ATOM 996 C HIS A 127 63.433 4.213 28.885 1.00 0.00 ATOM 997 N LEU A 128 62.259 4.420 29.474 1.00 0.00 ATOM 998 CA LEU A 128 61.327 3.330 29.815 1.00 0.00 ATOM 999 CB LEU A 128 60.273 3.826 30.811 1.00 0.00 ATOM 1000 CG LEU A 128 60.830 4.386 32.127 1.00 0.00 ATOM 1001 CD1 LEU A 128 59.698 4.947 32.977 1.00 0.00 ATOM 1002 CD2 LEU A 128 61.573 3.288 32.874 1.00 0.00 ATOM 1003 O LEU A 128 60.010 1.624 28.743 1.00 0.00 ATOM 1004 C LEU A 128 60.598 2.698 28.624 1.00 0.00 ATOM 1005 N ASP A 129 60.633 3.395 27.490 1.00 0.00 ATOM 1006 CA ASP A 129 59.960 2.920 26.263 1.00 0.00 ATOM 1007 CB ASP A 129 60.066 3.968 25.152 1.00 0.00 ATOM 1008 CG ASP A 129 59.182 5.191 25.356 1.00 0.00 ATOM 1009 OD1 ASP A 129 58.355 5.161 26.236 1.00 0.00 ATOM 1010 OD2 ASP A 129 59.445 6.198 24.742 1.00 0.00 ATOM 1011 O ASP A 129 61.750 1.364 25.880 1.00 0.00 ATOM 1012 C ASP A 129 60.551 1.589 25.788 1.00 0.00 ATOM 1013 N GLY A 130 59.662 0.704 25.372 1.00 0.00 ATOM 1014 CA GLY A 130 60.014 -0.663 24.932 1.00 0.00 ATOM 1015 O GLY A 130 60.808 -2.723 25.835 1.00 0.00 ATOM 1016 C GLY A 130 60.337 -1.618 26.084 1.00 0.00 ATOM 1017 N VAL A 131 60.185 -1.144 27.315 1.00 0.00 ATOM 1018 CA VAL A 131 60.425 -1.940 28.535 1.00 0.00 ATOM 1019 CB VAL A 131 61.483 -1.281 29.442 1.00 0.00 ATOM 1020 CG1 VAL A 131 61.646 -2.072 30.731 1.00 0.00 ATOM 1021 CG2 VAL A 131 62.814 -1.171 28.713 1.00 0.00 ATOM 1022 O VAL A 131 58.801 -3.187 29.833 1.00 0.00 ATOM 1023 C VAL A 131 59.102 -2.111 29.307 1.00 0.00 ATOM 1024 N HIS A 132 58.407 -0.995 29.465 1.00 0.00 ATOM 1025 CA HIS A 132 57.140 -0.923 30.205 1.00 0.00 ATOM 1026 CB HIS A 132 57.249 0.122 31.314 1.00 0.00 ATOM 1027 CG HIS A 132 58.292 -0.241 32.375 1.00 0.00 ATOM 1028 CD2 HIS A 132 59.539 0.193 32.420 1.00 0.00 ATOM 1029 ND1 HIS A 132 58.098 -1.038 33.407 1.00 0.00 ATOM 1030 CE1 HIS A 132 59.229 -1.132 34.096 1.00 0.00 ATOM 1031 NE2 HIS A 132 60.118 -0.371 33.473 1.00 0.00 ATOM 1032 O HIS A 132 56.096 0.450 28.526 1.00 0.00 ATOM 1033 C HIS A 132 56.004 -0.539 29.254 1.00 0.00 ATOM 1034 N VAL A 133 54.943 -1.340 29.283 1.00 0.00 ATOM 1035 CA VAL A 133 53.736 -1.078 28.468 1.00 0.00 ATOM 1036 CB VAL A 133 52.838 -2.326 28.371 1.00 0.00 ATOM 1037 CG1 VAL A 133 51.576 -2.014 27.580 1.00 0.00 ATOM 1038 CG2 VAL A 133 53.595 -3.479 27.729 1.00 0.00 ATOM 1039 O VAL A 133 52.360 -0.003 30.143 1.00 0.00 ATOM 1040 C VAL A 133 52.929 0.086 29.054 1.00 0.00 ATOM 1041 N VAL A 134 52.863 1.146 28.260 1.00 0.00 ATOM 1042 CA VAL A 134 51.980 2.294 28.549 1.00 0.00 ATOM 1043 CB VAL A 134 52.433 3.601 27.855 1.00 0.00 ATOM 1044 CG1 VAL A 134 51.590 4.808 28.295 1.00 0.00 ATOM 1045 CG2 VAL A 134 53.910 3.913 28.089 1.00 0.00 ATOM 1046 O VAL A 134 50.448 1.517 26.863 1.00 0.00 ATOM 1047 C VAL A 134 50.601 1.932 28.008 1.00 0.00 ATOM 1048 N PHE A 135 49.595 2.165 28.845 1.00 0.00 ATOM 1049 CA PHE A 135 48.202 1.863 28.429 1.00 0.00 ATOM 1050 CB PHE A 135 47.829 0.438 28.841 1.00 0.00 ATOM 1051 CG PHE A 135 47.737 0.288 30.356 1.00 0.00 ATOM 1052 CD1 PHE A 135 48.855 -0.022 31.122 1.00 0.00 ATOM 1053 CD2 PHE A 135 46.506 0.475 30.971 1.00 0.00 ATOM 1054 CE1 PHE A 135 48.741 -0.159 32.495 1.00 0.00 ATOM 1055 CE2 PHE A 135 46.405 0.354 32.345 1.00 0.00 ATOM 1056 CZ PHE A 135 47.511 0.027 33.110 1.00 0.00 ATOM 1057 O PHE A 135 45.968 2.746 28.414 1.00 0.00 ATOM 1058 C PHE A 135 47.122 2.875 28.829 1.00 0.00 ATOM 1059 N GLY A 136 47.531 3.895 29.582 1.00 0.00 ATOM 1060 CA GLY A 136 46.602 4.933 30.059 1.00 0.00 ATOM 1061 O GLY A 136 48.496 6.431 30.308 1.00 0.00 ATOM 1062 C GLY A 136 47.268 6.281 30.317 1.00 0.00 ATOM 1063 N LEU A 137 46.397 7.257 30.564 1.00 0.00 ATOM 1064 CA LEU A 137 46.775 8.634 30.904 1.00 0.00 ATOM 1065 CB LEU A 137 46.708 9.508 29.637 1.00 0.00 ATOM 1066 CG LEU A 137 47.043 10.987 29.862 1.00 0.00 ATOM 1067 CD1 LEU A 137 48.535 11.224 30.105 1.00 0.00 ATOM 1068 CD2 LEU A 137 46.554 11.823 28.693 1.00 0.00 ATOM 1069 O LEU A 137 44.596 9.080 31.816 1.00 0.00 ATOM 1070 C LEU A 137 45.809 9.194 31.953 1.00 0.00 ATOM 1071 N VAL A 138 46.392 9.853 32.958 1.00 0.00 ATOM 1072 CA VAL A 138 45.594 10.598 33.945 1.00 0.00 ATOM 1073 CB VAL A 138 46.450 11.047 35.144 1.00 0.00 ATOM 1074 CG1 VAL A 138 45.632 11.912 36.090 1.00 0.00 ATOM 1075 CG2 VAL A 138 47.010 9.838 35.880 1.00 0.00 ATOM 1076 O VAL A 138 45.643 12.656 32.676 1.00 0.00 ATOM 1077 C VAL A 138 44.966 11.810 33.256 1.00 0.00 ATOM 1078 N ILE A 139 43.662 11.921 33.478 1.00 0.00 ATOM 1079 CA ILE A 139 42.863 12.990 32.869 1.00 0.00 ATOM 1080 CB ILE A 139 41.567 12.441 32.245 1.00 0.00 ATOM 1081 CG1 ILE A 139 41.890 11.378 31.191 1.00 0.00 ATOM 1082 CG2 ILE A 139 40.752 13.570 31.634 1.00 0.00 ATOM 1083 CD1 ILE A 139 42.748 11.886 30.055 1.00 0.00 ATOM 1084 O ILE A 139 42.164 15.207 33.482 1.00 0.00 ATOM 1085 C ILE A 139 42.492 14.086 33.878 1.00 0.00 ATOM 1086 N SER A 140 42.284 13.654 35.118 1.00 0.00 ATOM 1087 CA SER A 140 41.878 14.510 36.237 1.00 0.00 ATOM 1088 CB SER A 140 40.357 14.613 36.261 1.00 0.00 ATOM 1089 OG SER A 140 39.912 15.427 37.351 1.00 0.00 ATOM 1090 O SER A 140 42.593 12.721 37.650 1.00 0.00 ATOM 1091 C SER A 140 42.413 13.927 37.542 1.00 0.00 ATOM 1092 N GLY A 141 42.686 14.821 38.491 1.00 0.00 ATOM 1093 CA GLY A 141 43.265 14.460 39.801 1.00 0.00 ATOM 1094 O GLY A 141 45.347 13.561 40.608 1.00 0.00 ATOM 1095 C GLY A 141 44.783 14.196 39.725 1.00 0.00 ATOM 1096 N PHE A 142 45.431 14.857 38.763 1.00 0.00 ATOM 1097 CA PHE A 142 46.891 14.835 38.645 1.00 0.00 ATOM 1098 CB PHE A 142 47.373 15.527 37.359 1.00 0.00 ATOM 1099 CG PHE A 142 47.235 17.046 37.411 1.00 0.00 ATOM 1100 CD1 PHE A 142 48.287 17.805 37.903 1.00 0.00 ATOM 1101 CD2 PHE A 142 46.060 17.673 36.999 1.00 0.00 ATOM 1102 CE1 PHE A 142 48.167 19.183 37.987 1.00 0.00 ATOM 1103 CE2 PHE A 142 45.945 19.047 37.076 1.00 0.00 ATOM 1104 CZ PHE A 142 46.993 19.809 37.576 1.00 0.00 ATOM 1105 O PHE A 142 48.628 15.002 40.310 1.00 0.00 ATOM 1106 C PHE A 142 47.576 15.459 39.875 1.00 0.00 ATOM 1107 N GLU A 143 46.881 16.421 40.492 1.00 0.00 ATOM 1108 CA GLU A 143 47.356 17.084 41.723 1.00 0.00 ATOM 1109 CB GLU A 143 46.459 18.275 42.070 1.00 0.00 ATOM 1110 CG GLU A 143 46.587 19.456 41.120 1.00 0.00 ATOM 1111 CD GLU A 143 45.596 20.536 41.453 1.00 0.00 ATOM 1112 OE1 GLU A 143 44.803 20.334 42.341 1.00 0.00 ATOM 1113 OE2 GLU A 143 45.703 21.605 40.900 1.00 0.00 ATOM 1114 O GLU A 143 48.372 16.124 43.690 1.00 0.00 ATOM 1115 C GLU A 143 47.419 16.127 42.922 1.00 0.00 ATOM 1116 N VAL A 144 46.430 15.232 42.994 1.00 0.00 ATOM 1117 CA VAL A 144 46.436 14.142 44.001 1.00 0.00 ATOM 1118 CB VAL A 144 45.132 13.323 43.956 1.00 0.00 ATOM 1119 CG1 VAL A 144 45.184 12.180 44.958 1.00 0.00 ATOM 1120 CG2 VAL A 144 43.931 14.216 44.232 1.00 0.00 ATOM 1121 O VAL A 144 48.205 12.710 44.764 1.00 0.00 ATOM 1122 C VAL A 144 47.633 13.197 43.786 1.00 0.00 ATOM 1123 N ILE A 145 48.006 12.984 42.530 1.00 0.00 ATOM 1124 CA ILE A 145 49.222 12.202 42.199 1.00 0.00 ATOM 1125 CB ILE A 145 49.439 12.110 40.678 1.00 0.00 ATOM 1126 CG1 ILE A 145 48.278 11.359 40.018 1.00 0.00 ATOM 1127 CG2 ILE A 145 50.762 11.426 40.370 1.00 0.00 ATOM 1128 CD1 ILE A 145 48.291 9.869 40.275 1.00 0.00 ATOM 1129 O ILE A 145 51.151 12.179 43.614 1.00 0.00 ATOM 1130 C ILE A 145 50.449 12.843 42.863 1.00 0.00 ATOM 1131 N GLU A 146 50.632 14.121 42.559 1.00 0.00 ATOM 1132 CA GLU A 146 51.788 14.866 43.084 1.00 0.00 ATOM 1133 CB GLU A 146 51.856 16.261 42.459 1.00 0.00 ATOM 1134 CG GLU A 146 52.242 16.273 40.988 1.00 0.00 ATOM 1135 CD GLU A 146 52.197 17.665 40.422 1.00 0.00 ATOM 1136 OE1 GLU A 146 51.815 18.563 41.134 1.00 0.00 ATOM 1137 OE2 GLU A 146 52.650 17.852 39.317 1.00 0.00 ATOM 1138 O GLU A 146 52.792 14.895 45.272 1.00 0.00 ATOM 1139 C GLU A 146 51.765 14.996 44.610 1.00 0.00 ATOM 1140 N GLN A 147 50.557 15.013 45.176 1.00 0.00 ATOM 1141 CA GLN A 147 50.380 15.028 46.641 1.00 0.00 ATOM 1142 CB GLN A 147 48.898 15.178 47.000 1.00 0.00 ATOM 1143 CG GLN A 147 48.627 15.284 48.490 1.00 0.00 ATOM 1144 CD GLN A 147 49.231 16.534 49.102 1.00 0.00 ATOM 1145 OE1 GLN A 147 49.105 17.633 48.553 1.00 0.00 ATOM 1146 NE2 GLN A 147 49.895 16.374 50.240 1.00 0.00 ATOM 1147 O GLN A 147 51.766 13.797 48.184 1.00 0.00 ATOM 1148 C GLN A 147 50.946 13.748 47.265 1.00 0.00 ATOM 1149 N ILE A 148 50.562 12.610 46.681 1.00 0.00 ATOM 1150 CA ILE A 148 51.080 11.277 47.055 1.00 0.00 ATOM 1151 CB ILE A 148 50.389 10.158 46.257 1.00 0.00 ATOM 1152 CG1 ILE A 148 48.917 10.044 46.662 1.00 0.00 ATOM 1153 CG2 ILE A 148 51.105 8.832 46.468 1.00 0.00 ATOM 1154 CD1 ILE A 148 48.099 9.158 45.750 1.00 0.00 ATOM 1155 O ILE A 148 53.342 10.707 47.699 1.00 0.00 ATOM 1156 C ILE A 148 52.608 11.191 46.830 1.00 0.00 ATOM 1157 N GLU A 149 53.053 11.751 45.709 1.00 0.00 ATOM 1158 CA GLU A 149 54.462 11.746 45.271 1.00 0.00 ATOM 1159 CB GLU A 149 54.597 12.406 43.897 1.00 0.00 ATOM 1160 CG GLU A 149 56.033 12.667 43.464 1.00 0.00 ATOM 1161 CD GLU A 149 56.083 13.520 42.227 1.00 0.00 ATOM 1162 OE1 GLU A 149 55.519 14.586 42.239 1.00 0.00 ATOM 1163 OE2 GLU A 149 56.781 13.158 41.309 1.00 0.00 ATOM 1164 O GLU A 149 56.633 12.069 46.327 1.00 0.00 ATOM 1165 C GLU A 149 55.455 12.437 46.222 1.00 0.00 ATOM 1166 N ASN A 150 54.956 13.458 46.903 1.00 0.00 ATOM 1167 CA ASN A 150 55.815 14.263 47.785 1.00 0.00 ATOM 1168 CB ASN A 150 55.507 15.745 47.657 1.00 0.00 ATOM 1169 CG ASN A 150 55.908 16.334 46.333 1.00 0.00 ATOM 1170 ND2 ASN A 150 55.273 17.423 45.984 1.00 0.00 ATOM 1171 OD1 ASN A 150 56.832 15.849 45.669 1.00 0.00 ATOM 1172 O ASN A 150 56.371 14.532 50.094 1.00 0.00 ATOM 1173 C ASN A 150 55.741 13.885 49.259 1.00 0.00 ATOM 1174 N LEU A 151 55.085 12.764 49.523 1.00 0.00 ATOM 1175 CA LEU A 151 54.974 12.231 50.890 1.00 0.00 ATOM 1176 CB LEU A 151 53.959 11.085 50.954 1.00 0.00 ATOM 1177 CG LEU A 151 52.535 11.501 50.571 1.00 0.00 ATOM 1178 CD1 LEU A 151 51.638 10.276 50.579 1.00 0.00 ATOM 1179 CD2 LEU A 151 51.915 12.500 51.527 1.00 0.00 ATOM 1180 O LEU A 151 57.180 11.270 50.639 1.00 0.00 ATOM 1181 C LEU A 151 56.334 11.756 51.389 1.00 0.00 ATOM 1182 N LYS A 152 56.590 12.038 52.662 1.00 0.00 ATOM 1183 CA LYS A 152 57.830 11.571 53.309 1.00 0.00 ATOM 1184 CB LYS A 152 57.908 12.078 54.750 1.00 0.00 ATOM 1185 CG LYS A 152 58.079 13.585 54.878 1.00 0.00 ATOM 1186 CD LYS A 152 58.168 14.009 56.336 1.00 0.00 ATOM 1187 CE LYS A 152 58.304 15.519 56.466 1.00 0.00 ATOM 1188 NZ LYS A 152 58.369 15.952 57.890 1.00 0.00 ATOM 1189 O LYS A 152 56.896 9.346 53.504 1.00 0.00 ATOM 1190 C LYS A 152 57.896 10.028 53.265 1.00 0.00 ATOM 1191 N THR A 153 59.060 9.542 52.856 1.00 0.00 ATOM 1192 CA THR A 153 59.313 8.094 52.651 1.00 0.00 ATOM 1193 CB THR A 153 59.533 7.750 51.166 1.00 0.00 ATOM 1194 CG2 THR A 153 58.319 8.094 50.307 1.00 0.00 ATOM 1195 OG1 THR A 153 60.681 8.443 50.658 1.00 0.00 ATOM 1196 O THR A 153 61.386 8.421 53.834 1.00 0.00 ATOM 1197 C THR A 153 60.540 7.619 53.432 1.00 0.00 ATOM 1198 N ASP A 154 60.596 6.317 53.653 1.00 0.00 ATOM 1199 CA ASP A 154 61.761 5.687 54.293 1.00 0.00 ATOM 1200 CB ASP A 154 61.338 4.433 55.061 1.00 0.00 ATOM 1201 CG ASP A 154 60.836 3.295 54.179 1.00 0.00 ATOM 1202 OD1 ASP A 154 61.021 3.367 52.988 1.00 0.00 ATOM 1203 OD2 ASP A 154 60.417 2.297 54.715 1.00 0.00 ATOM 1204 O ASP A 154 62.724 5.654 52.066 1.00 0.00 ATOM 1205 C ASP A 154 62.835 5.337 53.250 1.00 0.00 ATOM 1206 N ALA A 155 63.863 4.607 53.706 1.00 0.00 ATOM 1207 CA ALA A 155 64.974 4.186 52.820 1.00 0.00 ATOM 1208 CB ALA A 155 65.989 3.437 53.659 1.00 0.00 ATOM 1209 O ALA A 155 65.168 3.341 50.571 1.00 0.00 ATOM 1210 C ALA A 155 64.559 3.296 51.636 1.00 0.00 ATOM 1211 N ALA A 156 63.527 2.492 51.844 1.00 0.00 ATOM 1212 CA ALA A 156 62.953 1.624 50.796 1.00 0.00 ATOM 1213 CB ALA A 156 62.122 0.611 51.555 1.00 0.00 ATOM 1214 O ALA A 156 61.489 1.675 48.891 1.00 0.00 ATOM 1215 C ALA A 156 62.053 2.332 49.771 1.00 0.00 ATOM 1216 N SER A 157 61.904 3.644 49.911 1.00 0.00 ATOM 1217 CA SER A 157 61.027 4.518 49.096 1.00 0.00 ATOM 1218 CB SER A 157 61.249 4.251 47.620 1.00 0.00 ATOM 1219 OG SER A 157 62.568 4.516 47.230 1.00 0.00 ATOM 1220 O SER A 157 58.666 4.899 48.686 1.00 0.00 ATOM 1221 C SER A 157 59.528 4.372 49.401 1.00 0.00 ATOM 1222 N ARG A 158 59.238 3.625 50.462 1.00 0.00 ATOM 1223 CA ARG A 158 57.889 3.419 51.000 1.00 0.00 ATOM 1224 CB ARG A 158 57.815 2.205 51.915 1.00 0.00 ATOM 1225 CG ARG A 158 58.031 0.869 51.222 1.00 0.00 ATOM 1226 CD ARG A 158 57.994 -0.305 52.132 1.00 0.00 ATOM 1227 NE ARG A 158 59.116 -0.388 53.055 1.00 0.00 ATOM 1228 CZ ARG A 158 59.194 -1.251 54.086 1.00 0.00 ATOM 1229 NH1 ARG A 158 58.209 -2.079 54.353 1.00 0.00 ATOM 1230 NH2 ARG A 158 60.281 -1.229 54.837 1.00 0.00 ATOM 1231 O ARG A 158 58.074 5.217 52.569 1.00 0.00 ATOM 1232 C ARG A 158 57.374 4.695 51.704 1.00 0.00 ATOM 1233 N PRO A 159 56.159 5.174 51.380 1.00 0.00 ATOM 1234 CA PRO A 159 55.595 6.357 52.057 1.00 0.00 ATOM 1235 CB PRO A 159 54.257 6.631 51.382 1.00 0.00 ATOM 1236 CG PRO A 159 54.290 5.832 50.072 1.00 0.00 ATOM 1237 CD PRO A 159 55.269 4.684 50.307 1.00 0.00 ATOM 1238 O PRO A 159 55.062 4.898 53.890 1.00 0.00 ATOM 1239 C PRO A 159 55.370 6.018 53.536 1.00 0.00 ATOM 1240 N TYR A 160 55.684 6.934 54.429 1.00 0.00 ATOM 1241 CA TYR A 160 55.425 6.718 55.874 1.00 0.00 ATOM 1242 CB TYR A 160 55.950 7.857 56.725 1.00 0.00 ATOM 1243 CG TYR A 160 57.455 7.757 56.901 1.00 0.00 ATOM 1244 CD1 TYR A 160 58.044 6.707 57.587 1.00 0.00 ATOM 1245 CD2 TYR A 160 58.243 8.753 56.348 1.00 0.00 ATOM 1246 CE1 TYR A 160 59.424 6.650 57.710 1.00 0.00 ATOM 1247 CE2 TYR A 160 59.621 8.706 56.466 1.00 0.00 ATOM 1248 CZ TYR A 160 60.213 7.652 57.143 1.00 0.00 ATOM 1249 OH TYR A 160 61.571 7.680 57.309 1.00 0.00 ATOM 1250 O TYR A 160 53.573 5.775 57.075 1.00 0.00 ATOM 1251 C TYR A 160 53.937 6.547 56.192 1.00 0.00 ATOM 1252 N ALA A 161 53.150 7.436 55.592 1.00 0.00 ATOM 1253 CA ALA A 161 51.686 7.439 55.678 1.00 0.00 ATOM 1254 CB ALA A 161 51.200 8.783 55.141 1.00 0.00 ATOM 1255 O ALA A 161 51.665 5.848 53.865 1.00 0.00 ATOM 1256 C ALA A 161 51.088 6.281 54.867 1.00 0.00 ATOM 1257 N ASP A 162 49.861 5.921 55.202 1.00 0.00 ATOM 1258 CA ASP A 162 49.086 4.837 54.570 1.00 0.00 ATOM 1259 CB ASP A 162 48.168 4.166 55.596 1.00 0.00 ATOM 1260 CG ASP A 162 47.360 2.997 55.047 1.00 0.00 ATOM 1261 OD1 ASP A 162 47.412 2.770 53.861 1.00 0.00 ATOM 1262 OD2 ASP A 162 46.826 2.250 55.832 1.00 0.00 ATOM 1263 O ASP A 162 47.269 6.100 53.563 1.00 0.00 ATOM 1264 C ASP A 162 48.274 5.403 53.392 1.00 0.00 ATOM 1265 N VAL A 163 48.849 5.202 52.217 1.00 0.00 ATOM 1266 CA VAL A 163 48.188 5.564 50.948 1.00 0.00 ATOM 1267 CB VAL A 163 49.210 5.962 49.874 1.00 0.00 ATOM 1268 CG1 VAL A 163 48.524 6.392 48.569 1.00 0.00 ATOM 1269 CG2 VAL A 163 50.089 7.121 50.344 1.00 0.00 ATOM 1270 O VAL A 163 47.827 3.441 49.867 1.00 0.00 ATOM 1271 C VAL A 163 47.321 4.372 50.495 1.00 0.00 ATOM 1272 N ARG A 164 46.011 4.559 50.641 1.00 0.00 ATOM 1273 CA ARG A 164 45.048 3.487 50.331 1.00 0.00 ATOM 1274 CB ARG A 164 44.298 3.014 51.568 1.00 0.00 ATOM 1275 CG ARG A 164 43.625 1.658 51.427 1.00 0.00 ATOM 1276 CD ARG A 164 42.955 1.177 52.663 1.00 0.00 ATOM 1277 NE ARG A 164 43.863 0.787 53.730 1.00 0.00 ATOM 1278 CZ ARG A 164 43.505 0.622 55.017 1.00 0.00 ATOM 1279 NH1 ARG A 164 42.271 0.847 55.412 1.00 0.00 ATOM 1280 NH2 ARG A 164 44.434 0.251 55.882 1.00 0.00 ATOM 1281 O ARG A 164 43.421 4.907 49.236 1.00 0.00 ATOM 1282 C ARG A 164 44.037 3.837 49.221 1.00 0.00 ATOM 1283 N VAL A 165 43.736 2.833 48.399 1.00 0.00 ATOM 1284 CA VAL A 165 42.638 2.903 47.409 1.00 0.00 ATOM 1285 CB VAL A 165 42.847 1.898 46.262 1.00 0.00 ATOM 1286 CG1 VAL A 165 41.721 2.009 45.245 1.00 0.00 ATOM 1287 CG2 VAL A 165 44.193 2.124 45.591 1.00 0.00 ATOM 1288 O VAL A 165 40.852 1.486 48.198 1.00 0.00 ATOM 1289 C VAL A 165 41.297 2.631 48.112 1.00 0.00 ATOM 1290 N ILE A 166 40.675 3.706 48.599 1.00 0.00 ATOM 1291 CA ILE A 166 39.342 3.631 49.240 1.00 0.00 ATOM 1292 CB ILE A 166 38.857 4.974 49.844 1.00 0.00 ATOM 1293 CG1 ILE A 166 37.582 4.747 50.634 1.00 0.00 ATOM 1294 CG2 ILE A 166 38.471 6.095 48.873 1.00 0.00 ATOM 1295 CD1 ILE A 166 37.701 3.830 51.847 1.00 0.00 ATOM 1296 O ILE A 166 37.558 2.099 48.730 1.00 0.00 ATOM 1297 C ILE A 166 38.275 3.013 48.322 1.00 0.00 ATOM 1298 N ASP A 167 38.242 3.515 47.092 1.00 0.00 ATOM 1299 CA ASP A 167 37.308 2.972 46.109 1.00 0.00 ATOM 1300 CB ASP A 167 35.935 3.633 46.252 1.00 0.00 ATOM 1301 CG ASP A 167 34.791 2.848 45.624 1.00 0.00 ATOM 1302 OD1 ASP A 167 35.034 1.769 45.137 1.00 0.00 ATOM 1303 OD2 ASP A 167 33.664 3.258 45.773 1.00 0.00 ATOM 1304 O ASP A 167 38.873 3.820 44.474 1.00 0.00 ATOM 1305 C ASP A 167 37.852 3.168 44.693 1.00 0.00 ATOM 1306 N CYS A 168 37.430 2.181 43.923 1.00 0.00 ATOM 1307 CA CYS A 168 37.928 1.971 42.562 1.00 0.00 ATOM 1308 CB CYS A 168 39.096 0.993 42.577 1.00 0.00 ATOM 1309 SG CYS A 168 39.800 0.842 40.903 1.00 0.00 ATOM 1310 O CYS A 168 36.234 0.361 42.089 1.00 0.00 ATOM 1311 C CYS A 168 36.810 1.367 41.708 1.00 0.00 ATOM 1312 N GLY A 169 36.805 1.787 40.461 1.00 0.00 ATOM 1313 CA GLY A 169 35.858 1.258 39.490 1.00 0.00 ATOM 1314 O GLY A 169 37.004 2.581 37.816 1.00 0.00 ATOM 1315 C GLY A 169 35.985 1.982 38.159 1.00 0.00 ATOM 1316 N VAL A 170 34.908 1.831 37.416 1.00 0.00 ATOM 1317 CA VAL A 170 34.793 2.414 36.084 1.00 0.00 ATOM 1318 CB VAL A 170 34.361 1.334 35.096 1.00 0.00 ATOM 1319 CG1 VAL A 170 34.226 1.959 33.717 1.00 0.00 ATOM 1320 CG2 VAL A 170 35.394 0.208 34.966 1.00 0.00 ATOM 1321 O VAL A 170 32.618 3.358 36.530 1.00 0.00 ATOM 1322 C VAL A 170 33.775 3.559 36.168 1.00 0.00 ATOM 1323 N LEU A 171 34.224 4.700 35.657 1.00 0.00 ATOM 1324 CA LEU A 171 33.355 5.882 35.499 1.00 0.00 ATOM 1325 CB LEU A 171 34.192 7.167 35.559 1.00 0.00 ATOM 1326 CG LEU A 171 34.883 7.433 36.903 1.00 0.00 ATOM 1327 CD1 LEU A 171 35.783 8.657 36.794 1.00 0.00 ATOM 1328 CD2 LEU A 171 33.832 7.630 37.986 1.00 0.00 ATOM 1329 O LEU A 171 31.383 6.186 34.155 1.00 0.00 ATOM 1330 C LEU A 171 32.564 5.830 34.188 1.00 0.00 ATOM 1331 N ALA A 172 33.244 5.400 33.119 1.00 0.00 ATOM 1332 CA ALA A 172 32.660 5.311 31.771 1.00 0.00 ATOM 1333 CB ALA A 172 32.836 6.669 31.077 1.00 0.00 ATOM 1334 O ALA A 172 34.269 3.563 31.352 1.00 0.00 ATOM 1335 C ALA A 172 33.279 4.182 30.929 1.00 0.00 ENDMDL EXPDTA 2he9A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2he9A ATOM 1 N SER A 1 37.021 5.513 24.365 1.00 0.00 ATOM 2 CA SER A 1 38.126 5.209 25.316 1.00 0.00 ATOM 3 CB SER A 1 39.195 6.325 25.247 1.00 0.00 ATOM 4 OG SER A 1 40.211 6.194 26.215 1.00 0.00 ATOM 5 O SER A 1 36.985 5.838 27.381 1.00 0.00 ATOM 6 C SER A 1 37.571 4.954 26.760 1.00 0.00 ATOM 7 N PRO A 2 37.741 3.724 27.282 1.00 0.00 ATOM 8 CA PRO A 2 37.273 3.436 28.647 1.00 0.00 ATOM 9 CB PRO A 2 37.568 1.953 28.836 1.00 0.00 ATOM 10 CG PRO A 2 38.420 1.535 27.683 1.00 0.00 ATOM 11 CD PRO A 2 38.350 2.553 26.615 1.00 0.00 ATOM 12 O PRO A 2 39.123 4.721 29.530 1.00 0.00 ATOM 13 C PRO A 2 37.975 4.259 29.726 1.00 0.00 ATOM 14 N GLN A 3 37.263 4.459 30.837 1.00 0.00 ATOM 15 CA GLN A 3 37.703 5.284 31.907 1.00 0.00 ATOM 16 CB GLN A 3 36.975 6.636 31.896 1.00 0.00 ATOM 17 CG GLN A 3 37.448 7.621 30.852 1.00 0.00 ATOM 18 CD GLN A 3 36.913 9.061 31.058 1.00 0.00 ATOM 19 OE1 GLN A 3 36.621 9.489 32.181 1.00 0.00 ATOM 20 NE2 GLN A 3 36.822 9.806 29.978 1.00 0.00 ATOM 21 O GLN A 3 36.532 3.617 33.201 1.00 0.00 ATOM 22 C GLN A 3 37.406 4.481 33.187 1.00 0.00 ATOM 23 N CYS A 4 38.184 4.747 34.232 1.00 0.00 ATOM 24 CA CYS A 4 38.067 4.068 35.510 1.00 0.00 ATOM 25 CB CYS A 4 38.770 2.697 35.499 1.00 0.00 ATOM 26 SG CYS A 4 40.444 2.712 34.912 1.00 0.00 ATOM 27 O CYS A 4 39.323 5.978 36.130 1.00 0.00 ATOM 28 C CYS A 4 38.681 5.013 36.527 1.00 0.00 ATOM 29 N HIS A 5 38.408 4.802 37.816 1.00 0.00 ATOM 30 CA HIS A 5 38.869 5.740 38.834 1.00 0.00 ATOM 31 CB HIS A 5 37.735 6.698 39.251 1.00 0.00 ATOM 32 CG HIS A 5 36.701 6.064 40.119 1.00 0.00 ATOM 33 CD2 HIS A 5 35.626 5.288 39.811 1.00 0.00 ATOM 34 ND1 HIS A 5 36.715 6.165 41.489 1.00 0.00 ATOM 35 CE1 HIS A 5 35.689 5.498 41.990 1.00 0.00 ATOM 36 NE2 HIS A 5 35.024 4.942 40.997 1.00 0.00 ATOM 37 O HIS A 5 38.956 3.882 40.337 1.00 0.00 ATOM 38 C HIS A 5 39.367 5.024 40.060 1.00 0.00 ATOM 39 N PHE A 6 40.244 5.723 40.782 1.00 0.00 ATOM 40 CA PHE A 6 40.624 5.421 42.185 1.00 0.00 ATOM 41 CB PHE A 6 42.145 5.340 42.352 1.00 0.00 ATOM 42 CG PHE A 6 42.811 4.162 41.648 1.00 0.00 ATOM 43 CD1 PHE A 6 42.057 3.119 41.066 1.00 0.00 ATOM 44 CD2 PHE A 6 44.231 4.116 41.551 1.00 0.00 ATOM 45 CE1 PHE A 6 42.694 2.024 40.443 1.00 0.00 ATOM 46 CE2 PHE A 6 44.866 3.033 40.920 1.00 0.00 ATOM 47 CZ PHE A 6 44.113 1.988 40.381 1.00 0.00 ATOM 48 O PHE A 6 40.407 7.785 42.654 1.00 0.00 ATOM 49 C PHE A 6 40.212 6.619 43.047 1.00 0.00 ATOM 50 N ASP A 7 39.689 6.321 44.225 1.00 0.00 ATOM 51 CA ASP A 7 39.446 7.303 45.278 1.00 0.00 ATOM 52 CB ASP A 7 38.051 7.139 45.877 1.00 0.00 ATOM 53 CG ASP A 7 36.961 7.549 44.906 1.00 0.00 ATOM 54 OD1 ASP A 7 37.228 8.410 44.058 1.00 0.00 ATOM 55 OD2 ASP A 7 35.844 7.023 44.977 1.00 0.00 ATOM 56 O ASP A 7 40.626 5.827 46.753 1.00 0.00 ATOM 57 C ASP A 7 40.479 6.998 46.341 1.00 0.00 ATOM 58 N ILE A 8 41.201 8.042 46.758 1.00 0.00 ATOM 59 CA ILE A 8 42.397 7.863 47.562 1.00 0.00 ATOM 60 CB ILE A 8 43.594 8.571 46.895 1.00 0.00 ATOM 61 CG1 ILE A 8 43.830 8.010 45.468 1.00 0.00 ATOM 62 CG2 ILE A 8 44.899 8.535 47.822 1.00 0.00 ATOM 63 CD1 ILE A 8 44.203 6.530 45.393 1.00 0.00 ATOM 64 O ILE A 8 41.587 9.495 49.143 1.00 0.00 ATOM 65 C ILE A 8 42.178 8.415 48.988 1.00 0.00 ATOM 66 N GLU A 9 42.661 7.703 50.016 1.00 0.00 ATOM 67 CA GLU A 9 42.808 8.335 51.355 1.00 0.00 ATOM 68 CB GLU A 9 41.909 7.685 52.430 1.00 0.00 ATOM 69 CG GLU A 9 40.430 7.809 52.143 1.00 0.00 ATOM 70 CD GLU A 9 39.533 7.203 53.230 1.00 0.00 ATOM 71 OE1 GLU A 9 40.033 6.552 54.186 1.00 0.00 ATOM 72 OE2 GLU A 9 38.301 7.370 53.104 1.00 0.00 ATOM 73 O GLU A 9 44.845 7.131 51.558 1.00 0.00 ATOM 74 C GLU A 9 44.246 8.201 51.776 1.00 0.00 ATOM 75 N ILE A 10 44.804 9.259 52.390 1.00 0.00 ATOM 76 CA ILE A 10 46.137 9.174 52.989 1.00 0.00 ATOM 77 CB ILE A 10 47.045 10.303 52.480 1.00 0.00 ATOM 78 CG1 ILE A 10 47.366 10.115 50.989 1.00 0.00 ATOM 79 CG2 ILE A 10 48.355 10.350 53.268 1.00 0.00 ATOM 80 CD1 ILE A 10 48.080 11.406 50.318 1.00 0.00 ATOM 81 O ILE A 10 45.346 10.233 54.992 1.00 0.00 ATOM 82 C ILE A 10 45.920 9.263 54.514 1.00 0.00 ATOM 83 N ASN A 11 46.306 8.225 55.254 1.00 0.00 ATOM 84 CA ASN A 11 46.081 8.171 56.703 1.00 0.00 ATOM 85 CB ASN A 11 47.018 9.147 57.428 1.00 0.00 ATOM 86 CG ASN A 11 48.443 8.618 57.501 1.00 0.00 ATOM 87 ND2 ASN A 11 49.340 9.354 58.172 1.00 0.00 ATOM 88 OD1 ASN A 11 48.731 7.552 56.966 1.00 0.00 ATOM 89 O ASN A 11 44.235 9.220 57.885 1.00 0.00 ATOM 90 C ASN A 11 44.598 8.444 56.982 1.00 0.00 ATOM 91 N ARG A 12 43.758 7.802 56.158 1.00 0.00 ATOM 92 CA ARG A 12 42.314 7.870 56.307 1.00 0.00 ATOM 93 CB ARG A 12 41.870 7.444 57.702 1.00 0.00 ATOM 94 CG ARG A 12 42.446 6.136 58.135 1.00 0.00 ATOM 95 CD ARG A 12 41.780 5.653 59.417 1.00 0.00 ATOM 96 NE ARG A 12 42.495 4.498 59.974 1.00 0.00 ATOM 97 CZ ARG A 12 41.979 3.275 60.117 1.00 0.00 ATOM 98 NH1 ARG A 12 40.709 2.987 59.748 1.00 0.00 ATOM 99 NH2 ARG A 12 42.737 2.329 60.668 1.00 0.00 ATOM 100 O ARG A 12 40.536 9.456 56.198 1.00 0.00 ATOM 101 C ARG A 12 41.722 9.258 55.997 1.00 0.00 ATOM 102 N GLU A 13 42.527 10.204 55.521 1.00 0.00 ATOM 103 CA GLU A 13 41.963 11.469 55.042 1.00 0.00 ATOM 104 CB GLU A 13 42.928 12.634 55.261 1.00 0.00 ATOM 105 CG GLU A 13 42.243 14.018 54.917 1.00 0.00 ATOM 106 CD GLU A 13 43.210 15.205 54.593 1.00 0.00 ATOM 107 OE1 GLU A 13 44.468 15.057 54.734 1.00 0.00 ATOM 108 OE2 GLU A 13 42.689 16.298 54.188 1.00 0.00 ATOM 109 O GLU A 13 42.569 11.076 52.727 1.00 0.00 ATOM 110 C GLU A 13 41.644 11.354 53.533 1.00 0.00 ATOM 111 N PRO A 14 40.366 11.567 53.137 1.00 0.00 ATOM 112 CA PRO A 14 40.020 11.552 51.724 1.00 0.00 ATOM 113 CB PRO A 14 38.494 11.788 51.710 1.00 0.00 ATOM 114 CG PRO A 14 38.041 11.680 53.090 1.00 0.00 ATOM 115 CD PRO A 14 39.197 11.879 53.989 1.00 0.00 ATOM 116 O PRO A 14 40.642 13.861 51.425 1.00 0.00 ATOM 117 C PRO A 14 40.753 12.700 51.012 1.00 0.00 ATOM 118 N VAL A 15 41.496 12.381 49.956 1.00 0.00 ATOM 119 CA VAL A 15 42.289 13.409 49.258 1.00 0.00 ATOM 120 CB VAL A 15 43.811 13.128 49.355 1.00 0.00 ATOM 121 CG1 VAL A 15 44.347 13.363 50.813 1.00 0.00 ATOM 122 CG2 VAL A 15 44.114 11.736 48.855 1.00 0.00 ATOM 123 O VAL A 15 42.359 14.602 47.117 1.00 0.00 ATOM 124 C VAL A 15 41.894 13.632 47.784 1.00 0.00 ATOM 125 N GLY A 16 41.034 12.764 47.273 1.00 0.00 ATOM 126 CA GLY A 16 40.468 12.988 45.944 1.00 0.00 ATOM 127 O GLY A 16 40.883 10.659 45.509 1.00 0.00 ATOM 128 C GLY A 16 40.449 11.739 45.084 1.00 0.00 ATOM 129 N ARG A 17 39.959 11.934 43.869 1.00 0.00 ATOM 130 CA ARG A 17 39.778 10.913 42.861 1.00 0.00 ATOM 131 CB ARG A 17 38.328 11.006 42.362 1.00 0.00 ATOM 132 CG ARG A 17 38.012 10.229 41.110 1.00 0.00 ATOM 133 CD ARG A 17 36.522 10.181 40.877 1.00 0.00 ATOM 134 NE ARG A 17 35.875 9.464 41.985 1.00 0.00 ATOM 135 CZ ARG A 17 34.642 8.945 41.937 1.00 0.00 ATOM 136 NH1 ARG A 17 33.903 9.055 40.828 1.00 0.00 ATOM 137 NH2 ARG A 17 34.143 8.290 42.985 1.00 0.00 ATOM 138 O ARG A 17 40.958 12.210 41.144 1.00 0.00 ATOM 139 C ARG A 17 40.766 11.092 41.680 1.00 0.00 ATOM 140 N ILE A 18 41.411 9.992 41.312 1.00 0.00 ATOM 141 CA ILE A 18 42.289 9.938 40.144 1.00 0.00 ATOM 142 CB ILE A 18 43.504 9.028 40.393 1.00 0.00 ATOM 143 CG1 ILE A 18 44.376 9.659 41.499 1.00 0.00 ATOM 144 CG2 ILE A 18 44.309 8.767 39.091 1.00 0.00 ATOM 145 CD1 ILE A 18 45.475 8.708 42.081 1.00 0.00 ATOM 146 O ILE A 18 40.867 8.226 39.254 1.00 0.00 ATOM 147 C ILE A 18 41.430 9.307 39.070 1.00 0.00 ATOM 148 N MET A 19 41.292 10.012 37.961 1.00 0.00 ATOM 149 CA MET A 19 40.538 9.472 36.851 1.00 0.00 ATOM 150 CB MET A 19 39.592 10.576 36.364 1.00 0.00 ATOM 151 CG MET A 19 38.788 10.110 35.232 1.00 0.00 ATOM 152 SD MET A 19 37.536 9.007 35.901 1.00 0.00 ATOM 153 CE MET A 19 36.569 10.175 36.894 1.00 0.00 ATOM 154 O MET A 19 42.328 9.843 35.324 1.00 0.00 ATOM 155 C MET A 19 41.486 9.049 35.721 1.00 0.00 ATOM 156 N PHE A 20 41.325 7.828 35.183 1.00 0.00 ATOM 157 CA PHE A 20 42.205 7.334 34.116 1.00 0.00 ATOM 158 CB PHE A 20 42.754 5.933 34.447 1.00 0.00 ATOM 159 CG PHE A 20 43.516 5.843 35.718 1.00 0.00 ATOM 160 CD1 PHE A 20 44.839 6.289 35.784 1.00 0.00 ATOM 161 CD2 PHE A 20 42.942 5.233 36.842 1.00 0.00 ATOM 162 CE1 PHE A 20 45.594 6.132 36.921 1.00 0.00 ATOM 163 CE2 PHE A 20 43.664 5.086 37.990 1.00 0.00 ATOM 164 CZ PHE A 20 45.011 5.561 38.062 1.00 0.00 ATOM 165 O PHE A 20 40.310 6.713 32.749 1.00 0.00 ATOM 166 C PHE A 20 41.465 7.175 32.782 1.00 0.00 ATOM 167 N GLN A 21 42.135 7.564 31.695 1.00 0.00 ATOM 168 CA GLN A 21 41.692 7.227 30.362 1.00 0.00 ATOM 169 CB GLN A 21 41.890 8.414 29.436 1.00 0.00 ATOM 170 CG GLN A 21 41.805 8.061 27.960 1.00 0.00 ATOM 171 CD GLN A 21 41.847 9.270 27.030 1.00 0.00 ATOM 172 OE1 GLN A 21 42.059 10.420 27.459 1.00 0.00 ATOM 173 NE2 GLN A 21 41.624 9.018 25.741 1.00 0.00 ATOM 174 O GLN A 21 43.805 6.228 29.944 1.00 0.00 ATOM 175 C GLN A 21 42.589 6.095 29.901 1.00 0.00 ATOM 176 N LEU A 22 41.992 5.012 29.418 1.00 0.00 ATOM 177 CA LEU A 22 42.766 3.825 28.960 1.00 0.00 ATOM 178 CB LEU A 22 42.153 2.578 29.532 1.00 0.00 ATOM 179 CG LEU A 22 42.059 2.450 31.063 1.00 0.00 ATOM 180 CD1 LEU A 22 42.008 0.997 31.425 1.00 0.00 ATOM 181 CD2 LEU A 22 43.289 3.052 31.705 1.00 0.00 ATOM 182 O LEU A 22 41.753 4.094 26.809 1.00 0.00 ATOM 183 C LEU A 22 42.746 3.753 27.439 1.00 0.00 ATOM 184 N PHE A 23 43.847 3.295 26.861 1.00 0.00 ATOM 185 CA PHE A 23 44.004 3.307 25.432 1.00 0.00 ATOM 186 CB PHE A 23 45.365 3.894 25.081 1.00 0.00 ATOM 187 CG PHE A 23 45.534 5.335 25.479 1.00 0.00 ATOM 188 CD1 PHE A 23 44.595 6.306 25.096 1.00 0.00 ATOM 189 CD2 PHE A 23 46.623 5.735 26.220 1.00 0.00 ATOM 190 CE1 PHE A 23 44.788 7.665 25.408 1.00 0.00 ATOM 191 CE2 PHE A 23 46.807 7.112 26.544 1.00 0.00 ATOM 192 CZ PHE A 23 45.881 8.061 26.139 1.00 0.00 ATOM 193 O PHE A 23 44.892 1.171 24.774 1.00 0.00 ATOM 194 C PHE A 23 43.881 1.871 25.005 1.00 0.00 ATOM 195 N SER A 24 42.621 1.445 24.913 1.00 0.00 ATOM 196 CA SER A 24 42.230 0.043 24.693 1.00 0.00 ATOM 197 CB SER A 24 40.861 -0.229 25.325 1.00 0.00 ATOM 198 OG SER A 24 39.890 0.652 24.775 1.00 0.00 ATOM 199 O SER A 24 42.013 -1.480 22.846 1.00 0.00 ATOM 200 C SER A 24 42.210 -0.315 23.213 1.00 0.00 ATOM 201 N ASP A 25 42.415 0.690 22.366 1.00 0.00 ATOM 202 CA ASP A 25 42.698 0.433 20.956 1.00 0.00 ATOM 203 CB ASP A 25 42.643 1.717 20.130 1.00 0.00 ATOM 204 CG ASP A 25 43.412 2.898 20.762 1.00 0.00 ATOM 205 OD1 ASP A 25 44.177 2.743 21.736 1.00 0.00 ATOM 206 OD2 ASP A 25 43.236 4.018 20.271 1.00 0.00 ATOM 207 O ASP A 25 44.198 -1.281 20.140 1.00 0.00 ATOM 208 C ASP A 25 44.061 -0.233 20.776 1.00 0.00 ATOM 209 N ILE A 26 45.067 0.403 21.352 1.00 0.00 ATOM 210 CA ILE A 26 46.445 0.037 21.124 1.00 0.00 ATOM 211 CB ILE A 26 47.309 1.291 21.325 1.00 0.00 ATOM 212 CG1 ILE A 26 48.771 1.066 20.955 1.00 0.00 ATOM 213 CG2 ILE A 26 47.192 1.803 22.701 1.00 0.00 ATOM 214 CD1 ILE A 26 49.357 2.310 20.272 1.00 0.00 ATOM 215 O ILE A 26 47.617 -1.994 21.631 1.00 0.00 ATOM 216 C ILE A 26 46.842 -1.132 22.025 1.00 0.00 ATOM 217 N CYS A 27 46.306 -1.149 23.245 1.00 0.00 ATOM 218 CA CYS A 27 46.652 -2.156 24.249 1.00 0.00 ATOM 219 CB CYS A 27 47.444 -1.490 25.381 1.00 0.00 ATOM 220 SG CYS A 27 49.169 -1.093 24.895 1.00 0.00 ATOM 221 O CYS A 27 45.071 -2.587 25.988 1.00 0.00 ATOM 222 C CYS A 27 45.383 -2.783 24.823 1.00 0.00 ATOM 223 N PRO A 28 44.647 -3.557 24.012 1.00 0.00 ATOM 224 CA PRO A 28 43.382 -4.073 24.544 1.00 0.00 ATOM 225 CB PRO A 28 42.717 -4.782 23.345 1.00 0.00 ATOM 226 CG PRO A 28 43.828 -4.985 22.325 1.00 0.00 ATOM 227 CD PRO A 28 44.926 -4.003 22.638 1.00 0.00 ATOM 228 O PRO A 28 42.819 -4.991 26.658 1.00 0.00 ATOM 229 C PRO A 28 43.575 -5.045 25.710 1.00 0.00 ATOM 230 N LYS A 29 44.552 -5.936 25.639 1.00 0.00 ATOM 231 CA LYS A 29 44.715 -6.938 26.693 1.00 0.00 ATOM 232 CB LYS A 29 45.747 -8.010 26.252 1.00 0.00 ATOM 233 CG LYS A 29 45.818 -9.186 27.236 1.00 0.00 ATOM 234 CD LYS A 29 46.800 -10.228 26.793 1.00 0.00 ATOM 235 CE LYS A 29 46.608 -11.539 27.522 1.00 0.00 ATOM 236 NZ LYS A 29 47.630 -12.504 27.018 1.00 0.00 ATOM 237 O LYS A 29 44.615 -6.567 29.088 1.00 0.00 ATOM 238 C LYS A 29 45.134 -6.265 28.007 1.00 0.00 ATOM 239 N THR A 30 46.065 -5.331 27.911 1.00 0.00 ATOM 240 CA THR A 30 46.553 -4.605 29.101 1.00 0.00 ATOM 241 CB THR A 30 47.802 -3.758 28.752 1.00 0.00 ATOM 242 CG2 THR A 30 48.411 -3.099 30.015 1.00 0.00 ATOM 243 OG1 THR A 30 48.803 -4.585 28.114 1.00 0.00 ATOM 244 O THR A 30 45.307 -3.788 30.979 1.00 0.00 ATOM 245 C THR A 30 45.441 -3.770 29.764 1.00 0.00 ATOM 246 N CYS A 31 44.648 -3.052 28.971 1.00 0.00 ATOM 247 CA CYS A 31 43.538 -2.240 29.503 1.00 0.00 ATOM 248 CB CYS A 31 42.943 -1.373 28.405 1.00 0.00 ATOM 249 SG CYS A 31 44.053 -0.072 27.793 1.00 0.00 ATOM 250 O CYS A 31 41.848 -2.781 31.071 1.00 0.00 ATOM 251 C CYS A 31 42.434 -3.125 30.073 1.00 0.00 ATOM 252 N LYS A 32 42.172 -4.285 29.468 1.00 0.00 ATOM 253 CA LYS A 32 41.125 -5.161 30.012 1.00 0.00 ATOM 254 CB LYS A 32 40.856 -6.349 29.098 1.00 0.00 ATOM 255 CG LYS A 32 39.706 -7.242 29.643 1.00 0.00 ATOM 256 CD LYS A 32 39.607 -8.528 28.855 1.00 0.00 ATOM 257 CE LYS A 32 38.502 -9.451 29.432 1.00 0.00 ATOM 258 NZ LYS A 32 38.614 -10.790 28.789 1.00 0.00 ATOM 259 O LYS A 32 40.654 -5.628 32.322 1.00 0.00 ATOM 260 C LYS A 32 41.487 -5.647 31.415 1.00 0.00 ATOM 261 N ASN A 33 42.749 -6.056 31.580 1.00 0.00 ATOM 262 CA ASN A 33 43.298 -6.412 32.882 1.00 0.00 ATOM 263 CB ASN A 33 44.779 -6.793 32.727 1.00 0.00 ATOM 264 CG ASN A 33 45.424 -7.228 34.023 1.00 0.00 ATOM 265 ND2 ASN A 33 46.452 -6.494 34.444 1.00 0.00 ATOM 266 OD1 ASN A 33 45.003 -8.212 34.648 1.00 0.00 ATOM 267 O ASN A 33 42.500 -5.497 34.966 1.00 0.00 ATOM 268 C ASN A 33 43.085 -5.268 33.884 1.00 0.00 ATOM 269 N PHE A 34 43.490 -4.030 33.519 1.00 0.00 ATOM 270 CA PHE A 34 43.445 -2.920 34.488 1.00 0.00 ATOM 271 CB PHE A 34 44.141 -1.650 33.938 1.00 0.00 ATOM 272 CG PHE A 34 44.362 -0.588 34.975 1.00 0.00 ATOM 273 CD1 PHE A 34 45.529 -0.586 35.750 1.00 0.00 ATOM 274 CD2 PHE A 34 43.394 0.418 35.196 1.00 0.00 ATOM 275 CE1 PHE A 34 45.766 0.421 36.707 1.00 0.00 ATOM 276 CE2 PHE A 34 43.631 1.424 36.166 1.00 0.00 ATOM 277 CZ PHE A 34 44.837 1.419 36.896 1.00 0.00 ATOM 278 O PHE A 34 41.623 -2.455 36.020 1.00 0.00 ATOM 279 C PHE A 34 41.991 -2.626 34.827 1.00 0.00 ATOM 280 N LEU A 35 41.148 -2.617 33.803 1.00 0.00 ATOM 281 CA LEU A 35 39.717 -2.386 34.045 1.00 0.00 ATOM 282 CB LEU A 35 38.931 -2.311 32.742 1.00 0.00 ATOM 283 CG LEU A 35 39.144 -1.104 31.869 1.00 0.00 ATOM 284 CD1 LEU A 35 38.586 -1.398 30.469 1.00 0.00 ATOM 285 CD2 LEU A 35 38.423 0.136 32.498 1.00 0.00 ATOM 286 O LEU A 35 38.359 -3.044 35.868 1.00 0.00 ATOM 287 C LEU A 35 39.087 -3.415 34.969 1.00 0.00 ATOM 288 N CYS A 36 39.377 -4.698 34.738 1.00 0.00 ATOM 289 CA CYS A 36 38.814 -5.766 35.535 1.00 0.00 ATOM 290 CB CYS A 36 39.137 -7.139 34.918 1.00 0.00 ATOM 291 SG CYS A 36 38.074 -7.527 33.512 1.00 0.00 ATOM 292 O CYS A 36 38.617 -6.038 37.910 1.00 0.00 ATOM 293 C CYS A 36 39.329 -5.686 36.972 1.00 0.00 ATOM 294 N LEU A 37 40.569 -5.226 37.140 1.00 0.00 ATOM 295 CA LEU A 37 41.090 -4.989 38.505 1.00 0.00 ATOM 296 CB LEU A 37 42.608 -4.826 38.484 1.00 0.00 ATOM 297 CG LEU A 37 43.300 -6.170 38.132 1.00 0.00 ATOM 298 CD1 LEU A 37 44.733 -5.903 37.580 1.00 0.00 ATOM 299 CD2 LEU A 37 43.348 -7.118 39.314 1.00 0.00 ATOM 300 O LEU A 37 40.407 -3.732 40.456 1.00 0.00 ATOM 301 C LEU A 37 40.426 -3.824 39.201 1.00 0.00 ATOM 302 N CYS A 38 39.850 -2.912 38.410 1.00 0.00 ATOM 303 CA CYS A 38 39.109 -1.806 39.042 1.00 0.00 ATOM 304 CB CYS A 38 39.006 -0.600 38.099 1.00 0.00 ATOM 305 SG CYS A 38 40.534 0.353 37.844 1.00 0.00 ATOM 306 O CYS A 38 37.215 -1.835 40.495 1.00 0.00 ATOM 307 C CYS A 38 37.704 -2.263 39.451 1.00 0.00 ATOM 308 N SER A 39 37.055 -3.127 38.641 1.00 0.00 ATOM 309 CA SER A 39 35.707 -3.595 39.008 1.00 0.00 ATOM 310 CB SER A 39 34.964 -4.064 37.787 1.00 0.00 ATOM 311 OG SER A 39 35.538 -5.285 37.370 1.00 0.00 ATOM 312 O SER A 39 34.848 -5.026 40.740 1.00 0.00 ATOM 313 C SER A 39 35.788 -4.771 39.975 1.00 0.00 ATOM 314 N GLY A 40 36.879 -5.525 39.914 1.00 0.00 ATOM 315 CA GLY A 40 37.030 -6.706 40.777 1.00 0.00 ATOM 316 O GLY A 40 36.039 -8.882 40.966 1.00 0.00 ATOM 317 C GLY A 40 36.178 -7.864 40.283 1.00 0.00 ATOM 318 N GLU A 41 35.628 -7.713 39.068 1.00 0.00 ATOM 319 CA GLU A 41 34.644 -8.650 38.531 1.00 0.00 ATOM 320 CB GLU A 41 34.078 -8.108 37.208 1.00 0.00 ATOM 321 CG GLU A 41 35.126 -8.062 36.100 1.00 0.00 ATOM 322 CD GLU A 41 34.667 -7.239 34.910 1.00 0.00 ATOM 323 OE1 GLU A 41 34.610 -5.985 34.991 1.00 0.00 ATOM 324 OE2 GLU A 41 34.384 -7.876 33.872 1.00 0.00 ATOM 325 O GLU A 41 34.388 -11.000 38.176 1.00 0.00 ATOM 326 C GLU A 41 35.178 -10.075 38.294 1.00 0.00 ATOM 327 N LYS A 42 36.493 -10.257 38.207 1.00 0.00 ATOM 328 CA LYS A 42 37.050 -11.584 37.880 1.00 0.00 ATOM 329 CB LYS A 42 38.340 -11.475 37.048 1.00 0.00 ATOM 330 CG LYS A 42 38.123 -10.897 35.651 1.00 0.00 ATOM 331 CD LYS A 42 37.004 -11.625 34.922 1.00 0.00 ATOM 332 CE LYS A 42 37.080 -11.398 33.401 1.00 0.00 ATOM 333 NZ LYS A 42 35.876 -11.870 32.643 1.00 0.00 ATOM 334 O LYS A 42 37.652 -13.633 38.921 1.00 0.00 ATOM 335 C LYS A 42 37.270 -12.494 39.091 1.00 0.00 ATOM 336 N GLY A 43 37.066 -11.986 40.305 1.00 0.00 ATOM 337 CA GLY A 43 37.024 -12.863 41.482 1.00 0.00 ATOM 338 O GLY A 43 39.224 -12.203 42.076 1.00 0.00 ATOM 339 C GLY A 43 38.424 -13.117 42.027 1.00 0.00 ATOM 340 N LEU A 44 38.727 -14.359 42.416 1.00 0.00 ATOM 341 CA LEU A 44 40.003 -14.675 43.097 1.00 0.00 ATOM 342 CB LEU A 44 39.855 -15.898 44.047 1.00 0.00 ATOM 343 CG LEU A 44 38.973 -15.642 45.302 1.00 0.00 ATOM 344 CD1 LEU A 44 38.938 -16.836 46.208 1.00 0.00 ATOM 345 CD2 LEU A 44 39.425 -14.408 46.093 1.00 0.00 ATOM 346 O LEU A 44 40.905 -15.616 41.123 1.00 0.00 ATOM 347 C LEU A 44 41.123 -14.939 42.128 1.00 0.00 ATOM 348 N GLY A 45 42.311 -14.398 42.427 1.00 0.00 ATOM 349 CA GLY A 45 43.532 -14.641 41.631 1.00 0.00 ATOM 350 O GLY A 45 43.822 -16.817 42.587 1.00 0.00 ATOM 351 C GLY A 45 43.882 -16.116 41.568 1.00 0.00 ATOM 352 N LYS A 46 44.240 -16.600 40.377 1.00 0.00 ATOM 353 CA LYS A 46 44.537 -18.037 40.187 1.00 0.00 ATOM 354 CB LYS A 46 44.616 -18.368 38.688 1.00 0.00 ATOM 355 CG LYS A 46 43.262 -18.314 38.005 1.00 0.00 ATOM 356 CD LYS A 46 43.375 -18.518 36.529 1.00 0.00 ATOM 357 CE LYS A 46 41.953 -18.598 35.953 1.00 0.00 ATOM 358 NZ LYS A 46 41.986 -18.783 34.506 1.00 0.00 ATOM 359 O LYS A 46 45.904 -19.698 41.233 1.00 0.00 ATOM 360 C LYS A 46 45.810 -18.527 40.848 1.00 0.00 ATOM 361 N THR A 47 46.813 -17.666 40.931 1.00 0.00 ATOM 362 CA THR A 47 48.075 -18.081 41.553 1.00 0.00 ATOM 363 CB THR A 47 49.346 -17.692 40.728 1.00 0.00 ATOM 364 CG2 THR A 47 49.218 -18.206 39.278 1.00 0.00 ATOM 365 OG1 THR A 47 49.516 -16.256 40.742 1.00 0.00 ATOM 366 O THR A 47 48.909 -18.002 43.735 1.00 0.00 ATOM 367 C THR A 47 48.160 -17.502 42.921 1.00 0.00 ATOM 368 N THR A 48 47.425 -16.418 43.185 1.00 0.00 ATOM 369 CA THR A 48 47.544 -15.798 44.521 1.00 0.00 ATOM 370 CB THR A 48 47.712 -14.249 44.497 1.00 0.00 ATOM 371 CG2 THR A 48 48.944 -13.826 43.665 1.00 0.00 ATOM 372 OG1 THR A 48 46.514 -13.646 43.980 1.00 0.00 ATOM 373 O THR A 48 46.633 -16.131 46.688 1.00 0.00 ATOM 374 C THR A 48 46.418 -16.159 45.480 1.00 0.00 ATOM 375 N GLY A 49 45.233 -16.485 44.961 1.00 0.00 ATOM 376 CA GLY A 49 44.062 -16.752 45.826 1.00 0.00 ATOM 377 O GLY A 49 42.840 -15.541 47.519 1.00 0.00 ATOM 378 C GLY A 49 43.556 -15.479 46.519 1.00 0.00 ATOM 379 N LYS A 50 43.953 -14.311 46.020 1.00 0.00 ATOM 380 CA LYS A 50 43.451 -13.072 46.577 1.00 0.00 ATOM 381 CB LYS A 50 44.610 -12.118 46.927 1.00 0.00 ATOM 382 CG LYS A 50 45.695 -12.684 47.842 1.00 0.00 ATOM 383 CD LYS A 50 45.270 -12.686 49.299 1.00 0.00 ATOM 384 CE LYS A 50 46.481 -12.742 50.247 1.00 0.00 ATOM 385 NZ LYS A 50 47.045 -11.375 50.590 1.00 0.00 ATOM 386 O LYS A 50 42.767 -12.625 44.302 1.00 0.00 ATOM 387 C LYS A 50 42.550 -12.426 45.510 1.00 0.00 ATOM 388 N LYS A 51 41.579 -11.638 45.956 1.00 0.00 ATOM 389 CA LYS A 51 40.658 -10.945 45.067 1.00 0.00 ATOM 390 CB LYS A 51 39.691 -10.040 45.848 1.00 0.00 ATOM 391 CG LYS A 51 38.592 -9.468 44.933 1.00 0.00 ATOM 392 CD LYS A 51 37.361 -8.932 45.688 1.00 0.00 ATOM 393 CE LYS A 51 36.304 -8.377 44.725 1.00 0.00 ATOM 394 NZ LYS A 51 35.109 -7.862 45.462 1.00 0.00 ATOM 395 O LYS A 51 42.263 -9.302 44.404 1.00 0.00 ATOM 396 C LYS A 51 41.413 -10.105 44.039 1.00 0.00 ATOM 397 N LEU A 52 41.104 -10.328 42.763 1.00 0.00 ATOM 398 CA LEU A 52 41.660 -9.539 41.682 1.00 0.00 ATOM 399 CB LEU A 52 41.400 -10.248 40.341 1.00 0.00 ATOM 400 CG LEU A 52 42.182 -11.535 40.097 1.00 0.00 ATOM 401 CD1 LEU A 52 41.378 -12.390 39.120 1.00 0.00 ATOM 402 CD2 LEU A 52 43.610 -11.217 39.513 1.00 0.00 ATOM 403 O LEU A 52 40.111 -7.869 40.887 1.00 0.00 ATOM 404 C LEU A 52 41.011 -8.158 41.682 1.00 0.00 ATOM 405 N CYS A 53 41.444 -7.297 42.579 1.00 0.00 ATOM 406 CA CYS A 53 40.790 -5.983 42.694 1.00 0.00 ATOM 407 CB CYS A 53 39.516 -6.099 43.560 1.00 0.00 ATOM 408 SG CYS A 53 38.515 -4.583 43.527 1.00 0.00 ATOM 409 O CYS A 53 42.499 -5.318 44.255 1.00 0.00 ATOM 410 C CYS A 53 41.751 -4.971 43.321 1.00 0.00 ATOM 411 N TYR A 54 41.730 -3.725 42.838 1.00 0.00 ATOM 412 CA TYR A 54 42.563 -2.689 43.462 1.00 0.00 ATOM 413 CB TYR A 54 42.845 -1.550 42.465 1.00 0.00 ATOM 414 CG TYR A 54 43.754 -1.924 41.296 1.00 0.00 ATOM 415 CD1 TYR A 54 44.942 -2.669 41.477 1.00 0.00 ATOM 416 CD2 TYR A 54 43.442 -1.504 40.017 1.00 0.00 ATOM 417 CE1 TYR A 54 45.775 -2.998 40.361 1.00 0.00 ATOM 418 CE2 TYR A 54 44.242 -1.831 38.907 1.00 0.00 ATOM 419 CZ TYR A 54 45.435 -2.556 39.077 1.00 0.00 ATOM 420 OH TYR A 54 46.233 -2.861 37.946 1.00 0.00 ATOM 421 O TYR A 54 42.676 -1.340 45.476 1.00 0.00 ATOM 422 C TYR A 54 41.985 -2.087 44.762 1.00 0.00 ATOM 423 N LYS A 55 40.720 -2.350 45.050 1.00 0.00 ATOM 424 CA LYS A 55 40.094 -1.685 46.188 1.00 0.00 ATOM 425 CB LYS A 55 38.580 -1.976 46.261 1.00 0.00 ATOM 426 CG LYS A 55 37.869 -1.229 47.406 1.00 0.00 ATOM 427 CD LYS A 55 36.358 -1.393 47.286 1.00 0.00 ATOM 428 CE LYS A 55 35.568 -0.841 48.474 1.00 0.00 ATOM 429 NZ LYS A 55 34.074 -0.786 48.126 1.00 0.00 ATOM 430 O LYS A 55 40.842 -3.423 47.649 1.00 0.00 ATOM 431 C LYS A 55 40.774 -2.200 47.450 1.00 0.00 ATOM 432 N GLY A 56 41.261 -1.286 48.299 1.00 0.00 ATOM 433 CA GLY A 56 41.956 -1.680 49.527 1.00 0.00 ATOM 434 O GLY A 56 44.215 -2.099 50.329 1.00 0.00 ATOM 435 C GLY A 56 43.466 -1.886 49.339 1.00 0.00 ATOM 436 N SER A 57 43.928 -1.789 48.087 1.00 0.00 ATOM 437 CA SER A 57 45.352 -1.813 47.776 1.00 0.00 ATOM 438 CB SER A 57 45.575 -2.284 46.308 1.00 0.00 ATOM 439 OG SER A 57 45.335 -1.252 45.335 1.00 0.00 ATOM 440 O SER A 57 45.343 0.576 48.379 1.00 0.00 ATOM 441 C SER A 57 46.025 -0.419 48.094 1.00 0.00 ATOM 442 N THR A 58 47.360 -0.371 48.089 1.00 0.00 ATOM 443 CA THR A 58 48.109 0.826 48.477 1.00 0.00 ATOM 444 CB THR A 58 48.996 0.525 49.706 1.00 0.00 ATOM 445 CG2 THR A 58 48.157 0.042 50.928 1.00 0.00 ATOM 446 OG1 THR A 58 49.883 -0.531 49.381 1.00 0.00 ATOM 447 O THR A 58 49.197 0.600 46.343 1.00 0.00 ATOM 448 C THR A 58 49.022 1.296 47.345 1.00 0.00 ATOM 449 N PHE A 59 49.630 2.468 47.514 1.00 0.00 ATOM 450 CA PHE A 59 50.771 2.843 46.715 1.00 0.00 ATOM 451 CB PHE A 59 50.734 4.329 46.334 1.00 0.00 ATOM 452 CG PHE A 59 49.836 4.602 45.174 1.00 0.00 ATOM 453 CD1 PHE A 59 50.377 4.765 43.904 1.00 0.00 ATOM 454 CD2 PHE A 59 48.434 4.582 45.328 1.00 0.00 ATOM 455 CE1 PHE A 59 49.549 4.962 42.803 1.00 0.00 ATOM 456 CE2 PHE A 59 47.591 4.782 44.228 1.00 0.00 ATOM 457 CZ PHE A 59 48.156 4.992 42.963 1.00 0.00 ATOM 458 O PHE A 59 52.162 3.208 48.579 1.00 0.00 ATOM 459 C PHE A 59 51.971 2.557 47.562 1.00 0.00 ATOM 460 N HIS A 60 52.815 1.619 47.130 1.00 0.00 ATOM 461 CA HIS A 60 53.854 1.088 48.023 1.00 0.00 ATOM 462 CB HIS A 60 53.829 -0.433 47.976 1.00 0.00 ATOM 463 CG HIS A 60 54.224 -0.977 46.640 1.00 0.00 ATOM 464 CD2 HIS A 60 55.446 -1.281 46.135 1.00 0.00 ATOM 465 ND1 HIS A 60 53.310 -1.234 45.637 1.00 0.00 ATOM 466 CE1 HIS A 60 53.954 -1.716 44.587 1.00 0.00 ATOM 467 NE2 HIS A 60 55.254 -1.718 44.850 1.00 0.00 ATOM 468 O HIS A 60 56.194 1.295 48.312 1.00 0.00 ATOM 469 C HIS A 60 55.232 1.572 47.620 1.00 0.00 ATOM 470 N ARG A 61 55.330 2.298 46.509 1.00 0.00 ATOM 471 CA ARG A 61 56.627 2.858 46.072 1.00 0.00 ATOM 472 CB ARG A 61 57.368 1.923 45.074 1.00 0.00 ATOM 473 CG ARG A 61 58.823 2.367 44.665 1.00 0.00 ATOM 474 CD ARG A 61 59.476 1.317 43.701 1.00 0.00 ATOM 475 NE ARG A 61 60.773 1.804 43.206 1.00 0.00 ATOM 476 CZ ARG A 61 61.936 1.626 43.848 1.00 0.00 ATOM 477 NH1 ARG A 61 61.984 0.917 44.988 1.00 0.00 ATOM 478 NH2 ARG A 61 63.067 2.118 43.342 1.00 0.00 ATOM 479 O ARG A 61 55.569 4.453 44.607 1.00 0.00 ATOM 480 C ARG A 61 56.416 4.248 45.493 1.00 0.00 ATOM 481 N VAL A 62 57.182 5.200 46.020 1.00 0.00 ATOM 482 CA VAL A 62 57.024 6.605 45.662 1.00 0.00 ATOM 483 CB VAL A 62 56.319 7.415 46.785 1.00 0.00 ATOM 484 CG1 VAL A 62 56.544 8.918 46.584 1.00 0.00 ATOM 485 CG2 VAL A 62 54.822 7.057 46.846 1.00 0.00 ATOM 486 O VAL A 62 59.289 7.051 46.256 1.00 0.00 ATOM 487 C VAL A 62 58.398 7.176 45.406 1.00 0.00 ATOM 488 N VAL A 63 58.587 7.755 44.220 1.00 0.00 ATOM 489 CA VAL A 63 59.864 8.470 43.926 1.00 0.00 ATOM 490 CB VAL A 63 60.753 7.691 42.920 1.00 0.00 ATOM 491 CG1 VAL A 63 62.108 8.400 42.714 1.00 0.00 ATOM 492 CG2 VAL A 63 60.988 6.238 43.410 1.00 0.00 ATOM 493 O VAL A 63 59.100 10.060 42.311 1.00 0.00 ATOM 494 C VAL A 63 59.585 9.891 43.425 1.00 0.00 ATOM 495 N LYS A 64 59.891 10.892 44.247 1.00 0.00 ATOM 496 CA LYS A 64 59.536 12.255 43.907 1.00 0.00 ATOM 497 CB LYS A 64 59.937 13.227 45.042 1.00 0.00 ATOM 498 CG LYS A 64 59.692 14.702 44.743 1.00 0.00 ATOM 499 CD LYS A 64 59.761 15.529 46.016 1.00 0.00 ATOM 500 CE LYS A 64 60.209 16.987 45.791 1.00 0.00 ATOM 501 NZ LYS A 64 60.598 17.658 47.101 1.00 0.00 ATOM 502 O LYS A 64 61.387 12.402 42.369 1.00 0.00 ATOM 503 C LYS A 64 60.180 12.661 42.590 1.00 0.00 ATOM 504 N ASN A 65 59.377 13.251 41.707 1.00 0.00 ATOM 505 CA ASN A 65 59.854 13.705 40.384 1.00 0.00 ATOM 506 CB ASN A 65 61.114 14.570 40.524 1.00 0.00 ATOM 507 CG ASN A 65 60.846 15.876 41.252 1.00 0.00 ATOM 508 ND2 ASN A 65 61.859 16.373 41.970 1.00 0.00 ATOM 509 OD1 ASN A 65 59.751 16.454 41.151 1.00 0.00 ATOM 510 O ASN A 65 60.786 12.711 38.387 1.00 0.00 ATOM 511 C ASN A 65 60.122 12.557 39.424 1.00 0.00 ATOM 512 N PHE A 66 59.612 11.388 39.768 1.00 0.00 ATOM 513 CA PHE A 66 59.727 10.262 38.854 1.00 0.00 ATOM 514 CB PHE A 66 60.830 9.307 39.352 1.00 0.00 ATOM 515 CG PHE A 66 61.039 8.109 38.487 1.00 0.00 ATOM 516 CD1 PHE A 66 60.915 8.187 37.096 1.00 0.00 ATOM 517 CD2 PHE A 66 61.425 6.892 39.047 1.00 0.00 ATOM 518 CE1 PHE A 66 61.143 7.070 36.293 1.00 0.00 ATOM 519 CE2 PHE A 66 61.623 5.768 38.255 1.00 0.00 ATOM 520 CZ PHE A 66 61.503 5.862 36.869 1.00 0.00 ATOM 521 O PHE A 66 57.795 9.568 37.534 1.00 0.00 ATOM 522 C PHE A 66 58.377 9.561 38.659 1.00 0.00 ATOM 523 N MET A 67 57.877 8.925 39.718 1.00 0.00 ATOM 524 CA MET A 67 56.686 8.118 39.535 1.00 0.00 ATOM 525 CB MET A 67 57.006 6.867 38.705 1.00 0.00 ATOM 526 CG MET A 67 57.983 5.851 39.380 1.00 0.00 ATOM 527 SD MET A 67 57.128 4.582 40.366 1.00 0.00 ATOM 528 CE MET A 67 58.502 4.149 41.436 1.00 0.00 ATOM 529 O MET A 67 56.839 7.716 41.912 1.00 0.00 ATOM 530 C MET A 67 56.122 7.702 40.879 1.00 0.00 ATOM 531 N ILE A 68 54.844 7.332 40.867 1.00 0.00 ATOM 532 CA ILE A 68 54.246 6.589 41.993 1.00 0.00 ATOM 533 CB ILE A 68 53.118 7.419 42.709 1.00 0.00 ATOM 534 CG1 ILE A 68 51.891 7.612 41.792 1.00 0.00 ATOM 535 CG2 ILE A 68 53.743 8.692 43.300 1.00 0.00 ATOM 536 CD1 ILE A 68 50.690 8.359 42.488 1.00 0.00 ATOM 537 O ILE A 68 53.206 5.051 40.440 1.00 0.00 ATOM 538 C ILE A 68 53.724 5.197 41.549 1.00 0.00 ATOM 539 N GLN A 69 53.826 4.195 42.427 1.00 0.00 ATOM 540 CA GLN A 69 53.585 2.802 42.026 1.00 0.00 ATOM 541 CB GLN A 69 54.894 2.000 41.936 1.00 0.00 ATOM 542 CG GLN A 69 54.701 0.464 41.676 1.00 0.00 ATOM 543 CD GLN A 69 55.991 -0.226 41.205 1.00 0.00 ATOM 544 OE1 GLN A 69 56.924 0.442 40.778 1.00 0.00 ATOM 545 NE2 GLN A 69 56.052 -1.563 41.308 1.00 0.00 ATOM 546 O GLN A 69 52.807 2.244 44.169 1.00 0.00 ATOM 547 C GLN A 69 52.656 2.105 42.964 1.00 0.00 ATOM 548 N GLY A 70 51.691 1.353 42.439 1.00 0.00 ATOM 549 CA GLY A 70 50.794 0.599 43.315 1.00 0.00 ATOM 550 O GLY A 70 51.109 -1.228 41.750 1.00 0.00 ATOM 551 C GLY A 70 50.390 -0.720 42.649 1.00 0.00 ATOM 552 N GLY A 71 49.240 -1.252 43.076 1.00 0.00 ATOM 553 CA GLY A 71 48.632 -2.446 42.464 1.00 0.00 ATOM 554 O GLY A 71 48.621 -4.829 42.457 1.00 0.00 ATOM 555 C GLY A 71 49.063 -3.813 42.979 1.00 0.00 ATOM 556 N ASP A 72 49.857 -3.840 44.048 1.00 0.00 ATOM 557 CA ASP A 72 50.291 -5.107 44.607 1.00 0.00 ATOM 558 CB ASP A 72 51.706 -5.012 45.209 1.00 0.00 ATOM 559 CG ASP A 72 52.139 -6.322 45.838 1.00 0.00 ATOM 560 OD1 ASP A 72 51.287 -7.208 45.965 1.00 0.00 ATOM 561 OD2 ASP A 72 53.319 -6.467 46.205 1.00 0.00 ATOM 562 O ASP A 72 49.410 -5.214 46.840 1.00 0.00 ATOM 563 C ASP A 72 49.267 -5.496 45.654 1.00 0.00 ATOM 564 N PHE A 73 48.200 -6.135 45.198 1.00 0.00 ATOM 565 CA PHE A 73 47.068 -6.396 46.082 1.00 0.00 ATOM 566 CB PHE A 73 45.757 -6.569 45.266 1.00 0.00 ATOM 567 CG PHE A 73 45.790 -7.722 44.304 1.00 0.00 ATOM 568 CD1 PHE A 73 45.670 -9.054 44.764 1.00 0.00 ATOM 569 CD2 PHE A 73 45.872 -7.487 42.940 1.00 0.00 ATOM 570 CE1 PHE A 73 45.673 -10.131 43.870 1.00 0.00 ATOM 571 CE2 PHE A 73 45.870 -8.555 42.033 1.00 0.00 ATOM 572 CZ PHE A 73 45.773 -9.883 42.490 1.00 0.00 ATOM 573 O PHE A 73 46.547 -7.788 47.940 1.00 0.00 ATOM 574 C PHE A 73 47.299 -7.598 46.982 1.00 0.00 ATOM 575 N SER A 74 48.319 -8.411 46.687 1.00 0.00 ATOM 576 CA SER A 74 48.514 -9.649 47.450 1.00 0.00 ATOM 577 CB SER A 74 48.791 -10.865 46.566 1.00 0.00 ATOM 578 OG SER A 74 50.036 -10.770 45.895 1.00 0.00 ATOM 579 O SER A 74 49.483 -10.182 49.545 1.00 0.00 ATOM 580 C SER A 74 49.574 -9.514 48.509 1.00 0.00 ATOM 581 N GLU A 75 50.547 -8.630 48.276 1.00 0.00 ATOM 582 CA GLU A 75 51.637 -8.456 49.227 1.00 0.00 ATOM 583 CB GLU A 75 52.948 -8.987 48.655 1.00 0.00 ATOM 584 CG GLU A 75 52.862 -10.355 48.014 1.00 0.00 ATOM 585 CD GLU A 75 53.429 -11.419 48.833 1.00 0.00 ATOM 586 OE1 GLU A 75 53.170 -11.418 50.056 1.00 0.00 ATOM 587 OE2 GLU A 75 54.129 -12.268 48.238 1.00 0.00 ATOM 588 O GLU A 75 52.517 -6.775 50.686 1.00 0.00 ATOM 589 C GLU A 75 51.857 -7.015 49.662 1.00 0.00 ATOM 590 N GLY A 76 51.340 -6.053 48.905 1.00 0.00 ATOM 591 CA GLY A 76 51.519 -4.633 49.287 1.00 0.00 ATOM 592 O GLY A 76 53.247 -3.140 50.035 1.00 0.00 ATOM 593 C GLY A 76 52.970 -4.156 49.382 1.00 0.00 ATOM 594 N ASN A 77 53.907 -4.816 48.691 1.00 0.00 ATOM 595 CA ASN A 77 55.326 -4.425 48.847 1.00 0.00 ATOM 596 CB ASN A 77 56.021 -5.200 49.981 1.00 0.00 ATOM 597 CG ASN A 77 55.993 -6.689 49.766 1.00 0.00 ATOM 598 ND2 ASN A 77 56.297 -7.453 50.815 1.00 0.00 ATOM 599 OD1 ASN A 77 55.698 -7.155 48.666 1.00 0.00 ATOM 600 O ASN A 77 57.335 -4.282 47.566 1.00 0.00 ATOM 601 C ASN A 77 56.131 -4.527 47.569 1.00 0.00 ATOM 602 N GLY A 78 55.465 -4.850 46.467 1.00 0.00 ATOM 603 CA GLY A 78 56.170 -4.937 45.214 1.00 0.00 ATOM 604 O GLY A 78 56.773 -6.612 43.621 1.00 0.00 ATOM 605 C GLY A 78 56.432 -6.365 44.786 1.00 0.00 ATOM 606 N LYS A 79 56.282 -7.318 45.707 1.00 0.00 ATOM 607 CA LYS A 79 56.562 -8.713 45.347 1.00 0.00 ATOM 608 CB LYS A 79 57.109 -9.519 46.542 1.00 0.00 ATOM 609 CG LYS A 79 58.413 -9.000 47.090 1.00 0.00 ATOM 610 CD LYS A 79 58.932 -9.860 48.215 1.00 0.00 ATOM 611 CE LYS A 79 60.182 -9.244 48.827 1.00 0.00 ATOM 612 NZ LYS A 79 61.256 -9.044 47.792 1.00 0.00 ATOM 613 O LYS A 79 55.465 -10.468 44.145 1.00 0.00 ATOM 614 C LYS A 79 55.329 -9.418 44.776 1.00 0.00 ATOM 615 N GLY A 80 54.134 -8.869 45.016 1.00 0.00 ATOM 616 CA GLY A 80 52.909 -9.569 44.665 1.00 0.00 ATOM 617 O GLY A 80 52.648 -8.414 42.518 1.00 0.00 ATOM 618 C GLY A 80 52.115 -9.075 43.466 1.00 0.00 ATOM 619 N GLY A 81 50.831 -9.435 43.512 1.00 0.00 ATOM 620 CA GLY A 81 49.873 -9.152 42.465 1.00 0.00 ATOM 621 O GLY A 81 50.980 -10.842 41.169 1.00 0.00 ATOM 622 C GLY A 81 49.971 -10.158 41.331 1.00 0.00 ATOM 623 N GLU A 82 48.922 -10.226 40.522 1.00 0.00 ATOM 624 CA GLU A 82 48.961 -10.989 39.261 1.00 0.00 ATOM 625 CB GLU A 82 48.709 -12.483 39.541 1.00 0.00 ATOM 626 CG GLU A 82 47.272 -12.771 40.037 1.00 0.00 ATOM 627 CD GLU A 82 47.059 -14.247 40.313 1.00 0.00 ATOM 628 OE1 GLU A 82 47.419 -15.087 39.441 1.00 0.00 ATOM 629 OE2 GLU A 82 46.541 -14.559 41.396 1.00 0.00 ATOM 630 O GLU A 82 46.959 -9.699 38.870 1.00 0.00 ATOM 631 C GLU A 82 47.833 -10.464 38.392 1.00 0.00 ATOM 632 N SER A 83 47.860 -10.845 37.121 1.00 0.00 ATOM 633 CA SER A 83 46.823 -10.454 36.172 1.00 0.00 ATOM 634 CB SER A 83 47.395 -10.485 34.763 1.00 0.00 ATOM 635 OG SER A 83 47.360 -11.818 34.277 1.00 0.00 ATOM 636 O SER A 83 45.550 -12.457 36.805 1.00 0.00 ATOM 637 C SER A 83 45.563 -11.356 36.226 1.00 0.00 ATOM 638 N ILE A 84 44.508 -10.899 35.567 1.00 0.00 ATOM 639 CA ILE A 84 43.267 -11.669 35.435 1.00 0.00 ATOM 640 CB ILE A 84 42.121 -10.791 34.841 1.00 0.00 ATOM 641 CG1 ILE A 84 42.430 -10.333 33.417 1.00 0.00 ATOM 642 CG2 ILE A 84 41.852 -9.596 35.746 1.00 0.00 ATOM 643 CD1 ILE A 84 41.222 -9.788 32.701 1.00 0.00 ATOM 644 O ILE A 84 42.648 -13.838 34.610 1.00 0.00 ATOM 645 C ILE A 84 43.476 -12.927 34.582 1.00 0.00 ATOM 646 N TYR A 85 44.599 -13.007 33.868 1.00 0.00 ATOM 647 CA TYR A 85 44.839 -14.160 33.006 1.00 0.00 ATOM 648 CB TYR A 85 45.691 -13.763 31.787 1.00 0.00 ATOM 649 CG TYR A 85 45.116 -12.505 31.149 1.00 0.00 ATOM 650 CD1 TYR A 85 43.877 -12.538 30.511 1.00 0.00 ATOM 651 CD2 TYR A 85 45.795 -11.284 31.215 1.00 0.00 ATOM 652 CE1 TYR A 85 43.325 -11.394 29.958 1.00 0.00 ATOM 653 CE2 TYR A 85 45.231 -10.108 30.665 1.00 0.00 ATOM 654 CZ TYR A 85 44.007 -10.177 30.038 1.00 0.00 ATOM 655 OH TYR A 85 43.455 -9.041 29.492 1.00 0.00 ATOM 656 O TYR A 85 45.483 -16.421 33.234 1.00 0.00 ATOM 657 C TYR A 85 45.435 -15.338 33.765 1.00 0.00 ATOM 658 N GLY A 86 45.853 -15.108 35.014 1.00 0.00 ATOM 659 CA GLY A 86 46.564 -16.100 35.831 1.00 0.00 ATOM 660 O GLY A 86 48.698 -16.131 34.741 1.00 0.00 ATOM 661 C GLY A 86 48.074 -15.909 35.785 1.00 0.00 ATOM 662 N GLY A 87 48.672 -15.489 36.895 1.00 0.00 ATOM 663 CA GLY A 87 50.076 -15.059 36.865 1.00 0.00 ATOM 664 O GLY A 87 49.420 -12.946 35.902 1.00 0.00 ATOM 665 C GLY A 87 50.249 -13.888 35.907 1.00 0.00 ATOM 666 N TYR A 88 51.332 -13.938 35.120 1.00 0.00 ATOM 667 CA TYR A 88 51.846 -12.791 34.384 1.00 0.00 ATOM 668 CB TYR A 88 53.393 -12.719 34.465 1.00 0.00 ATOM 669 CG TYR A 88 53.982 -12.470 35.839 1.00 0.00 ATOM 670 CD1 TYR A 88 53.264 -11.760 36.801 1.00 0.00 ATOM 671 CD2 TYR A 88 55.262 -12.941 36.183 1.00 0.00 ATOM 672 CE1 TYR A 88 53.786 -11.529 38.073 1.00 0.00 ATOM 673 CE2 TYR A 88 55.795 -12.719 37.463 1.00 0.00 ATOM 674 CZ TYR A 88 55.051 -11.989 38.396 1.00 0.00 ATOM 675 OH TYR A 88 55.516 -11.717 39.667 1.00 0.00 ATOM 676 O TYR A 88 51.135 -13.954 32.463 1.00 0.00 ATOM 677 C TYR A 88 51.431 -12.897 32.917 1.00 0.00 ATOM 678 N PHE A 89 51.375 -11.789 32.194 1.00 0.00 ATOM 679 CA PHE A 89 51.134 -11.843 30.755 1.00 0.00 ATOM 680 CB PHE A 89 49.691 -11.413 30.413 1.00 0.00 ATOM 681 CG PHE A 89 49.355 -9.968 30.768 1.00 0.00 ATOM 682 CD1 PHE A 89 49.264 -9.005 29.775 1.00 0.00 ATOM 683 CD2 PHE A 89 49.091 -9.594 32.080 1.00 0.00 ATOM 684 CE1 PHE A 89 48.925 -7.658 30.059 1.00 0.00 ATOM 685 CE2 PHE A 89 48.775 -8.255 32.396 1.00 0.00 ATOM 686 CZ PHE A 89 48.699 -7.283 31.365 1.00 0.00 ATOM 687 O PHE A 89 52.908 -10.209 30.556 1.00 0.00 ATOM 688 C PHE A 89 52.201 -11.042 29.979 1.00 0.00 ATOM 689 N LYS A 90 52.327 -11.323 28.680 1.00 0.00 ATOM 690 CA LYS A 90 53.382 -10.736 27.855 1.00 0.00 ATOM 691 CB LYS A 90 53.370 -11.375 26.474 1.00 0.00 ATOM 692 CG LYS A 90 53.691 -12.857 26.430 1.00 0.00 ATOM 693 CD LYS A 90 53.897 -13.305 24.971 1.00 0.00 ATOM 694 CE LYS A 90 54.428 -14.742 24.876 1.00 0.00 ATOM 695 NZ LYS A 90 55.853 -14.919 25.318 1.00 0.00 ATOM 696 O LYS A 90 52.134 -8.640 27.812 1.00 0.00 ATOM 697 C LYS A 90 53.241 -9.206 27.683 1.00 0.00 ATOM 698 N ASP A 91 54.376 -8.564 27.390 1.00 0.00 ATOM 699 CA ASP A 91 54.432 -7.150 27.010 1.00 0.00 ATOM 700 CB ASP A 91 55.890 -6.710 26.814 1.00 0.00 ATOM 701 CG ASP A 91 56.683 -6.717 28.120 1.00 0.00 ATOM 702 OD1 ASP A 91 56.127 -6.245 29.146 1.00 0.00 ATOM 703 OD2 ASP A 91 57.851 -7.192 28.133 1.00 0.00 ATOM 704 O ASP A 91 53.981 -7.646 24.661 1.00 0.00 ATOM 705 C ASP A 91 53.625 -7.037 25.706 1.00 0.00 ATOM 706 N GLU A 92 52.492 -6.349 25.788 1.00 0.00 ATOM 707 CA GLU A 92 51.570 -6.326 24.629 1.00 0.00 ATOM 708 CB GLU A 92 50.240 -5.681 25.036 1.00 0.00 ATOM 709 CG GLU A 92 49.135 -5.846 23.984 1.00 0.00 ATOM 710 CD GLU A 92 47.754 -5.508 24.535 1.00 0.00 ATOM 711 OE1 GLU A 92 47.652 -4.913 25.646 1.00 0.00 ATOM 712 OE2 GLU A 92 46.782 -5.853 23.849 1.00 0.00 ATOM 713 O GLU A 92 52.206 -6.105 22.294 1.00 0.00 ATOM 714 C GLU A 92 52.212 -5.607 23.422 1.00 0.00 ATOM 715 N ASN A 93 52.776 -4.431 23.666 1.00 0.00 ATOM 716 CA ASN A 93 53.555 -3.724 22.635 1.00 0.00 ATOM 717 CB ASN A 93 52.672 -3.287 21.443 1.00 0.00 ATOM 718 CG ASN A 93 51.620 -2.268 21.849 1.00 0.00 ATOM 719 ND2 ASN A 93 50.346 -2.641 21.748 1.00 0.00 ATOM 720 OD1 ASN A 93 51.953 -1.163 22.271 1.00 0.00 ATOM 721 O ASN A 93 53.785 -2.196 24.441 1.00 0.00 ATOM 722 C ASN A 93 54.169 -2.524 23.316 1.00 0.00 ATOM 723 N PHE A 94 55.127 -1.880 22.663 1.00 0.00 ATOM 724 CA PHE A 94 55.702 -0.678 23.253 1.00 0.00 ATOM 725 CB PHE A 94 57.193 -0.878 23.517 1.00 0.00 ATOM 726 CG PHE A 94 57.485 -1.980 24.487 1.00 0.00 ATOM 727 CD1 PHE A 94 57.265 -1.801 25.855 1.00 0.00 ATOM 728 CD2 PHE A 94 58.011 -3.208 24.034 1.00 0.00 ATOM 729 CE1 PHE A 94 57.548 -2.838 26.746 1.00 0.00 ATOM 730 CE2 PHE A 94 58.297 -4.237 24.916 1.00 0.00 ATOM 731 CZ PHE A 94 58.070 -4.049 26.276 1.00 0.00 ATOM 732 O PHE A 94 56.364 1.385 22.218 1.00 0.00 ATOM 733 C PHE A 94 55.478 0.528 22.366 1.00 0.00 ATOM 734 N ILE A 95 54.293 0.600 21.765 1.00 0.00 ATOM 735 CA ILE A 95 53.994 1.721 20.868 1.00 0.00 ATOM 736 CB ILE A 95 52.717 1.461 20.081 1.00 0.00 ATOM 737 CG1 ILE A 95 52.877 0.151 19.284 1.00 0.00 ATOM 738 CG2 ILE A 95 52.448 2.628 19.135 1.00 0.00 ATOM 739 CD1 ILE A 95 51.567 -0.372 18.753 1.00 0.00 ATOM 740 O ILE A 95 54.582 4.067 21.063 1.00 0.00 ATOM 741 C ILE A 95 53.960 3.094 21.566 1.00 0.00 ATOM 742 N LEU A 96 53.267 3.177 22.713 1.00 0.00 ATOM 743 CA LEU A 96 53.181 4.426 23.450 1.00 0.00 ATOM 744 CB LEU A 96 51.989 4.430 24.393 1.00 0.00 ATOM 745 CG LEU A 96 50.607 4.506 23.734 1.00 0.00 ATOM 746 CD1 LEU A 96 49.422 4.262 24.751 1.00 0.00 ATOM 747 CD2 LEU A 96 50.440 5.816 23.028 1.00 0.00 ATOM 748 O LEU A 96 55.032 3.717 24.745 1.00 0.00 ATOM 749 C LEU A 96 54.453 4.667 24.227 1.00 0.00 ATOM 750 N LYS A 97 54.913 5.927 24.266 1.00 0.00 ATOM 751 CA LYS A 97 56.182 6.277 24.910 1.00 0.00 ATOM 752 CB LYS A 97 56.990 7.248 24.037 1.00 0.00 ATOM 753 CG LYS A 97 57.147 6.795 22.585 1.00 0.00 ATOM 754 CD LYS A 97 57.765 5.401 22.409 1.00 0.00 ATOM 755 CE LYS A 97 57.723 5.052 20.886 1.00 0.00 ATOM 756 NZ LYS A 97 57.717 3.578 20.776 1.00 0.00 ATOM 757 O LYS A 97 54.797 7.502 26.460 1.00 0.00 ATOM 758 C LYS A 97 55.902 6.978 26.241 1.00 0.00 ATOM 759 N HIS A 98 56.906 7.032 27.113 1.00 0.00 ATOM 760 CA HIS A 98 56.779 7.773 28.388 1.00 0.00 ATOM 761 CB HIS A 98 57.690 7.164 29.465 1.00 0.00 ATOM 762 CG HIS A 98 57.386 5.723 29.766 1.00 0.00 ATOM 763 CD2 HIS A 98 56.711 5.143 30.791 1.00 0.00 ATOM 764 ND1 HIS A 98 57.806 4.693 28.950 1.00 0.00 ATOM 765 CE1 HIS A 98 57.410 3.534 29.461 1.00 0.00 ATOM 766 NE2 HIS A 98 56.736 3.786 30.576 1.00 0.00 ATOM 767 O HIS A 98 58.267 9.638 28.550 1.00 0.00 ATOM 768 C HIS A 98 57.205 9.195 28.097 1.00 0.00 ATOM 769 N ASP A 99 56.400 9.885 27.292 1.00 0.00 ATOM 770 CA ASP A 99 56.810 11.173 26.726 1.00 0.00 ATOM 771 CB ASP A 99 56.386 11.298 25.225 1.00 0.00 ATOM 772 CG ASP A 99 54.868 11.503 25.054 1.00 0.00 ATOM 773 OD1 ASP A 99 54.098 10.895 25.813 1.00 0.00 ATOM 774 OD2 ASP A 99 54.412 12.297 24.169 1.00 0.00 ATOM 775 O ASP A 99 56.307 13.475 27.039 1.00 0.00 ATOM 776 C ASP A 99 56.194 12.328 27.497 1.00 0.00 ATOM 777 N ARG A 100 55.502 12.027 28.607 1.00 0.00 ATOM 778 CA ARG A 100 54.848 13.071 29.362 1.00 0.00 ATOM 779 CB ARG A 100 53.542 13.519 28.673 1.00 0.00 ATOM 780 CG ARG A 100 52.422 12.451 28.713 1.00 0.00 ATOM 781 CD ARG A 100 51.250 12.759 27.762 1.00 0.00 ATOM 782 NE ARG A 100 51.746 12.899 26.402 1.00 0.00 ATOM 783 CZ ARG A 100 51.166 13.623 25.448 1.00 0.00 ATOM 784 NH1 ARG A 100 50.022 14.256 25.684 1.00 0.00 ATOM 785 NH2 ARG A 100 51.739 13.694 24.251 1.00 0.00 ATOM 786 O ARG A 100 54.596 11.414 31.052 1.00 0.00 ATOM 787 C ARG A 100 54.560 12.602 30.764 1.00 0.00 ATOM 788 N ALA A 101 54.250 13.560 31.634 1.00 0.00 ATOM 789 CA ALA A 101 53.792 13.262 32.971 1.00 0.00 ATOM 790 CB ALA A 101 53.734 14.578 33.781 1.00 0.00 ATOM 791 O ALA A 101 51.620 12.783 31.981 1.00 0.00 ATOM 792 C ALA A 101 52.401 12.595 32.938 1.00 0.00 ATOM 793 N PHE A 102 52.103 11.849 33.999 1.00 0.00 ATOM 794 CA PHE A 102 50.761 11.313 34.279 1.00 0.00 ATOM 795 CB PHE A 102 49.712 12.428 34.325 1.00 0.00 ATOM 796 CG PHE A 102 50.071 13.534 35.279 1.00 0.00 ATOM 797 CD1 PHE A 102 50.538 13.239 36.557 1.00 0.00 ATOM 798 CD2 PHE A 102 49.967 14.873 34.895 1.00 0.00 ATOM 799 CE1 PHE A 102 50.879 14.269 37.467 1.00 0.00 ATOM 800 CE2 PHE A 102 50.305 15.925 35.788 1.00 0.00 ATOM 801 CZ PHE A 102 50.775 15.623 37.080 1.00 0.00 ATOM 802 O PHE A 102 49.118 9.833 33.261 1.00 0.00 ATOM 803 C PHE A 102 50.338 10.167 33.384 1.00 0.00 ATOM 804 N LEU A 103 51.327 9.509 32.783 1.00 0.00 ATOM 805 CA LEU A 103 51.016 8.302 32.018 1.00 0.00 ATOM 806 CB LEU A 103 52.129 7.988 31.019 1.00 0.00 ATOM 807 CG LEU A 103 52.084 8.894 29.786 1.00 0.00 ATOM 808 CD1 LEU A 103 53.433 8.780 29.007 1.00 0.00 ATOM 809 CD2 LEU A 103 50.884 8.628 28.862 1.00 0.00 ATOM 810 O LEU A 103 51.537 7.099 33.990 1.00 0.00 ATOM 811 C LEU A 103 50.876 7.128 32.957 1.00 0.00 ATOM 812 N LEU A 104 50.056 6.149 32.578 1.00 0.00 ATOM 813 CA LEU A 104 49.877 4.924 33.358 1.00 0.00 ATOM 814 CB LEU A 104 48.406 4.585 33.446 1.00 0.00 ATOM 815 CG LEU A 104 47.966 3.315 34.167 1.00 0.00 ATOM 816 CD1 LEU A 104 48.296 3.372 35.653 1.00 0.00 ATOM 817 CD2 LEU A 104 46.446 3.177 33.976 1.00 0.00 ATOM 818 O LEU A 104 50.291 3.666 31.330 1.00 0.00 ATOM 819 C LEU A 104 50.547 3.818 32.551 1.00 0.00 ATOM 820 N SER A 105 51.374 3.035 33.240 1.00 0.00 ATOM 821 CA SER A 105 52.294 2.126 32.604 1.00 0.00 ATOM 822 CB SER A 105 53.642 2.871 32.435 1.00 0.00 ATOM 823 OG SER A 105 54.571 2.133 31.670 1.00 0.00 ATOM 824 O SER A 105 52.217 0.967 34.695 1.00 0.00 ATOM 825 C SER A 105 52.447 0.891 33.488 1.00 0.00 ATOM 826 N MET A 106 52.803 -0.250 32.917 1.00 0.00 ATOM 827 CA MET A 106 52.877 -1.492 33.749 1.00 0.00 ATOM 828 CB MET A 106 52.664 -2.757 32.905 1.00 0.00 ATOM 829 CG MET A 106 51.183 -2.956 32.407 1.00 0.00 ATOM 830 SD MET A 106 50.011 -3.027 33.752 1.00 0.00 ATOM 831 CE MET A 106 50.404 -4.685 34.375 1.00 0.00 ATOM 832 O MET A 106 55.244 -1.487 33.824 1.00 0.00 ATOM 833 C MET A 106 54.217 -1.601 34.463 1.00 0.00 ATOM 834 N ALA A 107 54.205 -1.800 35.776 1.00 0.00 ATOM 835 CA ALA A 107 55.411 -2.214 36.522 1.00 0.00 ATOM 836 CB ALA A 107 55.106 -2.273 38.029 1.00 0.00 ATOM 837 O ALA A 107 54.890 -4.367 35.626 1.00 0.00 ATOM 838 C ALA A 107 55.771 -3.625 36.033 1.00 0.00 ATOM 839 N ASN A 108 57.041 -4.035 36.146 1.00 0.00 ATOM 840 CA ASN A 108 57.407 -5.413 35.811 1.00 0.00 ATOM 841 CB ASN A 108 57.390 -5.635 34.280 1.00 0.00 ATOM 842 CG ASN A 108 58.475 -4.884 33.553 1.00 0.00 ATOM 843 ND2 ASN A 108 58.107 -4.172 32.480 1.00 0.00 ATOM 844 OD1 ASN A 108 59.632 -4.948 33.931 1.00 0.00 ATOM 845 O ASN A 108 59.381 -4.926 37.118 1.00 0.00 ATOM 846 C ASN A 108 58.741 -5.785 36.467 1.00 0.00 ATOM 847 N ARG A 109 59.158 -7.037 36.316 1.00 0.00 ATOM 848 CA ARG A 109 60.497 -7.453 36.759 1.00 0.00 ATOM 849 CB ARG A 109 60.389 -8.400 37.950 1.00 0.00 ATOM 850 CG ARG A 109 59.385 -9.518 37.807 1.00 0.00 ATOM 851 CD ARG A 109 59.224 -10.202 39.171 1.00 0.00 ATOM 852 NE ARG A 109 58.850 -11.616 39.089 1.00 0.00 ATOM 853 CZ ARG A 109 58.554 -12.378 40.154 1.00 0.00 ATOM 854 NH1 ARG A 109 58.585 -11.858 41.385 1.00 0.00 ATOM 855 NH2 ARG A 109 58.218 -13.665 40.005 1.00 0.00 ATOM 856 O ARG A 109 62.030 -9.053 35.815 1.00 0.00 ATOM 857 C ARG A 109 61.319 -8.069 35.627 1.00 0.00 ATOM 858 N GLY A 110 61.224 -7.467 34.446 1.00 0.00 ATOM 859 CA GLY A 110 61.824 -8.063 33.243 1.00 0.00 ATOM 860 O GLY A 110 59.535 -8.108 32.419 1.00 0.00 ATOM 861 C GLY A 110 60.757 -8.344 32.201 1.00 0.00 ATOM 862 N LYS A 111 61.191 -8.825 31.037 1.00 0.00 ATOM 863 CA LYS A 111 60.272 -9.044 29.911 1.00 0.00 ATOM 864 CB LYS A 111 61.015 -9.567 28.670 1.00 0.00 ATOM 865 CG LYS A 111 61.907 -8.523 28.035 1.00 0.00 ATOM 866 CD LYS A 111 62.469 -9.035 26.699 1.00 0.00 ATOM 867 CE LYS A 111 63.131 -7.862 25.913 1.00 0.00 ATOM 868 NZ LYS A 111 62.141 -6.741 25.588 1.00 0.00 ATOM 869 O LYS A 111 59.307 -10.954 30.981 1.00 0.00 ATOM 870 C LYS A 111 59.114 -9.968 30.271 1.00 0.00 ATOM 871 N HIS A 112 57.906 -9.597 29.845 1.00 0.00 ATOM 872 CA HIS A 112 56.756 -10.476 29.978 1.00 0.00 ATOM 873 CB HIS A 112 56.980 -11.700 29.088 1.00 0.00 ATOM 874 CG HIS A 112 57.244 -11.335 27.663 1.00 0.00 ATOM 875 CD2 HIS A 112 56.622 -10.448 26.845 1.00 0.00 ATOM 876 ND1 HIS A 112 58.281 -11.874 26.925 1.00 0.00 ATOM 877 CE1 HIS A 112 58.273 -11.345 25.710 1.00 0.00 ATOM 878 NE2 HIS A 112 57.277 -10.481 25.637 1.00 0.00 ATOM 879 O HIS A 112 56.143 -12.040 31.715 1.00 0.00 ATOM 880 C HIS A 112 56.418 -10.860 31.420 1.00 0.00 ATOM 881 N THR A 113 56.422 -9.871 32.329 1.00 0.00 ATOM 882 CA THR A 113 56.124 -10.177 33.707 1.00 0.00 ATOM 883 CB THR A 113 57.386 -10.158 34.605 1.00 0.00 ATOM 884 CG2 THR A 113 58.386 -11.241 34.193 1.00 0.00 ATOM 885 OG1 THR A 113 58.001 -8.863 34.552 1.00 0.00 ATOM 886 O THR A 113 55.152 -8.760 35.374 1.00 0.00 ATOM 887 C THR A 113 55.080 -9.188 34.223 1.00 0.00 ATOM 888 N ASN A 114 54.114 -8.851 33.354 1.00 0.00 ATOM 889 CA ASN A 114 53.039 -7.930 33.701 1.00 0.00 ATOM 890 CB ASN A 114 52.338 -7.406 32.449 1.00 0.00 ATOM 891 CG ASN A 114 53.283 -6.673 31.517 1.00 0.00 ATOM 892 ND2 ASN A 114 53.691 -5.498 31.934 1.00 0.00 ATOM 893 OD1 ASN A 114 53.644 -7.168 30.426 1.00 0.00 ATOM 894 O ASN A 114 51.556 -9.730 34.242 1.00 0.00 ATOM 895 C ASN A 114 52.035 -8.646 34.581 1.00 0.00 ATOM 896 N GLY A 115 51.683 -8.034 35.712 1.00 0.00 ATOM 897 CA GLY A 115 50.722 -8.677 36.606 1.00 0.00 ATOM 898 O GLY A 115 48.785 -7.479 35.980 1.00 0.00 ATOM 899 C GLY A 115 49.580 -7.735 36.870 1.00 0.00 ATOM 900 N SER A 116 49.557 -7.168 38.083 1.00 0.00 ATOM 901 CA SER A 116 48.610 -6.109 38.429 1.00 0.00 ATOM 902 CB SER A 116 47.711 -6.586 39.598 1.00 0.00 ATOM 903 OG SER A 116 48.482 -6.843 40.781 1.00 0.00 ATOM 904 O SER A 116 48.627 -3.724 38.848 1.00 0.00 ATOM 905 C SER A 116 49.286 -4.784 38.791 1.00 0.00 ATOM 906 N GLN A 117 50.575 -4.821 39.088 1.00 0.00 ATOM 907 CA GLN A 117 51.244 -3.589 39.508 1.00 0.00 ATOM 908 CB GLN A 117 52.597 -3.886 40.188 1.00 0.00 ATOM 909 CG GLN A 117 52.510 -4.737 41.491 1.00 0.00 ATOM 910 CD GLN A 117 53.867 -4.867 42.133 1.00 0.00 ATOM 911 OE1 GLN A 117 54.559 -3.866 42.307 1.00 0.00 ATOM 912 NE2 GLN A 117 54.275 -6.092 42.467 1.00 0.00 ATOM 913 O GLN A 117 51.632 -3.042 37.154 1.00 0.00 ATOM 914 C GLN A 117 51.388 -2.621 38.303 1.00 0.00 ATOM 915 N PHE A 118 51.242 -1.325 38.592 1.00 0.00 ATOM 916 CA PHE A 118 51.256 -0.252 37.591 1.00 0.00 ATOM 917 CB PHE A 118 49.796 0.188 37.299 1.00 0.00 ATOM 918 CG PHE A 118 49.085 0.711 38.554 1.00 0.00 ATOM 919 CD1 PHE A 118 49.251 2.058 38.952 1.00 0.00 ATOM 920 CD2 PHE A 118 48.347 -0.160 39.379 1.00 0.00 ATOM 921 CE1 PHE A 118 48.686 2.523 40.170 1.00 0.00 ATOM 922 CE2 PHE A 118 47.749 0.311 40.569 1.00 0.00 ATOM 923 CZ PHE A 118 47.916 1.665 40.948 1.00 0.00 ATOM 924 O PHE A 118 52.193 0.986 39.460 1.00 0.00 ATOM 925 C PHE A 118 52.006 0.936 38.234 1.00 0.00 ATOM 926 N PHE A 119 52.418 1.908 37.439 1.00 0.00 ATOM 927 CA PHE A 119 52.944 3.104 38.036 1.00 0.00 ATOM 928 CB PHE A 119 54.487 3.091 38.125 1.00 0.00 ATOM 929 CG PHE A 119 55.194 2.919 36.778 1.00 0.00 ATOM 930 CD1 PHE A 119 55.739 4.030 36.128 1.00 0.00 ATOM 931 CD2 PHE A 119 55.313 1.646 36.180 1.00 0.00 ATOM 932 CE1 PHE A 119 56.426 3.897 34.904 1.00 0.00 ATOM 933 CE2 PHE A 119 55.978 1.485 34.957 1.00 0.00 ATOM 934 CZ PHE A 119 56.553 2.628 34.310 1.00 0.00 ATOM 935 O PHE A 119 52.055 4.060 36.016 1.00 0.00 ATOM 936 C PHE A 119 52.448 4.267 37.187 1.00 0.00 ATOM 937 N ILE A 120 52.436 5.450 37.797 1.00 0.00 ATOM 938 CA ILE A 120 52.024 6.712 37.144 1.00 0.00 ATOM 939 CB ILE A 120 50.875 7.384 37.920 1.00 0.00 ATOM 940 CG1 ILE A 120 49.659 6.411 38.051 1.00 0.00 ATOM 941 CG2 ILE A 120 50.505 8.823 37.313 1.00 0.00 ATOM 942 CD1 ILE A 120 48.491 6.848 39.078 1.00 0.00 ATOM 943 O ILE A 120 53.879 7.799 38.247 1.00 0.00 ATOM 944 C ILE A 120 53.273 7.613 37.180 1.00 0.00 ATOM 945 N THR A 121 53.718 8.097 36.020 1.00 0.00 ATOM 946 CA THR A 121 54.912 8.920 35.971 1.00 0.00 ATOM 947 CB THR A 121 55.497 8.914 34.552 1.00 0.00 ATOM 948 CG2 THR A 121 55.835 7.510 34.088 1.00 0.00 ATOM 949 OG1 THR A 121 54.494 9.401 33.658 1.00 0.00 ATOM 950 O THR A 121 53.360 10.771 36.200 1.00 0.00 ATOM 951 C THR A 121 54.523 10.372 36.341 1.00 0.00 ATOM 952 N THR A 122 55.494 11.184 36.763 1.00 0.00 ATOM 953 CA THR A 122 55.187 12.553 37.035 1.00 0.00 ATOM 954 CB THR A 122 55.314 12.851 38.554 1.00 0.00 ATOM 955 CG2 THR A 122 54.341 11.945 39.366 1.00 0.00 ATOM 956 OG1 THR A 122 56.646 12.544 38.982 1.00 0.00 ATOM 957 O THR A 122 56.099 14.649 36.281 1.00 0.00 ATOM 958 C THR A 122 56.082 13.415 36.165 1.00 0.00 ATOM 959 N LYS A 123 56.802 12.762 35.260 1.00 0.00 ATOM 960 CA LYS A 123 57.607 13.454 34.243 1.00 0.00 ATOM 961 CB LYS A 123 58.909 13.966 34.874 1.00 0.00 ATOM 962 CG LYS A 123 59.911 12.865 35.174 1.00 0.00 ATOM 963 CD LYS A 123 61.301 13.404 35.570 1.00 0.00 ATOM 964 CE LYS A 123 61.589 14.810 35.009 1.00 0.00 ATOM 965 NZ LYS A 123 63.043 15.220 35.085 1.00 0.00 ATOM 966 O LYS A 123 57.726 11.280 33.169 1.00 0.00 ATOM 967 C LYS A 123 57.899 12.516 33.045 1.00 0.00 ATOM 968 N PRO A 124 58.355 13.079 31.890 1.00 0.00 ATOM 969 CA PRO A 124 58.758 12.193 30.801 1.00 0.00 ATOM 970 CB PRO A 124 59.338 13.162 29.769 1.00 0.00 ATOM 971 CG PRO A 124 58.608 14.443 30.037 1.00 0.00 ATOM 972 CD PRO A 124 58.544 14.498 31.524 1.00 0.00 ATOM 973 O PRO A 124 60.655 11.617 32.165 1.00 0.00 ATOM 974 C PRO A 124 59.843 11.224 31.312 1.00 0.00 ATOM 975 N ALA A 125 59.840 9.979 30.835 1.00 0.00 ATOM 976 CA ALA A 125 60.825 9.013 31.298 1.00 0.00 ATOM 977 CB ALA A 125 60.206 8.179 32.403 1.00 0.00 ATOM 978 O ALA A 125 60.934 6.953 30.067 1.00 0.00 ATOM 979 C ALA A 125 61.255 8.136 30.113 1.00 0.00 ATOM 980 N PRO A 126 61.911 8.734 29.103 1.00 0.00 ATOM 981 CA PRO A 126 62.147 7.991 27.870 1.00 0.00 ATOM 982 CB PRO A 126 62.784 9.023 26.948 1.00 0.00 ATOM 983 CG PRO A 126 63.381 10.094 27.910 1.00 0.00 ATOM 984 CD PRO A 126 62.384 10.134 29.026 1.00 0.00 ATOM 985 O PRO A 126 62.983 5.870 27.201 1.00 0.00 ATOM 986 C PRO A 126 63.051 6.762 28.022 1.00 0.00 ATOM 987 N HIS A 127 63.862 6.694 29.074 1.00 0.00 ATOM 988 CA HIS A 127 64.668 5.522 29.301 1.00 0.00 ATOM 989 CB HIS A 127 65.686 5.718 30.455 1.00 0.00 ATOM 990 CG HIS A 127 65.064 6.014 31.785 1.00 0.00 ATOM 991 CD2 HIS A 127 65.129 5.344 32.968 1.00 0.00 ATOM 992 ND1 HIS A 127 64.308 7.151 32.025 1.00 0.00 ATOM 993 CE1 HIS A 127 63.942 7.166 33.297 1.00 0.00 ATOM 994 NE2 HIS A 127 64.403 6.070 33.883 1.00 0.00 ATOM 995 O HIS A 127 64.290 3.190 29.485 1.00 0.00 ATOM 996 C HIS A 127 63.794 4.310 29.576 1.00 0.00 ATOM 997 N LEU A 128 62.508 4.523 29.889 1.00 0.00 ATOM 998 CA LEU A 128 61.578 3.379 30.123 1.00 0.00 ATOM 999 CB LEU A 128 60.529 3.721 31.209 1.00 0.00 ATOM 1000 CG LEU A 128 61.067 4.186 32.589 1.00 0.00 ATOM 1001 CD1 LEU A 128 59.902 4.462 33.592 1.00 0.00 ATOM 1002 CD2 LEU A 128 61.978 3.118 33.127 1.00 0.00 ATOM 1003 O LEU A 128 60.213 1.832 28.850 1.00 0.00 ATOM 1004 C LEU A 128 60.891 2.857 28.829 1.00 0.00 ATOM 1005 N ASP A 129 61.092 3.543 27.700 1.00 0.00 ATOM 1006 CA ASP A 129 60.448 3.150 26.468 1.00 0.00 ATOM 1007 CB ASP A 129 60.652 4.201 25.360 1.00 0.00 ATOM 1008 CG ASP A 129 60.062 5.553 25.714 1.00 0.00 ATOM 1009 OD1 ASP A 129 59.222 5.614 26.632 1.00 0.00 ATOM 1010 OD2 ASP A 129 60.451 6.566 25.082 1.00 0.00 ATOM 1011 O ASP A 129 62.202 1.577 25.957 1.00 0.00 ATOM 1012 C ASP A 129 61.003 1.786 26.016 1.00 0.00 ATOM 1013 N GLY A 130 60.103 0.872 25.688 1.00 0.00 ATOM 1014 CA GLY A 130 60.484 -0.477 25.242 1.00 0.00 ATOM 1015 O GLY A 130 61.240 -2.541 26.259 1.00 0.00 ATOM 1016 C GLY A 130 60.781 -1.384 26.434 1.00 0.00 ATOM 1017 N VAL A 131 60.521 -0.873 27.640 1.00 0.00 ATOM 1018 CA VAL A 131 60.712 -1.598 28.895 1.00 0.00 ATOM 1019 CB VAL A 131 61.714 -0.829 29.837 1.00 0.00 ATOM 1020 CG1 VAL A 131 62.080 -1.671 31.061 1.00 0.00 ATOM 1021 CG2 VAL A 131 62.993 -0.465 29.093 1.00 0.00 ATOM 1022 O VAL A 131 59.078 -2.981 30.086 1.00 0.00 ATOM 1023 C VAL A 131 59.372 -1.848 29.647 1.00 0.00 ATOM 1024 N HIS A 132 58.573 -0.786 29.781 1.00 0.00 ATOM 1025 CA HIS A 132 57.278 -0.833 30.449 1.00 0.00 ATOM 1026 CB HIS A 132 57.254 0.152 31.615 1.00 0.00 ATOM 1027 CG HIS A 132 58.252 -0.190 32.666 1.00 0.00 ATOM 1028 CD2 HIS A 132 59.544 0.184 32.825 1.00 0.00 ATOM 1029 ND1 HIS A 132 58.003 -1.146 33.624 1.00 0.00 ATOM 1030 CE1 HIS A 132 59.085 -1.297 34.376 1.00 0.00 ATOM 1031 NE2 HIS A 132 60.032 -0.495 33.915 1.00 0.00 ATOM 1032 O HIS A 132 56.370 0.521 28.710 1.00 0.00 ATOM 1033 C HIS A 132 56.214 -0.467 29.452 1.00 0.00 ATOM 1034 N VAL A 133 55.129 -1.244 29.439 1.00 0.00 ATOM 1035 CA VAL A 133 54.028 -0.994 28.530 1.00 0.00 ATOM 1036 CB VAL A 133 53.119 -2.266 28.356 1.00 0.00 ATOM 1037 CG1 VAL A 133 51.893 -1.951 27.494 1.00 0.00 ATOM 1038 CG2 VAL A 133 53.898 -3.440 27.749 1.00 0.00 ATOM 1039 O VAL A 133 52.561 0.092 30.139 1.00 0.00 ATOM 1040 C VAL A 133 53.181 0.183 29.053 1.00 0.00 ATOM 1041 N VAL A 134 53.134 1.257 28.264 1.00 0.00 ATOM 1042 CA VAL A 134 52.224 2.425 28.528 1.00 0.00 ATOM 1043 CB VAL A 134 52.753 3.714 27.882 1.00 0.00 ATOM 1044 CG1 VAL A 134 51.763 4.919 28.063 1.00 0.00 ATOM 1045 CG2 VAL A 134 54.155 4.019 28.392 1.00 0.00 ATOM 1046 O VAL A 134 50.723 1.753 26.766 1.00 0.00 ATOM 1047 C VAL A 134 50.840 2.129 27.952 1.00 0.00 ATOM 1048 N PHE A 135 49.777 2.297 28.763 1.00 0.00 ATOM 1049 CA PHE A 135 48.459 1.979 28.267 1.00 0.00 ATOM 1050 CB PHE A 135 48.090 0.527 28.668 1.00 0.00 ATOM 1051 CG PHE A 135 48.007 0.330 30.156 1.00 0.00 ATOM 1052 CD1 PHE A 135 46.769 0.351 30.801 1.00 0.00 ATOM 1053 CD2 PHE A 135 49.165 0.170 30.919 1.00 0.00 ATOM 1054 CE1 PHE A 135 46.673 0.212 32.202 1.00 0.00 ATOM 1055 CE2 PHE A 135 49.088 0.029 32.319 1.00 0.00 ATOM 1056 CZ PHE A 135 47.831 0.023 32.960 1.00 0.00 ATOM 1057 O PHE A 135 46.161 2.742 28.338 1.00 0.00 ATOM 1058 C PHE A 135 47.359 2.983 28.621 1.00 0.00 ATOM 1059 N GLY A 136 47.731 4.108 29.234 1.00 0.00 ATOM 1060 CA GLY A 136 46.689 4.986 29.764 1.00 0.00 ATOM 1061 O GLY A 136 48.467 6.502 30.224 1.00 0.00 ATOM 1062 C GLY A 136 47.243 6.297 30.217 1.00 0.00 ATOM 1063 N LEU A 137 46.347 7.201 30.606 1.00 0.00 ATOM 1064 CA LEU A 137 46.761 8.540 30.999 1.00 0.00 ATOM 1065 CB LEU A 137 46.595 9.469 29.789 1.00 0.00 ATOM 1066 CG LEU A 137 46.791 10.984 29.888 1.00 0.00 ATOM 1067 CD1 LEU A 137 48.264 11.360 30.276 1.00 0.00 ATOM 1068 CD2 LEU A 137 46.443 11.584 28.533 1.00 0.00 ATOM 1069 O LEU A 137 44.608 8.806 32.018 1.00 0.00 ATOM 1070 C LEU A 137 45.821 9.036 32.093 1.00 0.00 ATOM 1071 N VAL A 138 46.361 9.732 33.088 1.00 0.00 ATOM 1072 CA VAL A 138 45.525 10.372 34.110 1.00 0.00 ATOM 1073 CB VAL A 138 46.317 10.708 35.400 1.00 0.00 ATOM 1074 CG1 VAL A 138 45.460 11.501 36.392 1.00 0.00 ATOM 1075 CG2 VAL A 138 46.841 9.408 36.053 1.00 0.00 ATOM 1076 O VAL A 138 45.619 12.434 32.842 1.00 0.00 ATOM 1077 C VAL A 138 44.917 11.628 33.479 1.00 0.00 ATOM 1078 N ILE A 139 43.609 11.795 33.621 1.00 0.00 ATOM 1079 CA ILE A 139 42.982 12.955 33.037 1.00 0.00 ATOM 1080 CB ILE A 139 41.928 12.507 31.960 1.00 0.00 ATOM 1081 CG1 ILE A 139 40.838 11.621 32.570 1.00 0.00 ATOM 1082 CG2 ILE A 139 42.615 11.775 30.796 1.00 0.00 ATOM 1083 CD1 ILE A 139 39.520 11.598 31.728 1.00 0.00 ATOM 1084 O ILE A 139 41.837 14.935 33.796 1.00 0.00 ATOM 1085 C ILE A 139 42.358 13.846 34.107 1.00 0.00 ATOM 1086 N SER A 140 42.366 13.390 35.367 1.00 0.00 ATOM 1087 CA SER A 140 41.884 14.204 36.450 1.00 0.00 ATOM 1088 CB SER A 140 40.339 14.132 36.549 1.00 0.00 ATOM 1089 OG SER A 140 39.914 15.087 37.492 1.00 0.00 ATOM 1090 O SER A 140 42.727 12.413 37.812 1.00 0.00 ATOM 1091 C SER A 140 42.474 13.648 37.728 1.00 0.00 ATOM 1092 N GLY A 141 42.655 14.533 38.724 1.00 0.00 ATOM 1093 CA GLY A 141 43.280 14.176 39.997 1.00 0.00 ATOM 1094 O GLY A 141 45.473 13.723 40.849 1.00 0.00 ATOM 1095 C GLY A 141 44.768 14.422 40.111 1.00 0.00 ATOM 1096 N PHE A 142 45.263 15.424 39.400 1.00 0.00 ATOM 1097 CA PHE A 142 46.692 15.746 39.378 1.00 0.00 ATOM 1098 CB PHE A 142 46.925 16.836 38.322 1.00 0.00 ATOM 1099 CG PHE A 142 46.330 16.466 36.975 1.00 0.00 ATOM 1100 CD1 PHE A 142 46.788 15.320 36.298 1.00 0.00 ATOM 1101 CD2 PHE A 142 45.287 17.220 36.405 1.00 0.00 ATOM 1102 CE1 PHE A 142 46.253 14.960 35.059 1.00 0.00 ATOM 1103 CE2 PHE A 142 44.719 16.853 35.177 1.00 0.00 ATOM 1104 CZ PHE A 142 45.197 15.728 34.507 1.00 0.00 ATOM 1105 O PHE A 142 48.341 15.848 41.152 1.00 0.00 ATOM 1106 C PHE A 142 47.192 16.150 40.768 1.00 0.00 ATOM 1107 N GLU A 143 46.324 16.836 41.521 1.00 0.00 ATOM 1108 CA GLU A 143 46.691 17.280 42.871 1.00 0.00 ATOM 1109 CB GLU A 143 45.673 18.288 43.425 1.00 0.00 ATOM 1110 CG GLU A 143 44.276 17.700 43.715 1.00 0.00 ATOM 1111 CD GLU A 143 43.429 17.336 42.449 1.00 0.00 ATOM 1112 OE1 GLU A 143 43.770 17.753 41.276 1.00 0.00 ATOM 1113 OE2 GLU A 143 42.406 16.641 42.680 1.00 0.00 ATOM 1114 O GLU A 143 47.716 16.102 44.686 1.00 0.00 ATOM 1115 C GLU A 143 46.888 16.061 43.806 1.00 0.00 ATOM 1116 N VAL A 144 46.124 14.988 43.591 1.00 0.00 ATOM 1117 CA VAL A 144 46.259 13.747 44.365 1.00 0.00 ATOM 1118 CB VAL A 144 45.186 12.684 43.982 1.00 0.00 ATOM 1119 CG1 VAL A 144 45.223 11.521 44.942 1.00 0.00 ATOM 1120 CG2 VAL A 144 43.778 13.263 43.962 1.00 0.00 ATOM 1121 O VAL A 144 48.300 12.634 45.007 1.00 0.00 ATOM 1122 C VAL A 144 47.624 13.114 44.088 1.00 0.00 ATOM 1123 N ILE A 145 47.994 13.064 42.806 1.00 0.00 ATOM 1124 CA ILE A 145 49.253 12.475 42.398 1.00 0.00 ATOM 1125 CB ILE A 145 49.435 12.488 40.839 1.00 0.00 ATOM 1126 CG1 ILE A 145 48.302 11.726 40.110 1.00 0.00 ATOM 1127 CG2 ILE A 145 50.819 11.960 40.415 1.00 0.00 ATOM 1128 CD1 ILE A 145 48.069 10.376 40.604 1.00 0.00 ATOM 1129 O ILE A 145 51.282 12.700 43.692 1.00 0.00 ATOM 1130 C ILE A 145 50.362 13.285 43.107 1.00 0.00 ATOM 1131 N GLU A 146 50.267 14.619 43.027 1.00 0.00 ATOM 1132 CA GLU A 146 51.277 15.525 43.619 1.00 0.00 ATOM 1133 CB GLU A 146 50.832 17.000 43.518 1.00 0.00 ATOM 1134 CG GLU A 146 51.892 18.000 44.132 1.00 0.00 ATOM 1135 CD GLU A 146 51.444 19.471 44.185 1.00 0.00 ATOM 1136 OE1 GLU A 146 50.258 19.755 44.492 1.00 0.00 ATOM 1137 OE2 GLU A 146 52.308 20.350 43.928 1.00 0.00 ATOM 1138 O GLU A 146 52.547 15.134 45.621 1.00 0.00 ATOM 1139 C GLU A 146 51.438 15.213 45.090 1.00 0.00 ATOM 1140 N GLN A 147 50.301 15.109 45.762 1.00 0.00 ATOM 1141 CA GLN A 147 50.301 14.864 47.178 1.00 0.00 ATOM 1142 CB GLN A 147 48.860 14.919 47.706 1.00 0.00 ATOM 1143 CG GLN A 147 48.841 15.211 49.170 1.00 0.00 ATOM 1144 CD GLN A 147 47.467 15.402 49.778 1.00 0.00 ATOM 1145 OE1 GLN A 147 46.483 15.773 49.109 1.00 0.00 ATOM 1146 NE2 GLN A 147 47.408 15.180 51.090 1.00 0.00 ATOM 1147 O GLN A 147 51.902 13.490 48.393 1.00 0.00 ATOM 1148 C GLN A 147 51.006 13.524 47.531 1.00 0.00 ATOM 1149 N ILE A 148 50.630 12.444 46.837 1.00 0.00 ATOM 1150 CA ILE A 148 51.237 11.144 47.037 1.00 0.00 ATOM 1151 CB ILE A 148 50.598 10.046 46.124 1.00 0.00 ATOM 1152 CG1 ILE A 148 49.142 9.783 46.517 1.00 0.00 ATOM 1153 CG2 ILE A 148 51.414 8.695 46.234 1.00 0.00 ATOM 1154 CD1 ILE A 148 48.335 8.970 45.483 1.00 0.00 ATOM 1155 O ILE A 148 53.553 10.679 47.512 1.00 0.00 ATOM 1156 C ILE A 148 52.744 11.204 46.747 1.00 0.00 ATOM 1157 N GLU A 149 53.105 11.805 45.615 1.00 0.00 ATOM 1158 CA GLU A 149 54.509 11.952 45.189 1.00 0.00 ATOM 1159 CB GLU A 149 54.525 12.798 43.892 1.00 0.00 ATOM 1160 CG GLU A 149 55.829 12.843 43.196 1.00 0.00 ATOM 1161 CD GLU A 149 55.886 13.891 42.111 1.00 0.00 ATOM 1162 OE1 GLU A 149 54.929 14.679 41.901 1.00 0.00 ATOM 1163 OE2 GLU A 149 56.884 13.881 41.388 1.00 0.00 ATOM 1164 O GLU A 149 56.654 12.389 46.203 1.00 0.00 ATOM 1165 C GLU A 149 55.426 12.640 46.203 1.00 0.00 ATOM 1166 N ASN A 150 54.855 13.533 47.026 1.00 0.00 ATOM 1167 CA ASN A 150 55.651 14.301 47.999 1.00 0.00 ATOM 1168 CB ASN A 150 55.207 15.747 48.030 1.00 0.00 ATOM 1169 CG ASN A 150 55.700 16.500 46.813 1.00 0.00 ATOM 1170 ND2 ASN A 150 54.901 16.530 45.739 1.00 0.00 ATOM 1171 OD1 ASN A 150 56.819 16.995 46.815 1.00 0.00 ATOM 1172 O ASN A 150 56.368 14.221 50.302 1.00 0.00 ATOM 1173 C ASN A 150 55.716 13.681 49.389 1.00 0.00 ATOM 1174 N LEU A 151 55.129 12.495 49.537 1.00 0.00 ATOM 1175 CA LEU A 151 55.191 11.817 50.854 1.00 0.00 ATOM 1176 CB LEU A 151 54.248 10.610 50.888 1.00 0.00 ATOM 1177 CG LEU A 151 52.731 10.859 50.732 1.00 0.00 ATOM 1178 CD1 LEU A 151 52.025 9.569 50.483 1.00 0.00 ATOM 1179 CD2 LEU A 151 52.141 11.572 51.972 1.00 0.00 ATOM 1180 O LEU A 151 57.366 10.986 50.350 1.00 0.00 ATOM 1181 C LEU A 151 56.603 11.387 51.217 1.00 0.00 ATOM 1182 N LYS A 152 56.944 11.484 52.511 1.00 0.00 ATOM 1183 CA LYS A 152 58.185 10.927 53.066 1.00 0.00 ATOM 1184 CB LYS A 152 58.235 11.193 54.589 1.00 0.00 ATOM 1185 CG LYS A 152 59.568 10.918 55.244 1.00 0.00 ATOM 1186 CD LYS A 152 60.501 12.113 55.079 1.00 0.00 ATOM 1187 CE LYS A 152 61.957 11.654 54.917 1.00 0.00 ATOM 1188 NZ LYS A 152 62.536 11.141 56.173 1.00 0.00 ATOM 1189 O LYS A 152 57.309 8.696 53.173 1.00 0.00 ATOM 1190 C LYS A 152 58.259 9.426 52.859 1.00 0.00 ATOM 1191 N THR A 153 59.394 8.937 52.382 1.00 0.00 ATOM 1192 CA THR A 153 59.533 7.508 52.160 1.00 0.00 ATOM 1193 CB THR A 153 59.786 7.214 50.717 1.00 0.00 ATOM 1194 CG2 THR A 153 58.596 7.660 49.867 1.00 0.00 ATOM 1195 OG1 THR A 153 60.949 7.922 50.288 1.00 0.00 ATOM 1196 O THR A 153 61.573 7.775 53.315 1.00 0.00 ATOM 1197 C THR A 153 60.726 6.986 52.916 1.00 0.00 ATOM 1198 N ASP A 154 60.833 5.667 53.076 1.00 0.00 ATOM 1199 CA ASP A 154 62.024 5.113 53.690 1.00 0.00 ATOM 1200 CB ASP A 154 61.698 3.821 54.460 1.00 0.00 ATOM 1201 CG ASP A 154 61.194 2.703 53.542 1.00 0.00 ATOM 1202 OD1 ASP A 154 61.358 2.814 52.291 1.00 0.00 ATOM 1203 OD2 ASP A 154 60.603 1.733 54.077 1.00 0.00 ATOM 1204 O ASP A 154 62.953 5.362 51.488 1.00 0.00 ATOM 1205 C ASP A 154 63.097 4.899 52.627 1.00 0.00 ATOM 1206 N ALA A 155 64.165 4.178 52.996 1.00 0.00 ATOM 1207 CA ALA A 155 65.304 3.929 52.100 1.00 0.00 ATOM 1208 CB ALA A 155 66.463 3.258 52.850 1.00 0.00 ATOM 1209 O ALA A 155 65.485 3.245 49.815 1.00 0.00 ATOM 1210 C ALA A 155 64.883 3.109 50.881 1.00 0.00 ATOM 1211 N ALA A 156 63.833 2.281 51.027 1.00 0.00 ATOM 1212 CA ALA A 156 63.360 1.482 49.893 1.00 0.00 ATOM 1213 CB ALA A 156 62.850 0.096 50.357 1.00 0.00 ATOM 1214 O ALA A 156 61.576 1.598 48.257 1.00 0.00 ATOM 1215 C ALA A 156 62.287 2.226 49.075 1.00 0.00 ATOM 1216 N SER A 157 62.174 3.546 49.298 1.00 0.00 ATOM 1217 CA SER A 157 61.151 4.396 48.647 1.00 0.00 ATOM 1218 CB SER A 157 61.368 4.418 47.114 1.00 0.00 ATOM 1219 OG SER A 157 62.605 5.055 46.781 1.00 0.00 ATOM 1220 O SER A 157 58.774 4.188 48.233 1.00 0.00 ATOM 1221 C SER A 157 59.713 3.957 48.992 1.00 0.00 ATOM 1222 N ARG A 158 59.533 3.304 50.131 1.00 0.00 ATOM 1223 CA ARG A 158 58.182 2.968 50.600 1.00 0.00 ATOM 1224 CB ARG A 158 58.230 1.629 51.331 1.00 0.00 ATOM 1225 CG ARG A 158 56.914 1.177 51.917 1.00 0.00 ATOM 1226 CD ARG A 158 57.113 -0.174 52.576 1.00 0.00 ATOM 1227 NE ARG A 158 55.939 -0.643 53.311 1.00 0.00 ATOM 1228 CZ ARG A 158 55.121 -1.608 52.897 1.00 0.00 ATOM 1229 NH1 ARG A 158 55.316 -2.202 51.725 1.00 0.00 ATOM 1230 NH2 ARG A 158 54.104 -1.986 53.669 1.00 0.00 ATOM 1231 O ARG A 158 58.314 4.443 52.537 1.00 0.00 ATOM 1232 C ARG A 158 57.650 4.099 51.537 1.00 0.00 ATOM 1233 N PRO A 159 56.473 4.677 51.210 1.00 0.00 ATOM 1234 CA PRO A 159 55.916 5.776 52.007 1.00 0.00 ATOM 1235 CB PRO A 159 54.526 6.031 51.358 1.00 0.00 ATOM 1236 CG PRO A 159 54.600 5.447 50.033 1.00 0.00 ATOM 1237 CD PRO A 159 55.566 4.281 50.104 1.00 0.00 ATOM 1238 O PRO A 159 55.209 4.139 53.568 1.00 0.00 ATOM 1239 C PRO A 159 55.669 5.262 53.416 1.00 0.00 ATOM 1240 N TYR A 160 55.963 6.045 54.443 1.00 0.00 ATOM 1241 CA TYR A 160 55.527 5.661 55.783 1.00 0.00 ATOM 1242 CB TYR A 160 56.244 6.513 56.814 1.00 0.00 ATOM 1243 CG TYR A 160 57.746 6.372 56.806 1.00 0.00 ATOM 1244 CD1 TYR A 160 58.365 5.264 57.384 1.00 0.00 ATOM 1245 CD2 TYR A 160 58.555 7.376 56.263 1.00 0.00 ATOM 1246 CE1 TYR A 160 59.769 5.148 57.422 1.00 0.00 ATOM 1247 CE2 TYR A 160 59.945 7.276 56.297 1.00 0.00 ATOM 1248 CZ TYR A 160 60.548 6.163 56.874 1.00 0.00 ATOM 1249 OH TYR A 160 61.923 6.053 56.906 1.00 0.00 ATOM 1250 O TYR A 160 53.436 5.013 56.833 1.00 0.00 ATOM 1251 C TYR A 160 54.006 5.776 56.038 1.00 0.00 ATOM 1252 N ALA A 161 53.351 6.739 55.388 1.00 0.00 ATOM 1253 CA ALA A 161 51.937 6.931 55.575 1.00 0.00 ATOM 1254 CB ALA A 161 51.523 8.333 55.114 1.00 0.00 ATOM 1255 O ALA A 161 51.704 5.169 53.936 1.00 0.00 ATOM 1256 C ALA A 161 51.160 5.852 54.821 1.00 0.00 ATOM 1257 N ASP A 162 49.898 5.680 55.209 1.00 0.00 ATOM 1258 CA ASP A 162 48.995 4.745 54.560 1.00 0.00 ATOM 1259 CB ASP A 162 47.862 4.367 55.530 1.00 0.00 ATOM 1260 CG ASP A 162 46.848 3.391 54.920 1.00 0.00 ATOM 1261 OD1 ASP A 162 47.230 2.286 54.529 1.00 0.00 ATOM 1262 OD2 ASP A 162 45.660 3.743 54.824 1.00 0.00 ATOM 1263 O ASP A 162 47.620 6.314 53.451 1.00 0.00 ATOM 1264 C ASP A 162 48.417 5.410 53.323 1.00 0.00 ATOM 1265 N VAL A 163 48.782 4.940 52.129 1.00 0.00 ATOM 1266 CA VAL A 163 48.246 5.545 50.886 1.00 0.00 ATOM 1267 CB VAL A 163 49.337 5.980 49.871 1.00 0.00 ATOM 1268 CG1 VAL A 163 48.714 6.717 48.637 1.00 0.00 ATOM 1269 CG2 VAL A 163 50.390 6.862 50.548 1.00 0.00 ATOM 1270 O VAL A 163 47.753 3.541 49.610 1.00 0.00 ATOM 1271 C VAL A 163 47.319 4.530 50.253 1.00 0.00 ATOM 1272 N ARG A 164 46.031 4.762 50.443 1.00 0.00 ATOM 1273 CA ARG A 164 45.064 3.693 50.246 1.00 0.00 ATOM 1274 CB ARG A 164 44.311 3.507 51.563 1.00 0.00 ATOM 1275 CG ARG A 164 43.355 2.318 51.639 1.00 0.00 ATOM 1276 CD ARG A 164 44.084 0.976 51.773 1.00 0.00 ATOM 1277 NE ARG A 164 45.051 0.886 52.892 1.00 0.00 ATOM 1278 CZ ARG A 164 45.528 -0.265 53.373 1.00 0.00 ATOM 1279 NH1 ARG A 164 45.086 -1.434 52.880 1.00 0.00 ATOM 1280 NH2 ARG A 164 46.398 -0.265 54.381 1.00 0.00 ATOM 1281 O ARG A 164 43.496 5.094 49.028 1.00 0.00 ATOM 1282 C ARG A 164 44.088 3.990 49.088 1.00 0.00 ATOM 1283 N VAL A 165 43.900 3.006 48.204 1.00 0.00 ATOM 1284 CA VAL A 165 42.836 3.064 47.191 1.00 0.00 ATOM 1285 CB VAL A 165 43.112 2.172 45.957 1.00 0.00 ATOM 1286 CG1 VAL A 165 41.987 2.267 44.937 1.00 0.00 ATOM 1287 CG2 VAL A 165 44.419 2.599 45.257 1.00 0.00 ATOM 1288 O VAL A 165 41.324 1.412 48.088 1.00 0.00 ATOM 1289 C VAL A 165 41.575 2.610 47.915 1.00 0.00 ATOM 1290 N ILE A 166 40.776 3.576 48.352 1.00 0.00 ATOM 1291 CA ILE A 166 39.630 3.234 49.212 1.00 0.00 ATOM 1292 CB ILE A 166 39.276 4.426 50.180 1.00 0.00 ATOM 1293 CG1 ILE A 166 38.653 3.905 51.471 1.00 0.00 ATOM 1294 CG2 ILE A 166 38.461 5.540 49.496 1.00 0.00 ATOM 1295 CD1 ILE A 166 39.677 3.199 52.361 1.00 0.00 ATOM 1296 O ILE A 166 37.543 2.068 48.869 1.00 0.00 ATOM 1297 C ILE A 166 38.451 2.762 48.375 1.00 0.00 ATOM 1298 N ASP A 167 38.452 3.154 47.095 1.00 0.00 ATOM 1299 CA ASP A 167 37.384 2.732 46.208 1.00 0.00 ATOM 1300 CB ASP A 167 36.107 3.581 46.383 1.00 0.00 ATOM 1301 CG ASP A 167 34.876 2.924 45.741 1.00 0.00 ATOM 1302 OD1 ASP A 167 34.890 1.699 45.496 1.00 0.00 ATOM 1303 OD2 ASP A 167 33.922 3.651 45.409 1.00 0.00 ATOM 1304 O ASP A 167 38.995 3.497 44.605 1.00 0.00 ATOM 1305 C ASP A 167 37.971 2.834 44.817 1.00 0.00 ATOM 1306 N CYS A 168 37.379 2.129 43.881 1.00 0.00 ATOM 1307 CA CYS A 168 37.811 2.217 42.487 1.00 0.00 ATOM 1308 CB CYS A 168 39.110 1.444 42.261 1.00 0.00 ATOM 1309 SG CYS A 168 39.122 -0.276 42.883 1.00 0.00 ATOM 1310 O CYS A 168 35.807 0.937 42.252 1.00 0.00 ATOM 1311 C CYS A 168 36.674 1.602 41.681 1.00 0.00 ATOM 1312 N GLY A 169 36.663 1.827 40.373 1.00 0.00 ATOM 1313 CA GLY A 169 35.597 1.268 39.575 1.00 0.00 ATOM 1314 O GLY A 169 36.537 2.606 37.856 1.00 0.00 ATOM 1315 C GLY A 169 35.749 1.696 38.150 1.00 0.00 ATOM 1316 N VAL A 170 34.957 1.068 37.277 1.00 0.00 ATOM 1317 CA VAL A 170 34.939 1.372 35.839 1.00 0.00 ATOM 1318 CB VAL A 170 34.653 0.030 35.097 1.00 0.00 ATOM 1319 CG1 VAL A 170 34.293 0.236 33.597 1.00 0.00 ATOM 1320 CG2 VAL A 170 35.784 -0.933 35.342 1.00 0.00 ATOM 1321 O VAL A 170 32.735 2.211 36.240 1.00 0.00 ATOM 1322 C VAL A 170 33.785 2.327 35.587 1.00 0.00 ATOM 1323 N LEU A 171 33.987 3.301 34.692 1.00 0.00 ATOM 1324 CA LEU A 171 32.952 4.281 34.404 1.00 0.00 ATOM 1325 CB LEU A 171 33.592 5.616 34.028 1.00 0.00 ATOM 1326 CG LEU A 171 33.960 6.446 35.256 1.00 0.00 ATOM 1327 CD1 LEU A 171 35.299 6.109 35.818 1.00 0.00 ATOM 1328 CD2 LEU A 171 33.945 7.912 34.850 1.00 0.00 ATOM 1329 O LEU A 171 32.594 2.920 32.518 1.00 0.00 ATOM 1330 C LEU A 171 32.119 3.776 33.252 1.00 0.00 ATOM 1331 N ALA A 172 30.922 4.339 33.065 1.00 0.00 ATOM 1332 CA ALA A 172 29.988 3.863 32.027 1.00 0.00 ATOM 1333 CB ALA A 172 28.625 4.527 32.178 1.00 0.00 ATOM 1334 O ALA A 172 30.673 5.198 30.175 1.00 0.00 ATOM 1335 C ALA A 172 30.507 4.067 30.600 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2118200602.pdb -s /var/tmp/to_scwrl_2118200602.seq -o /var/tmp/from_scwrl_2118200602.pdb > /var/tmp/scwrl_2118200602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118200602.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 166 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -98.401 # GDT_score(maxd=8.000,maxw=2.900)= -99.514 # GDT_score(maxd=8.000,maxw=3.200)= -98.914 # GDT_score(maxd=8.000,maxw=3.500)= -97.912 # GDT_score(maxd=10.000,maxw=3.800)= -98.168 # GDT_score(maxd=10.000,maxw=4.000)= -97.394 # GDT_score(maxd=10.000,maxw=4.200)= -96.529 # GDT_score(maxd=12.000,maxw=4.300)= -97.406 # GDT_score(maxd=12.000,maxw=4.500)= -96.565 # GDT_score(maxd=12.000,maxw=4.700)= -95.561 # GDT_score(maxd=14.000,maxw=5.200)= -94.268 # GDT_score(maxd=14.000,maxw=5.500)= -92.344 # command:# request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1009917371.pdb -s /var/tmp/to_scwrl_1009917371.seq -o /var/tmp/from_scwrl_1009917371.pdb > /var/tmp/scwrl_1009917371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1009917371.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 170 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -98.547 # GDT_score(maxd=8.000,maxw=2.900)= -99.597 # GDT_score(maxd=8.000,maxw=3.200)= -99.001 # GDT_score(maxd=8.000,maxw=3.500)= -98.034 # GDT_score(maxd=10.000,maxw=3.800)= -98.274 # GDT_score(maxd=10.000,maxw=4.000)= -97.528 # GDT_score(maxd=10.000,maxw=4.200)= -96.674 # GDT_score(maxd=12.000,maxw=4.300)= -97.536 # GDT_score(maxd=12.000,maxw=4.500)= -96.714 # GDT_score(maxd=12.000,maxw=4.700)= -95.754 # GDT_score(maxd=14.000,maxw=5.200)= -94.449 # GDT_score(maxd=14.000,maxw=5.500)= -92.521 # command:# request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_906910313.pdb -s /var/tmp/to_scwrl_906910313.seq -o /var/tmp/from_scwrl_906910313.pdb > /var/tmp/scwrl_906910313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906910313.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 170 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -98.401 # GDT_score(maxd=8.000,maxw=2.900)= -99.637 # GDT_score(maxd=8.000,maxw=3.200)= -98.964 # GDT_score(maxd=8.000,maxw=3.500)= -97.924 # GDT_score(maxd=10.000,maxw=3.800)= -98.179 # GDT_score(maxd=10.000,maxw=4.000)= -97.412 # GDT_score(maxd=10.000,maxw=4.200)= -96.547 # GDT_score(maxd=12.000,maxw=4.300)= -97.425 # GDT_score(maxd=12.000,maxw=4.500)= -96.595 # GDT_score(maxd=12.000,maxw=4.700)= -95.652 # GDT_score(maxd=14.000,maxw=5.200)= -94.362 # GDT_score(maxd=14.000,maxw=5.500)= -92.483 # command:# request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1875534980.pdb -s /var/tmp/to_scwrl_1875534980.seq -o /var/tmp/from_scwrl_1875534980.pdb > /var/tmp/scwrl_1875534980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1875534980.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.942 # GDT_score = -89.244 # GDT_score(maxd=8.000,maxw=2.900)= -90.433 # GDT_score(maxd=8.000,maxw=3.200)= -89.442 # GDT_score(maxd=8.000,maxw=3.500)= -88.218 # GDT_score(maxd=10.000,maxw=3.800)= -88.817 # GDT_score(maxd=10.000,maxw=4.000)= -87.899 # GDT_score(maxd=10.000,maxw=4.200)= -86.911 # GDT_score(maxd=12.000,maxw=4.300)= -88.117 # GDT_score(maxd=12.000,maxw=4.500)= -87.158 # GDT_score(maxd=12.000,maxw=4.700)= -86.102 # GDT_score(maxd=14.000,maxw=5.200)= -84.837 # GDT_score(maxd=14.000,maxw=5.500)= -82.682 # command:# request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1749942190.pdb -s /var/tmp/to_scwrl_1749942190.seq -o /var/tmp/from_scwrl_1749942190.pdb > /var/tmp/scwrl_1749942190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1749942190.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 T0346.try1-opt2.pdb looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -98.401 # GDT_score(maxd=8.000,maxw=2.900)= -99.638 # GDT_score(maxd=8.000,maxw=3.200)= -98.980 # GDT_score(maxd=8.000,maxw=3.500)= -97.942 # GDT_score(maxd=10.000,maxw=3.800)= -98.195 # GDT_score(maxd=10.000,maxw=4.000)= -97.426 # GDT_score(maxd=10.000,maxw=4.200)= -96.561 # GDT_score(maxd=12.000,maxw=4.300)= -97.438 # GDT_score(maxd=12.000,maxw=4.500)= -96.608 # GDT_score(maxd=12.000,maxw=4.700)= -95.663 # GDT_score(maxd=14.000,maxw=5.200)= -94.374 # GDT_score(maxd=14.000,maxw=5.500)= -92.491 # command:# Prefix for output files set to # command:EXPDTA T0346.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0346.try1-opt2.pdb ATOM 1 N SER A 1 39.217 3.965 25.100 1.00 0.00 ATOM 2 CA SER A 1 38.310 5.095 25.460 1.00 0.00 ATOM 3 CB SER A 1 37.320 5.087 23.986 1.00 0.00 ATOM 4 OG SER A 1 36.269 4.250 24.452 1.00 0.00 ATOM 5 O SER A 1 36.918 5.795 27.274 1.00 0.00 ATOM 6 C SER A 1 37.675 4.929 26.883 1.00 0.00 ATOM 7 N PRO A 2 37.927 3.795 27.472 1.00 0.00 ATOM 8 CA PRO A 2 37.323 3.552 28.831 1.00 0.00 ATOM 9 CB PRO A 2 37.617 2.047 29.020 1.00 0.00 ATOM 10 CG PRO A 2 38.982 1.927 28.417 1.00 0.00 ATOM 11 CD PRO A 2 38.826 2.715 27.129 1.00 0.00 ATOM 12 O PRO A 2 39.027 4.974 29.682 1.00 0.00 ATOM 13 C PRO A 2 37.882 4.558 29.839 1.00 0.00 ATOM 14 N GLN A 3 37.083 4.902 30.838 1.00 0.00 ATOM 15 CA GLN A 3 37.554 5.727 31.949 1.00 0.00 ATOM 16 CB GLN A 3 36.622 6.919 32.149 1.00 0.00 ATOM 17 CG GLN A 3 36.557 7.829 30.928 1.00 0.00 ATOM 18 CD GLN A 3 35.406 8.806 30.971 1.00 0.00 ATOM 19 OE1 GLN A 3 35.012 9.287 32.039 1.00 0.00 ATOM 20 NE2 GLN A 3 34.860 9.114 29.801 1.00 0.00 ATOM 21 O GLN A 3 36.392 4.307 33.460 1.00 0.00 ATOM 22 C GLN A 3 37.436 4.953 33.236 1.00 0.00 ATOM 23 N CYS A 4 38.451 5.042 34.094 1.00 0.00 ATOM 24 CA CYS A 4 38.427 4.409 35.389 1.00 0.00 ATOM 25 CB CYS A 4 39.555 3.388 35.450 1.00 0.00 ATOM 26 SG CYS A 4 39.270 1.881 34.524 1.00 0.00 ATOM 27 O CYS A 4 39.446 6.393 36.312 1.00 0.00 ATOM 28 C CYS A 4 38.796 5.371 36.537 1.00 0.00 ATOM 29 N HIS A 5 38.357 5.072 37.756 1.00 0.00 ATOM 30 CA HIS A 5 38.658 5.952 38.880 1.00 0.00 ATOM 31 CB HIS A 5 37.568 7.128 38.807 1.00 0.00 ATOM 32 CG HIS A 5 36.224 6.616 39.224 1.00 0.00 ATOM 33 CD2 HIS A 5 35.524 6.782 40.371 1.00 0.00 ATOM 34 ND1 HIS A 5 35.460 5.792 38.425 1.00 0.00 ATOM 35 CE1 HIS A 5 34.348 5.472 39.064 1.00 0.00 ATOM 36 NE2 HIS A 5 34.362 6.058 40.246 1.00 0.00 ATOM 37 O HIS A 5 38.660 4.305 40.612 1.00 0.00 ATOM 38 C HIS A 5 39.180 5.350 40.188 1.00 0.00 ATOM 39 N PHE A 6 40.101 6.066 40.767 1.00 0.00 ATOM 40 CA PHE A 6 40.635 5.676 42.075 1.00 0.00 ATOM 41 CB PHE A 6 42.137 5.405 41.979 1.00 0.00 ATOM 42 CG PHE A 6 42.471 4.136 41.240 1.00 0.00 ATOM 43 CD1 PHE A 6 42.322 4.061 39.858 1.00 0.00 ATOM 44 CD2 PHE A 6 42.918 3.011 41.929 1.00 0.00 ATOM 45 CE1 PHE A 6 42.608 2.883 39.173 1.00 0.00 ATOM 46 CE2 PHE A 6 43.208 1.827 41.252 1.00 0.00 ATOM 47 CZ PHE A 6 43.053 1.763 39.868 1.00 0.00 ATOM 48 O PHE A 6 40.904 7.890 42.915 1.00 0.00 ATOM 49 C PHE A 6 40.451 6.771 43.120 1.00 0.00 ATOM 50 N ASP A 7 39.714 6.470 44.187 1.00 0.00 ATOM 51 CA ASP A 7 39.521 7.417 45.287 1.00 0.00 ATOM 52 CB ASP A 7 38.114 7.277 45.873 1.00 0.00 ATOM 53 CG ASP A 7 37.838 8.285 46.971 1.00 0.00 ATOM 54 OD1 ASP A 7 38.761 9.049 47.322 1.00 0.00 ATOM 55 OD2 ASP A 7 36.697 8.313 47.479 1.00 0.00 ATOM 56 O ASP A 7 40.602 5.922 46.847 1.00 0.00 ATOM 57 C ASP A 7 40.539 7.061 46.343 1.00 0.00 ATOM 58 N ILE A 8 41.445 8.020 46.626 1.00 0.00 ATOM 59 CA ILE A 8 42.613 7.674 47.473 1.00 0.00 ATOM 60 CB ILE A 8 43.958 8.074 46.708 1.00 0.00 ATOM 61 CG1 ILE A 8 44.271 7.117 45.563 1.00 0.00 ATOM 62 CG2 ILE A 8 45.144 8.138 47.686 1.00 0.00 ATOM 63 CD1 ILE A 8 45.307 7.655 44.553 1.00 0.00 ATOM 64 O ILE A 8 42.177 9.560 48.881 1.00 0.00 ATOM 65 C ILE A 8 42.577 8.403 48.808 1.00 0.00 ATOM 66 N GLU A 9 42.972 7.697 49.865 1.00 0.00 ATOM 67 CA GLU A 9 43.050 8.285 51.198 1.00 0.00 ATOM 68 CB GLU A 9 42.136 7.537 52.170 1.00 0.00 ATOM 69 CG GLU A 9 40.656 7.647 51.841 1.00 0.00 ATOM 70 CD GLU A 9 39.779 6.938 52.853 1.00 0.00 ATOM 71 OE1 GLU A 9 40.330 6.322 53.790 1.00 0.00 ATOM 72 OE2 GLU A 9 38.539 6.997 52.710 1.00 0.00 ATOM 73 O GLU A 9 45.233 7.256 51.374 1.00 0.00 ATOM 74 C GLU A 9 44.500 8.191 51.712 1.00 0.00 ATOM 75 N ILE A 10 44.929 9.204 52.459 1.00 0.00 ATOM 76 CA ILE A 10 46.266 9.225 53.044 1.00 0.00 ATOM 77 CB ILE A 10 47.146 10.386 52.503 1.00 0.00 ATOM 78 CG1 ILE A 10 47.186 10.412 50.990 1.00 0.00 ATOM 79 CG2 ILE A 10 48.511 10.279 53.146 1.00 0.00 ATOM 80 CD1 ILE A 10 47.996 11.615 50.477 1.00 0.00 ATOM 81 O ILE A 10 45.489 10.224 55.085 1.00 0.00 ATOM 82 C ILE A 10 46.012 9.244 54.549 1.00 0.00 ATOM 83 N ASN A 11 46.342 8.140 55.215 1.00 0.00 ATOM 84 CA ASN A 11 46.102 7.990 56.653 1.00 0.00 ATOM 85 CB ASN A 11 47.112 8.531 57.487 1.00 0.00 ATOM 86 CG ASN A 11 47.760 9.816 57.025 1.00 0.00 ATOM 87 ND2 ASN A 11 49.074 9.911 57.177 1.00 0.00 ATOM 88 OD1 ASN A 11 47.078 10.717 56.535 1.00 0.00 ATOM 89 O ASN A 11 44.297 9.004 57.883 1.00 0.00 ATOM 90 C ASN A 11 44.627 8.249 56.966 1.00 0.00 ATOM 91 N ARG A 12 43.749 7.660 56.156 1.00 0.00 ATOM 92 CA ARG A 12 42.317 7.813 56.357 1.00 0.00 ATOM 93 CB ARG A 12 41.983 7.806 57.850 1.00 0.00 ATOM 94 CG ARG A 12 42.245 6.476 58.537 1.00 0.00 ATOM 95 CD ARG A 12 41.947 6.556 60.026 1.00 0.00 ATOM 96 NE ARG A 12 42.936 7.360 60.740 1.00 0.00 ATOM 97 CZ ARG A 12 44.014 6.861 61.335 1.00 0.00 ATOM 98 NH1 ARG A 12 44.858 7.669 61.962 1.00 0.00 ATOM 99 NH2 ARG A 12 44.246 5.556 61.305 1.00 0.00 ATOM 100 O ARG A 12 40.453 9.152 55.721 1.00 0.00 ATOM 101 C ARG A 12 41.676 9.085 55.837 1.00 0.00 ATOM 102 N GLU A 13 42.483 10.094 55.530 1.00 0.00 ATOM 103 CA GLU A 13 41.950 11.358 55.029 1.00 0.00 ATOM 104 CB GLU A 13 42.817 12.535 55.482 1.00 0.00 ATOM 105 CG GLU A 13 42.330 13.889 54.994 1.00 0.00 ATOM 106 CD GLU A 13 43.222 15.028 55.448 1.00 0.00 ATOM 107 OE1 GLU A 13 44.224 14.756 56.142 1.00 0.00 ATOM 108 OE2 GLU A 13 42.919 16.192 55.110 1.00 0.00 ATOM 109 O GLU A 13 42.944 11.128 52.858 1.00 0.00 ATOM 110 C GLU A 13 41.918 11.353 53.503 1.00 0.00 ATOM 111 N PRO A 14 40.736 11.598 52.939 1.00 0.00 ATOM 112 CA PRO A 14 40.541 11.615 51.489 1.00 0.00 ATOM 113 CB PRO A 14 39.054 11.928 51.318 1.00 0.00 ATOM 114 CG PRO A 14 38.426 11.467 52.591 1.00 0.00 ATOM 115 CD PRO A 14 39.420 11.765 53.678 1.00 0.00 ATOM 116 O PRO A 14 41.367 13.837 51.099 1.00 0.00 ATOM 117 C PRO A 14 41.420 12.645 50.781 1.00 0.00 ATOM 118 N VAL A 15 42.267 12.167 49.863 1.00 0.00 ATOM 119 CA VAL A 15 43.166 13.043 49.122 1.00 0.00 ATOM 120 CB VAL A 15 44.558 12.443 48.970 1.00 0.00 ATOM 121 CG1 VAL A 15 45.489 13.433 48.279 1.00 0.00 ATOM 122 CG2 VAL A 15 45.104 12.086 50.350 1.00 0.00 ATOM 123 O VAL A 15 42.651 14.582 47.348 1.00 0.00 ATOM 124 C VAL A 15 42.435 13.482 47.852 1.00 0.00 ATOM 125 N GLY A 16 41.568 12.612 47.340 1.00 0.00 ATOM 126 CA GLY A 16 40.816 12.940 46.145 1.00 0.00 ATOM 127 O GLY A 16 41.096 10.658 45.498 1.00 0.00 ATOM 128 C GLY A 16 40.711 11.784 45.177 1.00 0.00 ATOM 129 N ARG A 17 40.219 12.083 43.975 1.00 0.00 ATOM 130 CA ARG A 17 40.027 11.098 42.915 1.00 0.00 ATOM 131 CB ARG A 17 38.624 11.203 42.308 1.00 0.00 ATOM 132 CG ARG A 17 37.533 10.720 43.234 1.00 0.00 ATOM 133 CD ARG A 17 36.177 10.883 42.614 1.00 0.00 ATOM 134 NE ARG A 17 35.049 10.382 43.330 1.00 0.00 ATOM 135 CZ ARG A 17 34.295 10.985 44.234 1.00 0.00 ATOM 136 NH1 ARG A 17 34.584 12.228 44.588 1.00 0.00 ATOM 137 NH2 ARG A 17 33.266 10.371 44.790 1.00 0.00 ATOM 138 O ARG A 17 41.211 12.436 41.326 1.00 0.00 ATOM 139 C ARG A 17 41.004 11.290 41.789 1.00 0.00 ATOM 140 N ILE A 18 41.533 10.138 41.317 1.00 0.00 ATOM 141 CA ILE A 18 42.423 10.073 40.138 1.00 0.00 ATOM 142 CB ILE A 18 43.705 9.267 40.422 1.00 0.00 ATOM 143 CG1 ILE A 18 44.494 9.906 41.566 1.00 0.00 ATOM 144 CG2 ILE A 18 44.593 9.228 39.187 1.00 0.00 ATOM 145 CD1 ILE A 18 45.655 9.066 42.052 1.00 0.00 ATOM 146 O ILE A 18 41.093 8.301 39.201 1.00 0.00 ATOM 147 C ILE A 18 41.599 9.410 39.028 1.00 0.00 ATOM 148 N MET A 19 41.398 10.117 37.923 1.00 0.00 ATOM 149 CA MET A 19 40.653 9.560 36.799 1.00 0.00 ATOM 150 CB MET A 19 39.562 10.525 36.333 1.00 0.00 ATOM 151 CG MET A 19 38.493 10.805 37.379 1.00 0.00 ATOM 152 SD MET A 19 37.208 11.916 36.779 1.00 0.00 ATOM 153 CE MET A 19 36.201 12.095 38.250 1.00 0.00 ATOM 154 O MET A 19 42.397 10.225 35.274 1.00 0.00 ATOM 155 C MET A 19 41.632 9.323 35.651 1.00 0.00 ATOM 156 N PHE A 20 41.610 8.107 35.113 1.00 0.00 ATOM 157 CA PHE A 20 42.487 7.724 34.014 1.00 0.00 ATOM 158 CB PHE A 20 43.191 6.424 34.371 1.00 0.00 ATOM 159 CG PHE A 20 44.100 6.547 35.564 1.00 0.00 ATOM 160 CD1 PHE A 20 45.474 6.707 35.396 1.00 0.00 ATOM 161 CD2 PHE A 20 43.584 6.505 36.857 1.00 0.00 ATOM 162 CE1 PHE A 20 46.324 6.823 36.494 1.00 0.00 ATOM 163 CE2 PHE A 20 44.425 6.620 37.965 1.00 0.00 ATOM 164 CZ PHE A 20 45.797 6.778 37.784 1.00 0.00 ATOM 165 O PHE A 20 40.677 6.599 32.914 1.00 0.00 ATOM 166 C PHE A 20 41.710 7.255 32.793 1.00 0.00 ATOM 167 N GLN A 21 42.211 7.615 31.616 1.00 0.00 ATOM 168 CA GLN A 21 41.605 7.217 30.353 1.00 0.00 ATOM 169 CB GLN A 21 41.605 8.387 29.367 1.00 0.00 ATOM 170 CG GLN A 21 40.928 8.079 28.041 1.00 0.00 ATOM 171 CD GLN A 21 40.899 9.277 27.111 1.00 0.00 ATOM 172 OE1 GLN A 21 41.287 10.380 27.492 1.00 0.00 ATOM 173 NE2 GLN A 21 40.438 9.059 25.885 1.00 0.00 ATOM 174 O GLN A 21 43.692 6.114 29.944 1.00 0.00 ATOM 175 C GLN A 21 42.463 6.048 29.888 1.00 0.00 ATOM 176 N LEU A 22 41.794 4.918 29.503 1.00 0.00 ATOM 177 CA LEU A 22 42.497 3.716 29.083 1.00 0.00 ATOM 178 CB LEU A 22 41.934 2.493 29.805 1.00 0.00 ATOM 179 CG LEU A 22 41.745 2.481 31.313 1.00 0.00 ATOM 180 CD1 LEU A 22 41.051 1.230 31.753 1.00 0.00 ATOM 181 CD2 LEU A 22 43.052 2.655 32.020 1.00 0.00 ATOM 182 O LEU A 22 41.391 3.718 26.938 1.00 0.00 ATOM 183 C LEU A 22 42.455 3.619 27.549 1.00 0.00 ATOM 184 N PHE A 23 43.616 3.406 26.936 1.00 0.00 ATOM 185 CA PHE A 23 43.712 3.291 25.479 1.00 0.00 ATOM 186 CB PHE A 23 45.102 3.711 24.999 1.00 0.00 ATOM 187 CG PHE A 23 45.412 5.161 25.232 1.00 0.00 ATOM 188 CD1 PHE A 23 46.236 5.550 26.275 1.00 0.00 ATOM 189 CD2 PHE A 23 44.880 6.139 24.409 1.00 0.00 ATOM 190 CE1 PHE A 23 46.521 6.885 26.489 1.00 0.00 ATOM 191 CE2 PHE A 23 45.164 7.474 24.623 1.00 0.00 ATOM 192 CZ PHE A 23 45.982 7.848 25.658 1.00 0.00 ATOM 193 O PHE A 23 44.448 1.179 24.606 1.00 0.00 ATOM 194 C PHE A 23 43.498 1.879 24.994 1.00 0.00 ATOM 195 N SER A 24 42.165 1.452 25.073 1.00 0.00 ATOM 196 CA SER A 24 41.795 0.097 24.715 1.00 0.00 ATOM 197 CB SER A 24 40.284 0.022 24.939 1.00 0.00 ATOM 198 OG SER A 24 39.599 0.941 24.107 1.00 0.00 ATOM 199 O SER A 24 42.245 -1.357 22.868 1.00 0.00 ATOM 200 C SER A 24 42.085 -0.201 23.254 1.00 0.00 ATOM 201 N ASP A 25 42.093 0.844 22.438 1.00 0.00 ATOM 202 CA ASP A 25 42.344 0.713 21.009 1.00 0.00 ATOM 203 CB ASP A 25 41.953 2.004 20.287 1.00 0.00 ATOM 204 CG ASP A 25 40.454 2.221 20.250 1.00 0.00 ATOM 205 OD1 ASP A 25 39.707 1.264 20.545 1.00 0.00 ATOM 206 OD2 ASP A 25 40.024 3.349 19.927 1.00 0.00 ATOM 207 O ASP A 25 44.080 -0.086 19.556 1.00 0.00 ATOM 208 C ASP A 25 43.800 0.403 20.648 1.00 0.00 ATOM 209 N ILE A 26 44.717 0.673 21.571 1.00 0.00 ATOM 210 CA ILE A 26 46.135 0.445 21.341 1.00 0.00 ATOM 211 CB ILE A 26 46.971 1.663 21.775 1.00 0.00 ATOM 212 CG1 ILE A 26 46.591 2.893 20.947 1.00 0.00 ATOM 213 CG2 ILE A 26 48.454 1.388 21.578 1.00 0.00 ATOM 214 CD1 ILE A 26 47.255 4.171 21.413 1.00 0.00 ATOM 215 O ILE A 26 47.354 -1.625 21.512 1.00 0.00 ATOM 216 C ILE A 26 46.633 -0.801 22.078 1.00 0.00 ATOM 217 N CYS A 27 46.237 -0.942 23.337 1.00 0.00 ATOM 218 CA CYS A 27 46.630 -2.087 24.147 1.00 0.00 ATOM 219 CB CYS A 27 47.569 -1.602 25.253 1.00 0.00 ATOM 220 SG CYS A 27 49.098 -0.844 24.657 1.00 0.00 ATOM 221 O CYS A 27 45.181 -2.676 25.953 1.00 0.00 ATOM 222 C CYS A 27 45.437 -2.796 24.750 1.00 0.00 ATOM 223 N PRO A 28 44.625 -3.548 23.959 1.00 0.00 ATOM 224 CA PRO A 28 43.353 -4.099 24.419 1.00 0.00 ATOM 225 CB PRO A 28 42.731 -4.706 23.171 1.00 0.00 ATOM 226 CG PRO A 28 43.863 -4.924 22.258 1.00 0.00 ATOM 227 CD PRO A 28 44.846 -3.818 22.519 1.00 0.00 ATOM 228 O PRO A 28 42.718 -5.010 26.528 1.00 0.00 ATOM 229 C PRO A 28 43.495 -5.076 25.584 1.00 0.00 ATOM 230 N LYS A 29 44.497 -6.076 25.634 1.00 0.00 ATOM 231 CA LYS A 29 44.660 -7.022 26.741 1.00 0.00 ATOM 232 CB LYS A 29 45.737 -8.050 26.387 1.00 0.00 ATOM 233 CG LYS A 29 45.319 -9.045 25.318 1.00 0.00 ATOM 234 CD LYS A 29 46.432 -10.037 25.020 1.00 0.00 ATOM 235 CE LYS A 29 46.025 -11.011 23.925 1.00 0.00 ATOM 236 NZ LYS A 29 47.116 -11.974 23.607 1.00 0.00 ATOM 237 O LYS A 29 44.585 -6.654 29.113 1.00 0.00 ATOM 238 C LYS A 29 45.096 -6.341 28.036 1.00 0.00 ATOM 239 N THR A 30 46.053 -5.422 27.929 1.00 0.00 ATOM 240 CA THR A 30 46.564 -4.706 29.090 1.00 0.00 ATOM 241 CB THR A 30 47.759 -3.808 28.718 1.00 0.00 ATOM 242 CG2 THR A 30 48.250 -3.041 29.937 1.00 0.00 ATOM 243 OG1 THR A 30 48.830 -4.617 28.217 1.00 0.00 ATOM 244 O THR A 30 45.298 -3.779 30.905 1.00 0.00 ATOM 245 C THR A 30 45.453 -3.849 29.687 1.00 0.00 ATOM 246 N CYS A 31 44.658 -3.169 28.824 1.00 0.00 ATOM 247 CA CYS A 31 43.557 -2.328 29.279 1.00 0.00 ATOM 248 CB CYS A 31 42.958 -1.563 28.097 1.00 0.00 ATOM 249 SG CYS A 31 44.024 -0.264 27.432 1.00 0.00 ATOM 250 O CYS A 31 41.842 -2.773 30.909 1.00 0.00 ATOM 251 C CYS A 31 42.455 -3.176 29.917 1.00 0.00 ATOM 252 N LYS A 32 42.194 -4.340 29.330 1.00 0.00 ATOM 253 CA LYS A 32 41.176 -5.237 29.850 1.00 0.00 ATOM 254 CB LYS A 32 40.997 -6.438 28.919 1.00 0.00 ATOM 255 CG LYS A 32 39.896 -7.395 29.347 1.00 0.00 ATOM 256 CD LYS A 32 39.711 -8.511 28.330 1.00 0.00 ATOM 257 CE LYS A 32 38.626 -9.483 28.769 1.00 0.00 ATOM 258 NZ LYS A 32 38.449 -10.593 27.795 1.00 0.00 ATOM 259 O LYS A 32 40.761 -5.801 32.147 1.00 0.00 ATOM 260 C LYS A 32 41.585 -5.744 31.228 1.00 0.00 ATOM 261 N ASN A 33 42.862 -6.095 31.372 1.00 0.00 ATOM 262 CA ASN A 33 43.375 -6.579 32.644 1.00 0.00 ATOM 263 CB ASN A 33 44.867 -6.902 32.532 1.00 0.00 ATOM 264 CG ASN A 33 45.433 -7.488 33.809 1.00 0.00 ATOM 265 ND2 ASN A 33 46.368 -6.774 34.425 1.00 0.00 ATOM 266 OD1 ASN A 33 45.034 -8.573 34.237 1.00 0.00 ATOM 267 O ASN A 33 42.609 -5.757 34.760 1.00 0.00 ATOM 268 C ASN A 33 43.177 -5.496 33.698 1.00 0.00 ATOM 269 N PHE A 34 43.589 -4.271 33.369 1.00 0.00 ATOM 270 CA PHE A 34 43.475 -3.147 34.292 1.00 0.00 ATOM 271 CB PHE A 34 44.097 -1.901 33.648 1.00 0.00 ATOM 272 CG PHE A 34 44.007 -0.654 34.495 1.00 0.00 ATOM 273 CD1 PHE A 34 44.948 -0.396 35.485 1.00 0.00 ATOM 274 CD2 PHE A 34 42.964 0.250 34.319 1.00 0.00 ATOM 275 CE1 PHE A 34 44.838 0.751 36.288 1.00 0.00 ATOM 276 CE2 PHE A 34 42.845 1.395 35.123 1.00 0.00 ATOM 277 CZ PHE A 34 43.781 1.640 36.104 1.00 0.00 ATOM 278 O PHE A 34 41.717 -2.687 35.856 1.00 0.00 ATOM 279 C PHE A 34 42.028 -2.836 34.673 1.00 0.00 ATOM 280 N LEU A 35 41.154 -2.758 33.672 1.00 0.00 ATOM 281 CA LEU A 35 39.732 -2.468 33.879 1.00 0.00 ATOM 282 CB LEU A 35 38.986 -2.462 32.543 1.00 0.00 ATOM 283 CG LEU A 35 37.488 -2.155 32.604 1.00 0.00 ATOM 284 CD1 LEU A 35 37.248 -0.764 33.173 1.00 0.00 ATOM 285 CD2 LEU A 35 36.869 -2.214 31.216 1.00 0.00 ATOM 286 O LEU A 35 38.338 -3.183 35.699 1.00 0.00 ATOM 287 C LEU A 35 39.089 -3.522 34.785 1.00 0.00 ATOM 288 N CYS A 36 39.401 -4.796 34.539 1.00 0.00 ATOM 289 CA CYS A 36 38.858 -5.886 35.349 1.00 0.00 ATOM 290 CB CYS A 36 39.263 -7.241 34.764 1.00 0.00 ATOM 291 SG CYS A 36 38.485 -7.634 33.180 1.00 0.00 ATOM 292 O CYS A 36 38.652 -6.156 37.732 1.00 0.00 ATOM 293 C CYS A 36 39.373 -5.814 36.793 1.00 0.00 ATOM 294 N LEU A 37 40.613 -5.362 36.972 1.00 0.00 ATOM 295 CA LEU A 37 41.184 -5.238 38.313 1.00 0.00 ATOM 296 CB LEU A 37 42.682 -4.941 38.233 1.00 0.00 ATOM 297 CG LEU A 37 43.566 -6.065 37.687 1.00 0.00 ATOM 298 CD1 LEU A 37 44.999 -5.586 37.516 1.00 0.00 ATOM 299 CD2 LEU A 37 43.572 -7.253 38.638 1.00 0.00 ATOM 300 O LEU A 37 40.259 -4.272 40.318 1.00 0.00 ATOM 301 C LEU A 37 40.463 -4.150 39.106 1.00 0.00 ATOM 302 N CYS A 38 40.055 -3.057 38.436 1.00 0.00 ATOM 303 CA CYS A 38 39.342 -1.972 39.083 1.00 0.00 ATOM 304 CB CYS A 38 39.237 -0.771 38.141 1.00 0.00 ATOM 305 SG CYS A 38 40.821 0.001 37.736 1.00 0.00 ATOM 306 O CYS A 38 37.469 -2.017 40.601 1.00 0.00 ATOM 307 C CYS A 38 37.926 -2.384 39.518 1.00 0.00 ATOM 308 N SER A 39 37.240 -3.153 38.673 1.00 0.00 ATOM 309 CA SER A 39 35.876 -3.579 38.971 1.00 0.00 ATOM 310 CB SER A 39 35.098 -3.813 37.675 1.00 0.00 ATOM 311 OG SER A 39 35.633 -4.906 36.949 1.00 0.00 ATOM 312 O SER A 39 34.781 -5.012 40.453 1.00 0.00 ATOM 313 C SER A 39 35.824 -4.870 39.783 1.00 0.00 ATOM 314 N GLY A 40 36.770 -5.731 39.690 1.00 0.00 ATOM 315 CA GLY A 40 36.727 -6.995 40.422 1.00 0.00 ATOM 316 O GLY A 40 35.554 -9.074 40.354 1.00 0.00 ATOM 317 C GLY A 40 35.847 -8.034 39.759 1.00 0.00 ATOM 318 N GLU A 41 35.418 -7.689 38.470 1.00 0.00 ATOM 319 CA GLU A 41 34.527 -8.578 37.737 1.00 0.00 ATOM 320 CB GLU A 41 33.248 -7.752 37.284 1.00 0.00 ATOM 321 CG GLU A 41 32.246 -7.327 38.316 1.00 0.00 ATOM 322 CD GLU A 41 31.222 -6.298 37.761 1.00 0.00 ATOM 323 OE1 GLU A 41 30.958 -6.252 36.513 1.00 0.00 ATOM 324 OE2 GLU A 41 30.688 -5.534 38.608 1.00 0.00 ATOM 325 O GLU A 41 34.636 -10.265 36.023 1.00 0.00 ATOM 326 C GLU A 41 35.185 -9.753 37.007 1.00 0.00 ATOM 327 N LYS A 42 36.351 -10.187 37.489 1.00 0.00 ATOM 328 CA LYS A 42 37.049 -11.321 36.881 1.00 0.00 ATOM 329 CB LYS A 42 38.040 -10.770 35.794 1.00 0.00 ATOM 330 CG LYS A 42 37.384 -10.301 34.520 1.00 0.00 ATOM 331 CD LYS A 42 36.795 -11.472 33.765 1.00 0.00 ATOM 332 CE LYS A 42 36.017 -11.015 32.554 1.00 0.00 ATOM 333 NZ LYS A 42 34.852 -10.188 32.957 1.00 0.00 ATOM 334 O LYS A 42 37.554 -13.576 37.417 1.00 0.00 ATOM 335 C LYS A 42 37.197 -12.477 37.841 1.00 0.00 ATOM 336 N GLY A 43 36.990 -12.261 39.159 1.00 0.00 ATOM 337 CA GLY A 43 37.091 -13.317 40.131 1.00 0.00 ATOM 338 O GLY A 43 38.902 -12.270 41.307 1.00 0.00 ATOM 339 C GLY A 43 38.371 -13.324 40.949 1.00 0.00 ATOM 340 N LEU A 44 38.859 -14.527 41.257 1.00 0.00 ATOM 341 CA LEU A 44 40.079 -14.707 42.050 1.00 0.00 ATOM 342 CB LEU A 44 39.890 -15.812 43.092 1.00 0.00 ATOM 343 CG LEU A 44 38.733 -15.625 44.077 1.00 0.00 ATOM 344 CD1 LEU A 44 38.619 -16.827 45.003 1.00 0.00 ATOM 345 CD2 LEU A 44 38.948 -14.385 44.930 1.00 0.00 ATOM 346 O LEU A 44 41.156 -15.690 40.141 1.00 0.00 ATOM 347 C LEU A 44 41.295 -15.095 41.214 1.00 0.00 ATOM 348 N GLY A 45 42.482 -14.784 41.732 1.00 0.00 ATOM 349 CA GLY A 45 43.717 -15.099 41.033 1.00 0.00 ATOM 350 O GLY A 45 43.778 -17.381 41.760 1.00 0.00 ATOM 351 C GLY A 45 43.973 -16.585 40.847 1.00 0.00 ATOM 352 N LYS A 46 44.370 -16.952 39.636 1.00 0.00 ATOM 353 CA LYS A 46 44.668 -18.331 39.258 1.00 0.00 ATOM 354 CB LYS A 46 45.189 -18.393 37.821 1.00 0.00 ATOM 355 CG LYS A 46 45.491 -19.800 37.331 1.00 0.00 ATOM 356 CD LYS A 46 45.935 -19.794 35.876 1.00 0.00 ATOM 357 CE LYS A 46 46.285 -21.194 35.401 1.00 0.00 ATOM 358 NZ LYS A 46 46.744 -21.202 33.985 1.00 0.00 ATOM 359 O LYS A 46 45.552 -20.004 40.745 1.00 0.00 ATOM 360 C LYS A 46 45.742 -18.943 40.162 1.00 0.00 ATOM 361 N THR A 47 46.864 -18.245 40.287 1.00 0.00 ATOM 362 CA THR A 47 47.985 -18.704 41.095 1.00 0.00 ATOM 363 CB THR A 47 49.324 -18.136 40.587 1.00 0.00 ATOM 364 CG2 THR A 47 50.475 -18.636 41.447 1.00 0.00 ATOM 365 OG1 THR A 47 49.541 -18.553 39.234 1.00 0.00 ATOM 366 O THR A 47 48.173 -19.123 43.458 1.00 0.00 ATOM 367 C THR A 47 47.891 -18.306 42.574 1.00 0.00 ATOM 368 N THR A 48 47.462 -17.074 42.843 1.00 0.00 ATOM 369 CA THR A 48 47.342 -16.579 44.215 1.00 0.00 ATOM 370 CB THR A 48 47.427 -15.042 44.267 1.00 0.00 ATOM 371 CG2 THR A 48 48.736 -14.561 43.661 1.00 0.00 ATOM 372 OG1 THR A 48 46.337 -14.476 43.527 1.00 0.00 ATOM 373 O THR A 48 45.987 -16.957 46.170 1.00 0.00 ATOM 374 C THR A 48 46.041 -16.952 44.936 1.00 0.00 ATOM 375 N GLY A 49 44.987 -17.230 44.170 1.00 0.00 ATOM 376 CA GLY A 49 43.708 -17.570 44.767 1.00 0.00 ATOM 377 O GLY A 49 42.100 -16.637 46.282 1.00 0.00 ATOM 378 C GLY A 49 43.052 -16.417 45.536 1.00 0.00 ATOM 379 N LYS A 50 43.481 -15.083 45.385 1.00 0.00 ATOM 380 CA LYS A 50 42.943 -13.902 46.044 1.00 0.00 ATOM 381 CB LYS A 50 44.146 -13.107 46.555 1.00 0.00 ATOM 382 CG LYS A 50 44.959 -13.827 47.619 1.00 0.00 ATOM 383 CD LYS A 50 46.107 -12.963 48.115 1.00 0.00 ATOM 384 CE LYS A 50 46.894 -13.666 49.209 1.00 0.00 ATOM 385 NZ LYS A 50 47.993 -12.812 49.739 1.00 0.00 ATOM 386 O LYS A 50 42.346 -13.106 43.857 1.00 0.00 ATOM 387 C LYS A 50 42.153 -13.018 45.072 1.00 0.00 ATOM 388 N LYS A 51 41.244 -12.163 45.592 1.00 0.00 ATOM 389 CA LYS A 51 40.422 -11.266 44.773 1.00 0.00 ATOM 390 CB LYS A 51 39.624 -10.310 45.662 1.00 0.00 ATOM 391 CG LYS A 51 38.686 -9.390 44.897 1.00 0.00 ATOM 392 CD LYS A 51 37.878 -8.515 45.842 1.00 0.00 ATOM 393 CE LYS A 51 36.973 -7.564 45.077 1.00 0.00 ATOM 394 NZ LYS A 51 36.149 -6.725 45.990 1.00 0.00 ATOM 395 O LYS A 51 42.229 -9.804 44.208 1.00 0.00 ATOM 396 C LYS A 51 41.241 -10.425 43.812 1.00 0.00 ATOM 397 N LEU A 52 40.841 -10.440 42.544 1.00 0.00 ATOM 398 CA LEU A 52 41.513 -9.663 41.511 1.00 0.00 ATOM 399 CB LEU A 52 41.300 -10.298 40.135 1.00 0.00 ATOM 400 CG LEU A 52 41.884 -11.697 39.936 1.00 0.00 ATOM 401 CD1 LEU A 52 41.565 -12.220 38.543 1.00 0.00 ATOM 402 CD2 LEU A 52 43.396 -11.677 40.101 1.00 0.00 ATOM 403 O LEU A 52 40.135 -7.913 40.622 1.00 0.00 ATOM 404 C LEU A 52 40.954 -8.244 41.486 1.00 0.00 ATOM 405 N CYS A 53 41.358 -7.421 42.452 1.00 0.00 ATOM 406 CA CYS A 53 40.882 -6.051 42.487 1.00 0.00 ATOM 407 CB CYS A 53 39.401 -6.021 42.872 1.00 0.00 ATOM 408 SG CYS A 53 38.653 -4.375 42.834 1.00 0.00 ATOM 409 O CYS A 53 42.152 -5.506 44.457 1.00 0.00 ATOM 410 C CYS A 53 41.680 -5.116 43.386 1.00 0.00 ATOM 411 N TYR A 54 41.785 -3.819 42.889 1.00 0.00 ATOM 412 CA TYR A 54 42.551 -2.838 43.632 1.00 0.00 ATOM 413 CB TYR A 54 42.680 -1.610 42.728 1.00 0.00 ATOM 414 CG TYR A 54 43.666 -1.784 41.595 1.00 0.00 ATOM 415 CD1 TYR A 54 43.226 -2.010 40.297 1.00 0.00 ATOM 416 CD2 TYR A 54 45.034 -1.724 41.828 1.00 0.00 ATOM 417 CE1 TYR A 54 44.121 -2.170 39.255 1.00 0.00 ATOM 418 CE2 TYR A 54 45.944 -1.882 40.798 1.00 0.00 ATOM 419 CZ TYR A 54 45.475 -2.107 39.505 1.00 0.00 ATOM 420 OH TYR A 54 46.369 -2.267 38.471 1.00 0.00 ATOM 421 O TYR A 54 42.605 -1.420 45.554 1.00 0.00 ATOM 422 C TYR A 54 41.950 -2.206 44.877 1.00 0.00 ATOM 423 N LYS A 55 40.698 -2.542 45.220 1.00 0.00 ATOM 424 CA LYS A 55 40.067 -1.978 46.392 1.00 0.00 ATOM 425 CB LYS A 55 38.633 -2.495 46.520 1.00 0.00 ATOM 426 CG LYS A 55 37.872 -1.928 47.707 1.00 0.00 ATOM 427 CD LYS A 55 36.428 -2.404 47.716 1.00 0.00 ATOM 428 CE LYS A 55 35.675 -1.865 48.922 1.00 0.00 ATOM 429 NZ LYS A 55 34.226 -2.199 48.866 1.00 0.00 ATOM 430 O LYS A 55 40.989 -3.574 47.917 1.00 0.00 ATOM 431 C LYS A 55 40.819 -2.385 47.648 1.00 0.00 ATOM 432 N GLY A 56 41.282 -1.393 48.400 1.00 0.00 ATOM 433 CA GLY A 56 42.005 -1.679 49.626 1.00 0.00 ATOM 434 O GLY A 56 44.226 -1.802 50.492 1.00 0.00 ATOM 435 C GLY A 56 43.512 -1.800 49.491 1.00 0.00 ATOM 436 N SER A 57 44.017 -1.905 48.272 1.00 0.00 ATOM 437 CA SER A 57 45.457 -2.010 48.061 1.00 0.00 ATOM 438 CB SER A 57 45.776 -2.512 46.651 1.00 0.00 ATOM 439 OG SER A 57 45.402 -1.557 45.673 1.00 0.00 ATOM 440 O SER A 57 45.357 0.371 48.421 1.00 0.00 ATOM 441 C SER A 57 46.073 -0.622 48.257 1.00 0.00 ATOM 442 N THR A 58 47.397 -0.548 48.208 1.00 0.00 ATOM 443 CA THR A 58 48.097 0.705 48.458 1.00 0.00 ATOM 444 CB THR A 58 48.909 0.655 49.766 1.00 0.00 ATOM 445 CG2 THR A 58 48.017 0.250 50.930 1.00 0.00 ATOM 446 OG1 THR A 58 49.968 -0.301 49.638 1.00 0.00 ATOM 447 O THR A 58 49.344 0.432 46.398 1.00 0.00 ATOM 448 C THR A 58 49.104 1.132 47.386 1.00 0.00 ATOM 449 N PHE A 59 49.652 2.328 47.583 1.00 0.00 ATOM 450 CA PHE A 59 50.721 2.843 46.736 1.00 0.00 ATOM 451 CB PHE A 59 50.447 4.298 46.354 1.00 0.00 ATOM 452 CG PHE A 59 49.225 4.482 45.500 1.00 0.00 ATOM 453 CD1 PHE A 59 47.985 4.687 46.076 1.00 0.00 ATOM 454 CD2 PHE A 59 49.318 4.448 44.119 1.00 0.00 ATOM 455 CE1 PHE A 59 46.860 4.856 45.290 1.00 0.00 ATOM 456 CE2 PHE A 59 48.193 4.617 43.332 1.00 0.00 ATOM 457 CZ PHE A 59 46.969 4.820 43.912 1.00 0.00 ATOM 458 O PHE A 59 52.473 3.662 48.114 1.00 0.00 ATOM 459 C PHE A 59 51.990 2.713 47.548 1.00 0.00 ATOM 460 N HIS A 60 52.491 1.461 47.622 1.00 0.00 ATOM 461 CA HIS A 60 53.705 1.160 48.385 1.00 0.00 ATOM 462 CB HIS A 60 53.914 -0.355 48.335 1.00 0.00 ATOM 463 CG HIS A 60 54.301 -0.868 46.983 1.00 0.00 ATOM 464 CD2 HIS A 60 55.508 -1.429 46.394 1.00 0.00 ATOM 465 ND1 HIS A 60 53.430 -0.887 45.916 1.00 0.00 ATOM 466 CE1 HIS A 60 54.061 -1.400 44.844 1.00 0.00 ATOM 467 NE2 HIS A 60 55.308 -1.727 45.123 1.00 0.00 ATOM 468 O HIS A 60 55.980 1.730 48.874 1.00 0.00 ATOM 469 C HIS A 60 55.053 1.813 48.071 1.00 0.00 ATOM 470 N ARG A 61 55.166 2.437 46.902 1.00 0.00 ATOM 471 CA ARG A 61 56.412 3.075 46.494 1.00 0.00 ATOM 472 CB ARG A 61 57.148 2.157 45.515 1.00 0.00 ATOM 473 CG ARG A 61 58.495 2.691 45.058 1.00 0.00 ATOM 474 CD ARG A 61 59.193 1.706 44.133 1.00 0.00 ATOM 475 NE ARG A 61 60.478 2.217 43.660 1.00 0.00 ATOM 476 CZ ARG A 61 61.328 1.522 42.913 1.00 0.00 ATOM 477 NH1 ARG A 61 62.475 2.069 42.530 1.00 0.00 ATOM 478 NH2 ARG A 61 61.032 0.283 42.548 1.00 0.00 ATOM 479 O ARG A 61 55.227 4.537 45.015 1.00 0.00 ATOM 480 C ARG A 61 56.140 4.423 45.830 1.00 0.00 ATOM 481 N VAL A 62 56.888 5.451 46.228 1.00 0.00 ATOM 482 CA VAL A 62 56.751 6.779 45.628 1.00 0.00 ATOM 483 CB VAL A 62 55.946 7.722 46.548 1.00 0.00 ATOM 484 CG1 VAL A 62 55.811 9.100 45.898 1.00 0.00 ATOM 485 CG2 VAL A 62 54.573 7.117 46.841 1.00 0.00 ATOM 486 O VAL A 62 58.914 7.410 46.437 1.00 0.00 ATOM 487 C VAL A 62 58.145 7.365 45.479 1.00 0.00 ATOM 488 N VAL A 63 58.445 7.811 44.266 1.00 0.00 ATOM 489 CA VAL A 63 59.721 8.436 43.960 1.00 0.00 ATOM 490 CB VAL A 63 60.403 7.750 42.762 1.00 0.00 ATOM 491 CG1 VAL A 63 61.739 8.409 42.459 1.00 0.00 ATOM 492 CG2 VAL A 63 60.651 6.278 43.061 1.00 0.00 ATOM 493 O VAL A 63 58.905 10.262 42.611 1.00 0.00 ATOM 494 C VAL A 63 59.518 9.911 43.629 1.00 0.00 ATOM 495 N LYS A 64 60.018 10.763 44.517 1.00 0.00 ATOM 496 CA LYS A 64 59.930 12.210 44.359 1.00 0.00 ATOM 497 CB LYS A 64 60.720 12.918 45.461 1.00 0.00 ATOM 498 CG LYS A 64 60.629 14.434 45.414 1.00 0.00 ATOM 499 CD LYS A 64 61.381 15.069 46.573 1.00 0.00 ATOM 500 CE LYS A 64 61.327 16.586 46.501 1.00 0.00 ATOM 501 NZ LYS A 64 62.029 17.222 47.650 1.00 0.00 ATOM 502 O LYS A 64 61.598 12.198 42.617 1.00 0.00 ATOM 503 C LYS A 64 60.511 12.631 43.000 1.00 0.00 ATOM 504 N ASN A 65 59.741 13.427 42.260 1.00 0.00 ATOM 505 CA ASN A 65 60.116 13.930 40.930 1.00 0.00 ATOM 506 CB ASN A 65 61.447 14.685 41.053 1.00 0.00 ATOM 507 CG ASN A 65 61.276 15.911 41.938 1.00 0.00 ATOM 508 ND2 ASN A 65 62.243 16.072 42.848 1.00 0.00 ATOM 509 OD1 ASN A 65 60.279 16.637 41.803 1.00 0.00 ATOM 510 O ASN A 65 60.900 13.165 38.904 1.00 0.00 ATOM 511 C ASN A 65 60.209 12.923 39.858 1.00 0.00 ATOM 512 N PHE A 66 59.386 11.695 39.956 1.00 0.00 ATOM 513 CA PHE A 66 59.386 10.683 38.959 1.00 0.00 ATOM 514 CB PHE A 66 60.463 9.601 39.058 1.00 0.00 ATOM 515 CG PHE A 66 61.855 10.109 38.815 1.00 0.00 ATOM 516 CD1 PHE A 66 62.648 10.535 39.866 1.00 0.00 ATOM 517 CD2 PHE A 66 62.374 10.159 37.531 1.00 0.00 ATOM 518 CE1 PHE A 66 63.929 11.001 39.641 1.00 0.00 ATOM 519 CE2 PHE A 66 63.655 10.626 37.307 1.00 0.00 ATOM 520 CZ PHE A 66 64.432 11.046 38.355 1.00 0.00 ATOM 521 O PHE A 66 57.402 9.924 37.844 1.00 0.00 ATOM 522 C PHE A 66 58.074 9.885 38.874 1.00 0.00 ATOM 523 N MET A 67 57.709 9.152 39.925 1.00 0.00 ATOM 524 CA MET A 67 56.491 8.346 39.851 1.00 0.00 ATOM 525 CB MET A 67 56.727 7.097 39.001 1.00 0.00 ATOM 526 CG MET A 67 57.841 6.199 39.515 1.00 0.00 ATOM 527 SD MET A 67 58.342 4.952 38.312 1.00 0.00 ATOM 528 CE MET A 67 59.381 5.928 37.227 1.00 0.00 ATOM 529 O MET A 67 56.632 7.896 42.209 1.00 0.00 ATOM 530 C MET A 67 55.960 7.814 41.186 1.00 0.00 ATOM 531 N ILE A 68 54.732 7.268 41.108 1.00 0.00 ATOM 532 CA ILE A 68 54.159 6.558 42.245 1.00 0.00 ATOM 533 CB ILE A 68 52.780 7.162 42.602 1.00 0.00 ATOM 534 CG1 ILE A 68 53.038 8.542 43.253 1.00 0.00 ATOM 535 CG2 ILE A 68 52.024 6.276 43.580 1.00 0.00 ATOM 536 CD1 ILE A 68 51.814 9.326 43.439 1.00 0.00 ATOM 537 O ILE A 68 53.304 5.025 40.597 1.00 0.00 ATOM 538 C ILE A 68 53.742 5.172 41.738 1.00 0.00 ATOM 539 N GLN A 69 53.932 4.153 42.571 1.00 0.00 ATOM 540 CA GLN A 69 53.622 2.778 42.186 1.00 0.00 ATOM 541 CB GLN A 69 54.893 1.929 42.131 1.00 0.00 ATOM 542 CG GLN A 69 55.881 2.359 41.058 1.00 0.00 ATOM 543 CD GLN A 69 57.140 1.513 41.054 1.00 0.00 ATOM 544 OE1 GLN A 69 57.272 0.575 41.841 1.00 0.00 ATOM 545 NE2 GLN A 69 58.070 1.844 40.166 1.00 0.00 ATOM 546 O GLN A 69 52.798 2.185 44.354 1.00 0.00 ATOM 547 C GLN A 69 52.668 2.070 43.140 1.00 0.00 ATOM 548 N GLY A 70 51.730 1.315 42.569 1.00 0.00 ATOM 549 CA GLY A 70 50.768 0.568 43.364 1.00 0.00 ATOM 550 O GLY A 70 50.952 -1.056 41.623 1.00 0.00 ATOM 551 C GLY A 70 50.317 -0.666 42.602 1.00 0.00 ATOM 552 N GLY A 71 49.241 -1.299 43.060 1.00 0.00 ATOM 553 CA GLY A 71 48.724 -2.472 42.372 1.00 0.00 ATOM 554 O GLY A 71 48.511 -4.846 42.534 1.00 0.00 ATOM 555 C GLY A 71 49.025 -3.825 42.995 1.00 0.00 ATOM 556 N ASP A 72 49.868 -3.851 44.020 1.00 0.00 ATOM 557 CA ASP A 72 50.205 -5.110 44.676 1.00 0.00 ATOM 558 CB ASP A 72 51.567 -5.008 45.364 1.00 0.00 ATOM 559 CG ASP A 72 52.018 -6.325 45.962 1.00 0.00 ATOM 560 OD1 ASP A 72 51.250 -7.307 45.887 1.00 0.00 ATOM 561 OD2 ASP A 72 53.142 -6.377 46.507 1.00 0.00 ATOM 562 O ASP A 72 49.265 -5.068 46.896 1.00 0.00 ATOM 563 C ASP A 72 49.135 -5.433 45.727 1.00 0.00 ATOM 564 N PHE A 73 48.098 -6.152 45.310 1.00 0.00 ATOM 565 CA PHE A 73 47.010 -6.494 46.214 1.00 0.00 ATOM 566 CB PHE A 73 45.703 -6.668 45.437 1.00 0.00 ATOM 567 CG PHE A 73 45.792 -7.661 44.314 1.00 0.00 ATOM 568 CD1 PHE A 73 45.719 -9.019 44.565 1.00 0.00 ATOM 569 CD2 PHE A 73 45.948 -7.236 43.006 1.00 0.00 ATOM 570 CE1 PHE A 73 45.799 -9.934 43.532 1.00 0.00 ATOM 571 CE2 PHE A 73 46.030 -8.150 41.973 1.00 0.00 ATOM 572 CZ PHE A 73 45.957 -9.494 42.231 1.00 0.00 ATOM 573 O PHE A 73 46.319 -8.132 47.824 1.00 0.00 ATOM 574 C PHE A 73 47.177 -7.796 47.005 1.00 0.00 ATOM 575 N SER A 74 48.263 -8.526 46.778 1.00 0.00 ATOM 576 CA SER A 74 48.463 -9.777 47.507 1.00 0.00 ATOM 577 CB SER A 74 48.940 -10.885 46.565 1.00 0.00 ATOM 578 OG SER A 74 48.000 -11.113 45.529 1.00 0.00 ATOM 579 O SER A 74 49.335 -10.163 49.701 1.00 0.00 ATOM 580 C SER A 74 49.506 -9.622 48.610 1.00 0.00 ATOM 581 N GLU A 75 50.603 -8.941 48.355 1.00 0.00 ATOM 582 CA GLU A 75 51.664 -8.784 49.346 1.00 0.00 ATOM 583 CB GLU A 75 53.040 -9.282 48.798 1.00 0.00 ATOM 584 CG GLU A 75 53.200 -10.790 48.657 1.00 0.00 ATOM 585 CD GLU A 75 52.974 -11.492 49.967 1.00 0.00 ATOM 586 OE1 GLU A 75 53.814 -11.402 50.886 1.00 0.00 ATOM 587 OE2 GLU A 75 51.914 -12.123 50.168 1.00 0.00 ATOM 588 O GLU A 75 52.074 -7.093 50.978 1.00 0.00 ATOM 589 C GLU A 75 51.718 -7.345 49.837 1.00 0.00 ATOM 590 N GLY A 76 51.438 -6.386 48.952 1.00 0.00 ATOM 591 CA GLY A 76 51.477 -4.971 49.300 1.00 0.00 ATOM 592 O GLY A 76 52.898 -3.086 49.665 1.00 0.00 ATOM 593 C GLY A 76 52.826 -4.271 49.342 1.00 0.00 ATOM 594 N ASN A 77 53.900 -5.000 49.002 1.00 0.00 ATOM 595 CA ASN A 77 55.252 -4.444 49.016 1.00 0.00 ATOM 596 CB ASN A 77 55.950 -5.139 50.187 1.00 0.00 ATOM 597 CG ASN A 77 55.292 -4.829 51.487 1.00 0.00 ATOM 598 ND2 ASN A 77 54.960 -5.867 52.228 1.00 0.00 ATOM 599 OD1 ASN A 77 55.019 -3.679 51.805 1.00 0.00 ATOM 600 O ASN A 77 57.282 -4.283 47.736 1.00 0.00 ATOM 601 C ASN A 77 56.072 -4.516 47.726 1.00 0.00 ATOM 602 N GLY A 78 55.423 -4.886 46.627 1.00 0.00 ATOM 603 CA GLY A 78 56.111 -4.958 45.351 1.00 0.00 ATOM 604 O GLY A 78 56.759 -6.538 43.685 1.00 0.00 ATOM 605 C GLY A 78 56.422 -6.353 44.857 1.00 0.00 ATOM 606 N LYS A 79 56.297 -7.343 45.737 1.00 0.00 ATOM 607 CA LYS A 79 56.590 -8.721 45.366 1.00 0.00 ATOM 608 CB LYS A 79 57.231 -9.467 46.539 1.00 0.00 ATOM 609 CG LYS A 79 58.595 -8.930 46.944 1.00 0.00 ATOM 610 CD LYS A 79 59.163 -9.702 48.123 1.00 0.00 ATOM 611 CE LYS A 79 60.530 -9.172 48.524 1.00 0.00 ATOM 612 NZ LYS A 79 61.135 -9.968 49.627 1.00 0.00 ATOM 613 O LYS A 79 55.547 -10.544 44.230 1.00 0.00 ATOM 614 C LYS A 79 55.387 -9.497 44.861 1.00 0.00 ATOM 615 N GLY A 80 54.147 -8.957 45.204 1.00 0.00 ATOM 616 CA GLY A 80 52.966 -9.674 44.777 1.00 0.00 ATOM 617 O GLY A 80 52.750 -8.545 42.676 1.00 0.00 ATOM 618 C GLY A 80 52.188 -9.164 43.581 1.00 0.00 ATOM 619 N GLY A 81 50.880 -9.422 43.605 1.00 0.00 ATOM 620 CA GLY A 81 49.995 -9.017 42.527 1.00 0.00 ATOM 621 O GLY A 81 50.635 -11.043 41.422 1.00 0.00 ATOM 622 C GLY A 81 49.804 -10.136 41.518 1.00 0.00 ATOM 623 N GLU A 82 48.711 -10.077 40.759 1.00 0.00 ATOM 624 CA GLU A 82 48.418 -11.088 39.743 1.00 0.00 ATOM 625 CB GLU A 82 47.730 -12.298 40.376 1.00 0.00 ATOM 626 CG GLU A 82 47.412 -13.416 39.395 1.00 0.00 ATOM 627 CD GLU A 82 46.746 -14.603 40.060 1.00 0.00 ATOM 628 OE1 GLU A 82 46.451 -14.518 41.270 1.00 0.00 ATOM 629 OE2 GLU A 82 46.518 -15.619 39.371 1.00 0.00 ATOM 630 O GLU A 82 46.668 -9.657 38.944 1.00 0.00 ATOM 631 C GLU A 82 47.494 -10.523 38.664 1.00 0.00 ATOM 632 N SER A 83 47.671 -10.975 37.424 1.00 0.00 ATOM 633 CA SER A 83 46.824 -10.520 36.328 1.00 0.00 ATOM 634 CB SER A 83 47.466 -10.748 34.964 1.00 0.00 ATOM 635 OG SER A 83 47.730 -12.114 34.702 1.00 0.00 ATOM 636 O SER A 83 45.492 -12.501 36.754 1.00 0.00 ATOM 637 C SER A 83 45.529 -11.360 36.313 1.00 0.00 ATOM 638 N ILE A 84 44.508 -10.802 35.688 1.00 0.00 ATOM 639 CA ILE A 84 43.244 -11.500 35.472 1.00 0.00 ATOM 640 CB ILE A 84 42.133 -10.521 35.016 1.00 0.00 ATOM 641 CG1 ILE A 84 42.456 -9.874 33.691 1.00 0.00 ATOM 642 CG2 ILE A 84 41.766 -9.576 36.162 1.00 0.00 ATOM 643 CD1 ILE A 84 41.279 -9.164 33.057 1.00 0.00 ATOM 644 O ILE A 84 42.414 -13.521 34.474 1.00 0.00 ATOM 645 C ILE A 84 43.342 -12.717 34.554 1.00 0.00 ATOM 646 N TYR A 85 44.479 -12.854 33.882 1.00 0.00 ATOM 647 CA TYR A 85 44.714 -13.965 32.967 1.00 0.00 ATOM 648 CB TYR A 85 45.658 -13.564 31.849 1.00 0.00 ATOM 649 CG TYR A 85 45.147 -12.438 30.937 1.00 0.00 ATOM 650 CD1 TYR A 85 44.167 -12.658 29.978 1.00 0.00 ATOM 651 CD2 TYR A 85 45.696 -11.166 31.037 1.00 0.00 ATOM 652 CE1 TYR A 85 43.677 -11.576 29.161 1.00 0.00 ATOM 653 CE2 TYR A 85 45.264 -10.101 30.197 1.00 0.00 ATOM 654 CZ TYR A 85 44.280 -10.328 29.250 1.00 0.00 ATOM 655 OH TYR A 85 43.880 -9.249 28.448 1.00 0.00 ATOM 656 O TYR A 85 45.473 -16.234 33.069 1.00 0.00 ATOM 657 C TYR A 85 45.352 -15.168 33.663 1.00 0.00 ATOM 658 N GLY A 86 45.720 -15.000 34.928 1.00 0.00 ATOM 659 CA GLY A 86 46.374 -16.070 35.659 1.00 0.00 ATOM 660 O GLY A 86 48.349 -15.384 34.477 1.00 0.00 ATOM 661 C GLY A 86 47.832 -15.711 35.557 1.00 0.00 ATOM 662 N GLY A 87 48.508 -15.642 36.682 1.00 0.00 ATOM 663 CA GLY A 87 49.917 -15.332 36.764 1.00 0.00 ATOM 664 O GLY A 87 49.544 -13.018 36.324 1.00 0.00 ATOM 665 C GLY A 87 50.237 -14.006 36.097 1.00 0.00 ATOM 666 N TYR A 88 51.320 -13.991 35.271 1.00 0.00 ATOM 667 CA TYR A 88 51.721 -12.783 34.573 1.00 0.00 ATOM 668 CB TYR A 88 53.174 -12.415 34.897 1.00 0.00 ATOM 669 CG TYR A 88 53.425 -12.105 36.350 1.00 0.00 ATOM 670 CD1 TYR A 88 54.046 -13.026 37.182 1.00 0.00 ATOM 671 CD2 TYR A 88 53.041 -10.872 36.895 1.00 0.00 ATOM 672 CE1 TYR A 88 54.294 -12.736 38.527 1.00 0.00 ATOM 673 CE2 TYR A 88 53.279 -10.576 38.238 1.00 0.00 ATOM 674 CZ TYR A 88 53.903 -11.506 39.051 1.00 0.00 ATOM 675 OH TYR A 88 54.153 -11.236 40.374 1.00 0.00 ATOM 676 O TYR A 88 51.571 -14.106 32.569 1.00 0.00 ATOM 677 C TYR A 88 51.549 -12.968 33.081 1.00 0.00 ATOM 678 N PHE A 89 51.391 -11.865 32.389 1.00 0.00 ATOM 679 CA PHE A 89 51.086 -11.847 30.962 1.00 0.00 ATOM 680 CB PHE A 89 49.735 -11.195 30.658 1.00 0.00 ATOM 681 CG PHE A 89 49.689 -9.725 30.960 1.00 0.00 ATOM 682 CD1 PHE A 89 50.020 -8.794 29.991 1.00 0.00 ATOM 683 CD2 PHE A 89 49.314 -9.273 32.213 1.00 0.00 ATOM 684 CE1 PHE A 89 49.978 -7.441 30.269 1.00 0.00 ATOM 685 CE2 PHE A 89 49.272 -7.921 32.491 1.00 0.00 ATOM 686 CZ PHE A 89 49.602 -7.005 31.526 1.00 0.00 ATOM 687 O PHE A 89 53.113 -10.598 30.682 1.00 0.00 ATOM 688 C PHE A 89 52.221 -11.250 30.134 1.00 0.00 ATOM 689 N LYS A 90 52.158 -11.418 28.838 1.00 0.00 ATOM 690 CA LYS A 90 53.192 -10.851 27.975 1.00 0.00 ATOM 691 CB LYS A 90 53.128 -11.524 26.603 1.00 0.00 ATOM 692 CG LYS A 90 53.561 -12.982 26.606 1.00 0.00 ATOM 693 CD LYS A 90 53.454 -13.592 25.217 1.00 0.00 ATOM 694 CE LYS A 90 53.954 -15.027 25.206 1.00 0.00 ATOM 695 NZ LYS A 90 53.847 -15.642 23.855 1.00 0.00 ATOM 696 O LYS A 90 51.958 -8.801 27.861 1.00 0.00 ATOM 697 C LYS A 90 53.038 -9.374 27.713 1.00 0.00 ATOM 698 N ASP A 91 54.137 -8.768 27.286 1.00 0.00 ATOM 699 CA ASP A 91 54.140 -7.360 26.952 1.00 0.00 ATOM 700 CB ASP A 91 55.572 -6.823 26.901 1.00 0.00 ATOM 701 CG ASP A 91 56.250 -6.844 28.257 1.00 0.00 ATOM 702 OD1 ASP A 91 55.621 -6.403 29.242 1.00 0.00 ATOM 703 OD2 ASP A 91 57.410 -7.299 28.333 1.00 0.00 ATOM 704 O ASP A 91 54.012 -7.747 24.596 1.00 0.00 ATOM 705 C ASP A 91 53.536 -7.164 25.570 1.00 0.00 ATOM 706 N GLU A 92 52.457 -6.392 25.495 1.00 0.00 ATOM 707 CA GLU A 92 51.850 -6.081 24.210 1.00 0.00 ATOM 708 CB GLU A 92 51.127 -4.845 24.340 1.00 0.00 ATOM 709 CG GLU A 92 49.703 -5.351 24.382 1.00 0.00 ATOM 710 CD GLU A 92 49.317 -6.001 23.054 1.00 0.00 ATOM 711 OE1 GLU A 92 49.838 -5.551 22.000 1.00 0.00 ATOM 712 OE2 GLU A 92 48.551 -6.984 23.057 1.00 0.00 ATOM 713 O GLU A 92 53.804 -4.718 24.045 1.00 0.00 ATOM 714 C GLU A 92 52.818 -5.170 23.467 1.00 0.00 ATOM 715 N ASN A 93 52.547 -4.905 22.195 1.00 0.00 ATOM 716 CA ASN A 93 53.419 -4.040 21.404 1.00 0.00 ATOM 717 CB ASN A 93 52.846 -3.755 20.007 1.00 0.00 ATOM 718 CG ASN A 93 53.770 -2.870 19.204 1.00 0.00 ATOM 719 ND2 ASN A 93 53.207 -1.898 18.514 1.00 0.00 ATOM 720 OD1 ASN A 93 54.982 -3.013 19.271 1.00 0.00 ATOM 721 O ASN A 93 52.606 -2.203 22.720 1.00 0.00 ATOM 722 C ASN A 93 53.570 -2.707 22.145 1.00 0.00 ATOM 723 N PHE A 94 54.795 -2.184 22.186 1.00 0.00 ATOM 724 CA PHE A 94 55.096 -0.931 22.877 1.00 0.00 ATOM 725 CB PHE A 94 56.592 -0.826 23.186 1.00 0.00 ATOM 726 CG PHE A 94 57.086 -1.872 24.145 1.00 0.00 ATOM 727 CD1 PHE A 94 57.766 -2.987 23.686 1.00 0.00 ATOM 728 CD2 PHE A 94 56.872 -1.740 25.506 1.00 0.00 ATOM 729 CE1 PHE A 94 58.221 -3.949 24.567 1.00 0.00 ATOM 730 CE2 PHE A 94 57.328 -2.702 26.387 1.00 0.00 ATOM 731 CZ PHE A 94 58.000 -3.802 25.924 1.00 0.00 ATOM 732 O PHE A 94 55.588 1.161 21.769 1.00 0.00 ATOM 733 C PHE A 94 54.735 0.309 22.048 1.00 0.00 ATOM 734 N ILE A 95 53.458 0.420 21.695 1.00 0.00 ATOM 735 CA ILE A 95 52.972 1.536 20.893 1.00 0.00 ATOM 736 CB ILE A 95 51.490 1.356 20.513 1.00 0.00 ATOM 737 CG1 ILE A 95 51.325 0.176 19.553 1.00 0.00 ATOM 738 CG2 ILE A 95 50.959 2.608 19.832 1.00 0.00 ATOM 739 CD1 ILE A 95 49.889 -0.256 19.357 1.00 0.00 ATOM 740 O ILE A 95 53.805 3.765 21.203 1.00 0.00 ATOM 741 C ILE A 95 53.083 2.862 21.642 1.00 0.00 ATOM 742 N LEU A 96 52.402 2.966 22.781 1.00 0.00 ATOM 743 CA LEU A 96 52.433 4.187 23.587 1.00 0.00 ATOM 744 CB LEU A 96 51.361 4.137 24.678 1.00 0.00 ATOM 745 CG LEU A 96 49.909 4.103 24.200 1.00 0.00 ATOM 746 CD1 LEU A 96 48.960 3.933 25.377 1.00 0.00 ATOM 747 CD2 LEU A 96 49.549 5.395 23.483 1.00 0.00 ATOM 748 O LEU A 96 54.485 3.424 24.574 1.00 0.00 ATOM 749 C LEU A 96 53.780 4.393 24.276 1.00 0.00 ATOM 750 N LYS A 97 54.177 5.658 24.420 1.00 0.00 ATOM 751 CA LYS A 97 55.458 6.021 25.036 1.00 0.00 ATOM 752 CB LYS A 97 56.345 6.760 24.032 1.00 0.00 ATOM 753 CG LYS A 97 56.792 5.908 22.854 1.00 0.00 ATOM 754 CD LYS A 97 57.681 6.697 21.908 1.00 0.00 ATOM 755 CE LYS A 97 58.149 5.837 20.744 1.00 0.00 ATOM 756 NZ LYS A 97 59.037 6.593 19.818 1.00 0.00 ATOM 757 O LYS A 97 54.301 7.670 26.334 1.00 0.00 ATOM 758 C LYS A 97 55.313 6.966 26.203 1.00 0.00 ATOM 759 N HIS A 98 56.426 6.967 27.066 1.00 0.00 ATOM 760 CA HIS A 98 56.385 7.830 28.228 1.00 0.00 ATOM 761 CB HIS A 98 57.338 7.271 29.286 1.00 0.00 ATOM 762 CG HIS A 98 56.975 5.899 29.762 1.00 0.00 ATOM 763 CD2 HIS A 98 57.565 4.573 29.654 1.00 0.00 ATOM 764 ND1 HIS A 98 55.838 5.642 30.496 1.00 0.00 ATOM 765 CE1 HIS A 98 55.784 4.328 30.775 1.00 0.00 ATOM 766 NE2 HIS A 98 56.817 3.680 30.272 1.00 0.00 ATOM 767 O HIS A 98 57.866 9.736 28.257 1.00 0.00 ATOM 768 C HIS A 98 56.851 9.223 27.780 1.00 0.00 ATOM 769 N ASP A 99 56.096 9.832 26.870 1.00 0.00 ATOM 770 CA ASP A 99 56.446 11.136 26.312 1.00 0.00 ATOM 771 CB ASP A 99 55.945 11.261 24.872 1.00 0.00 ATOM 772 CG ASP A 99 54.434 11.187 24.772 1.00 0.00 ATOM 773 OD1 ASP A 99 53.777 11.017 25.821 1.00 0.00 ATOM 774 OD2 ASP A 99 53.906 11.299 23.646 1.00 0.00 ATOM 775 O ASP A 99 56.075 13.497 26.552 1.00 0.00 ATOM 776 C ASP A 99 55.897 12.366 27.023 1.00 0.00 ATOM 777 N ARG A 100 55.229 12.143 28.148 1.00 0.00 ATOM 778 CA ARG A 100 54.676 13.235 28.935 1.00 0.00 ATOM 779 CB ARG A 100 53.206 13.461 28.613 1.00 0.00 ATOM 780 CG ARG A 100 52.902 13.884 27.200 1.00 0.00 ATOM 781 CD ARG A 100 51.373 14.038 27.022 1.00 0.00 ATOM 782 NE ARG A 100 50.820 15.110 27.855 1.00 0.00 ATOM 783 CZ ARG A 100 49.520 15.385 27.958 1.00 0.00 ATOM 784 NH1 ARG A 100 48.625 14.656 27.289 1.00 0.00 ATOM 785 NH2 ARG A 100 49.113 16.417 28.691 1.00 0.00 ATOM 786 O ARG A 100 54.361 11.527 30.583 1.00 0.00 ATOM 787 C ARG A 100 54.384 12.735 30.344 1.00 0.00 ATOM 788 N ALA A 101 54.181 13.670 31.289 1.00 0.00 ATOM 789 CA ALA A 101 53.899 13.276 32.664 1.00 0.00 ATOM 790 CB ALA A 101 54.002 14.459 33.614 1.00 0.00 ATOM 791 O ALA A 101 51.654 12.874 31.893 1.00 0.00 ATOM 792 C ALA A 101 52.483 12.714 32.794 1.00 0.00 ATOM 793 N PHE A 102 52.241 12.002 33.890 1.00 0.00 ATOM 794 CA PHE A 102 50.936 11.411 34.201 1.00 0.00 ATOM 795 CB PHE A 102 50.100 12.298 35.138 1.00 0.00 ATOM 796 CG PHE A 102 49.571 13.568 34.491 1.00 0.00 ATOM 797 CD1 PHE A 102 48.340 13.579 33.828 1.00 0.00 ATOM 798 CD2 PHE A 102 50.317 14.743 34.542 1.00 0.00 ATOM 799 CE1 PHE A 102 47.855 14.752 33.235 1.00 0.00 ATOM 800 CE2 PHE A 102 49.843 15.912 33.954 1.00 0.00 ATOM 801 CZ PHE A 102 48.613 15.921 33.297 1.00 0.00 ATOM 802 O PHE A 102 49.272 10.194 32.949 1.00 0.00 ATOM 803 C PHE A 102 50.453 10.320 33.251 1.00 0.00 ATOM 804 N LEU A 103 51.401 9.520 32.797 1.00 0.00 ATOM 805 CA LEU A 103 51.123 8.403 31.920 1.00 0.00 ATOM 806 CB LEU A 103 52.254 8.224 30.905 1.00 0.00 ATOM 807 CG LEU A 103 52.510 9.400 29.962 1.00 0.00 ATOM 808 CD1 LEU A 103 53.709 9.122 29.068 1.00 0.00 ATOM 809 CD2 LEU A 103 51.302 9.651 29.072 1.00 0.00 ATOM 810 O LEU A 103 51.713 7.130 33.878 1.00 0.00 ATOM 811 C LEU A 103 51.028 7.177 32.850 1.00 0.00 ATOM 812 N LEU A 104 50.112 6.251 32.560 1.00 0.00 ATOM 813 CA LEU A 104 49.952 5.043 33.382 1.00 0.00 ATOM 814 CB LEU A 104 48.467 4.729 33.571 1.00 0.00 ATOM 815 CG LEU A 104 48.137 3.471 34.378 1.00 0.00 ATOM 816 CD1 LEU A 104 48.602 3.619 35.819 1.00 0.00 ATOM 817 CD2 LEU A 104 46.638 3.215 34.386 1.00 0.00 ATOM 818 O LEU A 104 50.300 3.545 31.531 1.00 0.00 ATOM 819 C LEU A 104 50.646 3.891 32.660 1.00 0.00 ATOM 820 N SER A 105 51.621 3.293 33.332 1.00 0.00 ATOM 821 CA SER A 105 52.408 2.224 32.743 1.00 0.00 ATOM 822 CB SER A 105 53.837 2.697 32.467 1.00 0.00 ATOM 823 OG SER A 105 54.610 1.665 31.878 1.00 0.00 ATOM 824 O SER A 105 52.264 1.066 34.856 1.00 0.00 ATOM 825 C SER A 105 52.501 0.989 33.642 1.00 0.00 ATOM 826 N MET A 106 52.835 -0.154 33.045 1.00 0.00 ATOM 827 CA MET A 106 52.947 -1.400 33.798 1.00 0.00 ATOM 828 CB MET A 106 52.729 -2.604 32.880 1.00 0.00 ATOM 829 CG MET A 106 51.345 -2.665 32.253 1.00 0.00 ATOM 830 SD MET A 106 50.028 -2.732 33.482 1.00 0.00 ATOM 831 CE MET A 106 50.291 -4.363 34.173 1.00 0.00 ATOM 832 O MET A 106 55.340 -1.423 33.826 1.00 0.00 ATOM 833 C MET A 106 54.300 -1.579 34.463 1.00 0.00 ATOM 834 N ALA A 107 54.273 -1.925 35.745 1.00 0.00 ATOM 835 CA ALA A 107 55.497 -2.212 36.481 1.00 0.00 ATOM 836 CB ALA A 107 55.283 -2.003 37.972 1.00 0.00 ATOM 837 O ALA A 107 54.854 -4.450 35.864 1.00 0.00 ATOM 838 C ALA A 107 55.783 -3.687 36.154 1.00 0.00 ATOM 839 N ASN A 108 57.057 -4.070 36.112 1.00 0.00 ATOM 840 CA ASN A 108 57.411 -5.460 35.829 1.00 0.00 ATOM 841 CB ASN A 108 57.537 -5.678 34.320 1.00 0.00 ATOM 842 CG ASN A 108 58.594 -4.793 33.690 1.00 0.00 ATOM 843 ND2 ASN A 108 58.206 -4.055 32.657 1.00 0.00 ATOM 844 OD1 ASN A 108 59.744 -4.774 34.128 1.00 0.00 ATOM 845 O ASN A 108 59.419 -5.074 37.106 1.00 0.00 ATOM 846 C ASN A 108 58.745 -5.882 36.460 1.00 0.00 ATOM 847 N ARG A 109 59.105 -7.152 36.277 1.00 0.00 ATOM 848 CA ARG A 109 60.347 -7.713 36.810 1.00 0.00 ATOM 849 CB ARG A 109 60.065 -8.771 37.868 1.00 0.00 ATOM 850 CG ARG A 109 59.382 -8.202 39.074 1.00 0.00 ATOM 851 CD ARG A 109 59.350 -9.215 40.205 1.00 0.00 ATOM 852 NE ARG A 109 58.397 -8.728 41.188 1.00 0.00 ATOM 853 CZ ARG A 109 57.089 -8.949 41.117 1.00 0.00 ATOM 854 NH1 ARG A 109 56.581 -9.674 40.125 1.00 0.00 ATOM 855 NH2 ARG A 109 56.283 -8.391 42.008 1.00 0.00 ATOM 856 O ARG A 109 61.798 -9.342 35.793 1.00 0.00 ATOM 857 C ARG A 109 61.141 -8.316 35.644 1.00 0.00 ATOM 858 N GLY A 110 61.076 -7.671 34.485 1.00 0.00 ATOM 859 CA GLY A 110 61.768 -8.171 33.310 1.00 0.00 ATOM 860 O GLY A 110 59.599 -8.097 32.313 1.00 0.00 ATOM 861 C GLY A 110 60.791 -8.362 32.160 1.00 0.00 ATOM 862 N LYS A 111 61.257 -8.819 30.989 1.00 0.00 ATOM 863 CA LYS A 111 60.357 -9.019 29.851 1.00 0.00 ATOM 864 CB LYS A 111 61.126 -9.586 28.656 1.00 0.00 ATOM 865 CG LYS A 111 62.158 -8.634 28.074 1.00 0.00 ATOM 866 CD LYS A 111 62.858 -9.246 26.872 1.00 0.00 ATOM 867 CE LYS A 111 63.940 -8.323 26.334 1.00 0.00 ATOM 868 NZ LYS A 111 64.670 -8.932 25.188 1.00 0.00 ATOM 869 O LYS A 111 59.461 -11.081 30.718 1.00 0.00 ATOM 870 C LYS A 111 59.237 -10.029 30.114 1.00 0.00 ATOM 871 N HIS A 112 58.010 -9.602 29.617 1.00 0.00 ATOM 872 CA HIS A 112 56.843 -10.465 29.762 1.00 0.00 ATOM 873 CB HIS A 112 56.998 -11.762 28.966 1.00 0.00 ATOM 874 CG HIS A 112 57.240 -11.550 27.505 1.00 0.00 ATOM 875 CD2 HIS A 112 58.336 -11.819 26.585 1.00 0.00 ATOM 876 ND1 HIS A 112 56.307 -10.972 26.671 1.00 0.00 ATOM 877 CE1 HIS A 112 56.810 -10.917 25.424 1.00 0.00 ATOM 878 NE2 HIS A 112 58.026 -11.423 25.365 1.00 0.00 ATOM 879 O HIS A 112 56.241 -12.057 31.435 1.00 0.00 ATOM 880 C HIS A 112 56.501 -10.882 31.183 1.00 0.00 ATOM 881 N THR A 113 56.517 -9.933 32.113 1.00 0.00 ATOM 882 CA THR A 113 56.202 -10.236 33.506 1.00 0.00 ATOM 883 CB THR A 113 57.450 -10.137 34.402 1.00 0.00 ATOM 884 CG2 THR A 113 58.494 -11.158 33.978 1.00 0.00 ATOM 885 OG1 THR A 113 58.016 -8.824 34.293 1.00 0.00 ATOM 886 O THR A 113 55.310 -8.801 35.212 1.00 0.00 ATOM 887 C THR A 113 55.178 -9.258 34.069 1.00 0.00 ATOM 888 N ASN A 114 54.145 -8.965 33.280 1.00 0.00 ATOM 889 CA ASN A 114 53.084 -8.049 33.706 1.00 0.00 ATOM 890 CB ASN A 114 52.426 -7.344 32.492 1.00 0.00 ATOM 891 CG ASN A 114 53.419 -6.684 31.584 1.00 0.00 ATOM 892 ND2 ASN A 114 53.143 -6.735 30.284 1.00 0.00 ATOM 893 OD1 ASN A 114 54.438 -6.130 32.036 1.00 0.00 ATOM 894 O ASN A 114 51.487 -9.750 34.230 1.00 0.00 ATOM 895 C ASN A 114 52.065 -8.735 34.607 1.00 0.00 ATOM 896 N GLY A 115 51.826 -8.149 35.778 1.00 0.00 ATOM 897 CA GLY A 115 50.860 -8.697 36.715 1.00 0.00 ATOM 898 O GLY A 115 48.854 -7.518 36.147 1.00 0.00 ATOM 899 C GLY A 115 49.735 -7.717 36.987 1.00 0.00 ATOM 900 N SER A 116 49.770 -7.087 38.157 1.00 0.00 ATOM 901 CA SER A 116 48.758 -6.106 38.544 1.00 0.00 ATOM 902 CB SER A 116 47.931 -6.631 39.719 1.00 0.00 ATOM 903 OG SER A 116 48.741 -6.825 40.866 1.00 0.00 ATOM 904 O SER A 116 48.714 -3.741 38.915 1.00 0.00 ATOM 905 C SER A 116 49.442 -4.783 38.886 1.00 0.00 ATOM 906 N GLN A 117 50.697 -4.800 39.113 1.00 0.00 ATOM 907 CA GLN A 117 51.381 -3.536 39.562 1.00 0.00 ATOM 908 CB GLN A 117 52.773 -3.873 40.101 1.00 0.00 ATOM 909 CG GLN A 117 53.558 -2.668 40.590 1.00 0.00 ATOM 910 CD GLN A 117 54.878 -3.053 41.230 1.00 0.00 ATOM 911 OE1 GLN A 117 55.130 -4.228 41.495 1.00 0.00 ATOM 912 NE2 GLN A 117 55.724 -2.061 41.481 1.00 0.00 ATOM 913 O GLN A 117 51.875 -2.917 37.303 1.00 0.00 ATOM 914 C GLN A 117 51.562 -2.545 38.428 1.00 0.00 ATOM 915 N PHE A 118 51.390 -1.268 38.754 1.00 0.00 ATOM 916 CA PHE A 118 51.488 -0.186 37.784 1.00 0.00 ATOM 917 CB PHE A 118 50.100 0.191 37.261 1.00 0.00 ATOM 918 CG PHE A 118 49.189 0.755 38.312 1.00 0.00 ATOM 919 CD1 PHE A 118 49.117 2.121 38.526 1.00 0.00 ATOM 920 CD2 PHE A 118 48.403 -0.077 39.088 1.00 0.00 ATOM 921 CE1 PHE A 118 48.277 2.641 39.493 1.00 0.00 ATOM 922 CE2 PHE A 118 47.563 0.442 40.056 1.00 0.00 ATOM 923 CZ PHE A 118 47.499 1.795 40.260 1.00 0.00 ATOM 924 O PHE A 118 52.210 1.133 39.655 1.00 0.00 ATOM 925 C PHE A 118 52.109 1.042 38.432 1.00 0.00 ATOM 926 N PHE A 119 52.487 2.005 37.599 1.00 0.00 ATOM 927 CA PHE A 119 53.044 3.253 38.096 1.00 0.00 ATOM 928 CB PHE A 119 54.581 3.204 38.171 1.00 0.00 ATOM 929 CG PHE A 119 55.280 2.993 36.843 1.00 0.00 ATOM 930 CD1 PHE A 119 55.712 4.083 36.089 1.00 0.00 ATOM 931 CD2 PHE A 119 55.531 1.710 36.368 1.00 0.00 ATOM 932 CE1 PHE A 119 56.386 3.901 34.885 1.00 0.00 ATOM 933 CE2 PHE A 119 56.210 1.513 35.160 1.00 0.00 ATOM 934 CZ PHE A 119 56.640 2.612 34.418 1.00 0.00 ATOM 935 O PHE A 119 52.102 4.242 36.112 1.00 0.00 ATOM 936 C PHE A 119 52.534 4.418 37.262 1.00 0.00 ATOM 937 N ILE A 120 52.462 5.580 37.899 1.00 0.00 ATOM 938 CA ILE A 120 52.025 6.799 37.235 1.00 0.00 ATOM 939 CB ILE A 120 50.841 7.463 37.902 1.00 0.00 ATOM 940 CG1 ILE A 120 49.616 6.546 38.000 1.00 0.00 ATOM 941 CG2 ILE A 120 50.502 8.785 37.183 1.00 0.00 ATOM 942 CD1 ILE A 120 48.559 7.041 38.908 1.00 0.00 ATOM 943 O ILE A 120 53.760 8.011 38.372 1.00 0.00 ATOM 944 C ILE A 120 53.222 7.747 37.298 1.00 0.00 ATOM 945 N THR A 121 53.738 8.179 36.119 1.00 0.00 ATOM 946 CA THR A 121 54.901 9.057 36.059 1.00 0.00 ATOM 947 CB THR A 121 55.588 8.980 34.683 1.00 0.00 ATOM 948 CG2 THR A 121 56.034 7.556 34.389 1.00 0.00 ATOM 949 OG1 THR A 121 54.672 9.399 33.664 1.00 0.00 ATOM 950 O THR A 121 53.313 10.862 36.198 1.00 0.00 ATOM 951 C THR A 121 54.491 10.516 36.286 1.00 0.00 ATOM 952 N THR A 122 55.466 11.364 36.611 1.00 0.00 ATOM 953 CA THR A 122 55.202 12.780 36.843 1.00 0.00 ATOM 954 CB THR A 122 55.476 13.178 38.305 1.00 0.00 ATOM 955 CG2 THR A 122 54.554 12.418 39.246 1.00 0.00 ATOM 956 OG1 THR A 122 56.836 12.870 38.640 1.00 0.00 ATOM 957 O THR A 122 56.059 14.921 36.108 1.00 0.00 ATOM 958 C THR A 122 56.077 13.696 35.962 1.00 0.00 ATOM 959 N LYS A 123 56.831 13.081 35.049 1.00 0.00 ATOM 960 CA LYS A 123 57.702 13.771 34.078 1.00 0.00 ATOM 961 CB LYS A 123 59.032 14.197 34.720 1.00 0.00 ATOM 962 CG LYS A 123 59.870 13.071 35.376 1.00 0.00 ATOM 963 CD LYS A 123 61.179 13.581 36.027 1.00 0.00 ATOM 964 CE LYS A 123 62.280 13.875 34.990 1.00 0.00 ATOM 965 NZ LYS A 123 62.704 12.667 34.202 1.00 0.00 ATOM 966 O LYS A 123 57.709 11.577 33.138 1.00 0.00 ATOM 967 C LYS A 123 57.923 12.775 32.958 1.00 0.00 ATOM 968 N PRO A 124 58.299 13.239 31.745 1.00 0.00 ATOM 969 CA PRO A 124 58.533 12.316 30.630 1.00 0.00 ATOM 970 CB PRO A 124 58.959 13.249 29.484 1.00 0.00 ATOM 971 CG PRO A 124 58.456 14.529 29.827 1.00 0.00 ATOM 972 CD PRO A 124 58.386 14.650 31.324 1.00 0.00 ATOM 973 O PRO A 124 60.558 11.678 31.776 1.00 0.00 ATOM 974 C PRO A 124 59.673 11.345 30.982 1.00 0.00 ATOM 975 N ALA A 125 59.620 10.134 30.427 1.00 0.00 ATOM 976 CA ALA A 125 60.629 9.113 30.709 1.00 0.00 ATOM 977 CB ALA A 125 60.224 8.269 31.909 1.00 0.00 ATOM 978 O ALA A 125 60.634 6.961 29.650 1.00 0.00 ATOM 979 C ALA A 125 60.827 8.170 29.523 1.00 0.00 ATOM 980 N PRO A 126 61.309 8.696 28.382 1.00 0.00 ATOM 981 CA PRO A 126 61.541 7.899 27.170 1.00 0.00 ATOM 982 CB PRO A 126 62.168 8.891 26.188 1.00 0.00 ATOM 983 CG PRO A 126 62.774 9.942 27.056 1.00 0.00 ATOM 984 CD PRO A 126 61.860 10.083 28.241 1.00 0.00 ATOM 985 O PRO A 126 62.282 5.725 26.589 1.00 0.00 ATOM 986 C PRO A 126 62.421 6.664 27.366 1.00 0.00 ATOM 987 N HIS A 127 63.344 6.701 28.331 1.00 0.00 ATOM 988 CA HIS A 127 64.231 5.563 28.573 1.00 0.00 ATOM 989 CB HIS A 127 65.247 5.918 29.660 1.00 0.00 ATOM 990 CG HIS A 127 64.646 6.071 31.022 1.00 0.00 ATOM 991 CD2 HIS A 127 64.536 5.232 32.208 1.00 0.00 ATOM 992 ND1 HIS A 127 64.000 7.218 31.428 1.00 0.00 ATOM 993 CE1 HIS A 127 63.571 7.055 32.692 1.00 0.00 ATOM 994 NE2 HIS A 127 63.889 5.866 33.166 1.00 0.00 ATOM 995 O HIS A 127 64.009 3.194 28.906 1.00 0.00 ATOM 996 C HIS A 127 63.478 4.298 28.994 1.00 0.00 ATOM 997 N LEU A 128 62.237 4.473 29.445 1.00 0.00 ATOM 998 CA LEU A 128 61.402 3.354 29.858 1.00 0.00 ATOM 999 CB LEU A 128 60.406 3.807 30.927 1.00 0.00 ATOM 1000 CG LEU A 128 61.005 4.322 32.237 1.00 0.00 ATOM 1001 CD1 LEU A 128 59.912 4.829 33.164 1.00 0.00 ATOM 1002 CD2 LEU A 128 61.761 3.214 32.954 1.00 0.00 ATOM 1003 O LEU A 128 60.162 1.637 28.763 1.00 0.00 ATOM 1004 C LEU A 128 60.666 2.749 28.661 1.00 0.00 ATOM 1005 N ASP A 129 60.700 3.495 27.555 1.00 0.00 ATOM 1006 CA ASP A 129 59.972 2.967 26.329 1.00 0.00 ATOM 1007 CB ASP A 129 60.150 3.976 25.193 1.00 0.00 ATOM 1008 CG ASP A 129 59.329 5.235 25.397 1.00 0.00 ATOM 1009 OD1 ASP A 129 58.477 5.246 26.310 1.00 0.00 ATOM 1010 OD2 ASP A 129 59.537 6.208 24.643 1.00 0.00 ATOM 1011 O ASP A 129 61.790 1.448 25.997 1.00 0.00 ATOM 1012 C ASP A 129 60.572 1.635 25.915 1.00 0.00 ATOM 1013 N GLY A 130 59.713 0.722 25.467 1.00 0.00 ATOM 1014 CA GLY A 130 60.122 -0.611 25.032 1.00 0.00 ATOM 1015 O GLY A 130 60.805 -2.671 25.971 1.00 0.00 ATOM 1016 C GLY A 130 60.444 -1.542 26.200 1.00 0.00 ATOM 1017 N VAL A 131 60.275 -1.068 27.405 1.00 0.00 ATOM 1018 CA VAL A 131 60.488 -1.919 28.605 1.00 0.00 ATOM 1019 CB VAL A 131 61.556 -1.243 29.485 1.00 0.00 ATOM 1020 CG1 VAL A 131 61.825 -2.075 30.730 1.00 0.00 ATOM 1021 CG2 VAL A 131 62.861 -1.092 28.717 1.00 0.00 ATOM 1022 O VAL A 131 58.828 -3.131 29.869 1.00 0.00 ATOM 1023 C VAL A 131 59.180 -2.051 29.395 1.00 0.00 ATOM 1024 N HIS A 132 58.452 -0.944 29.508 1.00 0.00 ATOM 1025 CA HIS A 132 57.189 -0.919 30.234 1.00 0.00 ATOM 1026 CB HIS A 132 57.245 0.099 31.375 1.00 0.00 ATOM 1027 CG HIS A 132 58.323 -0.176 32.377 1.00 0.00 ATOM 1028 CD2 HIS A 132 59.698 0.261 32.569 1.00 0.00 ATOM 1029 ND1 HIS A 132 58.146 -1.027 33.447 1.00 0.00 ATOM 1030 CE1 HIS A 132 59.282 -1.071 34.165 1.00 0.00 ATOM 1031 NE2 HIS A 132 60.218 -0.301 33.644 1.00 0.00 ATOM 1032 O HIS A 132 56.166 0.436 28.544 1.00 0.00 ATOM 1033 C HIS A 132 56.053 -0.535 29.295 1.00 0.00 ATOM 1034 N VAL A 133 54.974 -1.314 29.321 1.00 0.00 ATOM 1035 CA VAL A 133 53.818 -1.053 28.472 1.00 0.00 ATOM 1036 CB VAL A 133 52.911 -2.293 28.357 1.00 0.00 ATOM 1037 CG1 VAL A 133 51.676 -1.974 27.527 1.00 0.00 ATOM 1038 CG2 VAL A 133 53.656 -3.438 27.690 1.00 0.00 ATOM 1039 O VAL A 133 52.437 -0.009 30.129 1.00 0.00 ATOM 1040 C VAL A 133 52.956 0.081 29.017 1.00 0.00 ATOM 1041 N VAL A 134 52.857 1.160 28.242 1.00 0.00 ATOM 1042 CA VAL A 134 52.043 2.321 28.597 1.00 0.00 ATOM 1043 CB VAL A 134 52.474 3.583 27.852 1.00 0.00 ATOM 1044 CG1 VAL A 134 51.557 4.731 28.248 1.00 0.00 ATOM 1045 CG2 VAL A 134 53.915 3.918 28.224 1.00 0.00 ATOM 1046 O VAL A 134 50.502 1.617 26.901 1.00 0.00 ATOM 1047 C VAL A 134 50.651 2.020 28.060 1.00 0.00 ATOM 1048 N PHE A 135 49.636 2.195 28.899 1.00 0.00 ATOM 1049 CA PHE A 135 48.273 1.874 28.494 1.00 0.00 ATOM 1050 CB PHE A 135 47.882 0.389 28.872 1.00 0.00 ATOM 1051 CG PHE A 135 47.784 0.221 30.338 1.00 0.00 ATOM 1052 CD1 PHE A 135 48.922 -0.046 31.112 1.00 0.00 ATOM 1053 CD2 PHE A 135 46.549 0.510 30.980 1.00 0.00 ATOM 1054 CE1 PHE A 135 48.793 -0.187 32.518 1.00 0.00 ATOM 1055 CE2 PHE A 135 46.390 0.401 32.369 1.00 0.00 ATOM 1056 CZ PHE A 135 47.552 0.058 33.191 1.00 0.00 ATOM 1057 O PHE A 135 46.084 2.813 28.406 1.00 0.00 ATOM 1058 C PHE A 135 47.231 2.922 28.838 1.00 0.00 ATOM 1059 N GLY A 136 47.615 3.929 29.612 1.00 0.00 ATOM 1060 CA GLY A 136 46.657 4.951 29.987 1.00 0.00 ATOM 1061 O GLY A 136 48.492 6.446 30.287 1.00 0.00 ATOM 1062 C GLY A 136 47.270 6.296 30.303 1.00 0.00 ATOM 1063 N LEU A 137 46.409 7.261 30.626 1.00 0.00 ATOM 1064 CA LEU A 137 46.827 8.621 30.947 1.00 0.00 ATOM 1065 CB LEU A 137 46.765 9.494 29.692 1.00 0.00 ATOM 1066 CG LEU A 137 47.113 10.972 29.876 1.00 0.00 ATOM 1067 CD1 LEU A 137 48.586 11.139 30.216 1.00 0.00 ATOM 1068 CD2 LEU A 137 46.828 11.754 28.603 1.00 0.00 ATOM 1069 O LEU A 137 44.657 9.082 31.856 1.00 0.00 ATOM 1070 C LEU A 137 45.873 9.225 31.977 1.00 0.00 ATOM 1071 N VAL A 138 46.420 9.895 32.985 1.00 0.00 ATOM 1072 CA VAL A 138 45.595 10.554 33.994 1.00 0.00 ATOM 1073 CB VAL A 138 46.445 11.026 35.188 1.00 0.00 ATOM 1074 CG1 VAL A 138 45.579 11.752 36.206 1.00 0.00 ATOM 1075 CG2 VAL A 138 47.103 9.839 35.876 1.00 0.00 ATOM 1076 O VAL A 138 45.653 12.610 32.747 1.00 0.00 ATOM 1077 C VAL A 138 44.954 11.787 33.368 1.00 0.00 ATOM 1078 N ILE A 139 43.628 11.907 33.475 1.00 0.00 ATOM 1079 CA ILE A 139 42.837 12.970 32.871 1.00 0.00 ATOM 1080 CB ILE A 139 41.567 12.471 32.156 1.00 0.00 ATOM 1081 CG1 ILE A 139 40.617 11.810 33.157 1.00 0.00 ATOM 1082 CG2 ILE A 139 41.924 11.452 31.085 1.00 0.00 ATOM 1083 CD1 ILE A 139 39.253 11.492 32.586 1.00 0.00 ATOM 1084 O ILE A 139 42.134 15.179 33.513 1.00 0.00 ATOM 1085 C ILE A 139 42.369 14.027 33.876 1.00 0.00 ATOM 1086 N SER A 140 42.246 13.633 35.138 1.00 0.00 ATOM 1087 CA SER A 140 41.856 14.549 36.203 1.00 0.00 ATOM 1088 CB SER A 140 40.340 14.600 36.245 1.00 0.00 ATOM 1089 OG SER A 140 39.802 15.448 37.248 1.00 0.00 ATOM 1090 O SER A 140 42.598 12.773 37.633 1.00 0.00 ATOM 1091 C SER A 140 42.423 13.984 37.496 1.00 0.00 ATOM 1092 N GLY A 141 42.672 14.856 38.463 1.00 0.00 ATOM 1093 CA GLY A 141 43.241 14.403 39.717 1.00 0.00 ATOM 1094 O GLY A 141 45.319 13.651 40.637 1.00 0.00 ATOM 1095 C GLY A 141 44.752 14.284 39.742 1.00 0.00 ATOM 1096 N PHE A 142 45.406 14.884 38.739 1.00 0.00 ATOM 1097 CA PHE A 142 46.862 14.841 38.654 1.00 0.00 ATOM 1098 CB PHE A 142 47.383 15.542 37.399 1.00 0.00 ATOM 1099 CG PHE A 142 47.216 17.035 37.425 1.00 0.00 ATOM 1100 CD1 PHE A 142 48.163 17.840 38.034 1.00 0.00 ATOM 1101 CD2 PHE A 142 46.114 17.635 36.843 1.00 0.00 ATOM 1102 CE1 PHE A 142 48.011 19.214 38.059 1.00 0.00 ATOM 1103 CE2 PHE A 142 45.961 19.008 36.868 1.00 0.00 ATOM 1104 CZ PHE A 142 46.904 19.797 37.472 1.00 0.00 ATOM 1105 O PHE A 142 48.577 15.038 40.331 1.00 0.00 ATOM 1106 C PHE A 142 47.488 15.437 39.916 1.00 0.00 ATOM 1107 N GLU A 143 46.777 16.405 40.549 1.00 0.00 ATOM 1108 CA GLU A 143 47.278 17.009 41.777 1.00 0.00 ATOM 1109 CB GLU A 143 46.428 18.226 42.145 1.00 0.00 ATOM 1110 CG GLU A 143 46.521 19.373 41.151 1.00 0.00 ATOM 1111 CD GLU A 143 45.612 20.531 41.512 1.00 0.00 ATOM 1112 OE1 GLU A 143 44.900 20.433 42.533 1.00 0.00 ATOM 1113 OE2 GLU A 143 45.613 21.539 40.773 1.00 0.00 ATOM 1114 O GLU A 143 48.176 16.075 43.820 1.00 0.00 ATOM 1115 C GLU A 143 47.262 16.045 42.975 1.00 0.00 ATOM 1116 N VAL A 144 46.290 15.165 43.069 1.00 0.00 ATOM 1117 CA VAL A 144 46.347 14.064 44.058 1.00 0.00 ATOM 1118 CB VAL A 144 44.943 13.311 44.131 1.00 0.00 ATOM 1119 CG1 VAL A 144 45.035 12.014 44.965 1.00 0.00 ATOM 1120 CG2 VAL A 144 43.858 14.179 44.663 1.00 0.00 ATOM 1121 O VAL A 144 48.110 12.598 44.812 1.00 0.00 ATOM 1122 C VAL A 144 47.535 13.106 43.850 1.00 0.00 ATOM 1123 N ILE A 145 47.942 12.928 42.592 1.00 0.00 ATOM 1124 CA ILE A 145 49.106 12.103 42.274 1.00 0.00 ATOM 1125 CB ILE A 145 49.272 11.924 40.754 1.00 0.00 ATOM 1126 CG1 ILE A 145 48.116 11.100 40.184 1.00 0.00 ATOM 1127 CG2 ILE A 145 50.576 11.207 40.440 1.00 0.00 ATOM 1128 CD1 ILE A 145 48.053 11.098 38.673 1.00 0.00 ATOM 1129 O ILE A 145 51.166 12.084 43.473 1.00 0.00 ATOM 1130 C ILE A 145 50.366 12.746 42.852 1.00 0.00 ATOM 1131 N GLU A 146 50.522 14.050 42.639 1.00 0.00 ATOM 1132 CA GLU A 146 51.651 14.781 43.157 1.00 0.00 ATOM 1133 CB GLU A 146 51.724 16.197 42.579 1.00 0.00 ATOM 1134 CG GLU A 146 52.054 16.245 41.096 1.00 0.00 ATOM 1135 CD GLU A 146 52.027 17.654 40.539 1.00 0.00 ATOM 1136 OE1 GLU A 146 51.687 18.587 41.299 1.00 0.00 ATOM 1137 OE2 GLU A 146 52.344 17.828 39.344 1.00 0.00 ATOM 1138 O GLU A 146 52.661 14.911 45.338 1.00 0.00 ATOM 1139 C GLU A 146 51.614 14.882 44.686 1.00 0.00 ATOM 1140 N GLN A 147 50.408 14.932 45.251 1.00 0.00 ATOM 1141 CA GLN A 147 50.283 14.986 46.707 1.00 0.00 ATOM 1142 CB GLN A 147 48.889 15.075 47.172 1.00 0.00 ATOM 1143 CG GLN A 147 48.744 15.159 48.682 1.00 0.00 ATOM 1144 CD GLN A 147 49.612 16.243 49.286 1.00 0.00 ATOM 1145 OE1 GLN A 147 50.544 15.959 50.047 1.00 0.00 ATOM 1146 NE2 GLN A 147 49.318 17.498 48.942 1.00 0.00 ATOM 1147 O GLN A 147 51.655 13.729 48.252 1.00 0.00 ATOM 1148 C GLN A 147 50.879 13.701 47.296 1.00 0.00 ATOM 1149 N ILE A 148 50.519 12.547 46.699 1.00 0.00 ATOM 1150 CA ILE A 148 51.025 11.251 47.144 1.00 0.00 ATOM 1151 CB ILE A 148 50.347 10.106 46.369 1.00 0.00 ATOM 1152 CG1 ILE A 148 48.864 10.018 46.738 1.00 0.00 ATOM 1153 CG2 ILE A 148 51.006 8.776 46.700 1.00 0.00 ATOM 1154 CD1 ILE A 148 48.065 9.100 45.838 1.00 0.00 ATOM 1155 O ILE A 148 53.271 10.666 47.768 1.00 0.00 ATOM 1156 C ILE A 148 52.533 11.150 46.909 1.00 0.00 ATOM 1157 N GLU A 149 52.978 11.642 45.756 1.00 0.00 ATOM 1158 CA GLU A 149 54.385 11.603 45.360 1.00 0.00 ATOM 1159 CB GLU A 149 54.576 12.267 43.995 1.00 0.00 ATOM 1160 CG GLU A 149 55.995 12.183 43.456 1.00 0.00 ATOM 1161 CD GLU A 149 56.125 12.763 42.062 1.00 0.00 ATOM 1162 OE1 GLU A 149 55.100 13.212 41.507 1.00 0.00 ATOM 1163 OE2 GLU A 149 57.251 12.768 41.523 1.00 0.00 ATOM 1164 O GLU A 149 56.523 11.921 46.416 1.00 0.00 ATOM 1165 C GLU A 149 55.358 12.318 46.297 1.00 0.00 ATOM 1166 N ASN A 150 54.900 13.394 46.926 1.00 0.00 ATOM 1167 CA ASN A 150 55.767 14.158 47.815 1.00 0.00 ATOM 1168 CB ASN A 150 55.470 15.654 47.708 1.00 0.00 ATOM 1169 CG ASN A 150 55.839 16.226 46.353 1.00 0.00 ATOM 1170 ND2 ASN A 150 54.836 16.679 45.610 1.00 0.00 ATOM 1171 OD1 ASN A 150 57.012 16.259 45.981 1.00 0.00 ATOM 1172 O ASN A 150 56.193 14.563 50.134 1.00 0.00 ATOM 1173 C ASN A 150 55.674 13.828 49.295 1.00 0.00 ATOM 1174 N LEU A 151 55.037 12.704 49.606 1.00 0.00 ATOM 1175 CA LEU A 151 54.894 12.252 50.987 1.00 0.00 ATOM 1176 CB LEU A 151 53.869 11.120 51.074 1.00 0.00 ATOM 1177 CG LEU A 151 52.431 11.477 50.690 1.00 0.00 ATOM 1178 CD1 LEU A 151 51.547 10.239 50.706 1.00 0.00 ATOM 1179 CD2 LEU A 151 51.850 12.488 51.667 1.00 0.00 ATOM 1180 O LEU A 151 57.031 11.180 50.760 1.00 0.00 ATOM 1181 C LEU A 151 56.233 11.745 51.514 1.00 0.00 ATOM 1182 N LYS A 152 56.476 11.953 52.805 1.00 0.00 ATOM 1183 CA LYS A 152 57.718 11.513 53.436 1.00 0.00 ATOM 1184 CB LYS A 152 57.747 11.928 54.908 1.00 0.00 ATOM 1185 CG LYS A 152 59.041 11.579 55.627 1.00 0.00 ATOM 1186 CD LYS A 152 59.035 12.095 57.056 1.00 0.00 ATOM 1187 CE LYS A 152 60.322 11.732 57.779 1.00 0.00 ATOM 1188 NZ LYS A 152 60.337 12.245 59.177 1.00 0.00 ATOM 1189 O LYS A 152 56.890 9.278 53.668 1.00 0.00 ATOM 1190 C LYS A 152 57.839 9.991 53.355 1.00 0.00 ATOM 1191 N THR A 153 59.000 9.504 52.919 1.00 0.00 ATOM 1192 CA THR A 153 59.239 8.068 52.787 1.00 0.00 ATOM 1193 CB THR A 153 59.473 7.626 51.325 1.00 0.00 ATOM 1194 CG2 THR A 153 58.217 7.879 50.470 1.00 0.00 ATOM 1195 OG1 THR A 153 60.602 8.316 50.772 1.00 0.00 ATOM 1196 O THR A 153 61.265 8.381 54.045 1.00 0.00 ATOM 1197 C THR A 153 60.449 7.583 53.583 1.00 0.00 ATOM 1198 N ASP A 154 60.546 6.266 53.744 1.00 0.00 ATOM 1199 CA ASP A 154 61.674 5.651 54.434 1.00 0.00 ATOM 1200 CB ASP A 154 61.323 4.439 55.308 1.00 0.00 ATOM 1201 CG ASP A 154 60.809 3.234 54.550 1.00 0.00 ATOM 1202 OD1 ASP A 154 61.005 3.128 53.324 1.00 0.00 ATOM 1203 OD2 ASP A 154 60.176 2.330 55.146 1.00 0.00 ATOM 1204 O ASP A 154 62.530 5.525 52.196 1.00 0.00 ATOM 1205 C ASP A 154 62.722 5.259 53.385 1.00 0.00 ATOM 1206 N ALA A 155 63.784 4.575 53.806 1.00 0.00 ATOM 1207 CA ALA A 155 64.863 4.179 52.894 1.00 0.00 ATOM 1208 CB ALA A 155 65.976 3.481 53.660 1.00 0.00 ATOM 1209 O ALA A 155 65.107 3.251 50.688 1.00 0.00 ATOM 1210 C ALA A 155 64.463 3.244 51.742 1.00 0.00 ATOM 1211 N ALA A 156 63.393 2.470 51.938 1.00 0.00 ATOM 1212 CA ALA A 156 62.891 1.548 50.912 1.00 0.00 ATOM 1213 CB ALA A 156 62.163 0.387 51.572 1.00 0.00 ATOM 1214 O ALA A 156 61.305 1.642 49.084 1.00 0.00 ATOM 1215 C ALA A 156 61.924 2.275 49.940 1.00 0.00 ATOM 1216 N SER A 157 61.831 3.601 50.062 1.00 0.00 ATOM 1217 CA SER A 157 60.957 4.440 49.229 1.00 0.00 ATOM 1218 CB SER A 157 61.160 4.130 47.744 1.00 0.00 ATOM 1219 OG SER A 157 62.488 4.414 47.340 1.00 0.00 ATOM 1220 O SER A 157 58.607 4.688 48.737 1.00 0.00 ATOM 1221 C SER A 157 59.463 4.250 49.514 1.00 0.00 ATOM 1222 N ARG A 158 59.163 3.602 50.636 1.00 0.00 ATOM 1223 CA ARG A 158 57.785 3.360 51.045 1.00 0.00 ATOM 1224 CB ARG A 158 57.823 2.399 52.191 1.00 0.00 ATOM 1225 CG ARG A 158 57.863 0.966 51.640 1.00 0.00 ATOM 1226 CD ARG A 158 57.983 -0.065 52.787 1.00 0.00 ATOM 1227 NE ARG A 158 59.360 -0.207 53.228 1.00 0.00 ATOM 1228 CZ ARG A 158 59.760 -0.546 54.460 1.00 0.00 ATOM 1229 NH1 ARG A 158 58.939 -0.711 55.495 1.00 0.00 ATOM 1230 NH2 ARG A 158 61.096 -0.666 54.660 1.00 0.00 ATOM 1231 O ARG A 158 57.958 5.056 52.722 1.00 0.00 ATOM 1232 C ARG A 158 57.274 4.566 51.829 1.00 0.00 ATOM 1233 N PRO A 159 56.078 5.082 51.483 1.00 0.00 ATOM 1234 CA PRO A 159 55.524 6.238 52.199 1.00 0.00 ATOM 1235 CB PRO A 159 54.212 6.531 51.469 1.00 0.00 ATOM 1236 CG PRO A 159 54.415 5.978 50.099 1.00 0.00 ATOM 1237 CD PRO A 159 55.225 4.723 50.272 1.00 0.00 ATOM 1238 O PRO A 159 54.866 4.778 53.990 1.00 0.00 ATOM 1239 C PRO A 159 55.280 5.895 53.669 1.00 0.00 ATOM 1240 N TYR A 160 55.568 6.840 54.559 1.00 0.00 ATOM 1241 CA TYR A 160 55.355 6.645 55.991 1.00 0.00 ATOM 1242 CB TYR A 160 55.763 7.751 56.861 1.00 0.00 ATOM 1243 CG TYR A 160 57.277 7.712 57.002 1.00 0.00 ATOM 1244 CD1 TYR A 160 57.896 6.651 57.677 1.00 0.00 ATOM 1245 CD2 TYR A 160 58.074 8.695 56.442 1.00 0.00 ATOM 1246 CE1 TYR A 160 59.274 6.575 57.814 1.00 0.00 ATOM 1247 CE2 TYR A 160 59.453 8.614 56.591 1.00 0.00 ATOM 1248 CZ TYR A 160 60.040 7.581 57.280 1.00 0.00 ATOM 1249 OH TYR A 160 61.400 7.563 57.345 1.00 0.00 ATOM 1250 O TYR A 160 53.432 5.709 57.102 1.00 0.00 ATOM 1251 C TYR A 160 53.856 6.533 56.287 1.00 0.00 ATOM 1252 N ALA A 161 53.063 7.345 55.592 1.00 0.00 ATOM 1253 CA ALA A 161 51.610 7.344 55.745 1.00 0.00 ATOM 1254 CB ALA A 161 51.023 8.652 55.237 1.00 0.00 ATOM 1255 O ALA A 161 51.604 5.615 54.062 1.00 0.00 ATOM 1256 C ALA A 161 50.977 6.186 54.959 1.00 0.00 ATOM 1257 N ASP A 162 49.750 5.822 55.327 1.00 0.00 ATOM 1258 CA ASP A 162 49.013 4.757 54.642 1.00 0.00 ATOM 1259 CB ASP A 162 47.991 4.103 55.572 1.00 0.00 ATOM 1260 CG ASP A 162 47.337 2.881 54.931 1.00 0.00 ATOM 1261 OD1 ASP A 162 47.531 2.673 53.716 1.00 0.00 ATOM 1262 OD2 ASP A 162 46.629 2.133 55.640 1.00 0.00 ATOM 1263 O ASP A 162 47.249 6.004 53.625 1.00 0.00 ATOM 1264 C ASP A 162 48.246 5.308 53.451 1.00 0.00 ATOM 1265 N VAL A 163 48.747 5.049 52.249 1.00 0.00 ATOM 1266 CA VAL A 163 48.091 5.523 51.035 1.00 0.00 ATOM 1267 CB VAL A 163 49.130 5.924 49.973 1.00 0.00 ATOM 1268 CG1 VAL A 163 48.440 6.421 48.711 1.00 0.00 ATOM 1269 CG2 VAL A 163 50.028 7.034 50.497 1.00 0.00 ATOM 1270 O VAL A 163 47.734 3.398 49.986 1.00 0.00 ATOM 1271 C VAL A 163 47.227 4.371 50.538 1.00 0.00 ATOM 1272 N ARG A 164 45.921 4.489 50.757 1.00 0.00 ATOM 1273 CA ARG A 164 44.974 3.439 50.401 1.00 0.00 ATOM 1274 CB ARG A 164 44.152 3.016 51.621 1.00 0.00 ATOM 1275 CG ARG A 164 43.231 1.833 51.369 1.00 0.00 ATOM 1276 CD ARG A 164 42.519 1.408 52.643 1.00 0.00 ATOM 1277 NE ARG A 164 41.564 2.415 53.099 1.00 0.00 ATOM 1278 CZ ARG A 164 40.881 2.337 54.236 1.00 0.00 ATOM 1279 NH1 ARG A 164 40.034 3.302 54.569 1.00 0.00 ATOM 1280 NH2 ARG A 164 41.048 1.296 55.039 1.00 0.00 ATOM 1281 O ARG A 164 43.319 4.843 49.364 1.00 0.00 ATOM 1282 C ARG A 164 43.914 3.765 49.359 1.00 0.00 ATOM 1283 N VAL A 165 43.715 2.779 48.396 1.00 0.00 ATOM 1284 CA VAL A 165 42.644 2.984 47.430 1.00 0.00 ATOM 1285 CB VAL A 165 42.892 2.049 46.232 1.00 0.00 ATOM 1286 CG1 VAL A 165 41.806 2.230 45.182 1.00 0.00 ATOM 1287 CG2 VAL A 165 44.237 2.350 45.590 1.00 0.00 ATOM 1288 O VAL A 165 40.950 1.473 48.265 1.00 0.00 ATOM 1289 C VAL A 165 41.308 2.647 48.112 1.00 0.00 ATOM 1290 N ILE A 166 40.623 3.685 48.587 1.00 0.00 ATOM 1291 CA ILE A 166 39.339 3.555 49.277 1.00 0.00 ATOM 1292 CB ILE A 166 38.766 4.916 49.780 1.00 0.00 ATOM 1293 CG1 ILE A 166 37.457 4.697 50.530 1.00 0.00 ATOM 1294 CG2 ILE A 166 38.471 5.876 48.638 1.00 0.00 ATOM 1295 CD1 ILE A 166 37.584 3.824 51.703 1.00 0.00 ATOM 1296 O ILE A 166 37.522 2.068 48.784 1.00 0.00 ATOM 1297 C ILE A 166 38.263 2.961 48.374 1.00 0.00 ATOM 1298 N ASP A 167 38.243 3.584 47.103 1.00 0.00 ATOM 1299 CA ASP A 167 37.244 3.092 46.152 1.00 0.00 ATOM 1300 CB ASP A 167 36.023 4.010 46.072 1.00 0.00 ATOM 1301 CG ASP A 167 35.187 3.981 47.336 1.00 0.00 ATOM 1302 OD1 ASP A 167 34.660 2.902 47.675 1.00 0.00 ATOM 1303 OD2 ASP A 167 35.060 5.039 47.988 1.00 0.00 ATOM 1304 O ASP A 167 38.849 3.824 44.517 1.00 0.00 ATOM 1305 C ASP A 167 37.916 3.067 44.786 1.00 0.00 ATOM 1306 N CYS A 168 37.384 2.232 43.905 1.00 0.00 ATOM 1307 CA CYS A 168 37.904 2.080 42.555 1.00 0.00 ATOM 1308 CB CYS A 168 38.961 1.045 42.588 1.00 0.00 ATOM 1309 SG CYS A 168 39.871 0.924 41.048 1.00 0.00 ATOM 1310 O CYS A 168 35.989 0.699 42.155 1.00 0.00 ATOM 1311 C CYS A 168 36.850 1.429 41.678 1.00 0.00 ATOM 1312 N GLY A 169 36.837 1.803 40.413 1.00 0.00 ATOM 1313 CA GLY A 169 35.862 1.238 39.511 1.00 0.00 ATOM 1314 O GLY A 169 36.895 2.661 37.894 1.00 0.00 ATOM 1315 C GLY A 169 35.925 1.951 38.186 1.00 0.00 ATOM 1316 N VAL A 170 34.801 1.780 37.406 1.00 0.00 ATOM 1317 CA VAL A 170 34.804 2.421 36.106 1.00 0.00 ATOM 1318 CB VAL A 170 34.476 1.423 34.980 1.00 0.00 ATOM 1319 CG1 VAL A 170 34.392 2.139 33.641 1.00 0.00 ATOM 1320 CG2 VAL A 170 35.551 0.352 34.885 1.00 0.00 ATOM 1321 O VAL A 170 32.798 3.594 36.755 1.00 0.00 ATOM 1322 C VAL A 170 33.787 3.557 36.016 1.00 0.00 ATOM 1323 N LEU A 171 34.157 4.513 35.054 1.00 0.00 ATOM 1324 CA LEU A 171 33.201 5.629 34.921 1.00 0.00 ATOM 1325 CB LEU A 171 33.980 6.948 34.799 1.00 0.00 ATOM 1326 CG LEU A 171 34.275 7.702 36.072 1.00 0.00 ATOM 1327 CD1 LEU A 171 35.143 8.909 35.732 1.00 0.00 ATOM 1328 CD2 LEU A 171 32.963 8.118 36.754 1.00 0.00 ATOM 1329 O LEU A 171 31.092 5.787 33.870 1.00 0.00 ATOM 1330 C LEU A 171 32.276 5.420 33.744 1.00 0.00 ATOM 1331 N ALA A 172 32.764 4.838 32.665 1.00 0.00 ATOM 1332 CA ALA A 172 31.919 4.651 31.461 1.00 0.00 ATOM 1333 CB ALA A 172 32.038 5.880 30.552 1.00 0.00 ATOM 1334 O ALA A 172 33.554 3.014 30.931 1.00 0.00 ATOM 1335 C ALA A 172 32.379 3.413 30.680 1.00 0.00 ENDMDL EXPDTA 2he9A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2he9A ATOM 1 N SER A 1 37.021 5.513 24.365 1.00 0.00 ATOM 2 CA SER A 1 38.126 5.209 25.316 1.00 0.00 ATOM 3 CB SER A 1 39.195 6.325 25.247 1.00 0.00 ATOM 4 OG SER A 1 40.211 6.194 26.215 1.00 0.00 ATOM 5 O SER A 1 36.985 5.838 27.381 1.00 0.00 ATOM 6 C SER A 1 37.571 4.954 26.760 1.00 0.00 ATOM 7 N PRO A 2 37.741 3.724 27.282 1.00 0.00 ATOM 8 CA PRO A 2 37.273 3.436 28.647 1.00 0.00 ATOM 9 CB PRO A 2 37.568 1.953 28.836 1.00 0.00 ATOM 10 CG PRO A 2 38.420 1.535 27.683 1.00 0.00 ATOM 11 CD PRO A 2 38.350 2.553 26.615 1.00 0.00 ATOM 12 O PRO A 2 39.123 4.721 29.530 1.00 0.00 ATOM 13 C PRO A 2 37.975 4.259 29.726 1.00 0.00 ATOM 14 N GLN A 3 37.263 4.459 30.837 1.00 0.00 ATOM 15 CA GLN A 3 37.703 5.284 31.907 1.00 0.00 ATOM 16 CB GLN A 3 36.975 6.636 31.896 1.00 0.00 ATOM 17 CG GLN A 3 37.448 7.621 30.852 1.00 0.00 ATOM 18 CD GLN A 3 36.913 9.061 31.058 1.00 0.00 ATOM 19 OE1 GLN A 3 36.621 9.489 32.181 1.00 0.00 ATOM 20 NE2 GLN A 3 36.822 9.806 29.978 1.00 0.00 ATOM 21 O GLN A 3 36.532 3.617 33.201 1.00 0.00 ATOM 22 C GLN A 3 37.406 4.481 33.187 1.00 0.00 ATOM 23 N CYS A 4 38.184 4.747 34.232 1.00 0.00 ATOM 24 CA CYS A 4 38.067 4.068 35.510 1.00 0.00 ATOM 25 CB CYS A 4 38.770 2.697 35.499 1.00 0.00 ATOM 26 SG CYS A 4 40.444 2.712 34.912 1.00 0.00 ATOM 27 O CYS A 4 39.323 5.978 36.130 1.00 0.00 ATOM 28 C CYS A 4 38.681 5.013 36.527 1.00 0.00 ATOM 29 N HIS A 5 38.408 4.802 37.816 1.00 0.00 ATOM 30 CA HIS A 5 38.869 5.740 38.834 1.00 0.00 ATOM 31 CB HIS A 5 37.735 6.698 39.251 1.00 0.00 ATOM 32 CG HIS A 5 36.701 6.064 40.119 1.00 0.00 ATOM 33 CD2 HIS A 5 35.626 5.288 39.811 1.00 0.00 ATOM 34 ND1 HIS A 5 36.715 6.165 41.489 1.00 0.00 ATOM 35 CE1 HIS A 5 35.689 5.498 41.990 1.00 0.00 ATOM 36 NE2 HIS A 5 35.024 4.942 40.997 1.00 0.00 ATOM 37 O HIS A 5 38.956 3.882 40.337 1.00 0.00 ATOM 38 C HIS A 5 39.367 5.024 40.060 1.00 0.00 ATOM 39 N PHE A 6 40.244 5.723 40.782 1.00 0.00 ATOM 40 CA PHE A 6 40.624 5.421 42.185 1.00 0.00 ATOM 41 CB PHE A 6 42.145 5.340 42.352 1.00 0.00 ATOM 42 CG PHE A 6 42.811 4.162 41.648 1.00 0.00 ATOM 43 CD1 PHE A 6 42.057 3.119 41.066 1.00 0.00 ATOM 44 CD2 PHE A 6 44.231 4.116 41.551 1.00 0.00 ATOM 45 CE1 PHE A 6 42.694 2.024 40.443 1.00 0.00 ATOM 46 CE2 PHE A 6 44.866 3.033 40.920 1.00 0.00 ATOM 47 CZ PHE A 6 44.113 1.988 40.381 1.00 0.00 ATOM 48 O PHE A 6 40.407 7.785 42.654 1.00 0.00 ATOM 49 C PHE A 6 40.212 6.619 43.047 1.00 0.00 ATOM 50 N ASP A 7 39.689 6.321 44.225 1.00 0.00 ATOM 51 CA ASP A 7 39.446 7.303 45.278 1.00 0.00 ATOM 52 CB ASP A 7 38.051 7.139 45.877 1.00 0.00 ATOM 53 CG ASP A 7 36.961 7.549 44.906 1.00 0.00 ATOM 54 OD1 ASP A 7 37.228 8.410 44.058 1.00 0.00 ATOM 55 OD2 ASP A 7 35.844 7.023 44.977 1.00 0.00 ATOM 56 O ASP A 7 40.626 5.827 46.753 1.00 0.00 ATOM 57 C ASP A 7 40.479 6.998 46.341 1.00 0.00 ATOM 58 N ILE A 8 41.201 8.042 46.758 1.00 0.00 ATOM 59 CA ILE A 8 42.397 7.863 47.562 1.00 0.00 ATOM 60 CB ILE A 8 43.594 8.571 46.895 1.00 0.00 ATOM 61 CG1 ILE A 8 43.830 8.010 45.468 1.00 0.00 ATOM 62 CG2 ILE A 8 44.899 8.535 47.822 1.00 0.00 ATOM 63 CD1 ILE A 8 44.203 6.530 45.393 1.00 0.00 ATOM 64 O ILE A 8 41.587 9.495 49.143 1.00 0.00 ATOM 65 C ILE A 8 42.178 8.415 48.988 1.00 0.00 ATOM 66 N GLU A 9 42.661 7.703 50.016 1.00 0.00 ATOM 67 CA GLU A 9 42.808 8.335 51.355 1.00 0.00 ATOM 68 CB GLU A 9 41.909 7.685 52.430 1.00 0.00 ATOM 69 CG GLU A 9 40.430 7.809 52.143 1.00 0.00 ATOM 70 CD GLU A 9 39.533 7.203 53.230 1.00 0.00 ATOM 71 OE1 GLU A 9 40.033 6.552 54.186 1.00 0.00 ATOM 72 OE2 GLU A 9 38.301 7.370 53.104 1.00 0.00 ATOM 73 O GLU A 9 44.845 7.131 51.558 1.00 0.00 ATOM 74 C GLU A 9 44.246 8.201 51.776 1.00 0.00 ATOM 75 N ILE A 10 44.804 9.259 52.390 1.00 0.00 ATOM 76 CA ILE A 10 46.137 9.174 52.989 1.00 0.00 ATOM 77 CB ILE A 10 47.045 10.303 52.480 1.00 0.00 ATOM 78 CG1 ILE A 10 47.366 10.115 50.989 1.00 0.00 ATOM 79 CG2 ILE A 10 48.355 10.350 53.268 1.00 0.00 ATOM 80 CD1 ILE A 10 48.080 11.406 50.318 1.00 0.00 ATOM 81 O ILE A 10 45.346 10.233 54.992 1.00 0.00 ATOM 82 C ILE A 10 45.920 9.263 54.514 1.00 0.00 ATOM 83 N ASN A 11 46.306 8.225 55.254 1.00 0.00 ATOM 84 CA ASN A 11 46.081 8.171 56.703 1.00 0.00 ATOM 85 CB ASN A 11 47.018 9.147 57.428 1.00 0.00 ATOM 86 CG ASN A 11 48.443 8.618 57.501 1.00 0.00 ATOM 87 ND2 ASN A 11 49.340 9.354 58.172 1.00 0.00 ATOM 88 OD1 ASN A 11 48.731 7.552 56.966 1.00 0.00 ATOM 89 O ASN A 11 44.235 9.220 57.885 1.00 0.00 ATOM 90 C ASN A 11 44.598 8.444 56.982 1.00 0.00 ATOM 91 N ARG A 12 43.758 7.802 56.158 1.00 0.00 ATOM 92 CA ARG A 12 42.314 7.870 56.307 1.00 0.00 ATOM 93 CB ARG A 12 41.870 7.444 57.702 1.00 0.00 ATOM 94 CG ARG A 12 42.446 6.136 58.135 1.00 0.00 ATOM 95 CD ARG A 12 41.780 5.653 59.417 1.00 0.00 ATOM 96 NE ARG A 12 42.495 4.498 59.974 1.00 0.00 ATOM 97 CZ ARG A 12 41.979 3.275 60.117 1.00 0.00 ATOM 98 NH1 ARG A 12 40.709 2.987 59.748 1.00 0.00 ATOM 99 NH2 ARG A 12 42.737 2.329 60.668 1.00 0.00 ATOM 100 O ARG A 12 40.536 9.456 56.198 1.00 0.00 ATOM 101 C ARG A 12 41.722 9.258 55.997 1.00 0.00 ATOM 102 N GLU A 13 42.527 10.204 55.521 1.00 0.00 ATOM 103 CA GLU A 13 41.963 11.469 55.042 1.00 0.00 ATOM 104 CB GLU A 13 42.928 12.634 55.261 1.00 0.00 ATOM 105 CG GLU A 13 42.243 14.018 54.917 1.00 0.00 ATOM 106 CD GLU A 13 43.210 15.205 54.593 1.00 0.00 ATOM 107 OE1 GLU A 13 44.468 15.057 54.734 1.00 0.00 ATOM 108 OE2 GLU A 13 42.689 16.298 54.188 1.00 0.00 ATOM 109 O GLU A 13 42.569 11.076 52.727 1.00 0.00 ATOM 110 C GLU A 13 41.644 11.354 53.533 1.00 0.00 ATOM 111 N PRO A 14 40.366 11.567 53.137 1.00 0.00 ATOM 112 CA PRO A 14 40.020 11.552 51.724 1.00 0.00 ATOM 113 CB PRO A 14 38.494 11.788 51.710 1.00 0.00 ATOM 114 CG PRO A 14 38.041 11.680 53.090 1.00 0.00 ATOM 115 CD PRO A 14 39.197 11.879 53.989 1.00 0.00 ATOM 116 O PRO A 14 40.642 13.861 51.425 1.00 0.00 ATOM 117 C PRO A 14 40.753 12.700 51.012 1.00 0.00 ATOM 118 N VAL A 15 41.496 12.381 49.956 1.00 0.00 ATOM 119 CA VAL A 15 42.289 13.409 49.258 1.00 0.00 ATOM 120 CB VAL A 15 43.811 13.128 49.355 1.00 0.00 ATOM 121 CG1 VAL A 15 44.347 13.363 50.813 1.00 0.00 ATOM 122 CG2 VAL A 15 44.114 11.736 48.855 1.00 0.00 ATOM 123 O VAL A 15 42.359 14.602 47.117 1.00 0.00 ATOM 124 C VAL A 15 41.894 13.632 47.784 1.00 0.00 ATOM 125 N GLY A 16 41.034 12.764 47.273 1.00 0.00 ATOM 126 CA GLY A 16 40.468 12.988 45.944 1.00 0.00 ATOM 127 O GLY A 16 40.883 10.659 45.509 1.00 0.00 ATOM 128 C GLY A 16 40.449 11.739 45.084 1.00 0.00 ATOM 129 N ARG A 17 39.959 11.934 43.869 1.00 0.00 ATOM 130 CA ARG A 17 39.778 10.913 42.861 1.00 0.00 ATOM 131 CB ARG A 17 38.328 11.006 42.362 1.00 0.00 ATOM 132 CG ARG A 17 38.012 10.229 41.110 1.00 0.00 ATOM 133 CD ARG A 17 36.522 10.181 40.877 1.00 0.00 ATOM 134 NE ARG A 17 35.875 9.464 41.985 1.00 0.00 ATOM 135 CZ ARG A 17 34.642 8.945 41.937 1.00 0.00 ATOM 136 NH1 ARG A 17 33.903 9.055 40.828 1.00 0.00 ATOM 137 NH2 ARG A 17 34.143 8.290 42.985 1.00 0.00 ATOM 138 O ARG A 17 40.958 12.210 41.144 1.00 0.00 ATOM 139 C ARG A 17 40.766 11.092 41.680 1.00 0.00 ATOM 140 N ILE A 18 41.411 9.992 41.312 1.00 0.00 ATOM 141 CA ILE A 18 42.289 9.938 40.144 1.00 0.00 ATOM 142 CB ILE A 18 43.504 9.028 40.393 1.00 0.00 ATOM 143 CG1 ILE A 18 44.376 9.659 41.499 1.00 0.00 ATOM 144 CG2 ILE A 18 44.309 8.767 39.091 1.00 0.00 ATOM 145 CD1 ILE A 18 45.475 8.708 42.081 1.00 0.00 ATOM 146 O ILE A 18 40.867 8.226 39.254 1.00 0.00 ATOM 147 C ILE A 18 41.430 9.307 39.070 1.00 0.00 ATOM 148 N MET A 19 41.292 10.012 37.961 1.00 0.00 ATOM 149 CA MET A 19 40.538 9.472 36.851 1.00 0.00 ATOM 150 CB MET A 19 39.592 10.576 36.364 1.00 0.00 ATOM 151 CG MET A 19 38.788 10.110 35.232 1.00 0.00 ATOM 152 SD MET A 19 37.536 9.007 35.901 1.00 0.00 ATOM 153 CE MET A 19 36.569 10.175 36.894 1.00 0.00 ATOM 154 O MET A 19 42.328 9.843 35.324 1.00 0.00 ATOM 155 C MET A 19 41.486 9.049 35.721 1.00 0.00 ATOM 156 N PHE A 20 41.325 7.828 35.183 1.00 0.00 ATOM 157 CA PHE A 20 42.205 7.334 34.116 1.00 0.00 ATOM 158 CB PHE A 20 42.754 5.933 34.447 1.00 0.00 ATOM 159 CG PHE A 20 43.516 5.843 35.718 1.00 0.00 ATOM 160 CD1 PHE A 20 44.839 6.289 35.784 1.00 0.00 ATOM 161 CD2 PHE A 20 42.942 5.233 36.842 1.00 0.00 ATOM 162 CE1 PHE A 20 45.594 6.132 36.921 1.00 0.00 ATOM 163 CE2 PHE A 20 43.664 5.086 37.990 1.00 0.00 ATOM 164 CZ PHE A 20 45.011 5.561 38.062 1.00 0.00 ATOM 165 O PHE A 20 40.310 6.713 32.749 1.00 0.00 ATOM 166 C PHE A 20 41.465 7.175 32.782 1.00 0.00 ATOM 167 N GLN A 21 42.135 7.564 31.695 1.00 0.00 ATOM 168 CA GLN A 21 41.692 7.227 30.362 1.00 0.00 ATOM 169 CB GLN A 21 41.890 8.414 29.436 1.00 0.00 ATOM 170 CG GLN A 21 41.805 8.061 27.960 1.00 0.00 ATOM 171 CD GLN A 21 41.847 9.270 27.030 1.00 0.00 ATOM 172 OE1 GLN A 21 42.059 10.420 27.459 1.00 0.00 ATOM 173 NE2 GLN A 21 41.624 9.018 25.741 1.00 0.00 ATOM 174 O GLN A 21 43.805 6.228 29.944 1.00 0.00 ATOM 175 C GLN A 21 42.589 6.095 29.901 1.00 0.00 ATOM 176 N LEU A 22 41.992 5.012 29.418 1.00 0.00 ATOM 177 CA LEU A 22 42.766 3.825 28.960 1.00 0.00 ATOM 178 CB LEU A 22 42.153 2.578 29.532 1.00 0.00 ATOM 179 CG LEU A 22 42.059 2.450 31.063 1.00 0.00 ATOM 180 CD1 LEU A 22 42.008 0.997 31.425 1.00 0.00 ATOM 181 CD2 LEU A 22 43.289 3.052 31.705 1.00 0.00 ATOM 182 O LEU A 22 41.753 4.094 26.809 1.00 0.00 ATOM 183 C LEU A 22 42.746 3.753 27.439 1.00 0.00 ATOM 184 N PHE A 23 43.847 3.295 26.861 1.00 0.00 ATOM 185 CA PHE A 23 44.004 3.307 25.432 1.00 0.00 ATOM 186 CB PHE A 23 45.365 3.894 25.081 1.00 0.00 ATOM 187 CG PHE A 23 45.534 5.335 25.479 1.00 0.00 ATOM 188 CD1 PHE A 23 44.595 6.306 25.096 1.00 0.00 ATOM 189 CD2 PHE A 23 46.623 5.735 26.220 1.00 0.00 ATOM 190 CE1 PHE A 23 44.788 7.665 25.408 1.00 0.00 ATOM 191 CE2 PHE A 23 46.807 7.112 26.544 1.00 0.00 ATOM 192 CZ PHE A 23 45.881 8.061 26.139 1.00 0.00 ATOM 193 O PHE A 23 44.892 1.171 24.774 1.00 0.00 ATOM 194 C PHE A 23 43.881 1.871 25.005 1.00 0.00 ATOM 195 N SER A 24 42.621 1.445 24.913 1.00 0.00 ATOM 196 CA SER A 24 42.230 0.043 24.693 1.00 0.00 ATOM 197 CB SER A 24 40.861 -0.229 25.325 1.00 0.00 ATOM 198 OG SER A 24 39.890 0.652 24.775 1.00 0.00 ATOM 199 O SER A 24 42.013 -1.480 22.846 1.00 0.00 ATOM 200 C SER A 24 42.210 -0.315 23.213 1.00 0.00 ATOM 201 N ASP A 25 42.415 0.690 22.366 1.00 0.00 ATOM 202 CA ASP A 25 42.698 0.433 20.956 1.00 0.00 ATOM 203 CB ASP A 25 42.643 1.717 20.130 1.00 0.00 ATOM 204 CG ASP A 25 43.412 2.898 20.762 1.00 0.00 ATOM 205 OD1 ASP A 25 44.177 2.743 21.736 1.00 0.00 ATOM 206 OD2 ASP A 25 43.236 4.018 20.271 1.00 0.00 ATOM 207 O ASP A 25 44.198 -1.281 20.140 1.00 0.00 ATOM 208 C ASP A 25 44.061 -0.233 20.776 1.00 0.00 ATOM 209 N ILE A 26 45.067 0.403 21.352 1.00 0.00 ATOM 210 CA ILE A 26 46.445 0.037 21.124 1.00 0.00 ATOM 211 CB ILE A 26 47.309 1.291 21.325 1.00 0.00 ATOM 212 CG1 ILE A 26 48.771 1.066 20.955 1.00 0.00 ATOM 213 CG2 ILE A 26 47.192 1.803 22.701 1.00 0.00 ATOM 214 CD1 ILE A 26 49.357 2.310 20.272 1.00 0.00 ATOM 215 O ILE A 26 47.617 -1.994 21.631 1.00 0.00 ATOM 216 C ILE A 26 46.842 -1.132 22.025 1.00 0.00 ATOM 217 N CYS A 27 46.306 -1.149 23.245 1.00 0.00 ATOM 218 CA CYS A 27 46.652 -2.156 24.249 1.00 0.00 ATOM 219 CB CYS A 27 47.444 -1.490 25.381 1.00 0.00 ATOM 220 SG CYS A 27 49.169 -1.093 24.895 1.00 0.00 ATOM 221 O CYS A 27 45.071 -2.587 25.988 1.00 0.00 ATOM 222 C CYS A 27 45.383 -2.783 24.823 1.00 0.00 ATOM 223 N PRO A 28 44.647 -3.557 24.012 1.00 0.00 ATOM 224 CA PRO A 28 43.382 -4.073 24.544 1.00 0.00 ATOM 225 CB PRO A 28 42.717 -4.782 23.345 1.00 0.00 ATOM 226 CG PRO A 28 43.828 -4.985 22.325 1.00 0.00 ATOM 227 CD PRO A 28 44.926 -4.003 22.638 1.00 0.00 ATOM 228 O PRO A 28 42.819 -4.991 26.658 1.00 0.00 ATOM 229 C PRO A 28 43.575 -5.045 25.710 1.00 0.00 ATOM 230 N LYS A 29 44.552 -5.936 25.639 1.00 0.00 ATOM 231 CA LYS A 29 44.715 -6.938 26.693 1.00 0.00 ATOM 232 CB LYS A 29 45.747 -8.010 26.252 1.00 0.00 ATOM 233 CG LYS A 29 45.818 -9.186 27.236 1.00 0.00 ATOM 234 CD LYS A 29 46.800 -10.228 26.793 1.00 0.00 ATOM 235 CE LYS A 29 46.608 -11.539 27.522 1.00 0.00 ATOM 236 NZ LYS A 29 47.630 -12.504 27.018 1.00 0.00 ATOM 237 O LYS A 29 44.615 -6.567 29.088 1.00 0.00 ATOM 238 C LYS A 29 45.134 -6.265 28.007 1.00 0.00 ATOM 239 N THR A 30 46.065 -5.331 27.911 1.00 0.00 ATOM 240 CA THR A 30 46.553 -4.605 29.101 1.00 0.00 ATOM 241 CB THR A 30 47.802 -3.758 28.752 1.00 0.00 ATOM 242 CG2 THR A 30 48.411 -3.099 30.015 1.00 0.00 ATOM 243 OG1 THR A 30 48.803 -4.585 28.114 1.00 0.00 ATOM 244 O THR A 30 45.307 -3.788 30.979 1.00 0.00 ATOM 245 C THR A 30 45.441 -3.770 29.764 1.00 0.00 ATOM 246 N CYS A 31 44.648 -3.052 28.971 1.00 0.00 ATOM 247 CA CYS A 31 43.538 -2.240 29.503 1.00 0.00 ATOM 248 CB CYS A 31 42.943 -1.373 28.405 1.00 0.00 ATOM 249 SG CYS A 31 44.053 -0.072 27.793 1.00 0.00 ATOM 250 O CYS A 31 41.848 -2.781 31.071 1.00 0.00 ATOM 251 C CYS A 31 42.434 -3.125 30.073 1.00 0.00 ATOM 252 N LYS A 32 42.172 -4.285 29.468 1.00 0.00 ATOM 253 CA LYS A 32 41.125 -5.161 30.012 1.00 0.00 ATOM 254 CB LYS A 32 40.856 -6.349 29.098 1.00 0.00 ATOM 255 CG LYS A 32 39.706 -7.242 29.643 1.00 0.00 ATOM 256 CD LYS A 32 39.607 -8.528 28.855 1.00 0.00 ATOM 257 CE LYS A 32 38.502 -9.451 29.432 1.00 0.00 ATOM 258 NZ LYS A 32 38.614 -10.790 28.789 1.00 0.00 ATOM 259 O LYS A 32 40.654 -5.628 32.322 1.00 0.00 ATOM 260 C LYS A 32 41.487 -5.647 31.415 1.00 0.00 ATOM 261 N ASN A 33 42.749 -6.056 31.580 1.00 0.00 ATOM 262 CA ASN A 33 43.298 -6.412 32.882 1.00 0.00 ATOM 263 CB ASN A 33 44.779 -6.793 32.727 1.00 0.00 ATOM 264 CG ASN A 33 45.424 -7.228 34.023 1.00 0.00 ATOM 265 ND2 ASN A 33 46.452 -6.494 34.444 1.00 0.00 ATOM 266 OD1 ASN A 33 45.003 -8.212 34.648 1.00 0.00 ATOM 267 O ASN A 33 42.500 -5.497 34.966 1.00 0.00 ATOM 268 C ASN A 33 43.085 -5.268 33.884 1.00 0.00 ATOM 269 N PHE A 34 43.490 -4.030 33.519 1.00 0.00 ATOM 270 CA PHE A 34 43.445 -2.920 34.488 1.00 0.00 ATOM 271 CB PHE A 34 44.141 -1.650 33.938 1.00 0.00 ATOM 272 CG PHE A 34 44.362 -0.588 34.975 1.00 0.00 ATOM 273 CD1 PHE A 34 45.529 -0.586 35.750 1.00 0.00 ATOM 274 CD2 PHE A 34 43.394 0.418 35.196 1.00 0.00 ATOM 275 CE1 PHE A 34 45.766 0.421 36.707 1.00 0.00 ATOM 276 CE2 PHE A 34 43.631 1.424 36.166 1.00 0.00 ATOM 277 CZ PHE A 34 44.837 1.419 36.896 1.00 0.00 ATOM 278 O PHE A 34 41.623 -2.455 36.020 1.00 0.00 ATOM 279 C PHE A 34 41.991 -2.626 34.827 1.00 0.00 ATOM 280 N LEU A 35 41.148 -2.617 33.803 1.00 0.00 ATOM 281 CA LEU A 35 39.717 -2.386 34.045 1.00 0.00 ATOM 282 CB LEU A 35 38.931 -2.311 32.742 1.00 0.00 ATOM 283 CG LEU A 35 39.144 -1.104 31.869 1.00 0.00 ATOM 284 CD1 LEU A 35 38.586 -1.398 30.469 1.00 0.00 ATOM 285 CD2 LEU A 35 38.423 0.136 32.498 1.00 0.00 ATOM 286 O LEU A 35 38.359 -3.044 35.868 1.00 0.00 ATOM 287 C LEU A 35 39.087 -3.415 34.969 1.00 0.00 ATOM 288 N CYS A 36 39.377 -4.698 34.738 1.00 0.00 ATOM 289 CA CYS A 36 38.814 -5.766 35.535 1.00 0.00 ATOM 290 CB CYS A 36 39.137 -7.139 34.918 1.00 0.00 ATOM 291 SG CYS A 36 38.074 -7.527 33.512 1.00 0.00 ATOM 292 O CYS A 36 38.617 -6.038 37.910 1.00 0.00 ATOM 293 C CYS A 36 39.329 -5.686 36.972 1.00 0.00 ATOM 294 N LEU A 37 40.569 -5.226 37.140 1.00 0.00 ATOM 295 CA LEU A 37 41.090 -4.989 38.505 1.00 0.00 ATOM 296 CB LEU A 37 42.608 -4.826 38.484 1.00 0.00 ATOM 297 CG LEU A 37 43.300 -6.170 38.132 1.00 0.00 ATOM 298 CD1 LEU A 37 44.733 -5.903 37.580 1.00 0.00 ATOM 299 CD2 LEU A 37 43.348 -7.118 39.314 1.00 0.00 ATOM 300 O LEU A 37 40.407 -3.732 40.456 1.00 0.00 ATOM 301 C LEU A 37 40.426 -3.824 39.201 1.00 0.00 ATOM 302 N CYS A 38 39.850 -2.912 38.410 1.00 0.00 ATOM 303 CA CYS A 38 39.109 -1.806 39.042 1.00 0.00 ATOM 304 CB CYS A 38 39.006 -0.600 38.099 1.00 0.00 ATOM 305 SG CYS A 38 40.534 0.353 37.844 1.00 0.00 ATOM 306 O CYS A 38 37.215 -1.835 40.495 1.00 0.00 ATOM 307 C CYS A 38 37.704 -2.263 39.451 1.00 0.00 ATOM 308 N SER A 39 37.055 -3.127 38.641 1.00 0.00 ATOM 309 CA SER A 39 35.707 -3.595 39.008 1.00 0.00 ATOM 310 CB SER A 39 34.964 -4.064 37.787 1.00 0.00 ATOM 311 OG SER A 39 35.538 -5.285 37.370 1.00 0.00 ATOM 312 O SER A 39 34.848 -5.026 40.740 1.00 0.00 ATOM 313 C SER A 39 35.788 -4.771 39.975 1.00 0.00 ATOM 314 N GLY A 40 36.879 -5.525 39.914 1.00 0.00 ATOM 315 CA GLY A 40 37.030 -6.706 40.777 1.00 0.00 ATOM 316 O GLY A 40 36.039 -8.882 40.966 1.00 0.00 ATOM 317 C GLY A 40 36.178 -7.864 40.283 1.00 0.00 ATOM 318 N GLU A 41 35.628 -7.713 39.068 1.00 0.00 ATOM 319 CA GLU A 41 34.644 -8.650 38.531 1.00 0.00 ATOM 320 CB GLU A 41 34.078 -8.108 37.208 1.00 0.00 ATOM 321 CG GLU A 41 35.126 -8.062 36.100 1.00 0.00 ATOM 322 CD GLU A 41 34.667 -7.239 34.910 1.00 0.00 ATOM 323 OE1 GLU A 41 34.610 -5.985 34.991 1.00 0.00 ATOM 324 OE2 GLU A 41 34.384 -7.876 33.872 1.00 0.00 ATOM 325 O GLU A 41 34.388 -11.000 38.176 1.00 0.00 ATOM 326 C GLU A 41 35.178 -10.075 38.294 1.00 0.00 ATOM 327 N LYS A 42 36.493 -10.257 38.207 1.00 0.00 ATOM 328 CA LYS A 42 37.050 -11.584 37.880 1.00 0.00 ATOM 329 CB LYS A 42 38.340 -11.475 37.048 1.00 0.00 ATOM 330 CG LYS A 42 38.123 -10.897 35.651 1.00 0.00 ATOM 331 CD LYS A 42 37.004 -11.625 34.922 1.00 0.00 ATOM 332 CE LYS A 42 37.080 -11.398 33.401 1.00 0.00 ATOM 333 NZ LYS A 42 35.876 -11.870 32.643 1.00 0.00 ATOM 334 O LYS A 42 37.652 -13.633 38.921 1.00 0.00 ATOM 335 C LYS A 42 37.270 -12.494 39.091 1.00 0.00 ATOM 336 N GLY A 43 37.066 -11.986 40.305 1.00 0.00 ATOM 337 CA GLY A 43 37.024 -12.863 41.482 1.00 0.00 ATOM 338 O GLY A 43 39.224 -12.203 42.076 1.00 0.00 ATOM 339 C GLY A 43 38.424 -13.117 42.027 1.00 0.00 ATOM 340 N LEU A 44 38.727 -14.359 42.416 1.00 0.00 ATOM 341 CA LEU A 44 40.003 -14.675 43.097 1.00 0.00 ATOM 342 CB LEU A 44 39.855 -15.898 44.047 1.00 0.00 ATOM 343 CG LEU A 44 38.973 -15.642 45.302 1.00 0.00 ATOM 344 CD1 LEU A 44 38.938 -16.836 46.208 1.00 0.00 ATOM 345 CD2 LEU A 44 39.425 -14.408 46.093 1.00 0.00 ATOM 346 O LEU A 44 40.905 -15.616 41.123 1.00 0.00 ATOM 347 C LEU A 44 41.123 -14.939 42.128 1.00 0.00 ATOM 348 N GLY A 45 42.311 -14.398 42.427 1.00 0.00 ATOM 349 CA GLY A 45 43.532 -14.641 41.631 1.00 0.00 ATOM 350 O GLY A 45 43.822 -16.817 42.587 1.00 0.00 ATOM 351 C GLY A 45 43.882 -16.116 41.568 1.00 0.00 ATOM 352 N LYS A 46 44.240 -16.600 40.377 1.00 0.00 ATOM 353 CA LYS A 46 44.537 -18.037 40.187 1.00 0.00 ATOM 354 CB LYS A 46 44.616 -18.368 38.688 1.00 0.00 ATOM 355 CG LYS A 46 43.262 -18.314 38.005 1.00 0.00 ATOM 356 CD LYS A 46 43.375 -18.518 36.529 1.00 0.00 ATOM 357 CE LYS A 46 41.953 -18.598 35.953 1.00 0.00 ATOM 358 NZ LYS A 46 41.986 -18.783 34.506 1.00 0.00 ATOM 359 O LYS A 46 45.904 -19.698 41.233 1.00 0.00 ATOM 360 C LYS A 46 45.810 -18.527 40.848 1.00 0.00 ATOM 361 N THR A 47 46.813 -17.666 40.931 1.00 0.00 ATOM 362 CA THR A 47 48.075 -18.081 41.553 1.00 0.00 ATOM 363 CB THR A 47 49.346 -17.692 40.728 1.00 0.00 ATOM 364 CG2 THR A 47 49.218 -18.206 39.278 1.00 0.00 ATOM 365 OG1 THR A 47 49.516 -16.256 40.742 1.00 0.00 ATOM 366 O THR A 47 48.909 -18.002 43.735 1.00 0.00 ATOM 367 C THR A 47 48.160 -17.502 42.921 1.00 0.00 ATOM 368 N THR A 48 47.425 -16.418 43.185 1.00 0.00 ATOM 369 CA THR A 48 47.544 -15.798 44.521 1.00 0.00 ATOM 370 CB THR A 48 47.712 -14.249 44.497 1.00 0.00 ATOM 371 CG2 THR A 48 48.944 -13.826 43.665 1.00 0.00 ATOM 372 OG1 THR A 48 46.514 -13.646 43.980 1.00 0.00 ATOM 373 O THR A 48 46.633 -16.131 46.688 1.00 0.00 ATOM 374 C THR A 48 46.418 -16.159 45.480 1.00 0.00 ATOM 375 N GLY A 49 45.233 -16.485 44.961 1.00 0.00 ATOM 376 CA GLY A 49 44.062 -16.752 45.826 1.00 0.00 ATOM 377 O GLY A 49 42.840 -15.541 47.519 1.00 0.00 ATOM 378 C GLY A 49 43.556 -15.479 46.519 1.00 0.00 ATOM 379 N LYS A 50 43.953 -14.311 46.020 1.00 0.00 ATOM 380 CA LYS A 50 43.451 -13.072 46.577 1.00 0.00 ATOM 381 CB LYS A 50 44.610 -12.118 46.927 1.00 0.00 ATOM 382 CG LYS A 50 45.695 -12.684 47.842 1.00 0.00 ATOM 383 CD LYS A 50 45.270 -12.686 49.299 1.00 0.00 ATOM 384 CE LYS A 50 46.481 -12.742 50.247 1.00 0.00 ATOM 385 NZ LYS A 50 47.045 -11.375 50.590 1.00 0.00 ATOM 386 O LYS A 50 42.767 -12.625 44.302 1.00 0.00 ATOM 387 C LYS A 50 42.550 -12.426 45.510 1.00 0.00 ATOM 388 N LYS A 51 41.579 -11.638 45.956 1.00 0.00 ATOM 389 CA LYS A 51 40.658 -10.945 45.067 1.00 0.00 ATOM 390 CB LYS A 51 39.691 -10.040 45.848 1.00 0.00 ATOM 391 CG LYS A 51 38.592 -9.468 44.933 1.00 0.00 ATOM 392 CD LYS A 51 37.361 -8.932 45.688 1.00 0.00 ATOM 393 CE LYS A 51 36.304 -8.377 44.725 1.00 0.00 ATOM 394 NZ LYS A 51 35.109 -7.862 45.462 1.00 0.00 ATOM 395 O LYS A 51 42.263 -9.302 44.404 1.00 0.00 ATOM 396 C LYS A 51 41.413 -10.105 44.039 1.00 0.00 ATOM 397 N LEU A 52 41.104 -10.328 42.763 1.00 0.00 ATOM 398 CA LEU A 52 41.660 -9.539 41.682 1.00 0.00 ATOM 399 CB LEU A 52 41.400 -10.248 40.341 1.00 0.00 ATOM 400 CG LEU A 52 42.182 -11.535 40.097 1.00 0.00 ATOM 401 CD1 LEU A 52 41.378 -12.390 39.120 1.00 0.00 ATOM 402 CD2 LEU A 52 43.610 -11.217 39.513 1.00 0.00 ATOM 403 O LEU A 52 40.111 -7.869 40.887 1.00 0.00 ATOM 404 C LEU A 52 41.011 -8.158 41.682 1.00 0.00 ATOM 405 N CYS A 53 41.444 -7.297 42.579 1.00 0.00 ATOM 406 CA CYS A 53 40.790 -5.983 42.694 1.00 0.00 ATOM 407 CB CYS A 53 39.516 -6.099 43.560 1.00 0.00 ATOM 408 SG CYS A 53 38.515 -4.583 43.527 1.00 0.00 ATOM 409 O CYS A 53 42.499 -5.318 44.255 1.00 0.00 ATOM 410 C CYS A 53 41.751 -4.971 43.321 1.00 0.00 ATOM 411 N TYR A 54 41.730 -3.725 42.838 1.00 0.00 ATOM 412 CA TYR A 54 42.563 -2.689 43.462 1.00 0.00 ATOM 413 CB TYR A 54 42.845 -1.550 42.465 1.00 0.00 ATOM 414 CG TYR A 54 43.754 -1.924 41.296 1.00 0.00 ATOM 415 CD1 TYR A 54 44.942 -2.669 41.477 1.00 0.00 ATOM 416 CD2 TYR A 54 43.442 -1.504 40.017 1.00 0.00 ATOM 417 CE1 TYR A 54 45.775 -2.998 40.361 1.00 0.00 ATOM 418 CE2 TYR A 54 44.242 -1.831 38.907 1.00 0.00 ATOM 419 CZ TYR A 54 45.435 -2.556 39.077 1.00 0.00 ATOM 420 OH TYR A 54 46.233 -2.861 37.946 1.00 0.00 ATOM 421 O TYR A 54 42.676 -1.340 45.476 1.00 0.00 ATOM 422 C TYR A 54 41.985 -2.087 44.762 1.00 0.00 ATOM 423 N LYS A 55 40.720 -2.350 45.050 1.00 0.00 ATOM 424 CA LYS A 55 40.094 -1.685 46.188 1.00 0.00 ATOM 425 CB LYS A 55 38.580 -1.976 46.261 1.00 0.00 ATOM 426 CG LYS A 55 37.869 -1.229 47.406 1.00 0.00 ATOM 427 CD LYS A 55 36.358 -1.393 47.286 1.00 0.00 ATOM 428 CE LYS A 55 35.568 -0.841 48.474 1.00 0.00 ATOM 429 NZ LYS A 55 34.074 -0.786 48.126 1.00 0.00 ATOM 430 O LYS A 55 40.842 -3.423 47.649 1.00 0.00 ATOM 431 C LYS A 55 40.774 -2.200 47.450 1.00 0.00 ATOM 432 N GLY A 56 41.261 -1.286 48.299 1.00 0.00 ATOM 433 CA GLY A 56 41.956 -1.680 49.527 1.00 0.00 ATOM 434 O GLY A 56 44.215 -2.099 50.329 1.00 0.00 ATOM 435 C GLY A 56 43.466 -1.886 49.339 1.00 0.00 ATOM 436 N SER A 57 43.928 -1.789 48.087 1.00 0.00 ATOM 437 CA SER A 57 45.352 -1.813 47.776 1.00 0.00 ATOM 438 CB SER A 57 45.575 -2.284 46.308 1.00 0.00 ATOM 439 OG SER A 57 45.335 -1.252 45.335 1.00 0.00 ATOM 440 O SER A 57 45.343 0.576 48.379 1.00 0.00 ATOM 441 C SER A 57 46.025 -0.419 48.094 1.00 0.00 ATOM 442 N THR A 58 47.360 -0.371 48.089 1.00 0.00 ATOM 443 CA THR A 58 48.109 0.826 48.477 1.00 0.00 ATOM 444 CB THR A 58 48.996 0.525 49.706 1.00 0.00 ATOM 445 CG2 THR A 58 48.157 0.042 50.928 1.00 0.00 ATOM 446 OG1 THR A 58 49.883 -0.531 49.381 1.00 0.00 ATOM 447 O THR A 58 49.197 0.600 46.343 1.00 0.00 ATOM 448 C THR A 58 49.022 1.296 47.345 1.00 0.00 ATOM 449 N PHE A 59 49.630 2.468 47.514 1.00 0.00 ATOM 450 CA PHE A 59 50.771 2.843 46.715 1.00 0.00 ATOM 451 CB PHE A 59 50.734 4.329 46.334 1.00 0.00 ATOM 452 CG PHE A 59 49.836 4.602 45.174 1.00 0.00 ATOM 453 CD1 PHE A 59 50.377 4.765 43.904 1.00 0.00 ATOM 454 CD2 PHE A 59 48.434 4.582 45.328 1.00 0.00 ATOM 455 CE1 PHE A 59 49.549 4.962 42.803 1.00 0.00 ATOM 456 CE2 PHE A 59 47.591 4.782 44.228 1.00 0.00 ATOM 457 CZ PHE A 59 48.156 4.992 42.963 1.00 0.00 ATOM 458 O PHE A 59 52.162 3.208 48.579 1.00 0.00 ATOM 459 C PHE A 59 51.971 2.557 47.562 1.00 0.00 ATOM 460 N HIS A 60 52.815 1.619 47.130 1.00 0.00 ATOM 461 CA HIS A 60 53.854 1.088 48.023 1.00 0.00 ATOM 462 CB HIS A 60 53.829 -0.433 47.976 1.00 0.00 ATOM 463 CG HIS A 60 54.224 -0.977 46.640 1.00 0.00 ATOM 464 CD2 HIS A 60 55.446 -1.281 46.135 1.00 0.00 ATOM 465 ND1 HIS A 60 53.310 -1.234 45.637 1.00 0.00 ATOM 466 CE1 HIS A 60 53.954 -1.716 44.587 1.00 0.00 ATOM 467 NE2 HIS A 60 55.254 -1.718 44.850 1.00 0.00 ATOM 468 O HIS A 60 56.194 1.295 48.312 1.00 0.00 ATOM 469 C HIS A 60 55.232 1.572 47.620 1.00 0.00 ATOM 470 N ARG A 61 55.330 2.298 46.509 1.00 0.00 ATOM 471 CA ARG A 61 56.627 2.858 46.072 1.00 0.00 ATOM 472 CB ARG A 61 57.368 1.923 45.074 1.00 0.00 ATOM 473 CG ARG A 61 58.823 2.367 44.665 1.00 0.00 ATOM 474 CD ARG A 61 59.476 1.317 43.701 1.00 0.00 ATOM 475 NE ARG A 61 60.773 1.804 43.206 1.00 0.00 ATOM 476 CZ ARG A 61 61.936 1.626 43.848 1.00 0.00 ATOM 477 NH1 ARG A 61 61.984 0.917 44.988 1.00 0.00 ATOM 478 NH2 ARG A 61 63.067 2.118 43.342 1.00 0.00 ATOM 479 O ARG A 61 55.569 4.453 44.607 1.00 0.00 ATOM 480 C ARG A 61 56.416 4.248 45.493 1.00 0.00 ATOM 481 N VAL A 62 57.182 5.200 46.020 1.00 0.00 ATOM 482 CA VAL A 62 57.024 6.605 45.662 1.00 0.00 ATOM 483 CB VAL A 62 56.319 7.415 46.785 1.00 0.00 ATOM 484 CG1 VAL A 62 56.544 8.918 46.584 1.00 0.00 ATOM 485 CG2 VAL A 62 54.822 7.057 46.846 1.00 0.00 ATOM 486 O VAL A 62 59.289 7.051 46.256 1.00 0.00 ATOM 487 C VAL A 62 58.398 7.176 45.406 1.00 0.00 ATOM 488 N VAL A 63 58.587 7.755 44.220 1.00 0.00 ATOM 489 CA VAL A 63 59.864 8.470 43.926 1.00 0.00 ATOM 490 CB VAL A 63 60.753 7.691 42.920 1.00 0.00 ATOM 491 CG1 VAL A 63 62.108 8.400 42.714 1.00 0.00 ATOM 492 CG2 VAL A 63 60.988 6.238 43.410 1.00 0.00 ATOM 493 O VAL A 63 59.100 10.060 42.311 1.00 0.00 ATOM 494 C VAL A 63 59.585 9.891 43.425 1.00 0.00 ATOM 495 N LYS A 64 59.891 10.892 44.247 1.00 0.00 ATOM 496 CA LYS A 64 59.536 12.255 43.907 1.00 0.00 ATOM 497 CB LYS A 64 59.937 13.227 45.042 1.00 0.00 ATOM 498 CG LYS A 64 59.692 14.702 44.743 1.00 0.00 ATOM 499 CD LYS A 64 59.761 15.529 46.016 1.00 0.00 ATOM 500 CE LYS A 64 60.209 16.987 45.791 1.00 0.00 ATOM 501 NZ LYS A 64 60.598 17.658 47.101 1.00 0.00 ATOM 502 O LYS A 64 61.387 12.402 42.369 1.00 0.00 ATOM 503 C LYS A 64 60.180 12.661 42.590 1.00 0.00 ATOM 504 N ASN A 65 59.377 13.251 41.707 1.00 0.00 ATOM 505 CA ASN A 65 59.854 13.705 40.384 1.00 0.00 ATOM 506 CB ASN A 65 61.114 14.570 40.524 1.00 0.00 ATOM 507 CG ASN A 65 60.846 15.876 41.252 1.00 0.00 ATOM 508 ND2 ASN A 65 61.859 16.373 41.970 1.00 0.00 ATOM 509 OD1 ASN A 65 59.751 16.454 41.151 1.00 0.00 ATOM 510 O ASN A 65 60.786 12.711 38.387 1.00 0.00 ATOM 511 C ASN A 65 60.122 12.557 39.424 1.00 0.00 ATOM 512 N PHE A 66 59.612 11.388 39.768 1.00 0.00 ATOM 513 CA PHE A 66 59.727 10.262 38.854 1.00 0.00 ATOM 514 CB PHE A 66 60.830 9.307 39.352 1.00 0.00 ATOM 515 CG PHE A 66 61.039 8.109 38.487 1.00 0.00 ATOM 516 CD1 PHE A 66 60.915 8.187 37.096 1.00 0.00 ATOM 517 CD2 PHE A 66 61.425 6.892 39.047 1.00 0.00 ATOM 518 CE1 PHE A 66 61.143 7.070 36.293 1.00 0.00 ATOM 519 CE2 PHE A 66 61.623 5.768 38.255 1.00 0.00 ATOM 520 CZ PHE A 66 61.503 5.862 36.869 1.00 0.00 ATOM 521 O PHE A 66 57.795 9.568 37.534 1.00 0.00 ATOM 522 C PHE A 66 58.377 9.561 38.659 1.00 0.00 ATOM 523 N MET A 67 57.877 8.925 39.718 1.00 0.00 ATOM 524 CA MET A 67 56.686 8.118 39.535 1.00 0.00 ATOM 525 CB MET A 67 57.006 6.867 38.705 1.00 0.00 ATOM 526 CG MET A 67 57.983 5.851 39.380 1.00 0.00 ATOM 527 SD MET A 67 57.128 4.582 40.366 1.00 0.00 ATOM 528 CE MET A 67 58.502 4.149 41.436 1.00 0.00 ATOM 529 O MET A 67 56.839 7.716 41.912 1.00 0.00 ATOM 530 C MET A 67 56.122 7.702 40.879 1.00 0.00 ATOM 531 N ILE A 68 54.844 7.332 40.867 1.00 0.00 ATOM 532 CA ILE A 68 54.246 6.589 41.993 1.00 0.00 ATOM 533 CB ILE A 68 53.118 7.419 42.709 1.00 0.00 ATOM 534 CG1 ILE A 68 51.891 7.612 41.792 1.00 0.00 ATOM 535 CG2 ILE A 68 53.743 8.692 43.300 1.00 0.00 ATOM 536 CD1 ILE A 68 50.690 8.359 42.488 1.00 0.00 ATOM 537 O ILE A 68 53.206 5.051 40.440 1.00 0.00 ATOM 538 C ILE A 68 53.724 5.197 41.549 1.00 0.00 ATOM 539 N GLN A 69 53.826 4.195 42.427 1.00 0.00 ATOM 540 CA GLN A 69 53.585 2.802 42.026 1.00 0.00 ATOM 541 CB GLN A 69 54.894 2.000 41.936 1.00 0.00 ATOM 542 CG GLN A 69 54.701 0.464 41.676 1.00 0.00 ATOM 543 CD GLN A 69 55.991 -0.226 41.205 1.00 0.00 ATOM 544 OE1 GLN A 69 56.924 0.442 40.778 1.00 0.00 ATOM 545 NE2 GLN A 69 56.052 -1.563 41.308 1.00 0.00 ATOM 546 O GLN A 69 52.807 2.244 44.169 1.00 0.00 ATOM 547 C GLN A 69 52.656 2.105 42.964 1.00 0.00 ATOM 548 N GLY A 70 51.691 1.353 42.439 1.00 0.00 ATOM 549 CA GLY A 70 50.794 0.599 43.315 1.00 0.00 ATOM 550 O GLY A 70 51.109 -1.228 41.750 1.00 0.00 ATOM 551 C GLY A 70 50.390 -0.720 42.649 1.00 0.00 ATOM 552 N GLY A 71 49.240 -1.252 43.076 1.00 0.00 ATOM 553 CA GLY A 71 48.632 -2.446 42.464 1.00 0.00 ATOM 554 O GLY A 71 48.621 -4.829 42.457 1.00 0.00 ATOM 555 C GLY A 71 49.063 -3.813 42.979 1.00 0.00 ATOM 556 N ASP A 72 49.857 -3.840 44.048 1.00 0.00 ATOM 557 CA ASP A 72 50.291 -5.107 44.607 1.00 0.00 ATOM 558 CB ASP A 72 51.706 -5.012 45.209 1.00 0.00 ATOM 559 CG ASP A 72 52.139 -6.322 45.838 1.00 0.00 ATOM 560 OD1 ASP A 72 51.287 -7.208 45.965 1.00 0.00 ATOM 561 OD2 ASP A 72 53.319 -6.467 46.205 1.00 0.00 ATOM 562 O ASP A 72 49.410 -5.214 46.840 1.00 0.00 ATOM 563 C ASP A 72 49.267 -5.496 45.654 1.00 0.00 ATOM 564 N PHE A 73 48.200 -6.135 45.198 1.00 0.00 ATOM 565 CA PHE A 73 47.068 -6.396 46.082 1.00 0.00 ATOM 566 CB PHE A 73 45.757 -6.569 45.266 1.00 0.00 ATOM 567 CG PHE A 73 45.790 -7.722 44.304 1.00 0.00 ATOM 568 CD1 PHE A 73 45.670 -9.054 44.764 1.00 0.00 ATOM 569 CD2 PHE A 73 45.872 -7.487 42.940 1.00 0.00 ATOM 570 CE1 PHE A 73 45.673 -10.131 43.870 1.00 0.00 ATOM 571 CE2 PHE A 73 45.870 -8.555 42.033 1.00 0.00 ATOM 572 CZ PHE A 73 45.773 -9.883 42.490 1.00 0.00 ATOM 573 O PHE A 73 46.547 -7.788 47.940 1.00 0.00 ATOM 574 C PHE A 73 47.299 -7.598 46.982 1.00 0.00 ATOM 575 N SER A 74 48.319 -8.411 46.687 1.00 0.00 ATOM 576 CA SER A 74 48.514 -9.649 47.450 1.00 0.00 ATOM 577 CB SER A 74 48.791 -10.865 46.566 1.00 0.00 ATOM 578 OG SER A 74 50.036 -10.770 45.895 1.00 0.00 ATOM 579 O SER A 74 49.483 -10.182 49.545 1.00 0.00 ATOM 580 C SER A 74 49.574 -9.514 48.509 1.00 0.00 ATOM 581 N GLU A 75 50.547 -8.630 48.276 1.00 0.00 ATOM 582 CA GLU A 75 51.637 -8.456 49.227 1.00 0.00 ATOM 583 CB GLU A 75 52.948 -8.987 48.655 1.00 0.00 ATOM 584 CG GLU A 75 52.862 -10.355 48.014 1.00 0.00 ATOM 585 CD GLU A 75 53.429 -11.419 48.833 1.00 0.00 ATOM 586 OE1 GLU A 75 53.170 -11.418 50.056 1.00 0.00 ATOM 587 OE2 GLU A 75 54.129 -12.268 48.238 1.00 0.00 ATOM 588 O GLU A 75 52.517 -6.775 50.686 1.00 0.00 ATOM 589 C GLU A 75 51.857 -7.015 49.662 1.00 0.00 ATOM 590 N GLY A 76 51.340 -6.053 48.905 1.00 0.00 ATOM 591 CA GLY A 76 51.519 -4.633 49.287 1.00 0.00 ATOM 592 O GLY A 76 53.247 -3.140 50.035 1.00 0.00 ATOM 593 C GLY A 76 52.970 -4.156 49.382 1.00 0.00 ATOM 594 N ASN A 77 53.907 -4.816 48.691 1.00 0.00 ATOM 595 CA ASN A 77 55.326 -4.425 48.847 1.00 0.00 ATOM 596 CB ASN A 77 56.021 -5.200 49.981 1.00 0.00 ATOM 597 CG ASN A 77 55.993 -6.689 49.766 1.00 0.00 ATOM 598 ND2 ASN A 77 56.297 -7.453 50.815 1.00 0.00 ATOM 599 OD1 ASN A 77 55.698 -7.155 48.666 1.00 0.00 ATOM 600 O ASN A 77 57.335 -4.282 47.566 1.00 0.00 ATOM 601 C ASN A 77 56.131 -4.527 47.569 1.00 0.00 ATOM 602 N GLY A 78 55.465 -4.850 46.467 1.00 0.00 ATOM 603 CA GLY A 78 56.170 -4.937 45.214 1.00 0.00 ATOM 604 O GLY A 78 56.773 -6.612 43.621 1.00 0.00 ATOM 605 C GLY A 78 56.432 -6.365 44.786 1.00 0.00 ATOM 606 N LYS A 79 56.282 -7.318 45.707 1.00 0.00 ATOM 607 CA LYS A 79 56.562 -8.713 45.347 1.00 0.00 ATOM 608 CB LYS A 79 57.109 -9.519 46.542 1.00 0.00 ATOM 609 CG LYS A 79 58.413 -9.000 47.090 1.00 0.00 ATOM 610 CD LYS A 79 58.932 -9.860 48.215 1.00 0.00 ATOM 611 CE LYS A 79 60.182 -9.244 48.827 1.00 0.00 ATOM 612 NZ LYS A 79 61.256 -9.044 47.792 1.00 0.00 ATOM 613 O LYS A 79 55.465 -10.468 44.145 1.00 0.00 ATOM 614 C LYS A 79 55.329 -9.418 44.776 1.00 0.00 ATOM 615 N GLY A 80 54.134 -8.869 45.016 1.00 0.00 ATOM 616 CA GLY A 80 52.909 -9.569 44.665 1.00 0.00 ATOM 617 O GLY A 80 52.648 -8.414 42.518 1.00 0.00 ATOM 618 C GLY A 80 52.115 -9.075 43.466 1.00 0.00 ATOM 619 N GLY A 81 50.831 -9.435 43.512 1.00 0.00 ATOM 620 CA GLY A 81 49.873 -9.152 42.465 1.00 0.00 ATOM 621 O GLY A 81 50.980 -10.842 41.169 1.00 0.00 ATOM 622 C GLY A 81 49.971 -10.158 41.331 1.00 0.00 ATOM 623 N GLU A 82 48.922 -10.226 40.522 1.00 0.00 ATOM 624 CA GLU A 82 48.961 -10.989 39.261 1.00 0.00 ATOM 625 CB GLU A 82 48.709 -12.483 39.541 1.00 0.00 ATOM 626 CG GLU A 82 47.272 -12.771 40.037 1.00 0.00 ATOM 627 CD GLU A 82 47.059 -14.247 40.313 1.00 0.00 ATOM 628 OE1 GLU A 82 47.419 -15.087 39.441 1.00 0.00 ATOM 629 OE2 GLU A 82 46.541 -14.559 41.396 1.00 0.00 ATOM 630 O GLU A 82 46.959 -9.699 38.870 1.00 0.00 ATOM 631 C GLU A 82 47.833 -10.464 38.392 1.00 0.00 ATOM 632 N SER A 83 47.860 -10.845 37.121 1.00 0.00 ATOM 633 CA SER A 83 46.823 -10.454 36.172 1.00 0.00 ATOM 634 CB SER A 83 47.395 -10.485 34.763 1.00 0.00 ATOM 635 OG SER A 83 47.360 -11.818 34.277 1.00 0.00 ATOM 636 O SER A 83 45.550 -12.457 36.805 1.00 0.00 ATOM 637 C SER A 83 45.563 -11.356 36.226 1.00 0.00 ATOM 638 N ILE A 84 44.508 -10.899 35.567 1.00 0.00 ATOM 639 CA ILE A 84 43.267 -11.669 35.435 1.00 0.00 ATOM 640 CB ILE A 84 42.121 -10.791 34.841 1.00 0.00 ATOM 641 CG1 ILE A 84 42.430 -10.333 33.417 1.00 0.00 ATOM 642 CG2 ILE A 84 41.852 -9.596 35.746 1.00 0.00 ATOM 643 CD1 ILE A 84 41.222 -9.788 32.701 1.00 0.00 ATOM 644 O ILE A 84 42.648 -13.838 34.610 1.00 0.00 ATOM 645 C ILE A 84 43.476 -12.927 34.582 1.00 0.00 ATOM 646 N TYR A 85 44.599 -13.007 33.868 1.00 0.00 ATOM 647 CA TYR A 85 44.839 -14.160 33.006 1.00 0.00 ATOM 648 CB TYR A 85 45.691 -13.763 31.787 1.00 0.00 ATOM 649 CG TYR A 85 45.116 -12.505 31.149 1.00 0.00 ATOM 650 CD1 TYR A 85 43.877 -12.538 30.511 1.00 0.00 ATOM 651 CD2 TYR A 85 45.795 -11.284 31.215 1.00 0.00 ATOM 652 CE1 TYR A 85 43.325 -11.394 29.958 1.00 0.00 ATOM 653 CE2 TYR A 85 45.231 -10.108 30.665 1.00 0.00 ATOM 654 CZ TYR A 85 44.007 -10.177 30.038 1.00 0.00 ATOM 655 OH TYR A 85 43.455 -9.041 29.492 1.00 0.00 ATOM 656 O TYR A 85 45.483 -16.421 33.234 1.00 0.00 ATOM 657 C TYR A 85 45.435 -15.338 33.765 1.00 0.00 ATOM 658 N GLY A 86 45.853 -15.108 35.014 1.00 0.00 ATOM 659 CA GLY A 86 46.564 -16.100 35.831 1.00 0.00 ATOM 660 O GLY A 86 48.698 -16.131 34.741 1.00 0.00 ATOM 661 C GLY A 86 48.074 -15.909 35.785 1.00 0.00 ATOM 662 N GLY A 87 48.672 -15.489 36.895 1.00 0.00 ATOM 663 CA GLY A 87 50.076 -15.059 36.865 1.00 0.00 ATOM 664 O GLY A 87 49.420 -12.946 35.902 1.00 0.00 ATOM 665 C GLY A 87 50.249 -13.888 35.907 1.00 0.00 ATOM 666 N TYR A 88 51.332 -13.938 35.120 1.00 0.00 ATOM 667 CA TYR A 88 51.846 -12.791 34.384 1.00 0.00 ATOM 668 CB TYR A 88 53.393 -12.719 34.465 1.00 0.00 ATOM 669 CG TYR A 88 53.982 -12.470 35.839 1.00 0.00 ATOM 670 CD1 TYR A 88 53.264 -11.760 36.801 1.00 0.00 ATOM 671 CD2 TYR A 88 55.262 -12.941 36.183 1.00 0.00 ATOM 672 CE1 TYR A 88 53.786 -11.529 38.073 1.00 0.00 ATOM 673 CE2 TYR A 88 55.795 -12.719 37.463 1.00 0.00 ATOM 674 CZ TYR A 88 55.051 -11.989 38.396 1.00 0.00 ATOM 675 OH TYR A 88 55.516 -11.717 39.667 1.00 0.00 ATOM 676 O TYR A 88 51.135 -13.954 32.463 1.00 0.00 ATOM 677 C TYR A 88 51.431 -12.897 32.917 1.00 0.00 ATOM 678 N PHE A 89 51.375 -11.789 32.194 1.00 0.00 ATOM 679 CA PHE A 89 51.134 -11.843 30.755 1.00 0.00 ATOM 680 CB PHE A 89 49.691 -11.413 30.413 1.00 0.00 ATOM 681 CG PHE A 89 49.355 -9.968 30.768 1.00 0.00 ATOM 682 CD1 PHE A 89 49.264 -9.005 29.775 1.00 0.00 ATOM 683 CD2 PHE A 89 49.091 -9.594 32.080 1.00 0.00 ATOM 684 CE1 PHE A 89 48.925 -7.658 30.059 1.00 0.00 ATOM 685 CE2 PHE A 89 48.775 -8.255 32.396 1.00 0.00 ATOM 686 CZ PHE A 89 48.699 -7.283 31.365 1.00 0.00 ATOM 687 O PHE A 89 52.908 -10.209 30.556 1.00 0.00 ATOM 688 C PHE A 89 52.201 -11.042 29.979 1.00 0.00 ATOM 689 N LYS A 90 52.327 -11.323 28.680 1.00 0.00 ATOM 690 CA LYS A 90 53.382 -10.736 27.855 1.00 0.00 ATOM 691 CB LYS A 90 53.370 -11.375 26.474 1.00 0.00 ATOM 692 CG LYS A 90 53.691 -12.857 26.430 1.00 0.00 ATOM 693 CD LYS A 90 53.897 -13.305 24.971 1.00 0.00 ATOM 694 CE LYS A 90 54.428 -14.742 24.876 1.00 0.00 ATOM 695 NZ LYS A 90 55.853 -14.919 25.318 1.00 0.00 ATOM 696 O LYS A 90 52.134 -8.640 27.812 1.00 0.00 ATOM 697 C LYS A 90 53.241 -9.206 27.683 1.00 0.00 ATOM 698 N ASP A 91 54.376 -8.564 27.390 1.00 0.00 ATOM 699 CA ASP A 91 54.432 -7.150 27.010 1.00 0.00 ATOM 700 CB ASP A 91 55.890 -6.710 26.814 1.00 0.00 ATOM 701 CG ASP A 91 56.683 -6.717 28.120 1.00 0.00 ATOM 702 OD1 ASP A 91 56.127 -6.245 29.146 1.00 0.00 ATOM 703 OD2 ASP A 91 57.851 -7.192 28.133 1.00 0.00 ATOM 704 O ASP A 91 53.981 -7.646 24.661 1.00 0.00 ATOM 705 C ASP A 91 53.625 -7.037 25.706 1.00 0.00 ATOM 706 N GLU A 92 52.492 -6.349 25.788 1.00 0.00 ATOM 707 CA GLU A 92 51.570 -6.326 24.629 1.00 0.00 ATOM 708 CB GLU A 92 50.240 -5.681 25.036 1.00 0.00 ATOM 709 CG GLU A 92 49.135 -5.846 23.984 1.00 0.00 ATOM 710 CD GLU A 92 47.754 -5.508 24.535 1.00 0.00 ATOM 711 OE1 GLU A 92 47.652 -4.913 25.646 1.00 0.00 ATOM 712 OE2 GLU A 92 46.782 -5.853 23.849 1.00 0.00 ATOM 713 O GLU A 92 52.206 -6.105 22.294 1.00 0.00 ATOM 714 C GLU A 92 52.212 -5.607 23.422 1.00 0.00 ATOM 715 N ASN A 93 52.776 -4.431 23.666 1.00 0.00 ATOM 716 CA ASN A 93 53.555 -3.724 22.635 1.00 0.00 ATOM 717 CB ASN A 93 52.672 -3.287 21.443 1.00 0.00 ATOM 718 CG ASN A 93 51.620 -2.268 21.849 1.00 0.00 ATOM 719 ND2 ASN A 93 50.346 -2.641 21.748 1.00 0.00 ATOM 720 OD1 ASN A 93 51.953 -1.163 22.271 1.00 0.00 ATOM 721 O ASN A 93 53.785 -2.196 24.441 1.00 0.00 ATOM 722 C ASN A 93 54.169 -2.524 23.316 1.00 0.00 ATOM 723 N PHE A 94 55.127 -1.880 22.663 1.00 0.00 ATOM 724 CA PHE A 94 55.702 -0.678 23.253 1.00 0.00 ATOM 725 CB PHE A 94 57.193 -0.878 23.517 1.00 0.00 ATOM 726 CG PHE A 94 57.485 -1.980 24.487 1.00 0.00 ATOM 727 CD1 PHE A 94 57.265 -1.801 25.855 1.00 0.00 ATOM 728 CD2 PHE A 94 58.011 -3.208 24.034 1.00 0.00 ATOM 729 CE1 PHE A 94 57.548 -2.838 26.746 1.00 0.00 ATOM 730 CE2 PHE A 94 58.297 -4.237 24.916 1.00 0.00 ATOM 731 CZ PHE A 94 58.070 -4.049 26.276 1.00 0.00 ATOM 732 O PHE A 94 56.364 1.385 22.218 1.00 0.00 ATOM 733 C PHE A 94 55.478 0.528 22.366 1.00 0.00 ATOM 734 N ILE A 95 54.293 0.600 21.765 1.00 0.00 ATOM 735 CA ILE A 95 53.994 1.721 20.868 1.00 0.00 ATOM 736 CB ILE A 95 52.717 1.461 20.081 1.00 0.00 ATOM 737 CG1 ILE A 95 52.877 0.151 19.284 1.00 0.00 ATOM 738 CG2 ILE A 95 52.448 2.628 19.135 1.00 0.00 ATOM 739 CD1 ILE A 95 51.567 -0.372 18.753 1.00 0.00 ATOM 740 O ILE A 95 54.582 4.067 21.063 1.00 0.00 ATOM 741 C ILE A 95 53.960 3.094 21.566 1.00 0.00 ATOM 742 N LEU A 96 53.267 3.177 22.713 1.00 0.00 ATOM 743 CA LEU A 96 53.181 4.426 23.450 1.00 0.00 ATOM 744 CB LEU A 96 51.989 4.430 24.393 1.00 0.00 ATOM 745 CG LEU A 96 50.607 4.506 23.734 1.00 0.00 ATOM 746 CD1 LEU A 96 49.422 4.262 24.751 1.00 0.00 ATOM 747 CD2 LEU A 96 50.440 5.816 23.028 1.00 0.00 ATOM 748 O LEU A 96 55.032 3.717 24.745 1.00 0.00 ATOM 749 C LEU A 96 54.453 4.667 24.227 1.00 0.00 ATOM 750 N LYS A 97 54.913 5.927 24.266 1.00 0.00 ATOM 751 CA LYS A 97 56.182 6.277 24.910 1.00 0.00 ATOM 752 CB LYS A 97 56.990 7.248 24.037 1.00 0.00 ATOM 753 CG LYS A 97 57.147 6.795 22.585 1.00 0.00 ATOM 754 CD LYS A 97 57.765 5.401 22.409 1.00 0.00 ATOM 755 CE LYS A 97 57.723 5.052 20.886 1.00 0.00 ATOM 756 NZ LYS A 97 57.717 3.578 20.776 1.00 0.00 ATOM 757 O LYS A 97 54.797 7.502 26.460 1.00 0.00 ATOM 758 C LYS A 97 55.902 6.978 26.241 1.00 0.00 ATOM 759 N HIS A 98 56.906 7.032 27.113 1.00 0.00 ATOM 760 CA HIS A 98 56.779 7.773 28.388 1.00 0.00 ATOM 761 CB HIS A 98 57.690 7.164 29.465 1.00 0.00 ATOM 762 CG HIS A 98 57.386 5.723 29.766 1.00 0.00 ATOM 763 CD2 HIS A 98 56.711 5.143 30.791 1.00 0.00 ATOM 764 ND1 HIS A 98 57.806 4.693 28.950 1.00 0.00 ATOM 765 CE1 HIS A 98 57.410 3.534 29.461 1.00 0.00 ATOM 766 NE2 HIS A 98 56.736 3.786 30.576 1.00 0.00 ATOM 767 O HIS A 98 58.267 9.638 28.550 1.00 0.00 ATOM 768 C HIS A 98 57.205 9.195 28.097 1.00 0.00 ATOM 769 N ASP A 99 56.400 9.885 27.292 1.00 0.00 ATOM 770 CA ASP A 99 56.810 11.173 26.726 1.00 0.00 ATOM 771 CB ASP A 99 56.386 11.298 25.225 1.00 0.00 ATOM 772 CG ASP A 99 54.868 11.503 25.054 1.00 0.00 ATOM 773 OD1 ASP A 99 54.098 10.895 25.813 1.00 0.00 ATOM 774 OD2 ASP A 99 54.412 12.297 24.169 1.00 0.00 ATOM 775 O ASP A 99 56.307 13.475 27.039 1.00 0.00 ATOM 776 C ASP A 99 56.194 12.328 27.497 1.00 0.00 ATOM 777 N ARG A 100 55.502 12.027 28.607 1.00 0.00 ATOM 778 CA ARG A 100 54.848 13.071 29.362 1.00 0.00 ATOM 779 CB ARG A 100 53.542 13.519 28.673 1.00 0.00 ATOM 780 CG ARG A 100 52.422 12.451 28.713 1.00 0.00 ATOM 781 CD ARG A 100 51.250 12.759 27.762 1.00 0.00 ATOM 782 NE ARG A 100 51.746 12.899 26.402 1.00 0.00 ATOM 783 CZ ARG A 100 51.166 13.623 25.448 1.00 0.00 ATOM 784 NH1 ARG A 100 50.022 14.256 25.684 1.00 0.00 ATOM 785 NH2 ARG A 100 51.739 13.694 24.251 1.00 0.00 ATOM 786 O ARG A 100 54.596 11.414 31.052 1.00 0.00 ATOM 787 C ARG A 100 54.560 12.602 30.764 1.00 0.00 ATOM 788 N ALA A 101 54.250 13.560 31.634 1.00 0.00 ATOM 789 CA ALA A 101 53.792 13.262 32.971 1.00 0.00 ATOM 790 CB ALA A 101 53.734 14.578 33.781 1.00 0.00 ATOM 791 O ALA A 101 51.620 12.783 31.981 1.00 0.00 ATOM 792 C ALA A 101 52.401 12.595 32.938 1.00 0.00 ATOM 793 N PHE A 102 52.103 11.849 33.999 1.00 0.00 ATOM 794 CA PHE A 102 50.761 11.313 34.279 1.00 0.00 ATOM 795 CB PHE A 102 49.712 12.428 34.325 1.00 0.00 ATOM 796 CG PHE A 102 50.071 13.534 35.279 1.00 0.00 ATOM 797 CD1 PHE A 102 50.538 13.239 36.557 1.00 0.00 ATOM 798 CD2 PHE A 102 49.967 14.873 34.895 1.00 0.00 ATOM 799 CE1 PHE A 102 50.879 14.269 37.467 1.00 0.00 ATOM 800 CE2 PHE A 102 50.305 15.925 35.788 1.00 0.00 ATOM 801 CZ PHE A 102 50.775 15.623 37.080 1.00 0.00 ATOM 802 O PHE A 102 49.118 9.833 33.261 1.00 0.00 ATOM 803 C PHE A 102 50.338 10.167 33.384 1.00 0.00 ATOM 804 N LEU A 103 51.327 9.509 32.783 1.00 0.00 ATOM 805 CA LEU A 103 51.016 8.302 32.018 1.00 0.00 ATOM 806 CB LEU A 103 52.129 7.988 31.019 1.00 0.00 ATOM 807 CG LEU A 103 52.084 8.894 29.786 1.00 0.00 ATOM 808 CD1 LEU A 103 53.433 8.780 29.007 1.00 0.00 ATOM 809 CD2 LEU A 103 50.884 8.628 28.862 1.00 0.00 ATOM 810 O LEU A 103 51.537 7.099 33.990 1.00 0.00 ATOM 811 C LEU A 103 50.876 7.128 32.957 1.00 0.00 ATOM 812 N LEU A 104 50.056 6.149 32.578 1.00 0.00 ATOM 813 CA LEU A 104 49.877 4.924 33.358 1.00 0.00 ATOM 814 CB LEU A 104 48.406 4.585 33.446 1.00 0.00 ATOM 815 CG LEU A 104 47.966 3.315 34.167 1.00 0.00 ATOM 816 CD1 LEU A 104 48.296 3.372 35.653 1.00 0.00 ATOM 817 CD2 LEU A 104 46.446 3.177 33.976 1.00 0.00 ATOM 818 O LEU A 104 50.291 3.666 31.330 1.00 0.00 ATOM 819 C LEU A 104 50.547 3.818 32.551 1.00 0.00 ATOM 820 N SER A 105 51.374 3.035 33.240 1.00 0.00 ATOM 821 CA SER A 105 52.294 2.126 32.604 1.00 0.00 ATOM 822 CB SER A 105 53.642 2.871 32.435 1.00 0.00 ATOM 823 OG SER A 105 54.571 2.133 31.670 1.00 0.00 ATOM 824 O SER A 105 52.217 0.967 34.695 1.00 0.00 ATOM 825 C SER A 105 52.447 0.891 33.488 1.00 0.00 ATOM 826 N MET A 106 52.803 -0.250 32.917 1.00 0.00 ATOM 827 CA MET A 106 52.877 -1.492 33.749 1.00 0.00 ATOM 828 CB MET A 106 52.664 -2.757 32.905 1.00 0.00 ATOM 829 CG MET A 106 51.183 -2.956 32.407 1.00 0.00 ATOM 830 SD MET A 106 50.011 -3.027 33.752 1.00 0.00 ATOM 831 CE MET A 106 50.404 -4.685 34.375 1.00 0.00 ATOM 832 O MET A 106 55.244 -1.487 33.824 1.00 0.00 ATOM 833 C MET A 106 54.217 -1.601 34.463 1.00 0.00 ATOM 834 N ALA A 107 54.205 -1.800 35.776 1.00 0.00 ATOM 835 CA ALA A 107 55.411 -2.214 36.522 1.00 0.00 ATOM 836 CB ALA A 107 55.106 -2.273 38.029 1.00 0.00 ATOM 837 O ALA A 107 54.890 -4.367 35.626 1.00 0.00 ATOM 838 C ALA A 107 55.771 -3.625 36.033 1.00 0.00 ATOM 839 N ASN A 108 57.041 -4.035 36.146 1.00 0.00 ATOM 840 CA ASN A 108 57.407 -5.413 35.811 1.00 0.00 ATOM 841 CB ASN A 108 57.390 -5.635 34.280 1.00 0.00 ATOM 842 CG ASN A 108 58.475 -4.884 33.553 1.00 0.00 ATOM 843 ND2 ASN A 108 58.107 -4.172 32.480 1.00 0.00 ATOM 844 OD1 ASN A 108 59.632 -4.948 33.931 1.00 0.00 ATOM 845 O ASN A 108 59.381 -4.926 37.118 1.00 0.00 ATOM 846 C ASN A 108 58.741 -5.785 36.467 1.00 0.00 ATOM 847 N ARG A 109 59.158 -7.037 36.316 1.00 0.00 ATOM 848 CA ARG A 109 60.497 -7.453 36.759 1.00 0.00 ATOM 849 CB ARG A 109 60.389 -8.400 37.950 1.00 0.00 ATOM 850 CG ARG A 109 59.385 -9.518 37.807 1.00 0.00 ATOM 851 CD ARG A 109 59.224 -10.202 39.171 1.00 0.00 ATOM 852 NE ARG A 109 58.850 -11.616 39.089 1.00 0.00 ATOM 853 CZ ARG A 109 58.554 -12.378 40.154 1.00 0.00 ATOM 854 NH1 ARG A 109 58.585 -11.858 41.385 1.00 0.00 ATOM 855 NH2 ARG A 109 58.218 -13.665 40.005 1.00 0.00 ATOM 856 O ARG A 109 62.030 -9.053 35.815 1.00 0.00 ATOM 857 C ARG A 109 61.319 -8.069 35.627 1.00 0.00 ATOM 858 N GLY A 110 61.224 -7.467 34.446 1.00 0.00 ATOM 859 CA GLY A 110 61.824 -8.063 33.243 1.00 0.00 ATOM 860 O GLY A 110 59.535 -8.108 32.419 1.00 0.00 ATOM 861 C GLY A 110 60.757 -8.344 32.201 1.00 0.00 ATOM 862 N LYS A 111 61.191 -8.825 31.037 1.00 0.00 ATOM 863 CA LYS A 111 60.272 -9.044 29.911 1.00 0.00 ATOM 864 CB LYS A 111 61.015 -9.567 28.670 1.00 0.00 ATOM 865 CG LYS A 111 61.907 -8.523 28.035 1.00 0.00 ATOM 866 CD LYS A 111 62.469 -9.035 26.699 1.00 0.00 ATOM 867 CE LYS A 111 63.131 -7.862 25.913 1.00 0.00 ATOM 868 NZ LYS A 111 62.141 -6.741 25.588 1.00 0.00 ATOM 869 O LYS A 111 59.307 -10.954 30.981 1.00 0.00 ATOM 870 C LYS A 111 59.114 -9.968 30.271 1.00 0.00 ATOM 871 N HIS A 112 57.906 -9.597 29.845 1.00 0.00 ATOM 872 CA HIS A 112 56.756 -10.476 29.978 1.00 0.00 ATOM 873 CB HIS A 112 56.980 -11.700 29.088 1.00 0.00 ATOM 874 CG HIS A 112 57.244 -11.335 27.663 1.00 0.00 ATOM 875 CD2 HIS A 112 56.622 -10.448 26.845 1.00 0.00 ATOM 876 ND1 HIS A 112 58.281 -11.874 26.925 1.00 0.00 ATOM 877 CE1 HIS A 112 58.273 -11.345 25.710 1.00 0.00 ATOM 878 NE2 HIS A 112 57.277 -10.481 25.637 1.00 0.00 ATOM 879 O HIS A 112 56.143 -12.040 31.715 1.00 0.00 ATOM 880 C HIS A 112 56.418 -10.860 31.420 1.00 0.00 ATOM 881 N THR A 113 56.422 -9.871 32.329 1.00 0.00 ATOM 882 CA THR A 113 56.124 -10.177 33.707 1.00 0.00 ATOM 883 CB THR A 113 57.386 -10.158 34.605 1.00 0.00 ATOM 884 CG2 THR A 113 58.386 -11.241 34.193 1.00 0.00 ATOM 885 OG1 THR A 113 58.001 -8.863 34.552 1.00 0.00 ATOM 886 O THR A 113 55.152 -8.760 35.374 1.00 0.00 ATOM 887 C THR A 113 55.080 -9.188 34.223 1.00 0.00 ATOM 888 N ASN A 114 54.114 -8.851 33.354 1.00 0.00 ATOM 889 CA ASN A 114 53.039 -7.930 33.701 1.00 0.00 ATOM 890 CB ASN A 114 52.338 -7.406 32.449 1.00 0.00 ATOM 891 CG ASN A 114 53.283 -6.673 31.517 1.00 0.00 ATOM 892 ND2 ASN A 114 53.691 -5.498 31.934 1.00 0.00 ATOM 893 OD1 ASN A 114 53.644 -7.168 30.426 1.00 0.00 ATOM 894 O ASN A 114 51.556 -9.730 34.242 1.00 0.00 ATOM 895 C ASN A 114 52.035 -8.646 34.581 1.00 0.00 ATOM 896 N GLY A 115 51.683 -8.034 35.712 1.00 0.00 ATOM 897 CA GLY A 115 50.722 -8.677 36.606 1.00 0.00 ATOM 898 O GLY A 115 48.785 -7.479 35.980 1.00 0.00 ATOM 899 C GLY A 115 49.580 -7.735 36.870 1.00 0.00 ATOM 900 N SER A 116 49.557 -7.168 38.083 1.00 0.00 ATOM 901 CA SER A 116 48.610 -6.109 38.429 1.00 0.00 ATOM 902 CB SER A 116 47.711 -6.586 39.598 1.00 0.00 ATOM 903 OG SER A 116 48.482 -6.843 40.781 1.00 0.00 ATOM 904 O SER A 116 48.627 -3.724 38.848 1.00 0.00 ATOM 905 C SER A 116 49.286 -4.784 38.791 1.00 0.00 ATOM 906 N GLN A 117 50.575 -4.821 39.088 1.00 0.00 ATOM 907 CA GLN A 117 51.244 -3.589 39.508 1.00 0.00 ATOM 908 CB GLN A 117 52.597 -3.886 40.188 1.00 0.00 ATOM 909 CG GLN A 117 52.510 -4.737 41.491 1.00 0.00 ATOM 910 CD GLN A 117 53.867 -4.867 42.133 1.00 0.00 ATOM 911 OE1 GLN A 117 54.559 -3.866 42.307 1.00 0.00 ATOM 912 NE2 GLN A 117 54.275 -6.092 42.467 1.00 0.00 ATOM 913 O GLN A 117 51.632 -3.042 37.154 1.00 0.00 ATOM 914 C GLN A 117 51.388 -2.621 38.303 1.00 0.00 ATOM 915 N PHE A 118 51.242 -1.325 38.592 1.00 0.00 ATOM 916 CA PHE A 118 51.256 -0.252 37.591 1.00 0.00 ATOM 917 CB PHE A 118 49.796 0.188 37.299 1.00 0.00 ATOM 918 CG PHE A 118 49.085 0.711 38.554 1.00 0.00 ATOM 919 CD1 PHE A 118 49.251 2.058 38.952 1.00 0.00 ATOM 920 CD2 PHE A 118 48.347 -0.160 39.379 1.00 0.00 ATOM 921 CE1 PHE A 118 48.686 2.523 40.170 1.00 0.00 ATOM 922 CE2 PHE A 118 47.749 0.311 40.569 1.00 0.00 ATOM 923 CZ PHE A 118 47.916 1.665 40.948 1.00 0.00 ATOM 924 O PHE A 118 52.193 0.986 39.460 1.00 0.00 ATOM 925 C PHE A 118 52.006 0.936 38.234 1.00 0.00 ATOM 926 N PHE A 119 52.418 1.908 37.439 1.00 0.00 ATOM 927 CA PHE A 119 52.944 3.104 38.036 1.00 0.00 ATOM 928 CB PHE A 119 54.487 3.091 38.125 1.00 0.00 ATOM 929 CG PHE A 119 55.194 2.919 36.778 1.00 0.00 ATOM 930 CD1 PHE A 119 55.739 4.030 36.128 1.00 0.00 ATOM 931 CD2 PHE A 119 55.313 1.646 36.180 1.00 0.00 ATOM 932 CE1 PHE A 119 56.426 3.897 34.904 1.00 0.00 ATOM 933 CE2 PHE A 119 55.978 1.485 34.957 1.00 0.00 ATOM 934 CZ PHE A 119 56.553 2.628 34.310 1.00 0.00 ATOM 935 O PHE A 119 52.055 4.060 36.016 1.00 0.00 ATOM 936 C PHE A 119 52.448 4.267 37.187 1.00 0.00 ATOM 937 N ILE A 120 52.436 5.450 37.797 1.00 0.00 ATOM 938 CA ILE A 120 52.024 6.712 37.144 1.00 0.00 ATOM 939 CB ILE A 120 50.875 7.384 37.920 1.00 0.00 ATOM 940 CG1 ILE A 120 49.659 6.411 38.051 1.00 0.00 ATOM 941 CG2 ILE A 120 50.505 8.823 37.313 1.00 0.00 ATOM 942 CD1 ILE A 120 48.491 6.848 39.078 1.00 0.00 ATOM 943 O ILE A 120 53.879 7.799 38.247 1.00 0.00 ATOM 944 C ILE A 120 53.273 7.613 37.180 1.00 0.00 ATOM 945 N THR A 121 53.718 8.097 36.020 1.00 0.00 ATOM 946 CA THR A 121 54.912 8.920 35.971 1.00 0.00 ATOM 947 CB THR A 121 55.497 8.914 34.552 1.00 0.00 ATOM 948 CG2 THR A 121 55.835 7.510 34.088 1.00 0.00 ATOM 949 OG1 THR A 121 54.494 9.401 33.658 1.00 0.00 ATOM 950 O THR A 121 53.360 10.771 36.200 1.00 0.00 ATOM 951 C THR A 121 54.523 10.372 36.341 1.00 0.00 ATOM 952 N THR A 122 55.494 11.184 36.763 1.00 0.00 ATOM 953 CA THR A 122 55.187 12.553 37.035 1.00 0.00 ATOM 954 CB THR A 122 55.314 12.851 38.554 1.00 0.00 ATOM 955 CG2 THR A 122 54.341 11.945 39.366 1.00 0.00 ATOM 956 OG1 THR A 122 56.646 12.544 38.982 1.00 0.00 ATOM 957 O THR A 122 56.099 14.649 36.281 1.00 0.00 ATOM 958 C THR A 122 56.082 13.415 36.165 1.00 0.00 ATOM 959 N LYS A 123 56.802 12.762 35.260 1.00 0.00 ATOM 960 CA LYS A 123 57.607 13.454 34.243 1.00 0.00 ATOM 961 CB LYS A 123 58.909 13.966 34.874 1.00 0.00 ATOM 962 CG LYS A 123 59.911 12.865 35.174 1.00 0.00 ATOM 963 CD LYS A 123 61.301 13.404 35.570 1.00 0.00 ATOM 964 CE LYS A 123 61.589 14.810 35.009 1.00 0.00 ATOM 965 NZ LYS A 123 63.043 15.220 35.085 1.00 0.00 ATOM 966 O LYS A 123 57.726 11.280 33.169 1.00 0.00 ATOM 967 C LYS A 123 57.899 12.516 33.045 1.00 0.00 ATOM 968 N PRO A 124 58.355 13.079 31.890 1.00 0.00 ATOM 969 CA PRO A 124 58.758 12.193 30.801 1.00 0.00 ATOM 970 CB PRO A 124 59.338 13.162 29.769 1.00 0.00 ATOM 971 CG PRO A 124 58.608 14.443 30.037 1.00 0.00 ATOM 972 CD PRO A 124 58.544 14.498 31.524 1.00 0.00 ATOM 973 O PRO A 124 60.655 11.617 32.165 1.00 0.00 ATOM 974 C PRO A 124 59.843 11.224 31.312 1.00 0.00 ATOM 975 N ALA A 125 59.840 9.979 30.835 1.00 0.00 ATOM 976 CA ALA A 125 60.825 9.013 31.298 1.00 0.00 ATOM 977 CB ALA A 125 60.206 8.179 32.403 1.00 0.00 ATOM 978 O ALA A 125 60.934 6.953 30.067 1.00 0.00 ATOM 979 C ALA A 125 61.255 8.136 30.113 1.00 0.00 ATOM 980 N PRO A 126 61.911 8.734 29.103 1.00 0.00 ATOM 981 CA PRO A 126 62.147 7.991 27.870 1.00 0.00 ATOM 982 CB PRO A 126 62.784 9.023 26.948 1.00 0.00 ATOM 983 CG PRO A 126 63.381 10.094 27.910 1.00 0.00 ATOM 984 CD PRO A 126 62.384 10.134 29.026 1.00 0.00 ATOM 985 O PRO A 126 62.983 5.870 27.201 1.00 0.00 ATOM 986 C PRO A 126 63.051 6.762 28.022 1.00 0.00 ATOM 987 N HIS A 127 63.862 6.694 29.074 1.00 0.00 ATOM 988 CA HIS A 127 64.668 5.522 29.301 1.00 0.00 ATOM 989 CB HIS A 127 65.686 5.718 30.455 1.00 0.00 ATOM 990 CG HIS A 127 65.064 6.014 31.785 1.00 0.00 ATOM 991 CD2 HIS A 127 65.129 5.344 32.968 1.00 0.00 ATOM 992 ND1 HIS A 127 64.308 7.151 32.025 1.00 0.00 ATOM 993 CE1 HIS A 127 63.942 7.166 33.297 1.00 0.00 ATOM 994 NE2 HIS A 127 64.403 6.070 33.883 1.00 0.00 ATOM 995 O HIS A 127 64.290 3.190 29.485 1.00 0.00 ATOM 996 C HIS A 127 63.794 4.310 29.576 1.00 0.00 ATOM 997 N LEU A 128 62.508 4.523 29.889 1.00 0.00 ATOM 998 CA LEU A 128 61.578 3.379 30.123 1.00 0.00 ATOM 999 CB LEU A 128 60.529 3.721 31.209 1.00 0.00 ATOM 1000 CG LEU A 128 61.067 4.186 32.589 1.00 0.00 ATOM 1001 CD1 LEU A 128 59.902 4.462 33.592 1.00 0.00 ATOM 1002 CD2 LEU A 128 61.978 3.118 33.127 1.00 0.00 ATOM 1003 O LEU A 128 60.213 1.832 28.850 1.00 0.00 ATOM 1004 C LEU A 128 60.891 2.857 28.829 1.00 0.00 ATOM 1005 N ASP A 129 61.092 3.543 27.700 1.00 0.00 ATOM 1006 CA ASP A 129 60.448 3.150 26.468 1.00 0.00 ATOM 1007 CB ASP A 129 60.652 4.201 25.360 1.00 0.00 ATOM 1008 CG ASP A 129 60.062 5.553 25.714 1.00 0.00 ATOM 1009 OD1 ASP A 129 59.222 5.614 26.632 1.00 0.00 ATOM 1010 OD2 ASP A 129 60.451 6.566 25.082 1.00 0.00 ATOM 1011 O ASP A 129 62.202 1.577 25.957 1.00 0.00 ATOM 1012 C ASP A 129 61.003 1.786 26.016 1.00 0.00 ATOM 1013 N GLY A 130 60.103 0.872 25.688 1.00 0.00 ATOM 1014 CA GLY A 130 60.484 -0.477 25.242 1.00 0.00 ATOM 1015 O GLY A 130 61.240 -2.541 26.259 1.00 0.00 ATOM 1016 C GLY A 130 60.781 -1.384 26.434 1.00 0.00 ATOM 1017 N VAL A 131 60.521 -0.873 27.640 1.00 0.00 ATOM 1018 CA VAL A 131 60.712 -1.598 28.895 1.00 0.00 ATOM 1019 CB VAL A 131 61.714 -0.829 29.837 1.00 0.00 ATOM 1020 CG1 VAL A 131 62.080 -1.671 31.061 1.00 0.00 ATOM 1021 CG2 VAL A 131 62.993 -0.465 29.093 1.00 0.00 ATOM 1022 O VAL A 131 59.078 -2.981 30.086 1.00 0.00 ATOM 1023 C VAL A 131 59.372 -1.848 29.647 1.00 0.00 ATOM 1024 N HIS A 132 58.573 -0.786 29.781 1.00 0.00 ATOM 1025 CA HIS A 132 57.278 -0.833 30.449 1.00 0.00 ATOM 1026 CB HIS A 132 57.254 0.152 31.615 1.00 0.00 ATOM 1027 CG HIS A 132 58.252 -0.190 32.666 1.00 0.00 ATOM 1028 CD2 HIS A 132 59.544 0.184 32.825 1.00 0.00 ATOM 1029 ND1 HIS A 132 58.003 -1.146 33.624 1.00 0.00 ATOM 1030 CE1 HIS A 132 59.085 -1.297 34.376 1.00 0.00 ATOM 1031 NE2 HIS A 132 60.032 -0.495 33.915 1.00 0.00 ATOM 1032 O HIS A 132 56.370 0.521 28.710 1.00 0.00 ATOM 1033 C HIS A 132 56.214 -0.467 29.452 1.00 0.00 ATOM 1034 N VAL A 133 55.129 -1.244 29.439 1.00 0.00 ATOM 1035 CA VAL A 133 54.028 -0.994 28.530 1.00 0.00 ATOM 1036 CB VAL A 133 53.119 -2.266 28.356 1.00 0.00 ATOM 1037 CG1 VAL A 133 51.893 -1.951 27.494 1.00 0.00 ATOM 1038 CG2 VAL A 133 53.898 -3.440 27.749 1.00 0.00 ATOM 1039 O VAL A 133 52.561 0.092 30.139 1.00 0.00 ATOM 1040 C VAL A 133 53.181 0.183 29.053 1.00 0.00 ATOM 1041 N VAL A 134 53.134 1.257 28.264 1.00 0.00 ATOM 1042 CA VAL A 134 52.224 2.425 28.528 1.00 0.00 ATOM 1043 CB VAL A 134 52.753 3.714 27.882 1.00 0.00 ATOM 1044 CG1 VAL A 134 51.763 4.919 28.063 1.00 0.00 ATOM 1045 CG2 VAL A 134 54.155 4.019 28.392 1.00 0.00 ATOM 1046 O VAL A 134 50.723 1.753 26.766 1.00 0.00 ATOM 1047 C VAL A 134 50.840 2.129 27.952 1.00 0.00 ATOM 1048 N PHE A 135 49.777 2.297 28.763 1.00 0.00 ATOM 1049 CA PHE A 135 48.459 1.979 28.267 1.00 0.00 ATOM 1050 CB PHE A 135 48.090 0.527 28.668 1.00 0.00 ATOM 1051 CG PHE A 135 48.007 0.330 30.156 1.00 0.00 ATOM 1052 CD1 PHE A 135 46.769 0.351 30.801 1.00 0.00 ATOM 1053 CD2 PHE A 135 49.165 0.170 30.919 1.00 0.00 ATOM 1054 CE1 PHE A 135 46.673 0.212 32.202 1.00 0.00 ATOM 1055 CE2 PHE A 135 49.088 0.029 32.319 1.00 0.00 ATOM 1056 CZ PHE A 135 47.831 0.023 32.960 1.00 0.00 ATOM 1057 O PHE A 135 46.161 2.742 28.338 1.00 0.00 ATOM 1058 C PHE A 135 47.359 2.983 28.621 1.00 0.00 ATOM 1059 N GLY A 136 47.731 4.108 29.234 1.00 0.00 ATOM 1060 CA GLY A 136 46.689 4.986 29.764 1.00 0.00 ATOM 1061 O GLY A 136 48.467 6.502 30.224 1.00 0.00 ATOM 1062 C GLY A 136 47.243 6.297 30.217 1.00 0.00 ATOM 1063 N LEU A 137 46.347 7.201 30.606 1.00 0.00 ATOM 1064 CA LEU A 137 46.761 8.540 30.999 1.00 0.00 ATOM 1065 CB LEU A 137 46.595 9.469 29.789 1.00 0.00 ATOM 1066 CG LEU A 137 46.791 10.984 29.888 1.00 0.00 ATOM 1067 CD1 LEU A 137 48.264 11.360 30.276 1.00 0.00 ATOM 1068 CD2 LEU A 137 46.443 11.584 28.533 1.00 0.00 ATOM 1069 O LEU A 137 44.608 8.806 32.018 1.00 0.00 ATOM 1070 C LEU A 137 45.821 9.036 32.093 1.00 0.00 ATOM 1071 N VAL A 138 46.361 9.732 33.088 1.00 0.00 ATOM 1072 CA VAL A 138 45.525 10.372 34.110 1.00 0.00 ATOM 1073 CB VAL A 138 46.317 10.708 35.400 1.00 0.00 ATOM 1074 CG1 VAL A 138 45.460 11.501 36.392 1.00 0.00 ATOM 1075 CG2 VAL A 138 46.841 9.408 36.053 1.00 0.00 ATOM 1076 O VAL A 138 45.619 12.434 32.842 1.00 0.00 ATOM 1077 C VAL A 138 44.917 11.628 33.479 1.00 0.00 ATOM 1078 N ILE A 139 43.609 11.795 33.621 1.00 0.00 ATOM 1079 CA ILE A 139 42.982 12.955 33.037 1.00 0.00 ATOM 1080 CB ILE A 139 41.928 12.507 31.960 1.00 0.00 ATOM 1081 CG1 ILE A 139 40.838 11.621 32.570 1.00 0.00 ATOM 1082 CG2 ILE A 139 42.615 11.775 30.796 1.00 0.00 ATOM 1083 CD1 ILE A 139 39.520 11.598 31.728 1.00 0.00 ATOM 1084 O ILE A 139 41.837 14.935 33.796 1.00 0.00 ATOM 1085 C ILE A 139 42.358 13.846 34.107 1.00 0.00 ATOM 1086 N SER A 140 42.366 13.390 35.367 1.00 0.00 ATOM 1087 CA SER A 140 41.884 14.204 36.450 1.00 0.00 ATOM 1088 CB SER A 140 40.339 14.132 36.549 1.00 0.00 ATOM 1089 OG SER A 140 39.914 15.087 37.492 1.00 0.00 ATOM 1090 O SER A 140 42.727 12.413 37.812 1.00 0.00 ATOM 1091 C SER A 140 42.474 13.648 37.728 1.00 0.00 ATOM 1092 N GLY A 141 42.655 14.533 38.724 1.00 0.00 ATOM 1093 CA GLY A 141 43.280 14.176 39.997 1.00 0.00 ATOM 1094 O GLY A 141 45.473 13.723 40.849 1.00 0.00 ATOM 1095 C GLY A 141 44.768 14.422 40.111 1.00 0.00 ATOM 1096 N PHE A 142 45.263 15.424 39.400 1.00 0.00 ATOM 1097 CA PHE A 142 46.692 15.746 39.378 1.00 0.00 ATOM 1098 CB PHE A 142 46.925 16.836 38.322 1.00 0.00 ATOM 1099 CG PHE A 142 46.330 16.466 36.975 1.00 0.00 ATOM 1100 CD1 PHE A 142 46.788 15.320 36.298 1.00 0.00 ATOM 1101 CD2 PHE A 142 45.287 17.220 36.405 1.00 0.00 ATOM 1102 CE1 PHE A 142 46.253 14.960 35.059 1.00 0.00 ATOM 1103 CE2 PHE A 142 44.719 16.853 35.177 1.00 0.00 ATOM 1104 CZ PHE A 142 45.197 15.728 34.507 1.00 0.00 ATOM 1105 O PHE A 142 48.341 15.848 41.152 1.00 0.00 ATOM 1106 C PHE A 142 47.192 16.150 40.768 1.00 0.00 ATOM 1107 N GLU A 143 46.324 16.836 41.521 1.00 0.00 ATOM 1108 CA GLU A 143 46.691 17.280 42.871 1.00 0.00 ATOM 1109 CB GLU A 143 45.673 18.288 43.425 1.00 0.00 ATOM 1110 CG GLU A 143 44.276 17.700 43.715 1.00 0.00 ATOM 1111 CD GLU A 143 43.429 17.336 42.449 1.00 0.00 ATOM 1112 OE1 GLU A 143 43.770 17.753 41.276 1.00 0.00 ATOM 1113 OE2 GLU A 143 42.406 16.641 42.680 1.00 0.00 ATOM 1114 O GLU A 143 47.716 16.102 44.686 1.00 0.00 ATOM 1115 C GLU A 143 46.888 16.061 43.806 1.00 0.00 ATOM 1116 N VAL A 144 46.124 14.988 43.591 1.00 0.00 ATOM 1117 CA VAL A 144 46.259 13.747 44.365 1.00 0.00 ATOM 1118 CB VAL A 144 45.186 12.684 43.982 1.00 0.00 ATOM 1119 CG1 VAL A 144 45.223 11.521 44.942 1.00 0.00 ATOM 1120 CG2 VAL A 144 43.778 13.263 43.962 1.00 0.00 ATOM 1121 O VAL A 144 48.300 12.634 45.007 1.00 0.00 ATOM 1122 C VAL A 144 47.624 13.114 44.088 1.00 0.00 ATOM 1123 N ILE A 145 47.994 13.064 42.806 1.00 0.00 ATOM 1124 CA ILE A 145 49.253 12.475 42.398 1.00 0.00 ATOM 1125 CB ILE A 145 49.435 12.488 40.839 1.00 0.00 ATOM 1126 CG1 ILE A 145 48.302 11.726 40.110 1.00 0.00 ATOM 1127 CG2 ILE A 145 50.819 11.960 40.415 1.00 0.00 ATOM 1128 CD1 ILE A 145 48.069 10.376 40.604 1.00 0.00 ATOM 1129 O ILE A 145 51.282 12.700 43.692 1.00 0.00 ATOM 1130 C ILE A 145 50.362 13.285 43.107 1.00 0.00 ATOM 1131 N GLU A 146 50.267 14.619 43.027 1.00 0.00 ATOM 1132 CA GLU A 146 51.277 15.525 43.619 1.00 0.00 ATOM 1133 CB GLU A 146 50.832 17.000 43.518 1.00 0.00 ATOM 1134 CG GLU A 146 51.892 18.000 44.132 1.00 0.00 ATOM 1135 CD GLU A 146 51.444 19.471 44.185 1.00 0.00 ATOM 1136 OE1 GLU A 146 50.258 19.755 44.492 1.00 0.00 ATOM 1137 OE2 GLU A 146 52.308 20.350 43.928 1.00 0.00 ATOM 1138 O GLU A 146 52.547 15.134 45.621 1.00 0.00 ATOM 1139 C GLU A 146 51.438 15.213 45.090 1.00 0.00 ATOM 1140 N GLN A 147 50.301 15.109 45.762 1.00 0.00 ATOM 1141 CA GLN A 147 50.301 14.864 47.178 1.00 0.00 ATOM 1142 CB GLN A 147 48.860 14.919 47.706 1.00 0.00 ATOM 1143 CG GLN A 147 48.841 15.211 49.170 1.00 0.00 ATOM 1144 CD GLN A 147 47.467 15.402 49.778 1.00 0.00 ATOM 1145 OE1 GLN A 147 46.483 15.773 49.109 1.00 0.00 ATOM 1146 NE2 GLN A 147 47.408 15.180 51.090 1.00 0.00 ATOM 1147 O GLN A 147 51.902 13.490 48.393 1.00 0.00 ATOM 1148 C GLN A 147 51.006 13.524 47.531 1.00 0.00 ATOM 1149 N ILE A 148 50.630 12.444 46.837 1.00 0.00 ATOM 1150 CA ILE A 148 51.237 11.144 47.037 1.00 0.00 ATOM 1151 CB ILE A 148 50.598 10.046 46.124 1.00 0.00 ATOM 1152 CG1 ILE A 148 49.142 9.783 46.517 1.00 0.00 ATOM 1153 CG2 ILE A 148 51.414 8.695 46.234 1.00 0.00 ATOM 1154 CD1 ILE A 148 48.335 8.970 45.483 1.00 0.00 ATOM 1155 O ILE A 148 53.553 10.679 47.512 1.00 0.00 ATOM 1156 C ILE A 148 52.744 11.204 46.747 1.00 0.00 ATOM 1157 N GLU A 149 53.105 11.805 45.615 1.00 0.00 ATOM 1158 CA GLU A 149 54.509 11.952 45.189 1.00 0.00 ATOM 1159 CB GLU A 149 54.525 12.798 43.892 1.00 0.00 ATOM 1160 CG GLU A 149 55.829 12.843 43.196 1.00 0.00 ATOM 1161 CD GLU A 149 55.886 13.891 42.111 1.00 0.00 ATOM 1162 OE1 GLU A 149 54.929 14.679 41.901 1.00 0.00 ATOM 1163 OE2 GLU A 149 56.884 13.881 41.388 1.00 0.00 ATOM 1164 O GLU A 149 56.654 12.389 46.203 1.00 0.00 ATOM 1165 C GLU A 149 55.426 12.640 46.203 1.00 0.00 ATOM 1166 N ASN A 150 54.855 13.533 47.026 1.00 0.00 ATOM 1167 CA ASN A 150 55.651 14.301 47.999 1.00 0.00 ATOM 1168 CB ASN A 150 55.207 15.747 48.030 1.00 0.00 ATOM 1169 CG ASN A 150 55.700 16.500 46.813 1.00 0.00 ATOM 1170 ND2 ASN A 150 54.901 16.530 45.739 1.00 0.00 ATOM 1171 OD1 ASN A 150 56.819 16.995 46.815 1.00 0.00 ATOM 1172 O ASN A 150 56.368 14.221 50.302 1.00 0.00 ATOM 1173 C ASN A 150 55.716 13.681 49.389 1.00 0.00 ATOM 1174 N LEU A 151 55.129 12.495 49.537 1.00 0.00 ATOM 1175 CA LEU A 151 55.191 11.817 50.854 1.00 0.00 ATOM 1176 CB LEU A 151 54.248 10.610 50.888 1.00 0.00 ATOM 1177 CG LEU A 151 52.731 10.859 50.732 1.00 0.00 ATOM 1178 CD1 LEU A 151 52.025 9.569 50.483 1.00 0.00 ATOM 1179 CD2 LEU A 151 52.141 11.572 51.972 1.00 0.00 ATOM 1180 O LEU A 151 57.366 10.986 50.350 1.00 0.00 ATOM 1181 C LEU A 151 56.603 11.387 51.217 1.00 0.00 ATOM 1182 N LYS A 152 56.944 11.484 52.511 1.00 0.00 ATOM 1183 CA LYS A 152 58.185 10.927 53.066 1.00 0.00 ATOM 1184 CB LYS A 152 58.235 11.193 54.589 1.00 0.00 ATOM 1185 CG LYS A 152 59.568 10.918 55.244 1.00 0.00 ATOM 1186 CD LYS A 152 60.501 12.113 55.079 1.00 0.00 ATOM 1187 CE LYS A 152 61.957 11.654 54.917 1.00 0.00 ATOM 1188 NZ LYS A 152 62.536 11.141 56.173 1.00 0.00 ATOM 1189 O LYS A 152 57.309 8.696 53.173 1.00 0.00 ATOM 1190 C LYS A 152 58.259 9.426 52.859 1.00 0.00 ATOM 1191 N THR A 153 59.394 8.937 52.382 1.00 0.00 ATOM 1192 CA THR A 153 59.533 7.508 52.160 1.00 0.00 ATOM 1193 CB THR A 153 59.786 7.214 50.717 1.00 0.00 ATOM 1194 CG2 THR A 153 58.596 7.660 49.867 1.00 0.00 ATOM 1195 OG1 THR A 153 60.949 7.922 50.288 1.00 0.00 ATOM 1196 O THR A 153 61.573 7.775 53.315 1.00 0.00 ATOM 1197 C THR A 153 60.726 6.986 52.916 1.00 0.00 ATOM 1198 N ASP A 154 60.833 5.667 53.076 1.00 0.00 ATOM 1199 CA ASP A 154 62.024 5.113 53.690 1.00 0.00 ATOM 1200 CB ASP A 154 61.698 3.821 54.460 1.00 0.00 ATOM 1201 CG ASP A 154 61.194 2.703 53.542 1.00 0.00 ATOM 1202 OD1 ASP A 154 61.358 2.814 52.291 1.00 0.00 ATOM 1203 OD2 ASP A 154 60.603 1.733 54.077 1.00 0.00 ATOM 1204 O ASP A 154 62.953 5.362 51.488 1.00 0.00 ATOM 1205 C ASP A 154 63.097 4.899 52.627 1.00 0.00 ATOM 1206 N ALA A 155 64.165 4.178 52.996 1.00 0.00 ATOM 1207 CA ALA A 155 65.304 3.929 52.100 1.00 0.00 ATOM 1208 CB ALA A 155 66.463 3.258 52.850 1.00 0.00 ATOM 1209 O ALA A 155 65.485 3.245 49.815 1.00 0.00 ATOM 1210 C ALA A 155 64.883 3.109 50.881 1.00 0.00 ATOM 1211 N ALA A 156 63.833 2.281 51.027 1.00 0.00 ATOM 1212 CA ALA A 156 63.360 1.482 49.893 1.00 0.00 ATOM 1213 CB ALA A 156 62.850 0.096 50.357 1.00 0.00 ATOM 1214 O ALA A 156 61.576 1.598 48.257 1.00 0.00 ATOM 1215 C ALA A 156 62.287 2.226 49.075 1.00 0.00 ATOM 1216 N SER A 157 62.174 3.546 49.298 1.00 0.00 ATOM 1217 CA SER A 157 61.151 4.396 48.647 1.00 0.00 ATOM 1218 CB SER A 157 61.368 4.418 47.114 1.00 0.00 ATOM 1219 OG SER A 157 62.605 5.055 46.781 1.00 0.00 ATOM 1220 O SER A 157 58.774 4.188 48.233 1.00 0.00 ATOM 1221 C SER A 157 59.713 3.957 48.992 1.00 0.00 ATOM 1222 N ARG A 158 59.533 3.304 50.131 1.00 0.00 ATOM 1223 CA ARG A 158 58.182 2.968 50.600 1.00 0.00 ATOM 1224 CB ARG A 158 58.230 1.629 51.331 1.00 0.00 ATOM 1225 CG ARG A 158 56.914 1.177 51.917 1.00 0.00 ATOM 1226 CD ARG A 158 57.113 -0.174 52.576 1.00 0.00 ATOM 1227 NE ARG A 158 55.939 -0.643 53.311 1.00 0.00 ATOM 1228 CZ ARG A 158 55.121 -1.608 52.897 1.00 0.00 ATOM 1229 NH1 ARG A 158 55.316 -2.202 51.725 1.00 0.00 ATOM 1230 NH2 ARG A 158 54.104 -1.986 53.669 1.00 0.00 ATOM 1231 O ARG A 158 58.314 4.443 52.537 1.00 0.00 ATOM 1232 C ARG A 158 57.650 4.099 51.537 1.00 0.00 ATOM 1233 N PRO A 159 56.473 4.677 51.210 1.00 0.00 ATOM 1234 CA PRO A 159 55.916 5.776 52.007 1.00 0.00 ATOM 1235 CB PRO A 159 54.526 6.031 51.358 1.00 0.00 ATOM 1236 CG PRO A 159 54.600 5.447 50.033 1.00 0.00 ATOM 1237 CD PRO A 159 55.566 4.281 50.104 1.00 0.00 ATOM 1238 O PRO A 159 55.209 4.139 53.568 1.00 0.00 ATOM 1239 C PRO A 159 55.669 5.262 53.416 1.00 0.00 ATOM 1240 N TYR A 160 55.963 6.045 54.443 1.00 0.00 ATOM 1241 CA TYR A 160 55.527 5.661 55.783 1.00 0.00 ATOM 1242 CB TYR A 160 56.244 6.513 56.814 1.00 0.00 ATOM 1243 CG TYR A 160 57.746 6.372 56.806 1.00 0.00 ATOM 1244 CD1 TYR A 160 58.365 5.264 57.384 1.00 0.00 ATOM 1245 CD2 TYR A 160 58.555 7.376 56.263 1.00 0.00 ATOM 1246 CE1 TYR A 160 59.769 5.148 57.422 1.00 0.00 ATOM 1247 CE2 TYR A 160 59.945 7.276 56.297 1.00 0.00 ATOM 1248 CZ TYR A 160 60.548 6.163 56.874 1.00 0.00 ATOM 1249 OH TYR A 160 61.923 6.053 56.906 1.00 0.00 ATOM 1250 O TYR A 160 53.436 5.013 56.833 1.00 0.00 ATOM 1251 C TYR A 160 54.006 5.776 56.038 1.00 0.00 ATOM 1252 N ALA A 161 53.351 6.739 55.388 1.00 0.00 ATOM 1253 CA ALA A 161 51.937 6.931 55.575 1.00 0.00 ATOM 1254 CB ALA A 161 51.523 8.333 55.114 1.00 0.00 ATOM 1255 O ALA A 161 51.704 5.169 53.936 1.00 0.00 ATOM 1256 C ALA A 161 51.160 5.852 54.821 1.00 0.00 ATOM 1257 N ASP A 162 49.898 5.680 55.209 1.00 0.00 ATOM 1258 CA ASP A 162 48.995 4.745 54.560 1.00 0.00 ATOM 1259 CB ASP A 162 47.862 4.367 55.530 1.00 0.00 ATOM 1260 CG ASP A 162 46.848 3.391 54.920 1.00 0.00 ATOM 1261 OD1 ASP A 162 47.230 2.286 54.529 1.00 0.00 ATOM 1262 OD2 ASP A 162 45.660 3.743 54.824 1.00 0.00 ATOM 1263 O ASP A 162 47.620 6.314 53.451 1.00 0.00 ATOM 1264 C ASP A 162 48.417 5.410 53.323 1.00 0.00 ATOM 1265 N VAL A 163 48.782 4.940 52.129 1.00 0.00 ATOM 1266 CA VAL A 163 48.246 5.545 50.886 1.00 0.00 ATOM 1267 CB VAL A 163 49.337 5.980 49.871 1.00 0.00 ATOM 1268 CG1 VAL A 163 48.714 6.717 48.637 1.00 0.00 ATOM 1269 CG2 VAL A 163 50.390 6.862 50.548 1.00 0.00 ATOM 1270 O VAL A 163 47.753 3.541 49.610 1.00 0.00 ATOM 1271 C VAL A 163 47.319 4.530 50.253 1.00 0.00 ATOM 1272 N ARG A 164 46.031 4.762 50.443 1.00 0.00 ATOM 1273 CA ARG A 164 45.064 3.693 50.246 1.00 0.00 ATOM 1274 CB ARG A 164 44.311 3.507 51.563 1.00 0.00 ATOM 1275 CG ARG A 164 43.355 2.318 51.639 1.00 0.00 ATOM 1276 CD ARG A 164 44.084 0.976 51.773 1.00 0.00 ATOM 1277 NE ARG A 164 45.051 0.886 52.892 1.00 0.00 ATOM 1278 CZ ARG A 164 45.528 -0.265 53.373 1.00 0.00 ATOM 1279 NH1 ARG A 164 45.086 -1.434 52.880 1.00 0.00 ATOM 1280 NH2 ARG A 164 46.398 -0.265 54.381 1.00 0.00 ATOM 1281 O ARG A 164 43.496 5.094 49.028 1.00 0.00 ATOM 1282 C ARG A 164 44.088 3.990 49.088 1.00 0.00 ATOM 1283 N VAL A 165 43.900 3.006 48.204 1.00 0.00 ATOM 1284 CA VAL A 165 42.836 3.064 47.191 1.00 0.00 ATOM 1285 CB VAL A 165 43.112 2.172 45.957 1.00 0.00 ATOM 1286 CG1 VAL A 165 41.987 2.267 44.937 1.00 0.00 ATOM 1287 CG2 VAL A 165 44.419 2.599 45.257 1.00 0.00 ATOM 1288 O VAL A 165 41.324 1.412 48.088 1.00 0.00 ATOM 1289 C VAL A 165 41.575 2.610 47.915 1.00 0.00 ATOM 1290 N ILE A 166 40.776 3.576 48.352 1.00 0.00 ATOM 1291 CA ILE A 166 39.630 3.234 49.212 1.00 0.00 ATOM 1292 CB ILE A 166 39.276 4.426 50.180 1.00 0.00 ATOM 1293 CG1 ILE A 166 38.653 3.905 51.471 1.00 0.00 ATOM 1294 CG2 ILE A 166 38.461 5.540 49.496 1.00 0.00 ATOM 1295 CD1 ILE A 166 39.677 3.199 52.361 1.00 0.00 ATOM 1296 O ILE A 166 37.543 2.068 48.869 1.00 0.00 ATOM 1297 C ILE A 166 38.451 2.762 48.375 1.00 0.00 ATOM 1298 N ASP A 167 38.452 3.154 47.095 1.00 0.00 ATOM 1299 CA ASP A 167 37.384 2.732 46.208 1.00 0.00 ATOM 1300 CB ASP A 167 36.107 3.581 46.383 1.00 0.00 ATOM 1301 CG ASP A 167 34.876 2.924 45.741 1.00 0.00 ATOM 1302 OD1 ASP A 167 34.890 1.699 45.496 1.00 0.00 ATOM 1303 OD2 ASP A 167 33.922 3.651 45.409 1.00 0.00 ATOM 1304 O ASP A 167 38.995 3.497 44.605 1.00 0.00 ATOM 1305 C ASP A 167 37.971 2.834 44.817 1.00 0.00 ATOM 1306 N CYS A 168 37.379 2.129 43.881 1.00 0.00 ATOM 1307 CA CYS A 168 37.811 2.217 42.487 1.00 0.00 ATOM 1308 CB CYS A 168 39.110 1.444 42.261 1.00 0.00 ATOM 1309 SG CYS A 168 39.122 -0.276 42.883 1.00 0.00 ATOM 1310 O CYS A 168 35.807 0.937 42.252 1.00 0.00 ATOM 1311 C CYS A 168 36.674 1.602 41.681 1.00 0.00 ATOM 1312 N GLY A 169 36.663 1.827 40.373 1.00 0.00 ATOM 1313 CA GLY A 169 35.597 1.268 39.575 1.00 0.00 ATOM 1314 O GLY A 169 36.537 2.606 37.856 1.00 0.00 ATOM 1315 C GLY A 169 35.749 1.696 38.150 1.00 0.00 ATOM 1316 N VAL A 170 34.957 1.068 37.277 1.00 0.00 ATOM 1317 CA VAL A 170 34.939 1.372 35.839 1.00 0.00 ATOM 1318 CB VAL A 170 34.653 0.030 35.097 1.00 0.00 ATOM 1319 CG1 VAL A 170 34.293 0.236 33.597 1.00 0.00 ATOM 1320 CG2 VAL A 170 35.784 -0.933 35.342 1.00 0.00 ATOM 1321 O VAL A 170 32.735 2.211 36.240 1.00 0.00 ATOM 1322 C VAL A 170 33.785 2.327 35.587 1.00 0.00 ATOM 1323 N LEU A 171 33.987 3.301 34.692 1.00 0.00 ATOM 1324 CA LEU A 171 32.952 4.281 34.404 1.00 0.00 ATOM 1325 CB LEU A 171 33.592 5.616 34.028 1.00 0.00 ATOM 1326 CG LEU A 171 33.960 6.446 35.256 1.00 0.00 ATOM 1327 CD1 LEU A 171 35.299 6.109 35.818 1.00 0.00 ATOM 1328 CD2 LEU A 171 33.945 7.912 34.850 1.00 0.00 ATOM 1329 O LEU A 171 32.594 2.920 32.518 1.00 0.00 ATOM 1330 C LEU A 171 32.119 3.776 33.252 1.00 0.00 ATOM 1331 N ALA A 172 30.922 4.339 33.065 1.00 0.00 ATOM 1332 CA ALA A 172 29.988 3.863 32.027 1.00 0.00 ATOM 1333 CB ALA A 172 28.625 4.527 32.178 1.00 0.00 ATOM 1334 O ALA A 172 30.673 5.198 30.175 1.00 0.00 ATOM 1335 C ALA A 172 30.507 4.067 30.600 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 T0346.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.948 # GDT_score = -89.680 # GDT_score(maxd=8.000,maxw=2.900)= -90.729 # GDT_score(maxd=8.000,maxw=3.200)= -89.701 # GDT_score(maxd=8.000,maxw=3.500)= -88.449 # GDT_score(maxd=10.000,maxw=3.800)= -89.076 # GDT_score(maxd=10.000,maxw=4.000)= -88.151 # GDT_score(maxd=10.000,maxw=4.200)= -87.153 # GDT_score(maxd=12.000,maxw=4.300)= -88.389 # GDT_score(maxd=12.000,maxw=4.500)= -87.416 # GDT_score(maxd=12.000,maxw=4.700)= -86.347 # GDT_score(maxd=14.000,maxw=5.200)= -85.086 # GDT_score(maxd=14.000,maxw=5.500)= -82.911 # command:# ReadConformPDB reading from PDB file T0346.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.948 # GDT_score = -90.262 # GDT_score(maxd=8.000,maxw=2.900)= -91.000 # GDT_score(maxd=8.000,maxw=3.200)= -90.194 # GDT_score(maxd=8.000,maxw=3.500)= -89.072 # GDT_score(maxd=10.000,maxw=3.800)= -89.639 # GDT_score(maxd=10.000,maxw=4.000)= -88.753 # GDT_score(maxd=10.000,maxw=4.200)= -87.680 # GDT_score(maxd=12.000,maxw=4.300)= -88.946 # GDT_score(maxd=12.000,maxw=4.500)= -87.886 # GDT_score(maxd=12.000,maxw=4.700)= -86.609 # GDT_score(maxd=14.000,maxw=5.200)= -84.956 # GDT_score(maxd=14.000,maxw=5.500)= -82.403 # command:# ReadConformPDB reading from PDB file T0346.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0346.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0346.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0346 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 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0346.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0346.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try1-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try1-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try1-opt2.unpack.gromacs0.repack-nonPC.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try2-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try2-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try2-opt2.unpack.gromacs0.repack-nonPC.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0.repack-nonPC.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try3-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try3-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try3-opt2.unpack.gromacs0.repack-nonPC.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0346.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try3-1yndA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try3-1yndA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try4-1dywA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try4-1dywA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try4-1dywA.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try4-1dywA.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try4-1yndA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try4-1yndA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try4-1yndA.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try4-1yndA.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try4-2rmcA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try4-2rmcA # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1363938030.pdb -s /var/tmp/to_scwrl_1363938030.seq -o /var/tmp/from_scwrl_1363938030.pdb > /var/tmp/scwrl_1363938030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363938030.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1685156780.pdb -s /var/tmp/to_scwrl_1685156780.seq -o /var/tmp/from_scwrl_1685156780.pdb > /var/tmp/scwrl_1685156780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685156780.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1759711312.pdb -s /var/tmp/to_scwrl_1759711312.seq -o /var/tmp/from_scwrl_1759711312.pdb > /var/tmp/scwrl_1759711312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1759711312.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1797791302.pdb -s /var/tmp/to_scwrl_1797791302.seq -o /var/tmp/from_scwrl_1797791302.pdb > /var/tmp/scwrl_1797791302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1797791302.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_363497101.pdb -s /var/tmp/to_scwrl_363497101.seq -o /var/tmp/from_scwrl_363497101.pdb > /var/tmp/scwrl_363497101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363497101.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1779750047.pdb -s /var/tmp/to_scwrl_1779750047.seq -o /var/tmp/from_scwrl_1779750047.pdb > /var/tmp/scwrl_1779750047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779750047.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1318616336.pdb -s /var/tmp/to_scwrl_1318616336.seq -o /var/tmp/from_scwrl_1318616336.pdb > /var/tmp/scwrl_1318616336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1318616336.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1995430125.pdb -s /var/tmp/to_scwrl_1995430125.seq -o /var/tmp/from_scwrl_1995430125.pdb > /var/tmp/scwrl_1995430125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1995430125.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1331844580.pdb -s /var/tmp/to_scwrl_1331844580.seq -o /var/tmp/from_scwrl_1331844580.pdb > /var/tmp/scwrl_1331844580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1331844580.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 # Found a chain break before 168 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_374828385.pdb -s /var/tmp/to_scwrl_374828385.seq -o /var/tmp/from_scwrl_374828385.pdb > /var/tmp/scwrl_374828385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374828385.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_515486112.pdb -s /var/tmp/to_scwrl_515486112.seq -o /var/tmp/from_scwrl_515486112.pdb > /var/tmp/scwrl_515486112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_515486112.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1315002496.pdb -s /var/tmp/to_scwrl_1315002496.seq -o /var/tmp/from_scwrl_1315002496.pdb > /var/tmp/scwrl_1315002496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315002496.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_625647920.pdb -s /var/tmp/to_scwrl_625647920.seq -o /var/tmp/from_scwrl_625647920.pdb > /var/tmp/scwrl_625647920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625647920.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 # Found a chain break before 168 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1213399599.pdb -s /var/tmp/to_scwrl_1213399599.seq -o /var/tmp/from_scwrl_1213399599.pdb > /var/tmp/scwrl_1213399599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1213399599.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_913626453.pdb -s /var/tmp/to_scwrl_913626453.seq -o /var/tmp/from_scwrl_913626453.pdb > /var/tmp/scwrl_913626453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_913626453.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1699723487.pdb -s /var/tmp/to_scwrl_1699723487.seq -o /var/tmp/from_scwrl_1699723487.pdb > /var/tmp/scwrl_1699723487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1699723487.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 110 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1872702038.pdb -s /var/tmp/to_scwrl_1872702038.seq -o /var/tmp/from_scwrl_1872702038.pdb > /var/tmp/scwrl_1872702038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1872702038.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 124 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1168660217.pdb -s /var/tmp/to_scwrl_1168660217.seq -o /var/tmp/from_scwrl_1168660217.pdb > /var/tmp/scwrl_1168660217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1168660217.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 150 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_827845761.pdb -s /var/tmp/to_scwrl_827845761.seq -o /var/tmp/from_scwrl_827845761.pdb > /var/tmp/scwrl_827845761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827845761.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 124 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_127715466.pdb -s /var/tmp/to_scwrl_127715466.seq -o /var/tmp/from_scwrl_127715466.pdb > /var/tmp/scwrl_127715466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127715466.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 171 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1303371107.pdb -s /var/tmp/to_scwrl_1303371107.seq -o /var/tmp/from_scwrl_1303371107.pdb > /var/tmp/scwrl_1303371107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1303371107.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 167 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1153913166.pdb -s /var/tmp/to_scwrl_1153913166.seq -o /var/tmp/from_scwrl_1153913166.pdb > /var/tmp/scwrl_1153913166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1153913166.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 165 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_220051733.pdb -s /var/tmp/to_scwrl_220051733.seq -o /var/tmp/from_scwrl_220051733.pdb > /var/tmp/scwrl_220051733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_220051733.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 127 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1993740140.pdb -s /var/tmp/to_scwrl_1993740140.seq -o /var/tmp/from_scwrl_1993740140.pdb > /var/tmp/scwrl_1993740140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1993740140.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 152 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_86638917.pdb -s /var/tmp/to_scwrl_86638917.seq -o /var/tmp/from_scwrl_86638917.pdb > /var/tmp/scwrl_86638917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86638917.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 157 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_152816358.pdb -s /var/tmp/to_scwrl_152816358.seq -o /var/tmp/from_scwrl_152816358.pdb > /var/tmp/scwrl_152816358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_152816358.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 121 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1964457095.pdb -s /var/tmp/to_scwrl_1964457095.seq -o /var/tmp/from_scwrl_1964457095.pdb > /var/tmp/scwrl_1964457095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1964457095.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1096556287.pdb -s /var/tmp/to_scwrl_1096556287.seq -o /var/tmp/from_scwrl_1096556287.pdb > /var/tmp/scwrl_1096556287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1096556287.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1059726671.pdb -s /var/tmp/to_scwrl_1059726671.seq -o /var/tmp/from_scwrl_1059726671.pdb > /var/tmp/scwrl_1059726671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059726671.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1692508428.pdb -s /var/tmp/to_scwrl_1692508428.seq -o /var/tmp/from_scwrl_1692508428.pdb > /var/tmp/scwrl_1692508428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692508428.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_699014832.pdb -s /var/tmp/to_scwrl_699014832.seq -o /var/tmp/from_scwrl_699014832.pdb > /var/tmp/scwrl_699014832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_699014832.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_276181055.pdb -s /var/tmp/to_scwrl_276181055.seq -o /var/tmp/from_scwrl_276181055.pdb > /var/tmp/scwrl_276181055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_276181055.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1230181561.pdb -s /var/tmp/to_scwrl_1230181561.seq -o /var/tmp/from_scwrl_1230181561.pdb > /var/tmp/scwrl_1230181561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1230181561.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_311242497.pdb -s /var/tmp/to_scwrl_311242497.seq -o /var/tmp/from_scwrl_311242497.pdb > /var/tmp/scwrl_311242497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311242497.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 169 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2073972357.pdb -s /var/tmp/to_scwrl_2073972357.seq -o /var/tmp/from_scwrl_2073972357.pdb > /var/tmp/scwrl_2073972357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073972357.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1593678663.pdb -s /var/tmp/to_scwrl_1593678663.seq -o /var/tmp/from_scwrl_1593678663.pdb > /var/tmp/scwrl_1593678663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593678663.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2090992544.pdb -s /var/tmp/to_scwrl_2090992544.seq -o /var/tmp/from_scwrl_2090992544.pdb > /var/tmp/scwrl_2090992544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2090992544.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1245105046.pdb -s /var/tmp/to_scwrl_1245105046.seq -o /var/tmp/from_scwrl_1245105046.pdb > /var/tmp/scwrl_1245105046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245105046.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1441625141.pdb -s /var/tmp/to_scwrl_1441625141.seq -o /var/tmp/from_scwrl_1441625141.pdb > /var/tmp/scwrl_1441625141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441625141.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 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1275353478.pdb -s /var/tmp/to_scwrl_1275353478.seq -o /var/tmp/from_scwrl_1275353478.pdb > /var/tmp/scwrl_1275353478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1275353478.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1619933431.pdb -s /var/tmp/to_scwrl_1619933431.seq -o /var/tmp/from_scwrl_1619933431.pdb > /var/tmp/scwrl_1619933431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619933431.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1957111253.pdb -s /var/tmp/to_scwrl_1957111253.seq -o /var/tmp/from_scwrl_1957111253.pdb > /var/tmp/scwrl_1957111253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1957111253.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 T0346 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_442872328.pdb -s /var/tmp/to_scwrl_442872328.seq -o /var/tmp/from_scwrl_442872328.pdb > /var/tmp/scwrl_442872328.log Error: can't open any of /var/tmp/from_scwrl_442872328.pdb or /var/tmp/from_scwrl_442872328_b.pdb or /var/tmp/from_scwrl_442872328_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 T0346 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_98097704.pdb -s /var/tmp/to_scwrl_98097704.seq -o /var/tmp/from_scwrl_98097704.pdb > /var/tmp/scwrl_98097704.log Error: can't open any of /var/tmp/from_scwrl_98097704.pdb or /var/tmp/from_scwrl_98097704_b.pdb or /var/tmp/from_scwrl_98097704_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 T0346 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1023027206.pdb -s /var/tmp/to_scwrl_1023027206.seq -o /var/tmp/from_scwrl_1023027206.pdb > /var/tmp/scwrl_1023027206.log Error: can't open any of /var/tmp/from_scwrl_1023027206.pdb or /var/tmp/from_scwrl_1023027206_b.pdb or /var/tmp/from_scwrl_1023027206_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 T0346 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1356498781.pdb -s /var/tmp/to_scwrl_1356498781.seq -o /var/tmp/from_scwrl_1356498781.pdb > /var/tmp/scwrl_1356498781.log Error: can't open any of /var/tmp/from_scwrl_1356498781.pdb or /var/tmp/from_scwrl_1356498781_b.pdb or /var/tmp/from_scwrl_1356498781_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 T0346 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1797821192.pdb -s /var/tmp/to_scwrl_1797821192.seq -o /var/tmp/from_scwrl_1797821192.pdb > /var/tmp/scwrl_1797821192.log Error: can't open any of /var/tmp/from_scwrl_1797821192.pdb or /var/tmp/from_scwrl_1797821192_b.pdb or /var/tmp/from_scwrl_1797821192_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 158 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_748245597.pdb -s /var/tmp/to_scwrl_748245597.seq -o /var/tmp/from_scwrl_748245597.pdb > /var/tmp/scwrl_748245597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_748245597.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 168 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_377675352.pdb -s /var/tmp/to_scwrl_377675352.seq -o /var/tmp/from_scwrl_377675352.pdb > /var/tmp/scwrl_377675352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377675352.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_478183306.pdb -s /var/tmp/to_scwrl_478183306.seq -o /var/tmp/from_scwrl_478183306.pdb > /var/tmp/scwrl_478183306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478183306.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_875961064.pdb -s /var/tmp/to_scwrl_875961064.seq -o /var/tmp/from_scwrl_875961064.pdb > /var/tmp/scwrl_875961064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875961064.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1681046459.pdb -s /var/tmp/to_scwrl_1681046459.seq -o /var/tmp/from_scwrl_1681046459.pdb > /var/tmp/scwrl_1681046459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681046459.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 169 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1632096473.pdb -s /var/tmp/to_scwrl_1632096473.seq -o /var/tmp/from_scwrl_1632096473.pdb > /var/tmp/scwrl_1632096473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632096473.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 169 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1096012796.pdb -s /var/tmp/to_scwrl_1096012796.seq -o /var/tmp/from_scwrl_1096012796.pdb > /var/tmp/scwrl_1096012796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1096012796.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1527302952.pdb -s /var/tmp/to_scwrl_1527302952.seq -o /var/tmp/from_scwrl_1527302952.pdb > /var/tmp/scwrl_1527302952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1527302952.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1718735390.pdb -s /var/tmp/to_scwrl_1718735390.seq -o /var/tmp/from_scwrl_1718735390.pdb > /var/tmp/scwrl_1718735390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718735390.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1248829155.pdb -s /var/tmp/to_scwrl_1248829155.seq -o /var/tmp/from_scwrl_1248829155.pdb > /var/tmp/scwrl_1248829155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1248829155.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 156 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1344276400.pdb -s /var/tmp/to_scwrl_1344276400.seq -o /var/tmp/from_scwrl_1344276400.pdb > /var/tmp/scwrl_1344276400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344276400.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 168 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_667808031.pdb -s /var/tmp/to_scwrl_667808031.seq -o /var/tmp/from_scwrl_667808031.pdb > /var/tmp/scwrl_667808031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667808031.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 155 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_161072179.pdb -s /var/tmp/to_scwrl_161072179.seq -o /var/tmp/from_scwrl_161072179.pdb > /var/tmp/scwrl_161072179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161072179.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 124 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_889301182.pdb -s /var/tmp/to_scwrl_889301182.seq -o /var/tmp/from_scwrl_889301182.pdb > /var/tmp/scwrl_889301182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889301182.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 150 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1366822862.pdb -s /var/tmp/to_scwrl_1366822862.seq -o /var/tmp/from_scwrl_1366822862.pdb > /var/tmp/scwrl_1366822862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1366822862.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 T0346 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_437253234.pdb -s /var/tmp/to_scwrl_437253234.seq -o /var/tmp/from_scwrl_437253234.pdb > /var/tmp/scwrl_437253234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_437253234.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 T0346 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2119482744.pdb -s /var/tmp/to_scwrl_2119482744.seq -o /var/tmp/from_scwrl_2119482744.pdb > /var/tmp/scwrl_2119482744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2119482744.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 T0346 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1678065359.pdb -s /var/tmp/to_scwrl_1678065359.seq -o /var/tmp/from_scwrl_1678065359.pdb > /var/tmp/scwrl_1678065359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678065359.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 T0346 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_363741944.pdb -s /var/tmp/to_scwrl_363741944.seq -o /var/tmp/from_scwrl_363741944.pdb > /var/tmp/scwrl_363741944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363741944.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1565677760.pdb -s /var/tmp/to_scwrl_1565677760.seq -o /var/tmp/from_scwrl_1565677760.pdb > /var/tmp/scwrl_1565677760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1565677760.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 T0346 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1621574257.pdb -s /var/tmp/to_scwrl_1621574257.seq -o /var/tmp/from_scwrl_1621574257.pdb > /var/tmp/scwrl_1621574257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621574257.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 T0346 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1608846990.pdb -s /var/tmp/to_scwrl_1608846990.seq -o /var/tmp/from_scwrl_1608846990.pdb > /var/tmp/scwrl_1608846990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608846990.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 T0346 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_859819255.pdb -s /var/tmp/to_scwrl_859819255.seq -o /var/tmp/from_scwrl_859819255.pdb > /var/tmp/scwrl_859819255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_859819255.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 T0346 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_749444089.pdb -s /var/tmp/to_scwrl_749444089.seq -o /var/tmp/from_scwrl_749444089.pdb > /var/tmp/scwrl_749444089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749444089.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1081296775.pdb -s /var/tmp/to_scwrl_1081296775.seq -o /var/tmp/from_scwrl_1081296775.pdb > /var/tmp/scwrl_1081296775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081296775.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 153 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_669446862.pdb -s /var/tmp/to_scwrl_669446862.seq -o /var/tmp/from_scwrl_669446862.pdb > /var/tmp/scwrl_669446862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669446862.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 171 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1192316416.pdb -s /var/tmp/to_scwrl_1192316416.seq -o /var/tmp/from_scwrl_1192316416.pdb > /var/tmp/scwrl_1192316416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192316416.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 153 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1179394479.pdb -s /var/tmp/to_scwrl_1179394479.seq -o /var/tmp/from_scwrl_1179394479.pdb > /var/tmp/scwrl_1179394479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1179394479.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 147 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1692474067.pdb -s /var/tmp/to_scwrl_1692474067.seq -o /var/tmp/from_scwrl_1692474067.pdb > /var/tmp/scwrl_1692474067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692474067.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 135 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_401331551.pdb -s /var/tmp/to_scwrl_401331551.seq -o /var/tmp/from_scwrl_401331551.pdb > /var/tmp/scwrl_401331551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_401331551.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_829732025.pdb -s /var/tmp/to_scwrl_829732025.seq -o /var/tmp/from_scwrl_829732025.pdb > /var/tmp/scwrl_829732025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_829732025.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_293236018.pdb -s /var/tmp/to_scwrl_293236018.seq -o /var/tmp/from_scwrl_293236018.pdb > /var/tmp/scwrl_293236018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_293236018.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 T0346 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_779006904.pdb -s /var/tmp/to_scwrl_779006904.seq -o /var/tmp/from_scwrl_779006904.pdb > /var/tmp/scwrl_779006904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_779006904.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1307915331.pdb -s /var/tmp/to_scwrl_1307915331.seq -o /var/tmp/from_scwrl_1307915331.pdb > /var/tmp/scwrl_1307915331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1307915331.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1169197081.pdb -s /var/tmp/to_scwrl_1169197081.seq -o /var/tmp/from_scwrl_1169197081.pdb > /var/tmp/scwrl_1169197081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1169197081.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_312569716.pdb -s /var/tmp/to_scwrl_312569716.seq -o /var/tmp/from_scwrl_312569716.pdb > /var/tmp/scwrl_312569716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_312569716.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_792528158.pdb -s /var/tmp/to_scwrl_792528158.seq -o /var/tmp/from_scwrl_792528158.pdb > /var/tmp/scwrl_792528158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792528158.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 T0346 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_117726231.pdb -s /var/tmp/to_scwrl_117726231.seq -o /var/tmp/from_scwrl_117726231.pdb > /var/tmp/scwrl_117726231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_117726231.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 T0346 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1839872669.pdb -s /var/tmp/to_scwrl_1839872669.seq -o /var/tmp/from_scwrl_1839872669.pdb > /var/tmp/scwrl_1839872669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1839872669.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_363779901.pdb -s /var/tmp/to_scwrl_363779901.seq -o /var/tmp/from_scwrl_363779901.pdb > /var/tmp/scwrl_363779901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363779901.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1366555386.pdb -s /var/tmp/to_scwrl_1366555386.seq -o /var/tmp/from_scwrl_1366555386.pdb > /var/tmp/scwrl_1366555386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1366555386.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 167 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1036665423.pdb -s /var/tmp/to_scwrl_1036665423.seq -o /var/tmp/from_scwrl_1036665423.pdb > /var/tmp/scwrl_1036665423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1036665423.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 167 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1031587932.pdb -s /var/tmp/to_scwrl_1031587932.seq -o /var/tmp/from_scwrl_1031587932.pdb > /var/tmp/scwrl_1031587932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031587932.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 160 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1527627566.pdb -s /var/tmp/to_scwrl_1527627566.seq -o /var/tmp/from_scwrl_1527627566.pdb > /var/tmp/scwrl_1527627566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1527627566.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 170 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1925966605.pdb -s /var/tmp/to_scwrl_1925966605.seq -o /var/tmp/from_scwrl_1925966605.pdb > /var/tmp/scwrl_1925966605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925966605.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_250927148.pdb -s /var/tmp/to_scwrl_250927148.seq -o /var/tmp/from_scwrl_250927148.pdb > /var/tmp/scwrl_250927148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_250927148.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1964880800.pdb -s /var/tmp/to_scwrl_1964880800.seq -o /var/tmp/from_scwrl_1964880800.pdb > /var/tmp/scwrl_1964880800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1964880800.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 164 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1897965702.pdb -s /var/tmp/to_scwrl_1897965702.seq -o /var/tmp/from_scwrl_1897965702.pdb > /var/tmp/scwrl_1897965702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897965702.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1928992507.pdb -s /var/tmp/to_scwrl_1928992507.seq -o /var/tmp/from_scwrl_1928992507.pdb > /var/tmp/scwrl_1928992507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1928992507.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_181139098.pdb -s /var/tmp/to_scwrl_181139098.seq -o /var/tmp/from_scwrl_181139098.pdb > /var/tmp/scwrl_181139098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_181139098.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 155 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1316159815.pdb -s /var/tmp/to_scwrl_1316159815.seq -o /var/tmp/from_scwrl_1316159815.pdb > /var/tmp/scwrl_1316159815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1316159815.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 153 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1403083117.pdb -s /var/tmp/to_scwrl_1403083117.seq -o /var/tmp/from_scwrl_1403083117.pdb > /var/tmp/scwrl_1403083117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403083117.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 153 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1789986088.pdb -s /var/tmp/to_scwrl_1789986088.seq -o /var/tmp/from_scwrl_1789986088.pdb > /var/tmp/scwrl_1789986088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789986088.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_28495423.pdb -s /var/tmp/to_scwrl_28495423.seq -o /var/tmp/from_scwrl_28495423.pdb > /var/tmp/scwrl_28495423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_28495423.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_5043559.pdb -s /var/tmp/to_scwrl_5043559.seq -o /var/tmp/from_scwrl_5043559.pdb > /var/tmp/scwrl_5043559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_5043559.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_723799217.pdb -s /var/tmp/to_scwrl_723799217.seq -o /var/tmp/from_scwrl_723799217.pdb > /var/tmp/scwrl_723799217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_723799217.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_697942285.pdb -s /var/tmp/to_scwrl_697942285.seq -o /var/tmp/from_scwrl_697942285.pdb > /var/tmp/scwrl_697942285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_697942285.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1197359976.pdb -s /var/tmp/to_scwrl_1197359976.seq -o /var/tmp/from_scwrl_1197359976.pdb > /var/tmp/scwrl_1197359976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1197359976.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1903193697.pdb -s /var/tmp/to_scwrl_1903193697.seq -o /var/tmp/from_scwrl_1903193697.pdb > /var/tmp/scwrl_1903193697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903193697.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 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_242932706.pdb -s /var/tmp/to_scwrl_242932706.seq -o /var/tmp/from_scwrl_242932706.pdb > /var/tmp/scwrl_242932706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242932706.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 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1598691527.pdb -s /var/tmp/to_scwrl_1598691527.seq -o /var/tmp/from_scwrl_1598691527.pdb > /var/tmp/scwrl_1598691527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598691527.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 T0346 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_585442075.pdb -s /var/tmp/to_scwrl_585442075.seq -o /var/tmp/from_scwrl_585442075.pdb > /var/tmp/scwrl_585442075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585442075.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_536168724.pdb -s /var/tmp/to_scwrl_536168724.seq -o /var/tmp/from_scwrl_536168724.pdb > /var/tmp/scwrl_536168724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_536168724.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_230214784.pdb -s /var/tmp/to_scwrl_230214784.seq -o /var/tmp/from_scwrl_230214784.pdb > /var/tmp/scwrl_230214784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230214784.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 159 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1893357406.pdb -s /var/tmp/to_scwrl_1893357406.seq -o /var/tmp/from_scwrl_1893357406.pdb > /var/tmp/scwrl_1893357406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1893357406.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 156 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1705365805.pdb -s /var/tmp/to_scwrl_1705365805.seq -o /var/tmp/from_scwrl_1705365805.pdb > /var/tmp/scwrl_1705365805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1705365805.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 164 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_542784501.pdb -s /var/tmp/to_scwrl_542784501.seq -o /var/tmp/from_scwrl_542784501.pdb > /var/tmp/scwrl_542784501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542784501.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 122 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_538401917.pdb -s /var/tmp/to_scwrl_538401917.seq -o /var/tmp/from_scwrl_538401917.pdb > /var/tmp/scwrl_538401917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_538401917.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 163 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1823092036.pdb -s /var/tmp/to_scwrl_1823092036.seq -o /var/tmp/from_scwrl_1823092036.pdb > /var/tmp/scwrl_1823092036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1823092036.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 93 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_235173523.pdb -s /var/tmp/to_scwrl_235173523.seq -o /var/tmp/from_scwrl_235173523.pdb > /var/tmp/scwrl_235173523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235173523.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 159 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_902181818.pdb -s /var/tmp/to_scwrl_902181818.seq -o /var/tmp/from_scwrl_902181818.pdb > /var/tmp/scwrl_902181818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902181818.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 157 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1042163777.pdb -s /var/tmp/to_scwrl_1042163777.seq -o /var/tmp/from_scwrl_1042163777.pdb > /var/tmp/scwrl_1042163777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1042163777.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 164 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1271838945.pdb -s /var/tmp/to_scwrl_1271838945.seq -o /var/tmp/from_scwrl_1271838945.pdb > /var/tmp/scwrl_1271838945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1271838945.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 171 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1933769750.pdb -s /var/tmp/to_scwrl_1933769750.seq -o /var/tmp/from_scwrl_1933769750.pdb > /var/tmp/scwrl_1933769750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933769750.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 171 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_422307696.pdb -s /var/tmp/to_scwrl_422307696.seq -o /var/tmp/from_scwrl_422307696.pdb > /var/tmp/scwrl_422307696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422307696.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 171 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1050321904.pdb -s /var/tmp/to_scwrl_1050321904.seq -o /var/tmp/from_scwrl_1050321904.pdb > /var/tmp/scwrl_1050321904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050321904.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_37213251.pdb -s /var/tmp/to_scwrl_37213251.seq -o /var/tmp/from_scwrl_37213251.pdb > /var/tmp/scwrl_37213251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_37213251.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_239704849.pdb -s /var/tmp/to_scwrl_239704849.seq -o /var/tmp/from_scwrl_239704849.pdb > /var/tmp/scwrl_239704849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_239704849.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 155 ; scwrl -i /var/tmp/to_scwrl_800803959.pdb -s /var/tmp/to_scwrl_800803959.seq -o /var/tmp/from_scwrl_800803959.pdb > /var/tmp/scwrl_800803959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_800803959.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 155 ; scwrl -i /var/tmp/to_scwrl_1966205758.pdb -s /var/tmp/to_scwrl_1966205758.seq -o /var/tmp/from_scwrl_1966205758.pdb > /var/tmp/scwrl_1966205758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966205758.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 155 ; scwrl -i /var/tmp/to_scwrl_420843947.pdb -s /var/tmp/to_scwrl_420843947.seq -o /var/tmp/from_scwrl_420843947.pdb > /var/tmp/scwrl_420843947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420843947.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 155 ; scwrl -i /var/tmp/to_scwrl_2116963774.pdb -s /var/tmp/to_scwrl_2116963774.seq -o /var/tmp/from_scwrl_2116963774.pdb > /var/tmp/scwrl_2116963774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116963774.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 167 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1221805229.pdb -s /var/tmp/to_scwrl_1221805229.seq -o /var/tmp/from_scwrl_1221805229.pdb > /var/tmp/scwrl_1221805229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1221805229.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_63346389.pdb -s /var/tmp/to_scwrl_63346389.seq -o /var/tmp/from_scwrl_63346389.pdb > /var/tmp/scwrl_63346389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_63346389.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 164 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2145459198.pdb -s /var/tmp/to_scwrl_2145459198.seq -o /var/tmp/from_scwrl_2145459198.pdb > /var/tmp/scwrl_2145459198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2145459198.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 123 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1226848788.pdb -s /var/tmp/to_scwrl_1226848788.seq -o /var/tmp/from_scwrl_1226848788.pdb > /var/tmp/scwrl_1226848788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1226848788.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 164 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_787145606.pdb -s /var/tmp/to_scwrl_787145606.seq -o /var/tmp/from_scwrl_787145606.pdb > /var/tmp/scwrl_787145606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_787145606.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_695917836.pdb -s /var/tmp/to_scwrl_695917836.seq -o /var/tmp/from_scwrl_695917836.pdb > /var/tmp/scwrl_695917836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695917836.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_276725118.pdb -s /var/tmp/to_scwrl_276725118.seq -o /var/tmp/from_scwrl_276725118.pdb > /var/tmp/scwrl_276725118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_276725118.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 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_542855656.pdb -s /var/tmp/to_scwrl_542855656.seq -o /var/tmp/from_scwrl_542855656.pdb > /var/tmp/scwrl_542855656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542855656.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_938850542.pdb -s /var/tmp/to_scwrl_938850542.seq -o /var/tmp/from_scwrl_938850542.pdb > /var/tmp/scwrl_938850542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_938850542.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 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1875416646.pdb -s /var/tmp/to_scwrl_1875416646.seq -o /var/tmp/from_scwrl_1875416646.pdb > /var/tmp/scwrl_1875416646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1875416646.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 T0346 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1128297731.pdb -s /var/tmp/to_scwrl_1128297731.seq -o /var/tmp/from_scwrl_1128297731.pdb > /var/tmp/scwrl_1128297731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128297731.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 # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1475019265.pdb -s /var/tmp/to_scwrl_1475019265.seq -o /var/tmp/from_scwrl_1475019265.pdb > /var/tmp/scwrl_1475019265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475019265.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 171 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2105631430.pdb -s /var/tmp/to_scwrl_2105631430.seq -o /var/tmp/from_scwrl_2105631430.pdb > /var/tmp/scwrl_2105631430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105631430.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 171 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_874171491.pdb -s /var/tmp/to_scwrl_874171491.seq -o /var/tmp/from_scwrl_874171491.pdb > /var/tmp/scwrl_874171491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_874171491.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 # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1032901424.pdb -s /var/tmp/to_scwrl_1032901424.seq -o /var/tmp/from_scwrl_1032901424.pdb > /var/tmp/scwrl_1032901424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1032901424.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 # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_500932284.pdb -s /var/tmp/to_scwrl_500932284.seq -o /var/tmp/from_scwrl_500932284.pdb > /var/tmp/scwrl_500932284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_500932284.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1412573408.pdb -s /var/tmp/to_scwrl_1412573408.seq -o /var/tmp/from_scwrl_1412573408.pdb > /var/tmp/scwrl_1412573408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1412573408.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_708509814.pdb -s /var/tmp/to_scwrl_708509814.seq -o /var/tmp/from_scwrl_708509814.pdb > /var/tmp/scwrl_708509814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708509814.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_736105807.pdb -s /var/tmp/to_scwrl_736105807.seq -o /var/tmp/from_scwrl_736105807.pdb > /var/tmp/scwrl_736105807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736105807.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_167271579.pdb -s /var/tmp/to_scwrl_167271579.seq -o /var/tmp/from_scwrl_167271579.pdb > /var/tmp/scwrl_167271579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_167271579.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1750673590.pdb -s /var/tmp/to_scwrl_1750673590.seq -o /var/tmp/from_scwrl_1750673590.pdb > /var/tmp/scwrl_1750673590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750673590.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 164 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2007944753.pdb -s /var/tmp/to_scwrl_2007944753.seq -o /var/tmp/from_scwrl_2007944753.pdb > /var/tmp/scwrl_2007944753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007944753.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 154 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2101041329.pdb -s /var/tmp/to_scwrl_2101041329.seq -o /var/tmp/from_scwrl_2101041329.pdb > /var/tmp/scwrl_2101041329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101041329.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 164 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_25497639.pdb -s /var/tmp/to_scwrl_25497639.seq -o /var/tmp/from_scwrl_25497639.pdb > /var/tmp/scwrl_25497639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25497639.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 140 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_910783010.pdb -s /var/tmp/to_scwrl_910783010.seq -o /var/tmp/from_scwrl_910783010.pdb > /var/tmp/scwrl_910783010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_910783010.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 163 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2138254580.pdb -s /var/tmp/to_scwrl_2138254580.seq -o /var/tmp/from_scwrl_2138254580.pdb > /var/tmp/scwrl_2138254580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138254580.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 167 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_265202488.pdb -s /var/tmp/to_scwrl_265202488.seq -o /var/tmp/from_scwrl_265202488.pdb > /var/tmp/scwrl_265202488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265202488.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 158 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1711586969.pdb -s /var/tmp/to_scwrl_1711586969.seq -o /var/tmp/from_scwrl_1711586969.pdb > /var/tmp/scwrl_1711586969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1711586969.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 164 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1956976692.pdb -s /var/tmp/to_scwrl_1956976692.seq -o /var/tmp/from_scwrl_1956976692.pdb > /var/tmp/scwrl_1956976692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956976692.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 155 ; scwrl -i /var/tmp/to_scwrl_686046436.pdb -s /var/tmp/to_scwrl_686046436.seq -o /var/tmp/from_scwrl_686046436.pdb > /var/tmp/scwrl_686046436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_686046436.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 158 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1681067096.pdb -s /var/tmp/to_scwrl_1681067096.seq -o /var/tmp/from_scwrl_1681067096.pdb > /var/tmp/scwrl_1681067096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681067096.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 155 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1031298275.pdb -s /var/tmp/to_scwrl_1031298275.seq -o /var/tmp/from_scwrl_1031298275.pdb > /var/tmp/scwrl_1031298275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031298275.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 124 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_749392825.pdb -s /var/tmp/to_scwrl_749392825.seq -o /var/tmp/from_scwrl_749392825.pdb > /var/tmp/scwrl_749392825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749392825.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 164 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1679042647.pdb -s /var/tmp/to_scwrl_1679042647.seq -o /var/tmp/from_scwrl_1679042647.pdb > /var/tmp/scwrl_1679042647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1679042647.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 124 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_110663416.pdb -s /var/tmp/to_scwrl_110663416.seq -o /var/tmp/from_scwrl_110663416.pdb > /var/tmp/scwrl_110663416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110663416.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 164 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1536538430.pdb -s /var/tmp/to_scwrl_1536538430.seq -o /var/tmp/from_scwrl_1536538430.pdb > /var/tmp/scwrl_1536538430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1536538430.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 163 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_227476837.pdb -s /var/tmp/to_scwrl_227476837.seq -o /var/tmp/from_scwrl_227476837.pdb > /var/tmp/scwrl_227476837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227476837.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 163 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_387388535.pdb -s /var/tmp/to_scwrl_387388535.seq -o /var/tmp/from_scwrl_387388535.pdb > /var/tmp/scwrl_387388535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_387388535.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 163 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2079394087.pdb -s /var/tmp/to_scwrl_2079394087.seq -o /var/tmp/from_scwrl_2079394087.pdb > /var/tmp/scwrl_2079394087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2079394087.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 163 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1166327378.pdb -s /var/tmp/to_scwrl_1166327378.seq -o /var/tmp/from_scwrl_1166327378.pdb > /var/tmp/scwrl_1166327378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1166327378.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 163 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_115321534.pdb -s /var/tmp/to_scwrl_115321534.seq -o /var/tmp/from_scwrl_115321534.pdb > /var/tmp/scwrl_115321534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115321534.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 101 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1060208172.pdb -s /var/tmp/to_scwrl_1060208172.seq -o /var/tmp/from_scwrl_1060208172.pdb > /var/tmp/scwrl_1060208172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060208172.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 127 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_493862998.pdb -s /var/tmp/to_scwrl_493862998.seq -o /var/tmp/from_scwrl_493862998.pdb > /var/tmp/scwrl_493862998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493862998.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 163 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_73469317.pdb -s /var/tmp/to_scwrl_73469317.seq -o /var/tmp/from_scwrl_73469317.pdb > /var/tmp/scwrl_73469317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_73469317.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 155 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1934379662.pdb -s /var/tmp/to_scwrl_1934379662.seq -o /var/tmp/from_scwrl_1934379662.pdb > /var/tmp/scwrl_1934379662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934379662.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 112 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1526764421.pdb -s /var/tmp/to_scwrl_1526764421.seq -o /var/tmp/from_scwrl_1526764421.pdb > /var/tmp/scwrl_1526764421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526764421.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 T0346 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_574401602.pdb -s /var/tmp/to_scwrl_574401602.seq -o /var/tmp/from_scwrl_574401602.pdb > /var/tmp/scwrl_574401602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574401602.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 T0346 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1199469423.pdb -s /var/tmp/to_scwrl_1199469423.seq -o /var/tmp/from_scwrl_1199469423.pdb > /var/tmp/scwrl_1199469423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1199469423.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 T0346 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_87790588.pdb -s /var/tmp/to_scwrl_87790588.seq -o /var/tmp/from_scwrl_87790588.pdb > /var/tmp/scwrl_87790588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_87790588.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 T0346 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1310507408.pdb -s /var/tmp/to_scwrl_1310507408.seq -o /var/tmp/from_scwrl_1310507408.pdb > /var/tmp/scwrl_1310507408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1310507408.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1366741003.pdb -s /var/tmp/to_scwrl_1366741003.seq -o /var/tmp/from_scwrl_1366741003.pdb > /var/tmp/scwrl_1366741003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1366741003.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1838464178.pdb -s /var/tmp/to_scwrl_1838464178.seq -o /var/tmp/from_scwrl_1838464178.pdb > /var/tmp/scwrl_1838464178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1838464178.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1170968514.pdb -s /var/tmp/to_scwrl_1170968514.seq -o /var/tmp/from_scwrl_1170968514.pdb > /var/tmp/scwrl_1170968514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1170968514.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1320298685.pdb -s /var/tmp/to_scwrl_1320298685.seq -o /var/tmp/from_scwrl_1320298685.pdb > /var/tmp/scwrl_1320298685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1320298685.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1863961817.pdb -s /var/tmp/to_scwrl_1863961817.seq -o /var/tmp/from_scwrl_1863961817.pdb > /var/tmp/scwrl_1863961817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1863961817.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 T0346 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2081751525.pdb -s /var/tmp/to_scwrl_2081751525.seq -o /var/tmp/from_scwrl_2081751525.pdb > /var/tmp/scwrl_2081751525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081751525.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 164 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1311069619.pdb -s /var/tmp/to_scwrl_1311069619.seq -o /var/tmp/from_scwrl_1311069619.pdb > /var/tmp/scwrl_1311069619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1311069619.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 T0346 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2129164306.pdb -s /var/tmp/to_scwrl_2129164306.seq -o /var/tmp/from_scwrl_2129164306.pdb > /var/tmp/scwrl_2129164306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2129164306.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 T0346 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1645854847.pdb -s /var/tmp/to_scwrl_1645854847.seq -o /var/tmp/from_scwrl_1645854847.pdb > /var/tmp/scwrl_1645854847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645854847.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 T0346 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1120562664.pdb -s /var/tmp/to_scwrl_1120562664.seq -o /var/tmp/from_scwrl_1120562664.pdb > /var/tmp/scwrl_1120562664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120562664.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 T0346 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_667727095.pdb -s /var/tmp/to_scwrl_667727095.seq -o /var/tmp/from_scwrl_667727095.pdb > /var/tmp/scwrl_667727095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667727095.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 140 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1179438296.pdb -s /var/tmp/to_scwrl_1179438296.seq -o /var/tmp/from_scwrl_1179438296.pdb > /var/tmp/scwrl_1179438296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1179438296.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 163 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_4377292.pdb -s /var/tmp/to_scwrl_4377292.seq -o /var/tmp/from_scwrl_4377292.pdb > /var/tmp/scwrl_4377292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4377292.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 163 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1417119919.pdb -s /var/tmp/to_scwrl_1417119919.seq -o /var/tmp/from_scwrl_1417119919.pdb > /var/tmp/scwrl_1417119919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417119919.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 154 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_710997298.pdb -s /var/tmp/to_scwrl_710997298.seq -o /var/tmp/from_scwrl_710997298.pdb > /var/tmp/scwrl_710997298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710997298.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 111 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_115040708.pdb -s /var/tmp/to_scwrl_115040708.seq -o /var/tmp/from_scwrl_115040708.pdb > /var/tmp/scwrl_115040708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115040708.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 140 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_806174703.pdb -s /var/tmp/to_scwrl_806174703.seq -o /var/tmp/from_scwrl_806174703.pdb > /var/tmp/scwrl_806174703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806174703.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 163 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_938474135.pdb -s /var/tmp/to_scwrl_938474135.seq -o /var/tmp/from_scwrl_938474135.pdb > /var/tmp/scwrl_938474135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_938474135.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 154 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_502429243.pdb -s /var/tmp/to_scwrl_502429243.seq -o /var/tmp/from_scwrl_502429243.pdb > /var/tmp/scwrl_502429243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_502429243.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 108 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_738085143.pdb -s /var/tmp/to_scwrl_738085143.seq -o /var/tmp/from_scwrl_738085143.pdb > /var/tmp/scwrl_738085143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738085143.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 115 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2104801513.pdb -s /var/tmp/to_scwrl_2104801513.seq -o /var/tmp/from_scwrl_2104801513.pdb > /var/tmp/scwrl_2104801513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2104801513.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 155 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_617750777.pdb -s /var/tmp/to_scwrl_617750777.seq -o /var/tmp/from_scwrl_617750777.pdb > /var/tmp/scwrl_617750777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_617750777.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 115 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1798293314.pdb -s /var/tmp/to_scwrl_1798293314.seq -o /var/tmp/from_scwrl_1798293314.pdb > /var/tmp/scwrl_1798293314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1798293314.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 163 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_451180864.pdb -s /var/tmp/to_scwrl_451180864.seq -o /var/tmp/from_scwrl_451180864.pdb > /var/tmp/scwrl_451180864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_451180864.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 111 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_691220095.pdb -s /var/tmp/to_scwrl_691220095.seq -o /var/tmp/from_scwrl_691220095.pdb > /var/tmp/scwrl_691220095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_691220095.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 163 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1585189330.pdb -s /var/tmp/to_scwrl_1585189330.seq -o /var/tmp/from_scwrl_1585189330.pdb > /var/tmp/scwrl_1585189330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1585189330.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 T0346 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1977945286.pdb -s /var/tmp/to_scwrl_1977945286.seq -o /var/tmp/from_scwrl_1977945286.pdb > /var/tmp/scwrl_1977945286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1977945286.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 T0346 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1265621696.pdb -s /var/tmp/to_scwrl_1265621696.seq -o /var/tmp/from_scwrl_1265621696.pdb > /var/tmp/scwrl_1265621696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1265621696.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_637175107.pdb -s /var/tmp/to_scwrl_637175107.seq -o /var/tmp/from_scwrl_637175107.pdb > /var/tmp/scwrl_637175107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_637175107.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2065735874.pdb -s /var/tmp/to_scwrl_2065735874.seq -o /var/tmp/from_scwrl_2065735874.pdb > /var/tmp/scwrl_2065735874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2065735874.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 T0346 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_428645458.pdb -s /var/tmp/to_scwrl_428645458.seq -o /var/tmp/from_scwrl_428645458.pdb > /var/tmp/scwrl_428645458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428645458.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2003916110.pdb -s /var/tmp/to_scwrl_2003916110.seq -o /var/tmp/from_scwrl_2003916110.pdb > /var/tmp/scwrl_2003916110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2003916110.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 T0346 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1756716406.pdb -s /var/tmp/to_scwrl_1756716406.seq -o /var/tmp/from_scwrl_1756716406.pdb > /var/tmp/scwrl_1756716406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1756716406.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 T0346 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1599613973.pdb -s /var/tmp/to_scwrl_1599613973.seq -o /var/tmp/from_scwrl_1599613973.pdb > /var/tmp/scwrl_1599613973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599613973.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1176731149.pdb -s /var/tmp/to_scwrl_1176731149.seq -o /var/tmp/from_scwrl_1176731149.pdb > /var/tmp/scwrl_1176731149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176731149.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1473194576.pdb -s /var/tmp/to_scwrl_1473194576.seq -o /var/tmp/from_scwrl_1473194576.pdb > /var/tmp/scwrl_1473194576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1473194576.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 T0346 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1533881851.pdb -s /var/tmp/to_scwrl_1533881851.seq -o /var/tmp/from_scwrl_1533881851.pdb > /var/tmp/scwrl_1533881851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1533881851.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 155 ; scwrl -i /var/tmp/to_scwrl_340317122.pdb -s /var/tmp/to_scwrl_340317122.seq -o /var/tmp/from_scwrl_340317122.pdb > /var/tmp/scwrl_340317122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_340317122.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 116 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1454875235.pdb -s /var/tmp/to_scwrl_1454875235.seq -o /var/tmp/from_scwrl_1454875235.pdb > /var/tmp/scwrl_1454875235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1454875235.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 129 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1032253052.pdb -s /var/tmp/to_scwrl_1032253052.seq -o /var/tmp/from_scwrl_1032253052.pdb > /var/tmp/scwrl_1032253052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1032253052.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 77 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1460879786.pdb -s /var/tmp/to_scwrl_1460879786.seq -o /var/tmp/from_scwrl_1460879786.pdb > /var/tmp/scwrl_1460879786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1460879786.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 155 ; scwrl -i /var/tmp/to_scwrl_2122602330.pdb -s /var/tmp/to_scwrl_2122602330.seq -o /var/tmp/from_scwrl_2122602330.pdb > /var/tmp/scwrl_2122602330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122602330.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_64207701.pdb -s /var/tmp/to_scwrl_64207701.seq -o /var/tmp/from_scwrl_64207701.pdb > /var/tmp/scwrl_64207701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_64207701.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 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1465257078.pdb -s /var/tmp/to_scwrl_1465257078.seq -o /var/tmp/from_scwrl_1465257078.pdb > /var/tmp/scwrl_1465257078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1465257078.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 T0346 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1392238602.pdb -s /var/tmp/to_scwrl_1392238602.seq -o /var/tmp/from_scwrl_1392238602.pdb > /var/tmp/scwrl_1392238602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392238602.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 T0346 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_775204999.pdb -s /var/tmp/to_scwrl_775204999.seq -o /var/tmp/from_scwrl_775204999.pdb > /var/tmp/scwrl_775204999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_775204999.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 T0346 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1580297786.pdb -s /var/tmp/to_scwrl_1580297786.seq -o /var/tmp/from_scwrl_1580297786.pdb > /var/tmp/scwrl_1580297786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580297786.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_50929659.pdb -s /var/tmp/to_scwrl_50929659.seq -o /var/tmp/from_scwrl_50929659.pdb > /var/tmp/scwrl_50929659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_50929659.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1713679133.pdb -s /var/tmp/to_scwrl_1713679133.seq -o /var/tmp/from_scwrl_1713679133.pdb > /var/tmp/scwrl_1713679133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1713679133.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2082727030.pdb -s /var/tmp/to_scwrl_2082727030.seq -o /var/tmp/from_scwrl_2082727030.pdb > /var/tmp/scwrl_2082727030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2082727030.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_789014802.pdb -s /var/tmp/to_scwrl_789014802.seq -o /var/tmp/from_scwrl_789014802.pdb > /var/tmp/scwrl_789014802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_789014802.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1670997000.pdb -s /var/tmp/to_scwrl_1670997000.seq -o /var/tmp/from_scwrl_1670997000.pdb > /var/tmp/scwrl_1670997000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670997000.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_552994160.pdb -s /var/tmp/to_scwrl_552994160.seq -o /var/tmp/from_scwrl_552994160.pdb > /var/tmp/scwrl_552994160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_552994160.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0346 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_439824470.pdb -s /var/tmp/to_scwrl_439824470.seq -o /var/tmp/from_scwrl_439824470.pdb > /var/tmp/scwrl_439824470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_439824470.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2122177864.pdb -s /var/tmp/to_scwrl_2122177864.seq -o /var/tmp/from_scwrl_2122177864.pdb > /var/tmp/scwrl_2122177864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122177864.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 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1244214254.pdb -s /var/tmp/to_scwrl_1244214254.seq -o /var/tmp/from_scwrl_1244214254.pdb > /var/tmp/scwrl_1244214254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1244214254.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 127 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2025013800.pdb -s /var/tmp/to_scwrl_2025013800.seq -o /var/tmp/from_scwrl_2025013800.pdb > /var/tmp/scwrl_2025013800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2025013800.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 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1952639503.pdb -s /var/tmp/to_scwrl_1952639503.seq -o /var/tmp/from_scwrl_1952639503.pdb > /var/tmp/scwrl_1952639503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1952639503.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 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_362352304.pdb -s /var/tmp/to_scwrl_362352304.seq -o /var/tmp/from_scwrl_362352304.pdb > /var/tmp/scwrl_362352304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362352304.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 169 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_514705260.pdb -s /var/tmp/to_scwrl_514705260.seq -o /var/tmp/from_scwrl_514705260.pdb > /var/tmp/scwrl_514705260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514705260.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 169 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1870891731.pdb -s /var/tmp/to_scwrl_1870891731.seq -o /var/tmp/from_scwrl_1870891731.pdb > /var/tmp/scwrl_1870891731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1870891731.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_790997763.pdb -s /var/tmp/to_scwrl_790997763.seq -o /var/tmp/from_scwrl_790997763.pdb > /var/tmp/scwrl_790997763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790997763.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 T0346 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 155 ; scwrl -i /var/tmp/to_scwrl_371137724.pdb -s /var/tmp/to_scwrl_371137724.seq -o /var/tmp/from_scwrl_371137724.pdb > /var/tmp/scwrl_371137724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_371137724.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 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1480124490.pdb -s /var/tmp/to_scwrl_1480124490.seq -o /var/tmp/from_scwrl_1480124490.pdb > /var/tmp/scwrl_1480124490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480124490.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 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_243128089.pdb -s /var/tmp/to_scwrl_243128089.seq -o /var/tmp/from_scwrl_243128089.pdb > /var/tmp/scwrl_243128089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_243128089.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1547868873.pdb -s /var/tmp/to_scwrl_1547868873.seq -o /var/tmp/from_scwrl_1547868873.pdb > /var/tmp/scwrl_1547868873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1547868873.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 T0346 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_805835420.pdb -s /var/tmp/to_scwrl_805835420.seq -o /var/tmp/from_scwrl_805835420.pdb > /var/tmp/scwrl_805835420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_805835420.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 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1777009940.pdb -s /var/tmp/to_scwrl_1777009940.seq -o /var/tmp/from_scwrl_1777009940.pdb > /var/tmp/scwrl_1777009940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777009940.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1888185995.pdb -s /var/tmp/to_scwrl_1888185995.seq -o /var/tmp/from_scwrl_1888185995.pdb > /var/tmp/scwrl_1888185995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1888185995.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 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_113227009.pdb -s /var/tmp/to_scwrl_113227009.seq -o /var/tmp/from_scwrl_113227009.pdb > /var/tmp/scwrl_113227009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113227009.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_661779345.pdb -s /var/tmp/to_scwrl_661779345.seq -o /var/tmp/from_scwrl_661779345.pdb > /var/tmp/scwrl_661779345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_661779345.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 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1201582134.pdb -s /var/tmp/to_scwrl_1201582134.seq -o /var/tmp/from_scwrl_1201582134.pdb > /var/tmp/scwrl_1201582134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201582134.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 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_88345692.pdb -s /var/tmp/to_scwrl_88345692.seq -o /var/tmp/from_scwrl_88345692.pdb > /var/tmp/scwrl_88345692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_88345692.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 T0346 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_725987046.pdb -s /var/tmp/to_scwrl_725987046.seq -o /var/tmp/from_scwrl_725987046.pdb > /var/tmp/scwrl_725987046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_725987046.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 T0346 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_519355566.pdb -s /var/tmp/to_scwrl_519355566.seq -o /var/tmp/from_scwrl_519355566.pdb > /var/tmp/scwrl_519355566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519355566.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 T0346 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1480584295.pdb -s /var/tmp/to_scwrl_1480584295.seq -o /var/tmp/from_scwrl_1480584295.pdb > /var/tmp/scwrl_1480584295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480584295.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 T0346 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1501192045.pdb -s /var/tmp/to_scwrl_1501192045.seq -o /var/tmp/from_scwrl_1501192045.pdb > /var/tmp/scwrl_1501192045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1501192045.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 T0346 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_2099653352.pdb -s /var/tmp/to_scwrl_2099653352.seq -o /var/tmp/from_scwrl_2099653352.pdb > /var/tmp/scwrl_2099653352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099653352.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 T0346 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1531513954.pdb -s /var/tmp/to_scwrl_1531513954.seq -o /var/tmp/from_scwrl_1531513954.pdb > /var/tmp/scwrl_1531513954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1531513954.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl -i /var/tmp/to_scwrl_1067387532.pdb -s /var/tmp/to_scwrl_1067387532.seq -o /var/tmp/from_scwrl_1067387532.pdb > /var/tmp/scwrl_1067387532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067387532.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 44.448 sec, elapsed time= 718.225 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 367.499 real_cost = -319.216 shub_TS1 costs 370.431 real_cost = -319.824 nFOLD_TS5-scwrl costs 554.852 real_cost = 361.306 nFOLD_TS5 costs 22239.934 real_cost = 447.203 nFOLD_TS4-scwrl costs 590.450 real_cost = 393.815 nFOLD_TS4 costs 19227.983 real_cost = 477.177 nFOLD_TS3-scwrl costs 555.774 real_cost = -92.657 nFOLD_TS3 costs 7910.784 real_cost = -38.047 nFOLD_TS2-scwrl costs 456.737 real_cost = -87.563 nFOLD_TS2 costs 11976.422 real_cost = 12.073 nFOLD_TS1-scwrl costs 421.274 real_cost = -280.970 nFOLD_TS1 costs 19369.677 real_cost = -178.909 mGen-3D_TS1-scwrl costs 419.397 real_cost = -272.234 mGen-3D_TS1 costs 19369.649 real_cost = -178.507 keasar-server_TS5-scwrl costs 369.312 real_cost = -244.015 keasar-server_TS5 costs 365.607 real_cost = -236.302 keasar-server_TS4-scwrl costs 360.841 real_cost = -328.992 keasar-server_TS4 costs 355.076 real_cost = -327.288 keasar-server_TS3-scwrl costs 362.116 real_cost = -274.234 keasar-server_TS3 costs 360.856 real_cost = -270.180 keasar-server_TS2-scwrl costs 363.837 real_cost = -261.741 keasar-server_TS2 costs 364.072 real_cost = -271.625 keasar-server_TS1-scwrl costs 362.056 real_cost = -260.134 keasar-server_TS1 costs 361.592 real_cost = -262.951 karypis.srv_TS5-scwrl costs 429.820 real_cost = -205.526 karypis.srv_TS5 costs 428.972 real_cost = -205.499 karypis.srv_TS4-scwrl costs 359.712 real_cost = -282.216 karypis.srv_TS4 costs 359.123 real_cost = -282.080 karypis.srv_TS3-scwrl costs 354.894 real_cost = -278.339 karypis.srv_TS3 costs 354.084 real_cost = -278.141 karypis.srv_TS2-scwrl costs 348.772 real_cost = -305.983 karypis.srv_TS2 costs 348.282 real_cost = -305.990 karypis.srv_TS1-scwrl costs 337.935 real_cost = -370.075 karypis.srv_TS1 costs 338.607 real_cost = -370.863 karypis.srv.4_TS5-scwrl costs 551.940 real_cost = 280.097 karypis.srv.4_TS5 costs 553.329 real_cost = 279.439 karypis.srv.4_TS4-scwrl costs 536.999 real_cost = 314.700 karypis.srv.4_TS4 costs 535.947 real_cost = 314.826 karypis.srv.4_TS2-scwrl costs 538.018 real_cost = 269.658 karypis.srv.4_TS2 costs 537.383 real_cost = 269.622 karypis.srv.4_TS1-scwrl costs 578.087 real_cost = 263.538 karypis.srv.4_TS1 costs 578.006 real_cost = 264.376 karypis.srv.2_TS5-scwrl costs 341.614 real_cost = -365.071 karypis.srv.2_TS5 costs 341.138 real_cost = -365.106 karypis.srv.2_TS4-scwrl costs 349.032 real_cost = -363.422 karypis.srv.2_TS4 costs 346.071 real_cost = -364.023 karypis.srv.2_TS3-scwrl costs 345.337 real_cost = -361.012 karypis.srv.2_TS3 costs 345.039 real_cost = -361.030 karypis.srv.2_TS2-scwrl costs 345.895 real_cost = -359.350 karypis.srv.2_TS2 costs 345.486 real_cost = -359.366 karypis.srv.2_TS1-scwrl costs 345.895 real_cost = -359.350 karypis.srv.2_TS1 costs 345.895 real_cost = -359.350 gtg_AL5-scwrl costs 460.959 real_cost = -265.250 gtg_AL5 costs 17997.756 real_cost = -125.975 gtg_AL4-scwrl costs 451.156 real_cost = -302.227 gtg_AL4 costs 51078.749 real_cost = -149.898 gtg_AL3-scwrl costs 426.421 real_cost = -304.806 gtg_AL3 costs 16332.703 real_cost = -152.228 gtg_AL2-scwrl costs 421.174 real_cost = -311.017 gtg_AL2 costs 47251.222 real_cost = -149.925 gtg_AL1-scwrl costs 351.131 real_cost = -374.209 gtg_AL1 costs 36486.558 real_cost = -254.447 forecast-s_AL5-scwrl costs 1195.992 real_cost = 531.469 forecast-s_AL5 costs 11606.907 real_cost = 558.161 forecast-s_AL4-scwrl costs 906.406 real_cost = 440.329 forecast-s_AL4 costs 62929.130 real_cost = 516.993 forecast-s_AL3-scwrl costs 722.999 real_cost = 385.909 forecast-s_AL3 costs 44772.801 real_cost = 495.479 forecast-s_AL2-scwrl costs 549.483 real_cost = -41.385 forecast-s_AL2 costs 26277.538 real_cost = 58.433 forecast-s_AL1-scwrl costs 417.788 real_cost = -292.518 forecast-s_AL1 costs 26672.864 real_cost = -161.551 beautshotbase_TS1-scwrl costs 362.171 real_cost = -335.662 beautshotbase_TS1 costs 362.979 real_cost = -340.208 beautshot_TS1-scwrl costs 364.971 real_cost = -332.043 beautshot_TS1 costs 367.709 real_cost = -332.620 Zhang-Server_TS5-scwrl costs 338.542 real_cost = -368.189 Zhang-Server_TS5 costs 338.542 real_cost = -368.189 Zhang-Server_TS4-scwrl costs 335.685 real_cost = -374.320 Zhang-Server_TS4 costs 335.685 real_cost = -374.320 Zhang-Server_TS3-scwrl costs 336.016 real_cost = -373.171 Zhang-Server_TS3 costs 336.016 real_cost = -373.171 Zhang-Server_TS2-scwrl costs 335.810 real_cost = -366.149 Zhang-Server_TS2 costs 335.810 real_cost = -366.149 Zhang-Server_TS1-scwrl costs 339.050 real_cost = -372.553 Zhang-Server_TS1 costs 339.050 real_cost = -372.553 UNI-EID_sfst_AL5-scwrl costs 398.811 real_cost = -271.972 UNI-EID_sfst_AL5 costs 46167.182 real_cost = -149.157 UNI-EID_sfst_AL4-scwrl costs 364.976 real_cost = -376.812 UNI-EID_sfst_AL4 costs 20395.398 real_cost = -255.085 UNI-EID_sfst_AL3-scwrl costs 347.943 real_cost = -385.504 UNI-EID_sfst_AL3 costs 33319.128 real_cost = -267.366 UNI-EID_sfst_AL2-scwrl costs 377.049 real_cost = -305.071 UNI-EID_sfst_AL2 costs 36571.850 real_cost = -169.481 UNI-EID_sfst_AL1-scwrl costs 442.086 real_cost = -291.512 UNI-EID_sfst_AL1 costs 34071.544 real_cost = -177.926 UNI-EID_expm_TS1-scwrl costs 987.761 real_cost = -254.402 UNI-EID_expm_TS1 costs 15911.180 real_cost = -254.502 UNI-EID_bnmx_TS5-scwrl costs 398.811 real_cost = -271.972 UNI-EID_bnmx_TS5 costs 46167.182 real_cost = -149.157 UNI-EID_bnmx_TS4-scwrl costs 352.292 real_cost = -383.202 UNI-EID_bnmx_TS4 costs 23366.594 real_cost = -259.193 UNI-EID_bnmx_TS3-scwrl costs 347.943 real_cost = -385.504 UNI-EID_bnmx_TS3 costs 33319.128 real_cost = -267.366 UNI-EID_bnmx_TS2-scwrl costs 377.049 real_cost = -305.071 UNI-EID_bnmx_TS2 costs 36571.850 real_cost = -169.481 UNI-EID_bnmx_TS1-scwrl costs 442.086 real_cost = -291.512 UNI-EID_bnmx_TS1 costs 34071.544 real_cost = -177.926 SPARKS2_TS5-scwrl costs 341.467 real_cost = -350.205 SPARKS2_TS5 costs 349.666 real_cost = -362.144 SPARKS2_TS4-scwrl costs 359.245 real_cost = -139.340 SPARKS2_TS4 costs 363.271 real_cost = -133.227 SPARKS2_TS3-scwrl costs 369.465 real_cost = -98.510 SPARKS2_TS3 costs 377.069 real_cost = -99.121 SPARKS2_TS2-scwrl costs 406.896 real_cost = -111.833 SPARKS2_TS2 costs 404.478 real_cost = -111.088 SPARKS2_TS1-scwrl costs 357.502 real_cost = -269.574 SPARKS2_TS1 costs 366.020 real_cost = -267.547 SP4_TS5-scwrl costs 358.672 real_cost = -121.821 SP4_TS5 costs 364.662 real_cost = -122.773 SP4_TS4-scwrl costs 368.744 real_cost = -95.206 SP4_TS4 costs 376.164 real_cost = -102.341 SP4_TS3-scwrl costs 342.565 real_cost = -348.234 SP4_TS3 costs 346.641 real_cost = -361.349 SP4_TS2-scwrl costs 368.301 real_cost = -127.310 SP4_TS2 costs 371.759 real_cost = -130.492 SP4_TS1-scwrl costs 357.524 real_cost = -275.966 SP4_TS1 costs 366.106 real_cost = -267.850 SP3_TS5-scwrl costs 359.245 real_cost = -139.340 SP3_TS5 costs 363.271 real_cost = -133.227 SP3_TS4-scwrl costs 342.565 real_cost = -348.234 SP3_TS4 costs 346.641 real_cost = -361.349 SP3_TS3-scwrl costs 369.465 real_cost = -98.510 SP3_TS3 costs 377.069 real_cost = -99.121 SP3_TS2-scwrl costs 366.156 real_cost = -132.219 SP3_TS2 costs 374.142 real_cost = -136.002 SP3_TS1-scwrl costs 355.738 real_cost = -264.184 SP3_TS1 costs 363.281 real_cost = -262.045 SAM_T06_server_TS5-scwrl costs 523.324 real_cost = -258.441 SAM_T06_server_TS5 costs 447.197 real_cost = -306.122 SAM_T06_server_TS4-scwrl costs 516.298 real_cost = -234.852 SAM_T06_server_TS4 costs 454.420 real_cost = -266.210 SAM_T06_server_TS3-scwrl costs 429.593 real_cost = -270.225 SAM_T06_server_TS3 costs 395.786 real_cost = -287.646 SAM_T06_server_TS2-scwrl costs 554.540 real_cost = -175.882 SAM_T06_server_TS2 costs 460.011 real_cost = -240.451 SAM_T06_server_TS1-scwrl costs 315.506 real_cost = -379.848 SAM_T06_server_TS1 costs 311.067 real_cost = -377.419 SAM-T99_AL5-scwrl costs 461.150 real_cost = -258.001 SAM-T99_AL5 costs 14824.747 real_cost = -150.312 SAM-T99_AL4-scwrl costs 409.643 real_cost = -302.008 SAM-T99_AL4 costs 37692.059 real_cost = -175.232 SAM-T99_AL3-scwrl costs 411.156 real_cost = -304.599 SAM-T99_AL3 costs 37768.091 real_cost = -171.793 SAM-T99_AL2-scwrl costs 360.822 real_cost = -390.884 SAM-T99_AL2 costs 41384.300 real_cost = -277.931 SAM-T99_AL1-scwrl costs 355.058 real_cost = -375.705 SAM-T99_AL1 costs 33983.104 real_cost = -258.939 SAM-T02_AL5-scwrl costs 360.051 real_cost = -371.796 SAM-T02_AL5 costs 22813.144 real_cost = -249.734 SAM-T02_AL4-scwrl costs 445.440 real_cost = -253.421 SAM-T02_AL4 costs 30210.469 real_cost = -134.304 SAM-T02_AL3-scwrl costs 450.668 real_cost = -296.158 SAM-T02_AL3 costs 30298.620 real_cost = -187.654 SAM-T02_AL2-scwrl costs 426.402 real_cost = -276.629 SAM-T02_AL2 costs 66788.622 real_cost = -146.555 SAM-T02_AL1-scwrl costs 426.705 real_cost = -287.778 SAM-T02_AL1 costs 24654.831 real_cost = -155.195 ROKKY_TS5-scwrl costs 435.594 real_cost = -205.239 ROKKY_TS5 costs 435.200 real_cost = -205.265 ROKKY_TS4-scwrl costs 448.588 real_cost = -190.948 ROKKY_TS4 costs 448.599 real_cost = -193.083 ROKKY_TS3-scwrl costs 455.965 real_cost = -194.815 ROKKY_TS3 costs 456.410 real_cost = -196.642 ROKKY_TS2-scwrl costs 428.947 real_cost = -201.829 ROKKY_TS2 costs 440.409 real_cost = -211.802 ROKKY_TS1-scwrl costs 407.194 real_cost = -207.835 ROKKY_TS1 costs 404.749 real_cost = -213.700 ROBETTA_TS5-scwrl costs 339.046 real_cost = -377.856 ROBETTA_TS5 costs 337.439 real_cost = -387.176 ROBETTA_TS4-scwrl costs 337.760 real_cost = -383.873 ROBETTA_TS4 costs 336.543 real_cost = -390.925 ROBETTA_TS3-scwrl costs 336.979 real_cost = -385.147 ROBETTA_TS3 costs 335.538 real_cost = -394.775 ROBETTA_TS2-scwrl costs 338.944 real_cost = -376.901 ROBETTA_TS2 costs 337.468 real_cost = -386.023 ROBETTA_TS1-scwrl costs 337.020 real_cost = -394.419 ROBETTA_TS1 costs 335.585 real_cost = -404.455 RAPTOR_TS5-scwrl costs 447.026 real_cost = -194.338 RAPTOR_TS5 costs 450.749 real_cost = -205.908 RAPTOR_TS4-scwrl costs 436.788 real_cost = -232.364 RAPTOR_TS4 costs 437.385 real_cost = -234.563 RAPTOR_TS3-scwrl costs 437.604 real_cost = -226.477 RAPTOR_TS3 costs 443.797 real_cost = -216.975 RAPTOR_TS2-scwrl costs 344.761 real_cost = -312.437 RAPTOR_TS2 costs 351.964 real_cost = -325.258 RAPTOR_TS1-scwrl costs 338.599 real_cost = -363.216 RAPTOR_TS1 costs 342.948 real_cost = -371.980 RAPTORESS_TS5-scwrl costs 375.855 real_cost = -179.915 RAPTORESS_TS5 costs 376.767 real_cost = -174.474 RAPTORESS_TS4-scwrl costs 364.173 real_cost = -163.991 RAPTORESS_TS4 costs 368.178 real_cost = -171.788 RAPTORESS_TS3-scwrl costs 373.964 real_cost = -162.112 RAPTORESS_TS3 costs 374.659 real_cost = -161.547 RAPTORESS_TS2-scwrl costs 344.544 real_cost = -291.414 RAPTORESS_TS2 costs 348.281 real_cost = -298.797 RAPTORESS_TS1-scwrl costs 342.416 real_cost = -327.918 RAPTORESS_TS1 costs 347.073 real_cost = -329.069 RAPTOR-ACE_TS5-scwrl costs 338.829 real_cost = -343.135 RAPTOR-ACE_TS5 costs 346.846 real_cost = -357.792 RAPTOR-ACE_TS4-scwrl costs 355.738 real_cost = -264.184 RAPTOR-ACE_TS4 costs 363.281 real_cost = -262.045 RAPTOR-ACE_TS3-scwrl costs 437.736 real_cost = -195.065 RAPTOR-ACE_TS3 costs 435.951 real_cost = -204.767 RAPTOR-ACE_TS2-scwrl costs 342.565 real_cost = -348.234 RAPTOR-ACE_TS2 costs 346.641 real_cost = -361.349 RAPTOR-ACE_TS1-scwrl costs 444.780 real_cost = -193.684 RAPTOR-ACE_TS1 costs 432.408 real_cost = -194.795 Pmodeller6_TS5-scwrl costs 362.340 real_cost = -360.540 Pmodeller6_TS5 costs 362.260 real_cost = -360.545 Pmodeller6_TS4-scwrl costs 337.020 real_cost = -394.419 Pmodeller6_TS4 costs 335.585 real_cost = -404.455 Pmodeller6_TS3-scwrl costs 336.979 real_cost = -385.147 Pmodeller6_TS3 costs 335.538 real_cost = -394.775 Pmodeller6_TS2-scwrl costs 339.046 real_cost = -377.856 Pmodeller6_TS2 costs 337.439 real_cost = -387.176 Pmodeller6_TS1-scwrl costs 337.760 real_cost = -383.873 Pmodeller6_TS1 costs 336.543 real_cost = -390.925 Phyre-2_TS5-scwrl costs 335.404 real_cost = -383.566 Phyre-2_TS5 costs 339.842 real_cost = -380.564 Phyre-2_TS4-scwrl costs 335.404 real_cost = -383.566 Phyre-2_TS4 costs 339.842 real_cost = -380.564 Phyre-2_TS3-scwrl costs 335.799 real_cost = -384.095 Phyre-2_TS3 costs 340.332 real_cost = -381.090 Phyre-2_TS2-scwrl costs 335.799 real_cost = -384.095 Phyre-2_TS2 costs 340.332 real_cost = -381.090 Phyre-2_TS1-scwrl costs 335.404 real_cost = -383.566 Phyre-2_TS1 costs 339.842 real_cost = -380.564 Phyre-1_TS1-scwrl costs 415.763 real_cost = -255.576 Phyre-1_TS1 costs 391.805 real_cost = -257.872 Pcons6_TS5-scwrl costs 418.864 real_cost = -233.106 Pcons6_TS5 costs 418.864 real_cost = -233.106 Pcons6_TS4-scwrl costs 362.340 real_cost = -360.540 Pcons6_TS4 costs 362.260 real_cost = -360.545 Pcons6_TS3-scwrl costs 339.541 real_cost = -368.228 Pcons6_TS3 costs 339.541 real_cost = -368.228 Pcons6_TS2-scwrl costs 354.589 real_cost = -340.445 Pcons6_TS2 costs 353.998 real_cost = -340.524 Pcons6_TS1-scwrl costs 433.942 real_cost = -190.285 Pcons6_TS1 costs 433.256 real_cost = -191.102 PROTINFO_TS5-scwrl costs 340.617 real_cost = -277.332 PROTINFO_TS5 costs 342.534 real_cost = -285.279 PROTINFO_TS4-scwrl costs 332.694 real_cost = -377.473 PROTINFO_TS4 costs 335.770 real_cost = -382.520 PROTINFO_TS3-scwrl costs 333.512 real_cost = -358.620 PROTINFO_TS3 costs 335.318 real_cost = -358.510 PROTINFO_TS2-scwrl costs 331.290 real_cost = -297.194 PROTINFO_TS2 costs 331.437 real_cost = -299.289 PROTINFO_TS1-scwrl costs 342.791 real_cost = -339.609 PROTINFO_TS1 costs 346.583 real_cost = -343.859 PROTINFO-AB_TS5-scwrl costs 360.699 real_cost = -323.463 PROTINFO-AB_TS5 costs 367.692 real_cost = -329.367 PROTINFO-AB_TS4-scwrl costs 361.095 real_cost = -324.789 PROTINFO-AB_TS4 costs 366.219 real_cost = -328.161 PROTINFO-AB_TS3-scwrl costs 356.830 real_cost = -324.762 PROTINFO-AB_TS3 costs 364.215 real_cost = -325.160 PROTINFO-AB_TS2-scwrl costs 361.579 real_cost = -326.977 PROTINFO-AB_TS2 costs 366.435 real_cost = -331.937 PROTINFO-AB_TS1-scwrl costs 358.121 real_cost = -329.591 PROTINFO-AB_TS1 costs 364.397 real_cost = -333.551 NN_PUT_lab_TS1-scwrl costs 357.173 real_cost = -310.501 NN_PUT_lab_TS1 costs 357.425 real_cost = -309.542 MetaTasser_TS3-scwrl costs 482.051 real_cost = -168.988 MetaTasser_TS3 costs 513.366 real_cost = -171.606 MetaTasser_TS2-scwrl costs 461.480 real_cost = -159.918 MetaTasser_TS2 costs 490.186 real_cost = -150.740 MetaTasser_TS1-scwrl costs 419.491 real_cost = -305.540 MetaTasser_TS1 costs 448.465 real_cost = -298.654 Ma-OPUS-server_TS5-scwrl costs 428.393 real_cost = -198.345 Ma-OPUS-server_TS5 costs 421.033 real_cost = -205.329 Ma-OPUS-server_TS4-scwrl costs 378.437 real_cost = -80.587 Ma-OPUS-server_TS4 costs 383.010 real_cost = -71.909 Ma-OPUS-server_TS3-scwrl costs 372.602 real_cost = -83.976 Ma-OPUS-server_TS3 costs 375.630 real_cost = -84.185 Ma-OPUS-server_TS2-scwrl costs 429.994 real_cost = -196.925 Ma-OPUS-server_TS2 costs 435.442 real_cost = -203.460 Ma-OPUS-server_TS1-scwrl costs 340.783 real_cost = -348.464 Ma-OPUS-server_TS1 costs 347.959 real_cost = -370.762 Ma-OPUS-server2_TS5-scwrl costs 503.596 real_cost = 370.732 Ma-OPUS-server2_TS5 costs 515.059 real_cost = 370.787 Ma-OPUS-server2_TS4-scwrl costs 428.393 real_cost = -198.345 Ma-OPUS-server2_TS4 costs 421.033 real_cost = -205.329 Ma-OPUS-server2_TS3-scwrl costs 372.730 real_cost = -68.839 Ma-OPUS-server2_TS3 costs 382.149 real_cost = -69.707 Ma-OPUS-server2_TS2-scwrl costs 372.602 real_cost = -83.976 Ma-OPUS-server2_TS2 costs 375.630 real_cost = -84.185 Ma-OPUS-server2_TS1-scwrl costs 340.783 real_cost = -348.464 Ma-OPUS-server2_TS1 costs 347.959 real_cost = -370.762 LOOPP_TS5-scwrl costs 379.076 real_cost = -225.049 LOOPP_TS5 costs 379.261 real_cost = -226.963 LOOPP_TS4-scwrl costs 395.624 real_cost = -205.519 LOOPP_TS4 costs 386.886 real_cost = -192.255 LOOPP_TS3-scwrl costs 366.857 real_cost = -273.231 LOOPP_TS3 costs 368.868 real_cost = -266.747 LOOPP_TS2-scwrl costs 355.589 real_cost = -336.627 LOOPP_TS2 costs 357.813 real_cost = -322.519 LOOPP_TS1-scwrl costs 357.173 real_cost = -310.501 LOOPP_TS1 costs 357.425 real_cost = -309.542 Huber-Torda-Server_TS5-scwrl costs 399.195 real_cost = -319.839 Huber-Torda-Server_TS5 costs 15407.560 real_cost = -221.900 Huber-Torda-Server_TS4-scwrl costs 412.158 real_cost = -299.928 Huber-Torda-Server_TS4 costs 13951.090 real_cost = -204.770 Huber-Torda-Server_TS3-scwrl costs 355.226 real_cost = -375.920 Huber-Torda-Server_TS3 costs 11760.254 real_cost = -276.715 Huber-Torda-Server_TS2-scwrl costs 882.211 real_cost = -289.530 Huber-Torda-Server_TS2 costs 14308.182 real_cost = -289.301 Huber-Torda-Server_TS1-scwrl costs 347.163 real_cost = -396.032 Huber-Torda-Server_TS1 costs 15225.647 real_cost = -308.785 HHpred3_TS1-scwrl costs 341.621 real_cost = -323.953 HHpred3_TS1 costs 347.006 real_cost = -341.986 HHpred2_TS1-scwrl costs 341.621 real_cost = -323.953 HHpred2_TS1 costs 347.006 real_cost = -341.986 HHpred1_TS1-scwrl costs 338.903 real_cost = -380.813 HHpred1_TS1 costs 347.569 real_cost = -392.609 GeneSilicoMetaServer_TS5-scwrl costs 339.991 real_cost = -345.985 GeneSilicoMetaServer_TS5 costs 346.367 real_cost = -357.743 GeneSilicoMetaServer_TS4-scwrl costs 355.417 real_cost = -243.110 GeneSilicoMetaServer_TS4 costs 362.327 real_cost = -244.641 GeneSilicoMetaServer_TS3-scwrl costs 431.218 real_cost = -197.438 GeneSilicoMetaServer_TS3 costs 436.773 real_cost = -199.745 GeneSilicoMetaServer_TS2-scwrl costs 437.197 real_cost = -207.227 GeneSilicoMetaServer_TS2 costs 432.432 real_cost = -215.856 GeneSilicoMetaServer_TS1-scwrl costs 344.752 real_cost = -347.076 GeneSilicoMetaServer_TS1 costs 353.166 real_cost = -355.032 FUNCTION_TS5-scwrl costs 373.651 real_cost = -240.807 FUNCTION_TS5 costs 370.642 real_cost = -251.614 FUNCTION_TS4-scwrl costs 371.795 real_cost = -239.131 FUNCTION_TS4 costs 373.096 real_cost = -251.994 FUNCTION_TS3-scwrl costs 360.435 real_cost = -337.998 FUNCTION_TS3 costs 364.443 real_cost = -336.037 FUNCTION_TS2-scwrl costs 404.105 real_cost = -203.652 FUNCTION_TS2 costs 401.217 real_cost = -193.972 FUNCTION_TS1-scwrl costs 413.038 real_cost = -207.196 FUNCTION_TS1 costs 410.187 real_cost = -214.225 FUGUE_AL5-scwrl costs 494.969 real_cost = 345.064 FUGUE_AL5 costs 29717.383 real_cost = 468.878 FUGUE_AL4-scwrl costs 461.805 real_cost = 349.797 FUGUE_AL4 costs 16001.025 real_cost = 475.230 FUGUE_AL3-scwrl costs 1377.525 real_cost = 541.434 FUGUE_AL3 costs 2847.693 real_cost = 567.565 FUGUE_AL2-scwrl costs 380.600 real_cost = -361.307 FUGUE_AL2 costs 36765.035 real_cost = -247.483 FUGUE_AL1-scwrl costs 362.536 real_cost = -369.163 FUGUE_AL1 costs 70089.092 real_cost = -250.342 FUGMOD_TS5-scwrl costs 451.044 real_cost = 342.802 FUGMOD_TS5 costs 456.238 real_cost = 344.431 FUGMOD_TS4-scwrl costs 450.260 real_cost = 350.241 FUGMOD_TS4 costs 450.336 real_cost = 348.982 FUGMOD_TS3-scwrl costs 1380.288 real_cost = 551.639 FUGMOD_TS3 costs 1367.483 real_cost = 522.630 FUGMOD_TS2-scwrl costs 335.408 real_cost = -379.038 FUGMOD_TS2 costs 342.529 real_cost = -385.190 FUGMOD_TS1-scwrl costs 346.451 real_cost = -350.412 FUGMOD_TS1 costs 352.653 real_cost = -355.432 FPSOLVER-SERVER_TS5-scwrl costs 475.107 real_cost = 358.841 FPSOLVER-SERVER_TS5 costs 476.987 real_cost = 358.921 FPSOLVER-SERVER_TS4-scwrl costs 499.114 real_cost = 359.773 FPSOLVER-SERVER_TS4 costs 497.855 real_cost = 360.870 FPSOLVER-SERVER_TS3-scwrl costs 490.974 real_cost = 319.283 FPSOLVER-SERVER_TS3 costs 492.639 real_cost = 324.268 FPSOLVER-SERVER_TS2-scwrl costs 491.927 real_cost = 353.252 FPSOLVER-SERVER_TS2 costs 492.328 real_cost = 351.405 FPSOLVER-SERVER_TS1-scwrl costs 490.974 real_cost = 319.283 FPSOLVER-SERVER_TS1 costs 492.639 real_cost = 324.268 FORTE2_AL5-scwrl costs 570.942 real_cost = 357.538 FORTE2_AL5 costs 18040.230 real_cost = 476.663 FORTE2_AL4-scwrl costs 690.141 real_cost = 413.738 FORTE2_AL4 costs 43531.673 real_cost = 516.892 FORTE2_AL3-scwrl costs 703.907 real_cost = 406.780 FORTE2_AL3 costs 34444.704 real_cost = 506.077 FORTE2_AL2-scwrl costs 524.227 real_cost = -78.091 FORTE2_AL2 costs 33381.718 real_cost = 19.765 FORTE2_AL1-scwrl costs 417.788 real_cost = -292.518 FORTE2_AL1 costs 26672.864 real_cost = -161.551 FORTE1_AL5-scwrl costs 528.402 real_cost = 359.891 FORTE1_AL5 costs 74135.391 real_cost = 487.134 FORTE1_AL4-scwrl costs 546.297 real_cost = 350.438 FORTE1_AL4 costs 38851.767 real_cost = 459.774 FORTE1_AL3-scwrl costs 786.591 real_cost = 429.697 FORTE1_AL3 costs 33681.342 real_cost = 517.830 FORTE1_AL2-scwrl costs 526.749 real_cost = -77.863 FORTE1_AL2 costs 33403.233 real_cost = 18.111 FORTE1_AL1-scwrl costs 417.788 real_cost = -292.518 FORTE1_AL1 costs 26672.864 real_cost = -161.551 FOLDpro_TS5-scwrl costs 457.117 real_cost = -189.226 FOLDpro_TS5 costs 460.141 real_cost = -189.906 FOLDpro_TS4-scwrl costs 445.233 real_cost = -191.849 FOLDpro_TS4 costs 448.090 real_cost = -194.544 FOLDpro_TS3-scwrl costs 346.430 real_cost = -329.085 FOLDpro_TS3 costs 351.208 real_cost = -332.694 FOLDpro_TS2-scwrl costs 363.499 real_cost = -176.796 FOLDpro_TS2 costs 367.121 real_cost = -183.032 FOLDpro_TS1-scwrl costs 340.444 real_cost = -347.354 FOLDpro_TS1 costs 346.785 real_cost = -357.647 FAMS_TS5-scwrl costs 372.629 real_cost = -337.097 FAMS_TS5 costs 375.380 real_cost = -342.095 FAMS_TS4-scwrl costs 357.707 real_cost = -351.960 FAMS_TS4 costs 359.092 real_cost = -364.201 FAMS_TS3-scwrl costs 359.996 real_cost = -367.617 FAMS_TS3 costs 363.274 real_cost = -381.728 FAMS_TS2-scwrl costs 360.146 real_cost = -367.738 FAMS_TS2 costs 361.479 real_cost = -379.101 FAMS_TS1-scwrl costs 367.797 real_cost = -344.688 FAMS_TS1 costs 366.552 real_cost = -351.598 FAMSD_TS5-scwrl costs 365.239 real_cost = -349.495 FAMSD_TS5 costs 367.398 real_cost = -358.643 FAMSD_TS4-scwrl costs 376.694 real_cost = -343.919 FAMSD_TS4 costs 377.073 real_cost = -339.078 FAMSD_TS3-scwrl costs 364.137 real_cost = -336.293 FAMSD_TS3 costs 365.868 real_cost = -347.301 FAMSD_TS2-scwrl costs 347.976 real_cost = -359.061 FAMSD_TS2 costs 349.759 real_cost = -359.368 FAMSD_TS1-scwrl costs 343.465 real_cost = -347.330 FAMSD_TS1 costs 345.983 real_cost = -335.246 Distill_TS5-scwrl costs 2498.474 real_cost = 211.006 Distill_TS4-scwrl costs 2497.734 real_cost = 217.450 Distill_TS3-scwrl costs 2492.514 real_cost = 211.655 Distill_TS2-scwrl costs 2500.510 real_cost = 207.359 Distill_TS1-scwrl costs 2493.887 real_cost = 211.361 CaspIta-FOX_TS5-scwrl costs 367.580 real_cost = -228.072 CaspIta-FOX_TS5 costs 368.215 real_cost = -232.864 CaspIta-FOX_TS4-scwrl costs 378.612 real_cost = -251.785 CaspIta-FOX_TS4 costs 380.778 real_cost = -254.973 CaspIta-FOX_TS3-scwrl costs 348.574 real_cost = -326.941 CaspIta-FOX_TS3 costs 346.798 real_cost = -336.289 CaspIta-FOX_TS2-scwrl costs 390.942 real_cost = -225.818 CaspIta-FOX_TS2 costs 391.856 real_cost = -237.732 CaspIta-FOX_TS1-scwrl costs 331.528 real_cost = -389.420 CaspIta-FOX_TS1 costs 333.536 real_cost = -396.372 CPHmodels_TS1-scwrl costs 362.699 real_cost = -327.578 CPHmodels_TS1 costs 364.724 real_cost = -343.681 CIRCLE_TS5-scwrl costs 372.629 real_cost = -337.097 CIRCLE_TS5 costs 375.380 real_cost = -342.095 CIRCLE_TS4-scwrl costs 357.707 real_cost = -351.960 CIRCLE_TS4 costs 359.092 real_cost = -364.201 CIRCLE_TS3-scwrl costs 360.146 real_cost = -367.738 CIRCLE_TS3 costs 361.479 real_cost = -379.101 CIRCLE_TS2-scwrl costs 362.281 real_cost = -372.626 CIRCLE_TS2 costs 365.096 real_cost = -393.882 CIRCLE_TS1-scwrl costs 359.996 real_cost = -367.617 CIRCLE_TS1 costs 363.274 real_cost = -381.728 Bilab-ENABLE_TS5-scwrl costs 348.196 real_cost = -278.791 Bilab-ENABLE_TS5 costs 348.196 real_cost = -278.791 Bilab-ENABLE_TS4-scwrl costs 342.430 real_cost = -359.210 Bilab-ENABLE_TS4 costs 339.622 real_cost = -359.760 Bilab-ENABLE_TS3-scwrl costs 344.796 real_cost = -340.914 Bilab-ENABLE_TS3 costs 344.438 real_cost = -341.015 Bilab-ENABLE_TS2-scwrl costs 345.331 real_cost = -280.527 Bilab-ENABLE_TS2 costs 345.331 real_cost = -280.527 Bilab-ENABLE_TS1-scwrl costs 344.417 real_cost = -286.962 Bilab-ENABLE_TS1 costs 344.417 real_cost = -286.962 BayesHH_TS1-scwrl costs 337.932 real_cost = -348.734 BayesHH_TS1 costs 341.877 real_cost = -364.682 ABIpro_TS5-scwrl costs 532.282 real_cost = 272.816 ABIpro_TS5 costs 532.561 real_cost = 270.869 ABIpro_TS4-scwrl costs 490.543 real_cost = 269.763 ABIpro_TS4 costs 487.922 real_cost = 268.731 ABIpro_TS3-scwrl costs 516.492 real_cost = 271.608 ABIpro_TS3 costs 516.492 real_cost = 271.608 ABIpro_TS2-scwrl costs 548.543 real_cost = 272.595 ABIpro_TS2 costs 548.871 real_cost = 272.598 ABIpro_TS1-scwrl costs 538.680 real_cost = 277.688 ABIpro_TS1 costs 537.731 real_cost = 277.649 3Dpro_TS5-scwrl costs 461.818 real_cost = -192.099 3Dpro_TS5 costs 448.990 real_cost = -208.940 3Dpro_TS4-scwrl costs 457.117 real_cost = -189.226 3Dpro_TS4 costs 460.141 real_cost = -189.906 3Dpro_TS3-scwrl costs 445.233 real_cost = -191.849 3Dpro_TS3 costs 448.090 real_cost = -194.544 3Dpro_TS2-scwrl costs 332.197 real_cost = -379.158 3Dpro_TS2 costs 338.830 real_cost = -401.793 3Dpro_TS1-scwrl costs 344.411 real_cost = -340.607 3Dpro_TS1 costs 348.070 real_cost = -355.706 3D-JIGSAW_TS5-scwrl costs 364.625 real_cost = -190.043 3D-JIGSAW_TS5 costs 372.796 real_cost = -186.290 3D-JIGSAW_TS4-scwrl costs 368.952 real_cost = -222.169 3D-JIGSAW_TS4 costs 377.008 real_cost = -204.595 3D-JIGSAW_TS3-scwrl costs 357.072 real_cost = -372.473 3D-JIGSAW_TS3 costs 363.818 real_cost = -343.653 3D-JIGSAW_TS2-scwrl costs 348.764 real_cost = -380.362 3D-JIGSAW_TS2 costs 355.036 real_cost = -365.042 3D-JIGSAW_TS1-scwrl costs 361.051 real_cost = -375.081 3D-JIGSAW_TS1 costs 371.466 real_cost = -348.405 3D-JIGSAW_RECOM_TS5-scwrl costs 366.271 real_cost = -215.496 3D-JIGSAW_RECOM_TS5 costs 376.367 real_cost = -201.955 3D-JIGSAW_RECOM_TS4-scwrl costs 378.906 real_cost = -232.753 3D-JIGSAW_RECOM_TS4 costs 387.165 real_cost = -228.847 3D-JIGSAW_RECOM_TS3-scwrl costs 350.645 real_cost = -378.923 3D-JIGSAW_RECOM_TS3 costs 353.696 real_cost = -377.066 3D-JIGSAW_RECOM_TS2-scwrl costs 381.769 real_cost = -239.459 3D-JIGSAW_RECOM_TS2 costs 384.455 real_cost = -229.036 3D-JIGSAW_RECOM_TS1-scwrl costs 352.665 real_cost = -364.146 3D-JIGSAW_RECOM_TS1 costs 352.338 real_cost = -364.194 3D-JIGSAW_POPULUS_TS5-scwrl costs 357.140 real_cost = -233.840 3D-JIGSAW_POPULUS_TS5 costs 356.498 real_cost = -233.941 3D-JIGSAW_POPULUS_TS4-scwrl costs 347.470 real_cost = -350.998 3D-JIGSAW_POPULUS_TS4 costs 347.553 real_cost = -351.056 3D-JIGSAW_POPULUS_TS3-scwrl costs 345.100 real_cost = -361.145 3D-JIGSAW_POPULUS_TS3 costs 344.950 real_cost = -361.289 3D-JIGSAW_POPULUS_TS2-scwrl costs 352.210 real_cost = -368.873 3D-JIGSAW_POPULUS_TS2 costs 351.668 real_cost = -369.271 3D-JIGSAW_POPULUS_TS1-scwrl costs 352.518 real_cost = -368.165 3D-JIGSAW_POPULUS_TS1 costs 351.987 real_cost = -368.559 dimer//dimer-try4-2rmcA costs 322.372 real_cost = -380.193 dimer//dimer-try4-1yndA.unpack costs 322.218 real_cost = -380.223 dimer//dimer-try4-1yndA costs 322.218 real_cost = -380.223 dimer//dimer-try4-1dywA.unpack costs 322.381 real_cost = -380.177 dimer//dimer-try4-1dywA costs 322.381 real_cost = -380.177 dimer//dimer-try3-1yndA costs 309.026 real_cost = -374.503 dimer//try3-opt2.unpack costs 312.754 real_cost = -381.692 dimer//try3-opt2.unpack.gromacs0.repack-nonPC.unpack costs 323.176 real_cost = -377.845 dimer//try3-opt2.unpack.gromacs0.repack-nonPC costs 323.176 real_cost = -377.845 dimer//try3-opt2.unpack.gromacs0 costs 321.894 real_cost = -378.447 dimer//try3-opt2.repack-nonPC costs 315.237 real_cost = -379.588 dimer//try3-opt2 costs 312.754 real_cost = -381.692 dimer//try3-opt1 costs 315.815 real_cost = -378.767 dimer//try3-opt1-scwrl costs 318.610 real_cost = -377.575 dimer//try2-opt2.unpack costs 312.991 real_cost = -379.327 dimer//try2-opt2.unpack.gromacs0.repack-nonPC.unpack costs 321.176 real_cost = -380.202 dimer//try2-opt2.unpack.gromacs0.repack-nonPC costs 321.176 real_cost = -380.202 dimer//try2-opt2.unpack.gromacs0 costs 319.361 real_cost = -378.320 dimer//try2-opt2.repack-nonPC costs 316.184 real_cost = -380.230 dimer//try2-opt2 costs 312.991 real_cost = -379.327 dimer//try2-opt1 costs 316.850 real_cost = -380.422 dimer//try2-opt1-scwrl costs 321.079 real_cost = -377.893 dimer//try1-opt2.unpack costs 308.101 real_cost = -373.655 dimer//try1-opt2.unpack.gromacs0.repack-nonPC.unpack costs 321.319 real_cost = -378.194 dimer//try1-opt2.unpack.gromacs0.repack-nonPC costs 321.319 real_cost = -378.194 dimer//try1-opt2.unpack.gromacs0 costs 318.342 real_cost = -372.914 dimer//try1-opt2.repack-nonPC costs 311.841 real_cost = -388.069 dimer//try1-opt2 costs 308.101 real_cost = -373.655 dimer//try1-opt1 costs 309.139 real_cost = -375.213 dimer//try1-opt1-scwrl costs 317.529 real_cost = -379.528 T0346.try4-opt2.repack-nonPC.pdb.gz costs 312.331 real_cost = -383.349 T0346.try4-opt2.pdb.gz costs 309.764 real_cost = -376.235 T0346.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 322.276 real_cost = -380.212 T0346.try4-opt2.gromacs0.pdb.gz costs 320.578 real_cost = -377.035 T0346.try4-opt1.pdb.gz costs 313.549 real_cost = -383.049 T0346.try4-opt1-scwrl.pdb.gz costs 316.733 real_cost = -379.212 T0346.try3-opt2.repack-nonPC.pdb.gz costs 312.335 real_cost = -387.451 T0346.try3-opt2.pdb.gz costs 308.831 real_cost = -374.487 T0346.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 322.786 real_cost = -384.190 T0346.try3-opt2.gromacs0.pdb.gz costs 320.014 real_cost = -374.559 T0346.try3-opt1.pdb.gz costs 309.994 real_cost = -374.777 T0346.try3-opt1-scwrl.pdb.gz costs 316.740 real_cost = -381.388 T0346.try2-opt2.repack-nonPC.pdb.gz costs 313.845 real_cost = -388.073 T0346.try2-opt2.pdb.gz costs 310.174 real_cost = -375.393 T0346.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 322.311 real_cost = -383.244 T0346.try2-opt2.gromacs0.pdb.gz costs 319.610 real_cost = -373.961 T0346.try2-opt1.pdb.gz costs 312.626 real_cost = -375.458 T0346.try2-opt1-scwrl.pdb.gz costs 318.347 real_cost = -382.248 T0346.try1-opt2.repack-nonPC.pdb.gz costs 316.740 real_cost = -395.895 T0346.try1-opt2.pdb.gz costs 312.981 real_cost = -379.100 T0346.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 324.117 real_cost = -384.502 T0346.try1-opt2.gromacs0.pdb.gz costs 321.714 real_cost = -376.242 T0346.try1-opt1.pdb.gz costs 317.255 real_cost = -378.665 T0346.try1-opt1-scwrl.pdb.gz costs 321.367 real_cost = -386.331 ../model5.ts-submitted costs 398.827 real_cost = -281.720 ../model4.ts-submitted costs 313.010 real_cost = -379.089 ../model3.ts-submitted costs 310.218 real_cost = -375.398 ../model2.ts-submitted costs 308.909 real_cost = -374.494 ../model1.ts-submitted costs 322.170 real_cost = -380.210 align5 costs 1343.993 real_cost = -213.825 align4 costs 1327.029 real_cost = -329.749 align3 costs 771.028 real_cost = -262.578 align2 costs 1243.886 real_cost = -260.892 align1 costs 505.339 real_cost = -281.431 T0346.try1-opt2.pdb costs 312.980 real_cost = -379.123 model5-scwrl costs 432.805 real_cost = -280.503 model5.ts-submitted costs 398.827 real_cost = -281.720 model4-scwrl costs 319.200 real_cost = -384.432 model4.ts-submitted costs 313.010 real_cost = -379.089 model3-scwrl costs 317.095 real_cost = -381.299 model3.ts-submitted costs 310.218 real_cost = -375.398 model2-scwrl costs 316.640 real_cost = -377.037 model2.ts-submitted costs 308.909 real_cost = -374.494 model1-scwrl costs 324.472 real_cost = -378.282 model1.ts-submitted costs 322.170 real_cost = -380.170 2he9A costs 333.996 real_cost = -895.000 # command:CPU_time= 996.388 sec, elapsed time= 2665.194 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/T0346'