make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0346' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0346.t06.str2 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.anglevector.rdb sed -e s/XXX0000/T0346/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -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 1182741237 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 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 685 # 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= 5.608 sec, elapsed time= 5.632 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 5.000 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 6.500 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 6.500 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 6.500 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 9.650 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 8.900 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 8.000 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 10.000 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 12.000 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= 5.679 sec, elapsed time= 5.715 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:2he9A expands to /projects/compbio/data/pdb/2he9.pdb.gz 2he9A:Skipped atom 196, because occupancy 0.5 <= existing 0.500 in 2he9A Skipped atom 198, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 200, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 202, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 204, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 206, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 208, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 210, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 212, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 214, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 216, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 218, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 220, because occupancy 0.500 <= existing 0.500 in 2he9A Skipped atom 222, because occupancy 0.500 <= existing 0.500 in 2he9A Read 172 residues and 1335 atoms. # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 8.180 sec, elapsed time= 8.270 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # command:# fraction of real conformation used = 1.000 # GDT_score = -98.401 # GDT_score(maxd=8.000,maxw=2.900)= -99.546 # GDT_score(maxd=8.000,maxw=3.200)= -98.967 # GDT_score(maxd=8.000,maxw=3.500)= -98.043 # GDT_score(maxd=10.000,maxw=3.800)= -98.282 # GDT_score(maxd=10.000,maxw=4.000)= -97.520 # GDT_score(maxd=10.000,maxw=4.200)= -96.646 # GDT_score(maxd=12.000,maxw=4.300)= -97.523 # GDT_score(maxd=12.000,maxw=4.500)= -96.677 # GDT_score(maxd=12.000,maxw=4.700)= -95.692 # GDT_score(maxd=14.000,maxw=5.200)= -94.373 # GDT_score(maxd=14.000,maxw=5.500)= -92.492 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0346.model1-real.pdb for output Error: Couldn't open file T0346.model1-real.pdb for output superimposing iter= 0 total_weight= 2023.000 rmsd (weighted)= 1.096 (unweighted)= 1.271 superimposing iter= 1 total_weight= 7475.876 rmsd (weighted)= 0.416 (unweighted)= 1.272 superimposing iter= 2 total_weight= 2489.465 rmsd (weighted)= 0.301 (unweighted)= 1.273 superimposing iter= 3 total_weight= 1547.706 rmsd (weighted)= 0.278 (unweighted)= 1.274 superimposing iter= 4 total_weight= 1378.105 rmsd (weighted)= 0.273 (unweighted)= 1.274 superimposing iter= 5 total_weight= 1339.718 rmsd (weighted)= 0.271 (unweighted)= 1.274 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N SER 1 39.338 3.993 25.038 1.00 0.00 ATOM 2 CA SER 1 38.237 4.887 25.409 1.00 0.00 ATOM 3 CB SER 1 37.097 4.750 24.419 1.00 0.00 ATOM 4 OG SER 1 36.510 3.478 24.464 1.00 0.00 ATOM 5 O SER 1 37.071 5.715 27.211 1.00 0.00 ATOM 6 C SER 1 37.636 4.721 26.810 1.00 0.00 ATOM 7 N PRO 2 37.805 3.594 27.537 1.00 0.00 ATOM 8 CA PRO 2 37.266 3.422 28.900 1.00 0.00 ATOM 9 CB PRO 2 37.517 1.965 29.255 1.00 0.00 ATOM 10 CG PRO 2 38.760 1.600 28.450 1.00 0.00 ATOM 11 CD PRO 2 38.499 2.349 27.154 1.00 0.00 ATOM 12 O PRO 2 39.017 4.851 29.695 1.00 0.00 ATOM 13 C PRO 2 37.896 4.385 29.909 1.00 0.00 ATOM 14 N GLN 3 37.094 4.733 30.911 1.00 0.00 ATOM 15 CA GLN 3 37.502 5.699 31.949 1.00 0.00 ATOM 16 CB GLN 3 36.716 7.005 31.803 1.00 0.00 ATOM 17 CG GLN 3 37.095 8.075 32.813 1.00 0.00 ATOM 18 CD GLN 3 36.351 9.376 32.585 1.00 0.00 ATOM 19 OE1 GLN 3 35.427 9.445 31.769 1.00 0.00 ATOM 20 NE2 GLN 3 36.750 10.420 33.303 1.00 0.00 ATOM 21 O GLN 3 36.168 4.758 33.716 1.00 0.00 ATOM 22 C GLN 3 37.285 5.105 33.343 1.00 0.00 ATOM 23 N CYS 4 38.380 5.032 34.077 1.00 0.00 ATOM 24 CA CYS 4 38.412 4.439 35.430 1.00 0.00 ATOM 25 CB CYS 4 39.443 3.312 35.462 1.00 0.00 ATOM 26 SG CYS 4 38.866 1.916 34.427 1.00 0.00 ATOM 27 O CYS 4 39.247 6.551 36.211 1.00 0.00 ATOM 28 C CYS 4 38.709 5.478 36.505 1.00 0.00 ATOM 29 N HIS 5 38.377 5.126 37.740 1.00 0.00 ATOM 30 CA HIS 5 38.617 6.009 38.897 1.00 0.00 ATOM 31 CB HIS 5 37.346 6.784 39.259 1.00 0.00 ATOM 32 CG HIS 5 36.412 6.025 40.150 1.00 0.00 ATOM 33 CD2 HIS 5 36.318 5.961 41.499 1.00 0.00 ATOM 34 ND1 HIS 5 35.418 5.204 39.659 1.00 0.00 ATOM 35 CE1 HIS 5 34.754 4.668 40.668 1.00 0.00 ATOM 36 NE2 HIS 5 35.281 5.112 41.794 1.00 0.00 ATOM 37 O HIS 5 38.659 4.220 40.504 1.00 0.00 ATOM 38 C HIS 5 39.109 5.307 40.163 1.00 0.00 ATOM 39 N PHE 6 40.001 6.037 40.807 1.00 0.00 ATOM 40 CA PHE 6 40.569 5.655 42.107 1.00 0.00 ATOM 41 CB PHE 6 42.068 5.371 41.982 1.00 0.00 ATOM 42 CG PHE 6 42.346 4.159 41.093 1.00 0.00 ATOM 43 CD1 PHE 6 42.291 4.289 39.710 1.00 0.00 ATOM 44 CD2 PHE 6 42.665 2.934 41.659 1.00 0.00 ATOM 45 CE1 PHE 6 42.549 3.203 38.897 1.00 0.00 ATOM 46 CE2 PHE 6 42.938 1.842 40.846 1.00 0.00 ATOM 47 CZ PHE 6 42.884 1.971 39.462 1.00 0.00 ATOM 48 O PHE 6 40.878 7.921 42.882 1.00 0.00 ATOM 49 C PHE 6 40.376 6.807 43.092 1.00 0.00 ATOM 50 N ASP 7 39.677 6.490 44.158 1.00 0.00 ATOM 51 CA ASP 7 39.486 7.440 45.258 1.00 0.00 ATOM 52 CB ASP 7 38.030 7.430 45.728 1.00 0.00 ATOM 53 CG ASP 7 37.672 8.555 46.690 1.00 0.00 ATOM 54 OD1 ASP 7 38.550 9.304 47.051 1.00 0.00 ATOM 55 OD2 ASP 7 36.504 8.756 46.930 1.00 0.00 ATOM 56 O ASP 7 40.546 5.903 46.790 1.00 0.00 ATOM 57 C ASP 7 40.452 7.057 46.381 1.00 0.00 ATOM 58 N ILE 8 41.377 7.975 46.629 1.00 0.00 ATOM 59 CA ILE 8 42.529 7.706 47.515 1.00 0.00 ATOM 60 CB ILE 8 43.871 8.090 46.845 1.00 0.00 ATOM 61 CG1 ILE 8 44.045 7.417 45.469 1.00 0.00 ATOM 62 CG2 ILE 8 45.098 7.804 47.713 1.00 0.00 ATOM 63 CD1 ILE 8 43.897 5.892 45.478 1.00 0.00 ATOM 64 O ILE 8 41.781 9.481 48.983 1.00 0.00 ATOM 65 C ILE 8 42.359 8.405 48.871 1.00 0.00 ATOM 66 N GLU 9 42.868 7.726 49.893 1.00 0.00 ATOM 67 CA GLU 9 42.976 8.280 51.248 1.00 0.00 ATOM 68 CB GLU 9 42.032 7.547 52.204 1.00 0.00 ATOM 69 CG GLU 9 40.554 7.728 51.890 1.00 0.00 ATOM 70 CD GLU 9 39.692 7.003 52.885 1.00 0.00 ATOM 71 OE1 GLU 9 40.231 6.379 53.766 1.00 0.00 ATOM 72 OE2 GLU 9 38.495 7.165 52.833 1.00 0.00 ATOM 73 O GLU 9 45.124 7.219 51.397 1.00 0.00 ATOM 74 C GLU 9 44.421 8.184 51.729 1.00 0.00 ATOM 75 N ILE 10 44.870 9.231 52.412 1.00 0.00 ATOM 76 CA ILE 10 46.178 9.210 53.092 1.00 0.00 ATOM 77 CB ILE 10 47.053 10.404 52.670 1.00 0.00 ATOM 78 CG1 ILE 10 47.410 10.305 51.184 1.00 0.00 ATOM 79 CG2 ILE 10 48.313 10.467 53.521 1.00 0.00 ATOM 80 CD1 ILE 10 48.294 11.430 50.693 1.00 0.00 ATOM 81 O ILE 10 45.339 10.175 55.125 1.00 0.00 ATOM 82 C ILE 10 45.896 9.227 54.588 1.00 0.00 ATOM 83 N ASN 11 46.159 8.078 55.205 1.00 0.00 ATOM 84 CA ASN 11 45.913 7.880 56.651 1.00 0.00 ATOM 85 CB ASN 11 46.906 8.686 57.481 1.00 0.00 ATOM 86 CG ASN 11 46.903 8.157 58.913 1.00 0.00 ATOM 87 ND2 ASN 11 47.251 8.999 59.824 1.00 0.00 ATOM 88 OD1 ASN 11 46.608 7.032 59.273 1.00 0.00 ATOM 89 O ASN 11 44.202 9.164 57.826 1.00 0.00 ATOM 90 C ASN 11 44.477 8.245 57.048 1.00 0.00 ATOM 91 N ARG 12 43.598 7.667 56.254 1.00 0.00 ATOM 92 CA ARG 12 42.125 7.787 56.320 1.00 0.00 ATOM 93 CB ARG 12 41.554 7.172 57.589 1.00 0.00 ATOM 94 CG ARG 12 41.813 5.682 57.750 1.00 0.00 ATOM 95 CD ARG 12 41.173 5.075 58.946 1.00 0.00 ATOM 96 NE ARG 12 39.721 5.035 58.896 1.00 0.00 ATOM 97 CZ ARG 12 39.002 4.050 58.324 1.00 0.00 ATOM 98 NH1 ARG 12 39.593 3.043 57.719 1.00 0.00 ATOM 99 NH2 ARG 12 37.683 4.133 58.366 1.00 0.00 ATOM 100 O ARG 12 40.329 9.418 56.326 1.00 0.00 ATOM 101 C ARG 12 41.542 9.199 56.167 1.00 0.00 ATOM 102 N GLU 13 42.358 10.089 55.593 1.00 0.00 ATOM 103 CA GLU 13 41.895 11.380 55.074 1.00 0.00 ATOM 104 CB GLU 13 42.803 12.510 55.563 1.00 0.00 ATOM 105 CG GLU 13 42.391 13.897 55.088 1.00 0.00 ATOM 106 CD GLU 13 43.331 14.951 55.603 1.00 0.00 ATOM 107 OE1 GLU 13 44.262 14.607 56.289 1.00 0.00 ATOM 108 OE2 GLU 13 43.184 16.088 55.218 1.00 0.00 ATOM 109 O GLU 13 42.881 11.111 52.879 1.00 0.00 ATOM 110 C GLU 13 41.849 11.344 53.529 1.00 0.00 ATOM 111 N PRO 14 40.659 11.586 52.961 1.00 0.00 ATOM 112 CA PRO 14 40.453 11.552 51.512 1.00 0.00 ATOM 113 CB PRO 14 38.983 11.905 51.315 1.00 0.00 ATOM 114 CG PRO 14 38.346 11.425 52.617 1.00 0.00 ATOM 115 CD PRO 14 39.384 11.826 53.664 1.00 0.00 ATOM 116 O PRO 14 41.406 13.760 51.250 1.00 0.00 ATOM 117 C PRO 14 41.349 12.605 50.853 1.00 0.00 ATOM 118 N VAL 15 42.137 12.118 49.913 1.00 0.00 ATOM 119 CA VAL 15 43.003 13.029 49.137 1.00 0.00 ATOM 120 CB VAL 15 44.482 12.633 49.154 1.00 0.00 ATOM 121 CG1 VAL 15 44.969 12.832 50.581 1.00 0.00 ATOM 122 CG2 VAL 15 44.738 11.195 48.691 1.00 0.00 ATOM 123 O VAL 15 43.123 13.966 46.964 1.00 0.00 ATOM 124 C VAL 15 42.483 13.252 47.726 1.00 0.00 ATOM 125 N GLY 16 41.317 12.681 47.429 1.00 0.00 ATOM 126 CA GLY 16 40.619 12.928 46.170 1.00 0.00 ATOM 127 O GLY 16 41.125 10.637 45.509 1.00 0.00 ATOM 128 C GLY 16 40.638 11.730 45.220 1.00 0.00 ATOM 129 N ARG 17 40.167 12.064 44.030 1.00 0.00 ATOM 130 CA ARG 17 39.993 11.075 42.963 1.00 0.00 ATOM 131 CB ARG 17 38.559 11.022 42.458 1.00 0.00 ATOM 132 CG ARG 17 37.543 10.507 43.467 1.00 0.00 ATOM 133 CD ARG 17 36.153 10.427 42.950 1.00 0.00 ATOM 134 NE ARG 17 35.185 9.913 43.904 1.00 0.00 ATOM 135 CZ ARG 17 33.872 9.744 43.649 1.00 0.00 ATOM 136 NH1 ARG 17 33.361 10.081 42.485 1.00 0.00 ATOM 137 NH2 ARG 17 33.107 9.251 44.606 1.00 0.00 ATOM 138 O ARG 17 41.215 12.413 41.357 1.00 0.00 ATOM 139 C ARG 17 40.970 11.296 41.809 1.00 0.00 ATOM 140 N ILE 18 41.464 10.162 41.348 1.00 0.00 ATOM 141 CA ILE 18 42.336 10.068 40.167 1.00 0.00 ATOM 142 CB ILE 18 43.643 9.299 40.436 1.00 0.00 ATOM 143 CG1 ILE 18 44.361 9.829 41.689 1.00 0.00 ATOM 144 CG2 ILE 18 44.565 9.460 39.228 1.00 0.00 ATOM 145 CD1 ILE 18 45.559 8.977 42.154 1.00 0.00 ATOM 146 O ILE 18 41.029 8.256 39.253 1.00 0.00 ATOM 147 C ILE 18 41.520 9.370 39.073 1.00 0.00 ATOM 148 N MET 19 41.355 10.106 37.979 1.00 0.00 ATOM 149 CA MET 19 40.628 9.592 36.808 1.00 0.00 ATOM 150 CB MET 19 39.533 10.574 36.395 1.00 0.00 ATOM 151 CG MET 19 38.550 10.925 37.505 1.00 0.00 ATOM 152 SD MET 19 37.254 12.051 36.954 1.00 0.00 ATOM 153 CE MET 19 36.389 12.349 38.493 1.00 0.00 ATOM 154 O MET 19 42.355 10.264 35.265 1.00 0.00 ATOM 155 C MET 19 41.626 9.353 35.667 1.00 0.00 ATOM 156 N PHE 20 41.561 8.137 35.136 1.00 0.00 ATOM 157 CA PHE 20 42.408 7.686 34.016 1.00 0.00 ATOM 158 CB PHE 20 43.166 6.415 34.382 1.00 0.00 ATOM 159 CG PHE 20 44.082 6.610 35.577 1.00 0.00 ATOM 160 CD1 PHE 20 45.456 6.705 35.379 1.00 0.00 ATOM 161 CD2 PHE 20 43.532 6.552 36.851 1.00 0.00 ATOM 162 CE1 PHE 20 46.285 6.715 36.490 1.00 0.00 ATOM 163 CE2 PHE 20 44.364 6.543 37.945 1.00 0.00 ATOM 164 CZ PHE 20 45.729 6.628 37.758 1.00 0.00 ATOM 165 O PHE 20 40.572 6.588 32.918 1.00 0.00 ATOM 166 C PHE 20 41.564 7.322 32.808 1.00 0.00 ATOM 167 N GLN 21 42.118 7.672 31.660 1.00 0.00 ATOM 168 CA GLN 21 41.605 7.201 30.370 1.00 0.00 ATOM 169 CB GLN 21 41.622 8.334 29.340 1.00 0.00 ATOM 170 CG GLN 21 41.034 7.956 27.990 1.00 0.00 ATOM 171 CD GLN 21 41.000 9.127 27.027 1.00 0.00 ATOM 172 OE1 GLN 21 41.378 10.249 27.377 1.00 0.00 ATOM 173 NE2 GLN 21 40.538 8.875 25.807 1.00 0.00 ATOM 174 O GLN 21 43.718 6.122 29.938 1.00 0.00 ATOM 175 C GLN 21 42.495 6.025 29.954 1.00 0.00 ATOM 176 N LEU 22 41.812 4.952 29.573 1.00 0.00 ATOM 177 CA LEU 22 42.519 3.765 29.085 1.00 0.00 ATOM 178 CB LEU 22 41.902 2.485 29.654 1.00 0.00 ATOM 179 CG LEU 22 41.983 2.386 31.167 1.00 0.00 ATOM 180 CD1 LEU 22 41.200 1.142 31.561 1.00 0.00 ATOM 181 CD2 LEU 22 43.436 2.340 31.648 1.00 0.00 ATOM 182 O LEU 22 41.356 3.884 27.001 1.00 0.00 ATOM 183 C LEU 22 42.442 3.723 27.573 1.00 0.00 ATOM 184 N PHE 23 43.573 3.351 26.995 1.00 0.00 ATOM 185 CA PHE 23 43.756 3.257 25.535 1.00 0.00 ATOM 186 CB PHE 23 45.163 3.723 25.159 1.00 0.00 ATOM 187 CG PHE 23 45.369 5.220 25.352 1.00 0.00 ATOM 188 CD1 PHE 23 46.116 5.638 26.437 1.00 0.00 ATOM 189 CD2 PHE 23 44.870 6.169 24.476 1.00 0.00 ATOM 190 CE1 PHE 23 46.350 6.987 26.645 1.00 0.00 ATOM 191 CE2 PHE 23 45.080 7.521 24.684 1.00 0.00 ATOM 192 CZ PHE 23 45.829 7.930 25.773 1.00 0.00 ATOM 193 O PHE 23 44.399 1.099 24.620 1.00 0.00 ATOM 194 C PHE 23 43.503 1.824 25.043 1.00 0.00 ATOM 195 N SER 24 42.227 1.446 25.104 1.00 0.00 ATOM 196 CA SER 24 41.784 0.095 24.702 1.00 0.00 ATOM 197 CB SER 24 40.300 -0.068 24.967 1.00 0.00 ATOM 198 OG SER 24 39.525 0.777 24.164 1.00 0.00 ATOM 199 O SER 24 42.450 -1.337 22.902 1.00 0.00 ATOM 200 C SER 24 42.075 -0.216 23.228 1.00 0.00 ATOM 201 N ASP 25 42.080 0.837 22.413 1.00 0.00 ATOM 202 CA ASP 25 42.351 0.723 20.968 1.00 0.00 ATOM 203 CB ASP 25 42.023 2.039 20.255 1.00 0.00 ATOM 204 CG ASP 25 40.534 2.325 20.120 1.00 0.00 ATOM 205 OD1 ASP 25 39.753 1.432 20.347 1.00 0.00 ATOM 206 OD2 ASP 25 40.184 3.467 19.943 1.00 0.00 ATOM 207 O ASP 25 44.049 -0.274 19.598 1.00 0.00 ATOM 208 C ASP 25 43.790 0.335 20.638 1.00 0.00 ATOM 209 N ILE 26 44.691 0.697 21.550 1.00 0.00 ATOM 210 CA ILE 26 46.139 0.471 21.367 1.00 0.00 ATOM 211 CB ILE 26 46.867 1.737 21.834 1.00 0.00 ATOM 212 CG1 ILE 26 46.592 2.907 20.878 1.00 0.00 ATOM 213 CG2 ILE 26 48.370 1.487 21.977 1.00 0.00 ATOM 214 CD1 ILE 26 47.116 4.272 21.340 1.00 0.00 ATOM 215 O ILE 26 47.312 -1.628 21.529 1.00 0.00 ATOM 216 C ILE 26 46.582 -0.814 22.096 1.00 0.00 ATOM 217 N CYS 27 46.204 -0.926 23.367 1.00 0.00 ATOM 218 CA CYS 27 46.609 -2.063 24.224 1.00 0.00 ATOM 219 CB CYS 27 47.607 -1.562 25.264 1.00 0.00 ATOM 220 SG CYS 27 49.078 -0.927 24.387 1.00 0.00 ATOM 221 O CYS 27 45.155 -2.677 26.044 1.00 0.00 ATOM 222 C CYS 27 45.382 -2.756 24.833 1.00 0.00 ATOM 223 N PRO 28 44.639 -3.515 24.027 1.00 0.00 ATOM 224 CA PRO 28 43.368 -4.126 24.483 1.00 0.00 ATOM 225 CB PRO 28 42.719 -4.721 23.238 1.00 0.00 ATOM 226 CG PRO 28 43.900 -4.967 22.317 1.00 0.00 ATOM 227 CD PRO 28 44.883 -3.830 22.601 1.00 0.00 ATOM 228 O PRO 28 42.750 -4.975 26.593 1.00 0.00 ATOM 229 C PRO 28 43.491 -5.123 25.632 1.00 0.00 ATOM 230 N LYS 29 44.478 -6.031 25.616 1.00 0.00 ATOM 231 CA LYS 29 44.654 -6.999 26.735 1.00 0.00 ATOM 232 CB LYS 29 45.678 -8.071 26.360 1.00 0.00 ATOM 233 CG LYS 29 45.206 -9.049 25.294 1.00 0.00 ATOM 234 CD LYS 29 46.276 -10.081 24.975 1.00 0.00 ATOM 235 CE LYS 29 45.818 -11.038 23.884 1.00 0.00 ATOM 236 NZ LYS 29 46.864 -12.039 23.545 1.00 0.00 ATOM 237 O LYS 29 44.511 -6.685 29.093 1.00 0.00 ATOM 238 C LYS 29 45.081 -6.365 28.057 1.00 0.00 ATOM 239 N THR 30 46.027 -5.418 27.957 1.00 0.00 ATOM 240 CA THR 30 46.533 -4.667 29.126 1.00 0.00 ATOM 241 CB THR 30 47.731 -3.776 28.751 1.00 0.00 ATOM 242 CG2 THR 30 48.296 -3.093 29.986 1.00 0.00 ATOM 243 OG1 THR 30 48.753 -4.577 28.142 1.00 0.00 ATOM 244 O THR 30 45.153 -3.882 30.933 1.00 0.00 ATOM 245 C THR 30 45.420 -3.798 29.733 1.00 0.00 ATOM 246 N CYS 31 44.665 -3.144 28.866 1.00 0.00 ATOM 247 CA CYS 31 43.502 -2.328 29.268 1.00 0.00 ATOM 248 CB CYS 31 42.935 -1.554 28.081 1.00 0.00 ATOM 249 SG CYS 31 44.055 -0.191 27.603 1.00 0.00 ATOM 250 O CYS 31 41.841 -2.755 30.937 1.00 0.00 ATOM 251 C CYS 31 42.389 -3.148 29.918 1.00 0.00 ATOM 252 N LYS 32 42.138 -4.316 29.338 1.00 0.00 ATOM 253 CA LYS 32 41.150 -5.273 29.862 1.00 0.00 ATOM 254 CB LYS 32 40.999 -6.461 28.911 1.00 0.00 ATOM 255 CG LYS 32 39.960 -7.486 29.346 1.00 0.00 ATOM 256 CD LYS 32 39.811 -8.595 28.313 1.00 0.00 ATOM 257 CE LYS 32 38.799 -9.639 28.764 1.00 0.00 ATOM 258 NZ LYS 32 38.660 -10.742 27.774 1.00 0.00 ATOM 259 O LYS 32 40.714 -5.769 32.175 1.00 0.00 ATOM 260 C LYS 32 41.528 -5.772 31.259 1.00 0.00 ATOM 261 N ASN 33 42.814 -6.096 31.391 1.00 0.00 ATOM 262 CA ASN 33 43.386 -6.541 32.680 1.00 0.00 ATOM 263 CB ASN 33 44.838 -6.963 32.484 1.00 0.00 ATOM 264 CG ASN 33 45.490 -7.377 33.801 1.00 0.00 ATOM 265 ND2 ASN 33 46.403 -6.544 34.236 1.00 0.00 ATOM 266 OD1 ASN 33 45.147 -8.342 34.457 1.00 0.00 ATOM 267 O ASN 33 42.674 -5.752 34.834 1.00 0.00 ATOM 268 C ASN 33 43.230 -5.476 33.770 1.00 0.00 ATOM 269 N PHE 34 43.581 -4.236 33.410 1.00 0.00 ATOM 270 CA PHE 34 43.468 -3.088 34.329 1.00 0.00 ATOM 271 CB PHE 34 44.129 -1.849 33.721 1.00 0.00 ATOM 272 CG PHE 34 44.257 -0.699 34.680 1.00 0.00 ATOM 273 CD1 PHE 34 45.261 -0.684 35.636 1.00 0.00 ATOM 274 CD2 PHE 34 43.374 0.369 34.627 1.00 0.00 ATOM 275 CE1 PHE 34 45.380 0.373 36.518 1.00 0.00 ATOM 276 CE2 PHE 34 43.491 1.427 35.507 1.00 0.00 ATOM 277 CZ PHE 34 44.497 1.429 36.454 1.00 0.00 ATOM 278 O PHE 34 41.671 -2.615 35.861 1.00 0.00 ATOM 279 C PHE 34 42.005 -2.762 34.692 1.00 0.00 ATOM 280 N LEU 35 41.131 -2.771 33.686 1.00 0.00 ATOM 281 CA LEU 35 39.703 -2.469 33.865 1.00 0.00 ATOM 282 CB LEU 35 39.025 -2.415 32.492 1.00 0.00 ATOM 283 CG LEU 35 37.629 -1.813 32.539 1.00 0.00 ATOM 284 CD1 LEU 35 37.371 -1.017 31.263 1.00 0.00 ATOM 285 CD2 LEU 35 36.577 -2.920 32.616 1.00 0.00 ATOM 286 O LEU 35 38.289 -3.128 35.707 1.00 0.00 ATOM 287 C LEU 35 39.008 -3.494 34.775 1.00 0.00 ATOM 288 N CYS 36 39.352 -4.757 34.564 1.00 0.00 ATOM 289 CA CYS 36 38.804 -5.847 35.382 1.00 0.00 ATOM 290 CB CYS 36 39.122 -7.163 34.699 1.00 0.00 ATOM 291 SG CYS 36 38.166 -7.290 33.136 1.00 0.00 ATOM 292 O CYS 36 38.558 -6.130 37.739 1.00 0.00 ATOM 293 C CYS 36 39.315 -5.848 36.817 1.00 0.00 ATOM 294 N LEU 37 40.574 -5.447 36.994 1.00 0.00 ATOM 295 CA LEU 37 41.144 -5.285 38.335 1.00 0.00 ATOM 296 CB LEU 37 42.654 -5.036 38.241 1.00 0.00 ATOM 297 CG LEU 37 43.484 -6.231 37.753 1.00 0.00 ATOM 298 CD1 LEU 37 44.933 -5.811 37.548 1.00 0.00 ATOM 299 CD2 LEU 37 43.389 -7.363 38.766 1.00 0.00 ATOM 300 O LEU 37 40.368 -4.210 40.350 1.00 0.00 ATOM 301 C LEU 37 40.485 -4.145 39.131 1.00 0.00 ATOM 302 N CYS 38 40.061 -3.114 38.404 1.00 0.00 ATOM 303 CA CYS 38 39.325 -1.977 39.000 1.00 0.00 ATOM 304 CB CYS 38 39.293 -0.809 38.023 1.00 0.00 ATOM 305 SG CYS 38 41.003 -0.193 37.851 1.00 0.00 ATOM 306 O CYS 38 37.499 -1.889 40.496 1.00 0.00 ATOM 307 C CYS 38 37.916 -2.348 39.448 1.00 0.00 ATOM 308 N SER 39 37.226 -3.144 38.645 1.00 0.00 ATOM 309 CA SER 39 35.858 -3.581 38.960 1.00 0.00 ATOM 310 CB SER 39 35.084 -3.834 37.681 1.00 0.00 ATOM 311 OG SER 39 35.614 -4.901 36.948 1.00 0.00 ATOM 312 O SER 39 34.771 -5.019 40.527 1.00 0.00 ATOM 313 C SER 39 35.768 -4.835 39.836 1.00 0.00 ATOM 314 N GLY 40 36.758 -5.711 39.718 1.00 0.00 ATOM 315 CA GLY 40 36.799 -7.024 40.386 1.00 0.00 ATOM 316 O GLY 40 35.568 -9.078 40.369 1.00 0.00 ATOM 317 C GLY 40 35.787 -8.021 39.797 1.00 0.00 ATOM 318 N GLU 41 35.421 -7.795 38.530 1.00 0.00 ATOM 319 CA GLU 41 34.426 -8.641 37.852 1.00 0.00 ATOM 320 CB GLU 41 33.607 -7.815 36.860 1.00 0.00 ATOM 321 CG GLU 41 32.755 -6.727 37.500 1.00 0.00 ATOM 322 CD GLU 41 31.973 -5.964 36.467 1.00 0.00 ATOM 323 OE1 GLU 41 32.091 -6.283 35.307 1.00 0.00 ATOM 324 OE2 GLU 41 31.175 -5.140 36.843 1.00 0.00 ATOM 325 O GLU 41 34.399 -10.494 36.250 1.00 0.00 ATOM 326 C GLU 41 35.003 -9.849 37.097 1.00 0.00 ATOM 327 N LYS 42 36.234 -10.182 37.461 1.00 0.00 ATOM 328 CA LYS 42 36.934 -11.343 36.913 1.00 0.00 ATOM 329 CB LYS 42 38.283 -10.930 36.317 1.00 0.00 ATOM 330 CG LYS 42 38.087 -10.302 34.943 1.00 0.00 ATOM 331 CD LYS 42 37.599 -11.297 33.910 1.00 0.00 ATOM 332 CE LYS 42 38.724 -12.219 33.513 1.00 0.00 ATOM 333 NZ LYS 42 38.199 -13.131 32.528 1.00 0.00 ATOM 334 O LYS 42 37.417 -13.612 37.432 1.00 0.00 ATOM 335 C LYS 42 37.098 -12.512 37.884 1.00 0.00 ATOM 336 N GLY 43 37.014 -12.203 39.181 1.00 0.00 ATOM 337 CA GLY 43 37.090 -13.206 40.263 1.00 0.00 ATOM 338 O GLY 43 38.793 -12.143 41.552 1.00 0.00 ATOM 339 C GLY 43 38.374 -13.192 41.071 1.00 0.00 ATOM 340 N LEU 44 38.825 -14.400 41.370 1.00 0.00 ATOM 341 CA LEU 44 40.061 -14.640 42.136 1.00 0.00 ATOM 342 CB LEU 44 39.913 -15.732 43.185 1.00 0.00 ATOM 343 CG LEU 44 38.698 -15.545 44.086 1.00 0.00 ATOM 344 CD1 LEU 44 38.578 -16.800 44.913 1.00 0.00 ATOM 345 CD2 LEU 44 38.838 -14.357 45.034 1.00 0.00 ATOM 346 O LEU 44 41.018 -15.668 40.170 1.00 0.00 ATOM 347 C LEU 44 41.216 -15.067 41.228 1.00 0.00 ATOM 348 N GLY 45 42.410 -14.796 41.730 1.00 0.00 ATOM 349 CA GLY 45 43.682 -15.098 41.070 1.00 0.00 ATOM 350 O GLY 45 43.696 -17.388 41.775 1.00 0.00 ATOM 351 C GLY 45 43.899 -16.591 40.874 1.00 0.00 ATOM 352 N LYS 46 44.248 -16.961 39.658 1.00 0.00 ATOM 353 CA LYS 46 44.581 -18.368 39.315 1.00 0.00 ATOM 354 CB LYS 46 45.045 -18.469 37.862 1.00 0.00 ATOM 355 CG LYS 46 45.373 -19.885 37.404 1.00 0.00 ATOM 356 CD LYS 46 45.765 -19.914 35.934 1.00 0.00 ATOM 357 CE LYS 46 46.137 -21.320 35.486 1.00 0.00 ATOM 358 NZ LYS 46 46.517 -21.365 34.049 1.00 0.00 ATOM 359 O LYS 46 45.519 -20.077 40.741 1.00 0.00 ATOM 360 C LYS 46 45.662 -18.963 40.241 1.00 0.00 ATOM 361 N THR 47 46.763 -18.241 40.374 1.00 0.00 ATOM 362 CA THR 47 47.902 -18.722 41.184 1.00 0.00 ATOM 363 CB THR 47 49.246 -18.235 40.612 1.00 0.00 ATOM 364 CG2 THR 47 49.452 -18.769 39.203 1.00 0.00 ATOM 365 OG1 THR 47 49.266 -16.803 40.585 1.00 0.00 ATOM 366 O THR 47 48.219 -19.043 43.538 1.00 0.00 ATOM 367 C THR 47 47.814 -18.282 42.644 1.00 0.00 ATOM 368 N THR 48 47.384 -17.049 42.881 1.00 0.00 ATOM 369 CA THR 48 47.308 -16.534 44.252 1.00 0.00 ATOM 370 CB THR 48 47.416 -15.009 44.410 1.00 0.00 ATOM 371 CG2 THR 48 48.663 -14.441 43.725 1.00 0.00 ATOM 372 OG1 THR 48 46.182 -14.393 44.019 1.00 0.00 ATOM 373 O THR 48 45.994 -16.934 46.196 1.00 0.00 ATOM 374 C THR 48 46.027 -16.966 44.967 1.00 0.00 ATOM 375 N GLY 49 44.951 -17.136 44.209 1.00 0.00 ATOM 376 CA GLY 49 43.606 -17.437 44.746 1.00 0.00 ATOM 377 O GLY 49 41.781 -16.377 45.916 1.00 0.00 ATOM 378 C GLY 49 42.881 -16.243 45.397 1.00 0.00 ATOM 379 N LYS 50 43.502 -15.078 45.358 1.00 0.00 ATOM 380 CA LYS 50 42.949 -13.884 46.024 1.00 0.00 ATOM 381 CB LYS 50 44.073 -13.028 46.609 1.00 0.00 ATOM 382 CG LYS 50 44.862 -13.702 47.723 1.00 0.00 ATOM 383 CD LYS 50 45.926 -12.772 48.289 1.00 0.00 ATOM 384 CE LYS 50 46.706 -13.441 49.411 1.00 0.00 ATOM 385 NZ LYS 50 47.747 -12.541 49.979 1.00 0.00 ATOM 386 O LYS 50 42.150 -13.216 43.864 1.00 0.00 ATOM 387 C LYS 50 42.092 -13.030 45.064 1.00 0.00 ATOM 388 N LYS 51 41.273 -12.116 45.589 1.00 0.00 ATOM 389 CA LYS 51 40.389 -11.281 44.750 1.00 0.00 ATOM 390 CB LYS 51 39.534 -10.361 45.623 1.00 0.00 ATOM 391 CG LYS 51 38.531 -9.515 44.851 1.00 0.00 ATOM 392 CD LYS 51 37.669 -8.684 45.790 1.00 0.00 ATOM 393 CE LYS 51 36.664 -7.841 45.020 1.00 0.00 ATOM 394 NZ LYS 51 35.819 -7.016 45.926 1.00 0.00 ATOM 395 O LYS 51 42.186 -9.806 44.135 1.00 0.00 ATOM 396 C LYS 51 41.221 -10.462 43.755 1.00 0.00 ATOM 397 N LEU 52 40.762 -10.433 42.521 1.00 0.00 ATOM 398 CA LEU 52 41.436 -9.657 41.464 1.00 0.00 ATOM 399 CB LEU 52 41.254 -10.352 40.097 1.00 0.00 ATOM 400 CG LEU 52 41.876 -11.750 40.020 1.00 0.00 ATOM 401 CD1 LEU 52 41.441 -12.418 38.707 1.00 0.00 ATOM 402 CD2 LEU 52 43.401 -11.679 40.102 1.00 0.00 ATOM 403 O LEU 52 40.085 -7.860 40.575 1.00 0.00 ATOM 404 C LEU 52 40.886 -8.227 41.437 1.00 0.00 ATOM 405 N CYS 53 41.287 -7.447 42.441 1.00 0.00 ATOM 406 CA CYS 53 40.816 -6.046 42.555 1.00 0.00 ATOM 407 CB CYS 53 39.406 -5.995 43.151 1.00 0.00 ATOM 408 SG CYS 53 38.805 -4.267 43.116 1.00 0.00 ATOM 409 O CYS 53 42.200 -5.438 44.410 1.00 0.00 ATOM 410 C CYS 53 41.741 -5.103 43.331 1.00 0.00 ATOM 411 N TYR 54 41.764 -3.836 42.917 1.00 0.00 ATOM 412 CA TYR 54 42.512 -2.750 43.593 1.00 0.00 ATOM 413 CB TYR 54 42.706 -1.562 42.651 1.00 0.00 ATOM 414 CG TYR 54 43.492 -1.931 41.392 1.00 0.00 ATOM 415 CD1 TYR 54 42.879 -1.786 40.150 1.00 0.00 ATOM 416 CD2 TYR 54 44.804 -2.375 41.460 1.00 0.00 ATOM 417 CE1 TYR 54 43.587 -2.069 38.997 1.00 0.00 ATOM 418 CE2 TYR 54 45.502 -2.679 40.299 1.00 0.00 ATOM 419 CZ TYR 54 44.899 -2.512 39.066 1.00 0.00 ATOM 420 OH TYR 54 45.592 -2.773 37.922 1.00 0.00 ATOM 421 O TYR 54 42.592 -1.461 45.629 1.00 0.00 ATOM 422 C TYR 54 41.936 -2.213 44.910 1.00 0.00 ATOM 423 N LYS 55 40.674 -2.527 45.201 1.00 0.00 ATOM 424 CA LYS 55 39.988 -2.013 46.414 1.00 0.00 ATOM 425 CB LYS 55 38.546 -2.520 46.470 1.00 0.00 ATOM 426 CG LYS 55 37.733 -1.978 47.638 1.00 0.00 ATOM 427 CD LYS 55 36.287 -2.443 47.569 1.00 0.00 ATOM 428 CE LYS 55 35.492 -1.965 48.775 1.00 0.00 ATOM 429 NZ LYS 55 34.055 -2.337 48.678 1.00 0.00 ATOM 430 O LYS 55 40.919 -3.610 47.972 1.00 0.00 ATOM 431 C LYS 55 40.745 -2.421 47.687 1.00 0.00 ATOM 432 N GLY 56 41.212 -1.400 48.398 1.00 0.00 ATOM 433 CA GLY 56 41.954 -1.597 49.652 1.00 0.00 ATOM 434 O GLY 56 44.162 -1.795 50.505 1.00 0.00 ATOM 435 C GLY 56 43.469 -1.746 49.501 1.00 0.00 ATOM 436 N SER 57 43.958 -1.950 48.273 1.00 0.00 ATOM 437 CA SER 57 45.408 -1.991 48.030 1.00 0.00 ATOM 438 CB SER 57 45.742 -2.533 46.631 1.00 0.00 ATOM 439 OG SER 57 45.422 -1.559 45.627 1.00 0.00 ATOM 440 O SER 57 45.304 0.386 48.497 1.00 0.00 ATOM 441 C SER 57 46.015 -0.595 48.242 1.00 0.00 ATOM 442 N THR 58 47.336 -0.537 48.171 1.00 0.00 ATOM 443 CA THR 58 48.106 0.669 48.492 1.00 0.00 ATOM 444 CB THR 58 49.005 0.454 49.723 1.00 0.00 ATOM 445 CG2 THR 58 48.176 0.005 50.917 1.00 0.00 ATOM 446 OG1 THR 58 49.992 -0.543 49.430 1.00 0.00 ATOM 447 O THR 58 49.056 0.533 46.258 1.00 0.00 ATOM 448 C THR 58 48.991 1.135 47.327 1.00 0.00 ATOM 449 N PHE 59 49.575 2.291 47.574 1.00 0.00 ATOM 450 CA PHE 59 50.672 2.808 46.739 1.00 0.00 ATOM 451 CB PHE 59 50.370 4.235 46.280 1.00 0.00 ATOM 452 CG PHE 59 49.274 4.322 45.256 1.00 0.00 ATOM 453 CD1 PHE 59 47.942 4.231 45.634 1.00 0.00 ATOM 454 CD2 PHE 59 49.572 4.492 43.912 1.00 0.00 ATOM 455 CE1 PHE 59 46.934 4.311 44.691 1.00 0.00 ATOM 456 CE2 PHE 59 48.566 4.574 42.969 1.00 0.00 ATOM 457 CZ PHE 59 47.244 4.483 43.360 1.00 0.00 ATOM 458 O PHE 59 52.365 3.698 48.209 1.00 0.00 ATOM 459 C PHE 59 51.951 2.727 47.577 1.00 0.00 ATOM 460 N HIS 60 52.519 1.519 47.538 1.00 0.00 ATOM 461 CA HIS 60 53.696 1.099 48.346 1.00 0.00 ATOM 462 CB HIS 60 53.969 -0.409 48.218 1.00 0.00 ATOM 463 CG HIS 60 54.155 -0.841 46.768 1.00 0.00 ATOM 464 CD2 HIS 60 55.290 -1.101 46.131 1.00 0.00 ATOM 465 ND1 HIS 60 53.155 -1.003 45.903 1.00 0.00 ATOM 466 CE1 HIS 60 53.671 -1.379 44.735 1.00 0.00 ATOM 467 NE2 HIS 60 54.985 -1.430 44.872 1.00 0.00 ATOM 468 O HIS 60 55.852 1.904 48.991 1.00 0.00 ATOM 469 C HIS 60 54.992 1.868 48.105 1.00 0.00 ATOM 470 N ARG 61 55.156 2.369 46.891 1.00 0.00 ATOM 471 CA ARG 61 56.388 3.081 46.498 1.00 0.00 ATOM 472 CB ARG 61 57.283 2.233 45.606 1.00 0.00 ATOM 473 CG ARG 61 58.562 2.916 45.149 1.00 0.00 ATOM 474 CD ARG 61 59.473 2.045 44.364 1.00 0.00 ATOM 475 NE ARG 61 60.682 2.705 43.895 1.00 0.00 ATOM 476 CZ ARG 61 61.675 2.094 43.221 1.00 0.00 ATOM 477 NH1 ARG 61 61.629 0.803 42.969 1.00 0.00 ATOM 478 NH2 ARG 61 62.711 2.820 42.841 1.00 0.00 ATOM 479 O ARG 61 55.304 4.504 44.900 1.00 0.00 ATOM 480 C ARG 61 56.078 4.423 45.852 1.00 0.00 ATOM 481 N VAL 62 56.878 5.397 46.253 1.00 0.00 ATOM 482 CA VAL 62 56.766 6.759 45.730 1.00 0.00 ATOM 483 CB VAL 62 55.930 7.596 46.715 1.00 0.00 ATOM 484 CG1 VAL 62 55.903 9.050 46.285 1.00 0.00 ATOM 485 CG2 VAL 62 54.471 7.135 46.796 1.00 0.00 ATOM 486 O VAL 62 59.004 7.307 46.442 1.00 0.00 ATOM 487 C VAL 62 58.176 7.309 45.537 1.00 0.00 ATOM 488 N VAL 63 58.430 7.757 44.315 1.00 0.00 ATOM 489 CA VAL 63 59.708 8.404 43.966 1.00 0.00 ATOM 490 CB VAL 63 60.369 7.715 42.754 1.00 0.00 ATOM 491 CG1 VAL 63 61.697 8.397 42.371 1.00 0.00 ATOM 492 CG2 VAL 63 60.642 6.239 43.033 1.00 0.00 ATOM 493 O VAL 63 58.716 10.207 42.739 1.00 0.00 ATOM 494 C VAL 63 59.410 9.876 43.700 1.00 0.00 ATOM 495 N LYS 64 60.022 10.736 44.524 1.00 0.00 ATOM 496 CA LYS 64 59.876 12.194 44.325 1.00 0.00 ATOM 497 CB LYS 64 60.570 12.961 45.452 1.00 0.00 ATOM 498 CG LYS 64 60.405 14.473 45.379 1.00 0.00 ATOM 499 CD LYS 64 61.052 15.158 46.573 1.00 0.00 ATOM 500 CE LYS 64 60.878 16.670 46.506 1.00 0.00 ATOM 501 NZ LYS 64 61.511 17.355 47.665 1.00 0.00 ATOM 502 O LYS 64 61.507 12.097 42.563 1.00 0.00 ATOM 503 C LYS 64 60.447 12.587 42.973 1.00 0.00 ATOM 504 N ASN 65 59.701 13.431 42.280 1.00 0.00 ATOM 505 CA ASN 65 60.044 13.901 40.919 1.00 0.00 ATOM 506 CB ASN 65 61.332 14.704 40.918 1.00 0.00 ATOM 507 CG ASN 65 61.218 16.031 41.614 1.00 0.00 ATOM 508 ND2 ASN 65 62.342 16.539 42.049 1.00 0.00 ATOM 509 OD1 ASN 65 60.136 16.624 41.690 1.00 0.00 ATOM 510 O ASN 65 60.928 12.999 38.862 1.00 0.00 ATOM 511 C ASN 65 60.183 12.820 39.837 1.00 0.00 ATOM 512 N PHE 66 59.474 11.717 40.013 1.00 0.00 ATOM 513 CA PHE 66 59.442 10.648 39.006 1.00 0.00 ATOM 514 CB PHE 66 60.508 9.595 39.311 1.00 0.00 ATOM 515 CG PHE 66 60.622 8.525 38.263 1.00 0.00 ATOM 516 CD1 PHE 66 60.009 8.676 37.027 1.00 0.00 ATOM 517 CD2 PHE 66 61.340 7.364 38.510 1.00 0.00 ATOM 518 CE1 PHE 66 60.112 7.693 36.062 1.00 0.00 ATOM 519 CE2 PHE 66 61.444 6.379 37.545 1.00 0.00 ATOM 520 CZ PHE 66 60.830 6.544 36.321 1.00 0.00 ATOM 521 O PHE 66 57.511 9.914 37.809 1.00 0.00 ATOM 522 C PHE 66 58.081 9.958 38.898 1.00 0.00 ATOM 523 N MET 67 57.755 9.167 39.922 1.00 0.00 ATOM 524 CA MET 67 56.569 8.299 39.866 1.00 0.00 ATOM 525 CB MET 67 56.873 7.043 39.050 1.00 0.00 ATOM 526 CG MET 67 57.921 6.128 39.670 1.00 0.00 ATOM 527 SD MET 67 58.410 4.787 38.569 1.00 0.00 ATOM 528 CE MET 67 59.285 3.716 39.707 1.00 0.00 ATOM 529 O MET 67 56.707 7.861 42.242 1.00 0.00 ATOM 530 C MET 67 56.019 7.860 41.231 1.00 0.00 ATOM 531 N ILE 68 54.821 7.299 41.136 1.00 0.00 ATOM 532 CA ILE 68 54.172 6.548 42.221 1.00 0.00 ATOM 533 CB ILE 68 52.915 7.273 42.738 1.00 0.00 ATOM 534 CG1 ILE 68 51.818 7.263 41.671 1.00 0.00 ATOM 535 CG2 ILE 68 53.254 8.699 43.145 1.00 0.00 ATOM 536 CD1 ILE 68 50.488 7.792 42.159 1.00 0.00 ATOM 537 O ILE 68 53.445 5.001 40.525 1.00 0.00 ATOM 538 C ILE 68 53.816 5.152 41.691 1.00 0.00 ATOM 539 N GLN 69 53.996 4.154 42.543 1.00 0.00 ATOM 540 CA GLN 69 53.694 2.751 42.190 1.00 0.00 ATOM 541 CB GLN 69 55.003 1.980 42.112 1.00 0.00 ATOM 542 CG GLN 69 54.831 0.551 41.611 1.00 0.00 ATOM 543 CD GLN 69 56.187 -0.135 41.504 1.00 0.00 ATOM 544 OE1 GLN 69 57.192 0.472 41.187 1.00 0.00 ATOM 545 NE2 GLN 69 56.190 -1.419 41.750 1.00 0.00 ATOM 546 O GLN 69 52.904 2.227 44.409 1.00 0.00 ATOM 547 C GLN 69 52.726 2.113 43.198 1.00 0.00 ATOM 548 N GLY 70 51.790 1.369 42.607 1.00 0.00 ATOM 549 CA GLY 70 50.796 0.583 43.349 1.00 0.00 ATOM 550 O GLY 70 51.014 -1.026 41.554 1.00 0.00 ATOM 551 C GLY 70 50.379 -0.655 42.549 1.00 0.00 ATOM 552 N GLY 71 49.312 -1.269 43.036 1.00 0.00 ATOM 553 CA GLY 71 48.714 -2.446 42.370 1.00 0.00 ATOM 554 O GLY 71 48.611 -4.828 42.549 1.00 0.00 ATOM 555 C GLY 71 49.107 -3.794 42.990 1.00 0.00 ATOM 556 N ASP 72 49.923 -3.771 44.044 1.00 0.00 ATOM 557 CA ASP 72 50.246 -5.023 44.761 1.00 0.00 ATOM 558 CB ASP 72 51.644 -5.011 45.392 1.00 0.00 ATOM 559 CG ASP 72 52.049 -6.378 45.967 1.00 0.00 ATOM 560 OD1 ASP 72 51.209 -7.304 46.030 1.00 0.00 ATOM 561 OD2 ASP 72 53.176 -6.477 46.492 1.00 0.00 ATOM 562 O ASP 72 49.111 -4.846 46.912 1.00 0.00 ATOM 563 C ASP 72 49.142 -5.350 45.783 1.00 0.00 ATOM 564 N PHE 73 48.171 -6.135 45.340 1.00 0.00 ATOM 565 CA PHE 73 47.014 -6.486 46.194 1.00 0.00 ATOM 566 CB PHE 73 45.725 -6.609 45.361 1.00 0.00 ATOM 567 CG PHE 73 45.856 -7.637 44.248 1.00 0.00 ATOM 568 CD1 PHE 73 45.771 -8.984 44.506 1.00 0.00 ATOM 569 CD2 PHE 73 46.037 -7.224 42.942 1.00 0.00 ATOM 570 CE1 PHE 73 45.870 -9.958 43.521 1.00 0.00 ATOM 571 CE2 PHE 73 46.108 -8.182 41.938 1.00 0.00 ATOM 572 CZ PHE 73 46.034 -9.539 42.217 1.00 0.00 ATOM 573 O PHE 73 46.340 -8.078 47.874 1.00 0.00 ATOM 574 C PHE 73 47.190 -7.745 47.051 1.00 0.00 ATOM 575 N SER 74 48.287 -8.459 46.802 1.00 0.00 ATOM 576 CA SER 74 48.568 -9.729 47.492 1.00 0.00 ATOM 577 CB SER 74 49.112 -10.747 46.510 1.00 0.00 ATOM 578 OG SER 74 48.409 -10.737 45.298 1.00 0.00 ATOM 579 O SER 74 49.211 -10.140 49.711 1.00 0.00 ATOM 580 C SER 74 49.528 -9.613 48.643 1.00 0.00 ATOM 581 N GLU 75 50.640 -8.952 48.349 1.00 0.00 ATOM 582 CA GLU 75 51.711 -8.774 49.335 1.00 0.00 ATOM 583 CB GLU 75 53.057 -9.198 48.746 1.00 0.00 ATOM 584 CG GLU 75 53.133 -10.661 48.336 1.00 0.00 ATOM 585 CD GLU 75 53.208 -11.562 49.537 1.00 0.00 ATOM 586 OE1 GLU 75 53.391 -11.061 50.621 1.00 0.00 ATOM 587 OE2 GLU 75 52.969 -12.737 49.391 1.00 0.00 ATOM 588 O GLU 75 52.017 -7.036 50.994 1.00 0.00 ATOM 589 C GLU 75 51.775 -7.311 49.817 1.00 0.00 ATOM 590 N GLY 76 51.434 -6.388 48.935 1.00 0.00 ATOM 591 CA GLY 76 51.438 -4.948 49.234 1.00 0.00 ATOM 592 O GLY 76 52.864 -3.037 49.406 1.00 0.00 ATOM 593 C GLY 76 52.806 -4.256 49.275 1.00 0.00 ATOM 594 N ASN 77 53.885 -5.003 49.065 1.00 0.00 ATOM 595 CA ASN 77 55.250 -4.430 49.132 1.00 0.00 ATOM 596 CB ASN 77 56.064 -5.067 50.242 1.00 0.00 ATOM 597 CG ASN 77 56.300 -6.540 50.052 1.00 0.00 ATOM 598 ND2 ASN 77 56.968 -7.133 51.007 1.00 0.00 ATOM 599 OD1 ASN 77 55.819 -7.146 49.087 1.00 0.00 ATOM 600 O ASN 77 57.309 -4.375 47.853 1.00 0.00 ATOM 601 C ASN 77 56.083 -4.515 47.835 1.00 0.00 ATOM 602 N GLY 78 55.415 -4.799 46.721 1.00 0.00 ATOM 603 CA GLY 78 56.064 -4.897 45.397 1.00 0.00 ATOM 604 O GLY 78 56.842 -6.530 43.814 1.00 0.00 ATOM 605 C GLY 78 56.366 -6.331 44.933 1.00 0.00 ATOM 606 N LYS 79 56.318 -7.279 45.866 1.00 0.00 ATOM 607 CA LYS 79 56.598 -8.704 45.573 1.00 0.00 ATOM 608 CB LYS 79 57.125 -9.413 46.822 1.00 0.00 ATOM 609 CG LYS 79 58.487 -8.926 47.295 1.00 0.00 ATOM 610 CD LYS 79 58.944 -9.676 48.536 1.00 0.00 ATOM 611 CE LYS 79 60.319 -9.212 48.989 1.00 0.00 ATOM 612 NZ LYS 79 60.788 -9.954 50.192 1.00 0.00 ATOM 613 O LYS 79 55.639 -10.534 44.393 1.00 0.00 ATOM 614 C LYS 79 55.407 -9.512 45.042 1.00 0.00 ATOM 615 N GLY 80 54.186 -9.028 45.260 1.00 0.00 ATOM 616 CA GLY 80 52.977 -9.765 44.858 1.00 0.00 ATOM 617 O GLY 80 52.748 -8.491 42.808 1.00 0.00 ATOM 618 C GLY 80 52.198 -9.140 43.699 1.00 0.00 ATOM 619 N GLY 81 50.912 -9.488 43.710 1.00 0.00 ATOM 620 CA GLY 81 49.953 -9.121 42.666 1.00 0.00 ATOM 621 O GLY 81 50.699 -11.109 41.500 1.00 0.00 ATOM 622 C GLY 81 49.856 -10.211 41.600 1.00 0.00 ATOM 623 N GLU 82 48.784 -10.130 40.818 1.00 0.00 ATOM 624 CA GLU 82 48.465 -11.145 39.804 1.00 0.00 ATOM 625 CB GLU 82 47.762 -12.339 40.466 1.00 0.00 ATOM 626 CG GLU 82 47.362 -13.392 39.437 1.00 0.00 ATOM 627 CD GLU 82 46.849 -14.728 39.959 1.00 0.00 ATOM 628 OE1 GLU 82 46.654 -14.885 41.172 1.00 0.00 ATOM 629 OE2 GLU 82 46.796 -15.665 39.132 1.00 0.00 ATOM 630 O GLU 82 46.675 -9.754 39.139 1.00 0.00 ATOM 631 C GLU 82 47.541 -10.531 38.752 1.00 0.00 ATOM 632 N SER 83 47.773 -10.947 37.506 1.00 0.00 ATOM 633 CA SER 83 46.882 -10.651 36.368 1.00 0.00 ATOM 634 CB SER 83 47.591 -10.947 35.060 1.00 0.00 ATOM 635 OG SER 83 46.739 -10.802 33.956 1.00 0.00 ATOM 636 O SER 83 45.491 -12.575 36.833 1.00 0.00 ATOM 637 C SER 83 45.557 -11.427 36.410 1.00 0.00 ATOM 638 N ILE 84 44.548 -10.829 35.776 1.00 0.00 ATOM 639 CA ILE 84 43.250 -11.512 35.567 1.00 0.00 ATOM 640 CB ILE 84 42.202 -10.559 34.962 1.00 0.00 ATOM 641 CG1 ILE 84 42.583 -10.191 33.526 1.00 0.00 ATOM 642 CG2 ILE 84 42.064 -9.307 35.816 1.00 0.00 ATOM 643 CD1 ILE 84 41.517 -9.408 32.793 1.00 0.00 ATOM 644 O ILE 84 42.432 -13.539 34.546 1.00 0.00 ATOM 645 C ILE 84 43.375 -12.749 34.649 1.00 0.00 ATOM 646 N TYR 85 44.465 -12.835 33.897 1.00 0.00 ATOM 647 CA TYR 85 44.764 -13.965 32.991 1.00 0.00 ATOM 648 CB TYR 85 45.628 -13.497 31.818 1.00 0.00 ATOM 649 CG TYR 85 44.990 -12.409 30.982 1.00 0.00 ATOM 650 CD1 TYR 85 45.543 -11.141 30.920 1.00 0.00 ATOM 651 CD2 TYR 85 43.835 -12.659 30.254 1.00 0.00 ATOM 652 CE1 TYR 85 44.963 -10.144 30.158 1.00 0.00 ATOM 653 CE2 TYR 85 43.248 -11.670 29.487 1.00 0.00 ATOM 654 CZ TYR 85 43.815 -10.414 29.443 1.00 0.00 ATOM 655 OH TYR 85 43.234 -9.426 28.680 1.00 0.00 ATOM 656 O TYR 85 45.594 -16.258 33.189 1.00 0.00 ATOM 657 C TYR 85 45.474 -15.147 33.699 1.00 0.00 ATOM 658 N GLY 86 45.689 -14.998 34.998 1.00 0.00 ATOM 659 CA GLY 86 46.439 -15.976 35.796 1.00 0.00 ATOM 660 O GLY 86 48.414 -15.408 34.583 1.00 0.00 ATOM 661 C GLY 86 47.917 -15.682 35.676 1.00 0.00 ATOM 662 N GLY 87 48.556 -15.672 36.832 1.00 0.00 ATOM 663 CA GLY 87 49.987 -15.331 36.975 1.00 0.00 ATOM 664 O GLY 87 49.758 -12.939 36.714 1.00 0.00 ATOM 665 C GLY 87 50.302 -13.975 36.338 1.00 0.00 ATOM 666 N TYR 88 51.276 -14.002 35.440 1.00 0.00 ATOM 667 CA TYR 88 51.743 -12.833 34.672 1.00 0.00 ATOM 668 CB TYR 88 53.211 -12.540 34.986 1.00 0.00 ATOM 669 CG TYR 88 53.496 -12.346 36.459 1.00 0.00 ATOM 670 CD1 TYR 88 53.857 -13.417 37.263 1.00 0.00 ATOM 671 CD2 TYR 88 53.406 -11.089 37.040 1.00 0.00 ATOM 672 CE1 TYR 88 54.120 -13.244 38.608 1.00 0.00 ATOM 673 CE2 TYR 88 53.666 -10.905 38.384 1.00 0.00 ATOM 674 CZ TYR 88 54.022 -11.985 39.165 1.00 0.00 ATOM 675 OH TYR 88 54.281 -11.807 40.505 1.00 0.00 ATOM 676 O TYR 88 51.654 -14.154 32.607 1.00 0.00 ATOM 677 C TYR 88 51.555 -13.061 33.158 1.00 0.00 ATOM 678 N PHE 89 51.362 -11.951 32.460 1.00 0.00 ATOM 679 CA PHE 89 51.093 -11.958 31.017 1.00 0.00 ATOM 680 CB PHE 89 49.727 -11.307 30.725 1.00 0.00 ATOM 681 CG PHE 89 49.663 -9.807 31.028 1.00 0.00 ATOM 682 CD1 PHE 89 49.984 -8.901 30.045 1.00 0.00 ATOM 683 CD2 PHE 89 49.258 -9.351 32.270 1.00 0.00 ATOM 684 CE1 PHE 89 49.897 -7.546 30.292 1.00 0.00 ATOM 685 CE2 PHE 89 49.167 -7.993 32.526 1.00 0.00 ATOM 686 CZ PHE 89 49.485 -7.078 31.537 1.00 0.00 ATOM 687 O PHE 89 53.117 -10.647 30.788 1.00 0.00 ATOM 688 C PHE 89 52.238 -11.295 30.227 1.00 0.00 ATOM 689 N LYS 90 52.202 -11.525 28.915 1.00 0.00 ATOM 690 CA LYS 90 53.212 -10.986 27.984 1.00 0.00 ATOM 691 CB LYS 90 53.150 -11.721 26.643 1.00 0.00 ATOM 692 CG LYS 90 53.575 -13.183 26.707 1.00 0.00 ATOM 693 CD LYS 90 53.499 -13.841 25.338 1.00 0.00 ATOM 694 CE LYS 90 53.947 -15.294 25.396 1.00 0.00 ATOM 695 NZ LYS 90 53.874 -15.952 24.063 1.00 0.00 ATOM 696 O LYS 90 51.940 -8.950 27.681 1.00 0.00 ATOM 697 C LYS 90 53.055 -9.484 27.741 1.00 0.00 ATOM 698 N ASP 91 54.158 -8.850 27.406 1.00 0.00 ATOM 699 CA ASP 91 54.145 -7.439 26.974 1.00 0.00 ATOM 700 CB ASP 91 55.568 -6.875 26.938 1.00 0.00 ATOM 701 CG ASP 91 56.227 -6.745 28.304 1.00 0.00 ATOM 702 OD1 ASP 91 55.598 -6.230 29.199 1.00 0.00 ATOM 703 OD2 ASP 91 57.285 -7.297 28.487 1.00 0.00 ATOM 704 O ASP 91 53.733 -8.117 24.686 1.00 0.00 ATOM 705 C ASP 91 53.480 -7.314 25.595 1.00 0.00 ATOM 706 N GLU 92 52.566 -6.357 25.514 1.00 0.00 ATOM 707 CA GLU 92 51.889 -5.977 24.266 1.00 0.00 ATOM 708 CB GLU 92 50.575 -5.253 24.569 1.00 0.00 ATOM 709 CG GLU 92 49.528 -6.112 25.263 1.00 0.00 ATOM 710 CD GLU 92 49.087 -7.251 24.386 1.00 0.00 ATOM 711 OE1 GLU 92 48.702 -7.001 23.270 1.00 0.00 ATOM 712 OE2 GLU 92 49.241 -8.380 24.790 1.00 0.00 ATOM 713 O GLU 92 53.894 -4.672 23.995 1.00 0.00 ATOM 714 C GLU 92 52.864 -5.105 23.475 1.00 0.00 ATOM 715 N ASN 93 52.513 -4.830 22.223 1.00 0.00 ATOM 716 CA ASN 93 53.333 -3.919 21.412 1.00 0.00 ATOM 717 CB ASN 93 52.721 -3.694 20.042 1.00 0.00 ATOM 718 CG ASN 93 52.799 -4.893 19.138 1.00 0.00 ATOM 719 ND2 ASN 93 52.013 -4.864 18.093 1.00 0.00 ATOM 720 OD1 ASN 93 53.611 -5.801 19.346 1.00 0.00 ATOM 721 O ASN 93 52.550 -1.912 22.437 1.00 0.00 ATOM 722 C ASN 93 53.536 -2.588 22.135 1.00 0.00 ATOM 723 N PHE 94 54.781 -2.164 22.275 1.00 0.00 ATOM 724 CA PHE 94 55.077 -0.830 22.844 1.00 0.00 ATOM 725 CB PHE 94 56.551 -0.735 23.245 1.00 0.00 ATOM 726 CG PHE 94 56.959 -1.729 24.294 1.00 0.00 ATOM 727 CD1 PHE 94 57.676 -2.865 23.951 1.00 0.00 ATOM 728 CD2 PHE 94 56.625 -1.532 25.627 1.00 0.00 ATOM 729 CE1 PHE 94 58.052 -3.781 24.916 1.00 0.00 ATOM 730 CE2 PHE 94 57.000 -2.445 26.592 1.00 0.00 ATOM 731 CZ PHE 94 57.715 -3.571 26.236 1.00 0.00 ATOM 732 O PHE 94 55.599 0.966 21.301 1.00 0.00 ATOM 733 C PHE 94 54.734 0.303 21.867 1.00 0.00 ATOM 734 N ILE 95 53.438 0.491 21.660 1.00 0.00 ATOM 735 CA ILE 95 52.894 1.625 20.875 1.00 0.00 ATOM 736 CB ILE 95 51.387 1.455 20.608 1.00 0.00 ATOM 737 CG1 ILE 95 51.125 0.169 19.820 1.00 0.00 ATOM 738 CG2 ILE 95 50.841 2.662 19.860 1.00 0.00 ATOM 739 CD1 ILE 95 51.773 0.147 18.456 1.00 0.00 ATOM 740 O ILE 95 53.740 3.865 21.096 1.00 0.00 ATOM 741 C ILE 95 53.166 2.928 21.653 1.00 0.00 ATOM 742 N LEU 96 52.365 3.073 22.699 1.00 0.00 ATOM 743 CA LEU 96 52.382 4.241 23.584 1.00 0.00 ATOM 744 CB LEU 96 51.268 4.128 24.633 1.00 0.00 ATOM 745 CG LEU 96 49.854 4.418 24.115 1.00 0.00 ATOM 746 CD1 LEU 96 48.821 3.942 25.130 1.00 0.00 ATOM 747 CD2 LEU 96 49.703 5.908 23.852 1.00 0.00 ATOM 748 O LEU 96 54.386 3.403 24.611 1.00 0.00 ATOM 749 C LEU 96 53.753 4.386 24.263 1.00 0.00 ATOM 750 N LYS 97 54.148 5.648 24.370 1.00 0.00 ATOM 751 CA LYS 97 55.440 6.049 24.936 1.00 0.00 ATOM 752 CB LYS 97 56.312 6.708 23.867 1.00 0.00 ATOM 753 CG LYS 97 56.738 5.777 22.739 1.00 0.00 ATOM 754 CD LYS 97 57.622 6.497 21.731 1.00 0.00 ATOM 755 CE LYS 97 58.062 5.561 20.615 1.00 0.00 ATOM 756 NZ LYS 97 58.946 6.245 19.632 1.00 0.00 ATOM 757 O LYS 97 54.267 7.693 26.254 1.00 0.00 ATOM 758 C LYS 97 55.283 6.998 26.122 1.00 0.00 ATOM 759 N HIS 98 56.317 7.025 26.955 1.00 0.00 ATOM 760 CA HIS 98 56.415 7.933 28.105 1.00 0.00 ATOM 761 CB HIS 98 57.371 7.367 29.161 1.00 0.00 ATOM 762 CG HIS 98 56.928 6.056 29.734 1.00 0.00 ATOM 763 CD2 HIS 98 56.347 5.751 30.917 1.00 0.00 ATOM 764 ND1 HIS 98 57.067 4.863 29.056 1.00 0.00 ATOM 765 CE1 HIS 98 56.593 3.880 29.800 1.00 0.00 ATOM 766 NE2 HIS 98 56.149 4.391 30.933 1.00 0.00 ATOM 767 O HIS 98 57.792 9.929 28.249 1.00 0.00 ATOM 768 C HIS 98 56.881 9.330 27.667 1.00 0.00 ATOM 769 N ASP 99 56.032 9.921 26.835 1.00 0.00 ATOM 770 CA ASP 99 56.337 11.211 26.191 1.00 0.00 ATOM 771 CB ASP 99 55.707 11.277 24.798 1.00 0.00 ATOM 772 CG ASP 99 56.368 10.375 23.764 1.00 0.00 ATOM 773 OD1 ASP 99 57.457 9.916 24.017 1.00 0.00 ATOM 774 OD2 ASP 99 55.719 10.026 22.808 1.00 0.00 ATOM 775 O ASP 99 56.039 13.555 26.505 1.00 0.00 ATOM 776 C ASP 99 55.883 12.435 26.978 1.00 0.00 ATOM 777 N ARG 100 55.127 12.219 28.052 1.00 0.00 ATOM 778 CA ARG 100 54.588 13.296 28.916 1.00 0.00 ATOM 779 CB ARG 100 53.368 13.968 28.302 1.00 0.00 ATOM 780 CG ARG 100 52.159 13.062 28.126 1.00 0.00 ATOM 781 CD ARG 100 51.064 13.651 27.315 1.00 0.00 ATOM 782 NE ARG 100 51.376 13.804 25.904 1.00 0.00 ATOM 783 CZ ARG 100 50.557 14.370 24.996 1.00 0.00 ATOM 784 NH1 ARG 100 49.363 14.802 25.337 1.00 0.00 ATOM 785 NH2 ARG 100 50.975 14.455 23.745 1.00 0.00 ATOM 786 O ARG 100 54.226 11.607 30.594 1.00 0.00 ATOM 787 C ARG 100 54.282 12.811 30.334 1.00 0.00 ATOM 788 N ALA 101 54.130 13.751 31.248 1.00 0.00 ATOM 789 CA ALA 101 53.787 13.440 32.637 1.00 0.00 ATOM 790 CB ALA 101 53.841 14.723 33.466 1.00 0.00 ATOM 791 O ALA 101 51.532 12.933 31.903 1.00 0.00 ATOM 792 C ALA 101 52.404 12.808 32.766 1.00 0.00 ATOM 793 N PHE 102 52.291 12.018 33.823 1.00 0.00 ATOM 794 CA PHE 102 51.042 11.357 34.260 1.00 0.00 ATOM 795 CB PHE 102 49.943 12.364 34.618 1.00 0.00 ATOM 796 CG PHE 102 50.436 13.431 35.583 1.00 0.00 ATOM 797 CD1 PHE 102 50.784 14.669 35.082 1.00 0.00 ATOM 798 CD2 PHE 102 50.552 13.188 36.929 1.00 0.00 ATOM 799 CE1 PHE 102 51.211 15.680 35.940 1.00 0.00 ATOM 800 CE2 PHE 102 50.983 14.190 37.791 1.00 0.00 ATOM 801 CZ PHE 102 51.307 15.446 37.296 1.00 0.00 ATOM 802 O PHE 102 49.313 10.225 32.947 1.00 0.00 ATOM 803 C PHE 102 50.506 10.337 33.235 1.00 0.00 ATOM 804 N LEU 103 51.458 9.566 32.750 1.00 0.00 ATOM 805 CA LEU 103 51.172 8.373 31.941 1.00 0.00 ATOM 806 CB LEU 103 52.266 8.190 30.886 1.00 0.00 ATOM 807 CG LEU 103 52.214 9.265 29.791 1.00 0.00 ATOM 808 CD1 LEU 103 53.461 9.192 28.926 1.00 0.00 ATOM 809 CD2 LEU 103 51.033 9.023 28.855 1.00 0.00 ATOM 810 O LEU 103 51.735 7.141 33.942 1.00 0.00 ATOM 811 C LEU 103 51.092 7.170 32.886 1.00 0.00 ATOM 812 N LEU 104 50.174 6.269 32.553 1.00 0.00 ATOM 813 CA LEU 104 49.978 5.019 33.307 1.00 0.00 ATOM 814 CB LEU 104 48.481 4.741 33.496 1.00 0.00 ATOM 815 CG LEU 104 48.146 3.440 34.235 1.00 0.00 ATOM 816 CD1 LEU 104 48.666 3.504 35.665 1.00 0.00 ATOM 817 CD2 LEU 104 46.642 3.216 34.217 1.00 0.00 ATOM 818 O LEU 104 50.340 3.540 31.433 1.00 0.00 ATOM 819 C LEU 104 50.660 3.857 32.587 1.00 0.00 ATOM 820 N SER 105 51.649 3.305 33.278 1.00 0.00 ATOM 821 CA SER 105 52.471 2.205 32.758 1.00 0.00 ATOM 822 CB SER 105 53.892 2.680 32.523 1.00 0.00 ATOM 823 OG SER 105 53.952 3.707 31.571 1.00 0.00 ATOM 824 O SER 105 52.310 1.087 34.889 1.00 0.00 ATOM 825 C SER 105 52.494 0.980 33.679 1.00 0.00 ATOM 826 N MET 106 52.772 -0.159 33.046 1.00 0.00 ATOM 827 CA MET 106 52.949 -1.429 33.767 1.00 0.00 ATOM 828 CB MET 106 52.721 -2.602 32.816 1.00 0.00 ATOM 829 CG MET 106 51.273 -2.808 32.376 1.00 0.00 ATOM 830 SD MET 106 50.132 -2.988 33.796 1.00 0.00 ATOM 831 CE MET 106 50.688 -4.511 34.532 1.00 0.00 ATOM 832 O MET 106 55.364 -1.165 33.870 1.00 0.00 ATOM 833 C MET 106 54.336 -1.540 34.422 1.00 0.00 ATOM 834 N ALA 107 54.313 -1.786 35.726 1.00 0.00 ATOM 835 CA ALA 107 55.540 -2.199 36.440 1.00 0.00 ATOM 836 CB ALA 107 55.364 -1.964 37.938 1.00 0.00 ATOM 837 O ALA 107 54.863 -4.412 35.851 1.00 0.00 ATOM 838 C ALA 107 55.804 -3.674 36.133 1.00 0.00 ATOM 839 N ASN 108 57.065 -4.079 36.106 1.00 0.00 ATOM 840 CA ASN 108 57.437 -5.480 35.816 1.00 0.00 ATOM 841 CB ASN 108 57.491 -5.740 34.321 1.00 0.00 ATOM 842 CG ASN 108 58.488 -4.882 33.593 1.00 0.00 ATOM 843 ND2 ASN 108 57.988 -4.084 32.684 1.00 0.00 ATOM 844 OD1 ASN 108 59.685 -4.889 33.901 1.00 0.00 ATOM 845 O ASN 108 59.472 -5.037 37.067 1.00 0.00 ATOM 846 C ASN 108 58.776 -5.849 36.465 1.00 0.00 ATOM 847 N ARG 109 59.061 -7.138 36.338 1.00 0.00 ATOM 848 CA ARG 109 60.345 -7.720 36.777 1.00 0.00 ATOM 849 CB ARG 109 60.157 -8.775 37.857 1.00 0.00 ATOM 850 CG ARG 109 59.533 -8.267 39.148 1.00 0.00 ATOM 851 CD ARG 109 59.334 -9.312 40.185 1.00 0.00 ATOM 852 NE ARG 109 60.556 -9.956 40.633 1.00 0.00 ATOM 853 CZ ARG 109 60.603 -11.102 41.340 1.00 0.00 ATOM 854 NH1 ARG 109 59.501 -11.713 41.712 1.00 0.00 ATOM 855 NH2 ARG 109 61.789 -11.584 41.670 1.00 0.00 ATOM 856 O ARG 109 61.780 -9.354 35.770 1.00 0.00 ATOM 857 C ARG 109 61.195 -8.293 35.629 1.00 0.00 ATOM 858 N GLY 110 61.097 -7.679 34.457 1.00 0.00 ATOM 859 CA GLY 110 61.768 -8.129 33.216 1.00 0.00 ATOM 860 O GLY 110 59.601 -7.922 32.216 1.00 0.00 ATOM 861 C GLY 110 60.760 -8.286 32.068 1.00 0.00 ATOM 862 N LYS 111 61.239 -8.819 30.945 1.00 0.00 ATOM 863 CA LYS 111 60.377 -9.049 29.754 1.00 0.00 ATOM 864 CB LYS 111 61.208 -9.589 28.589 1.00 0.00 ATOM 865 CG LYS 111 62.216 -8.598 28.022 1.00 0.00 ATOM 866 CD LYS 111 62.983 -9.196 26.853 1.00 0.00 ATOM 867 CE LYS 111 64.026 -8.224 26.319 1.00 0.00 ATOM 868 NZ LYS 111 64.789 -8.798 25.178 1.00 0.00 ATOM 869 O LYS 111 59.485 -11.064 30.666 1.00 0.00 ATOM 870 C LYS 111 59.233 -10.016 30.076 1.00 0.00 ATOM 871 N HIS 112 58.039 -9.673 29.611 1.00 0.00 ATOM 872 CA HIS 112 56.828 -10.520 29.710 1.00 0.00 ATOM 873 CB HIS 112 56.982 -11.785 28.860 1.00 0.00 ATOM 874 CG HIS 112 57.240 -11.508 27.411 1.00 0.00 ATOM 875 CD2 HIS 112 58.311 -11.778 26.629 1.00 0.00 ATOM 876 ND1 HIS 112 56.322 -10.876 26.599 1.00 0.00 ATOM 877 CE1 HIS 112 56.819 -10.769 25.379 1.00 0.00 ATOM 878 NE2 HIS 112 58.024 -11.308 25.371 1.00 0.00 ATOM 879 O HIS 112 56.332 -12.103 31.485 1.00 0.00 ATOM 880 C HIS 112 56.486 -10.931 31.157 1.00 0.00 ATOM 881 N THR 113 56.508 -9.950 32.047 1.00 0.00 ATOM 882 CA THR 113 56.231 -10.230 33.471 1.00 0.00 ATOM 883 CB THR 113 57.489 -10.297 34.351 1.00 0.00 ATOM 884 CG2 THR 113 58.436 -11.426 33.936 1.00 0.00 ATOM 885 OG1 THR 113 58.136 -9.026 34.428 1.00 0.00 ATOM 886 O THR 113 55.269 -8.953 35.280 1.00 0.00 ATOM 887 C THR 113 55.207 -9.288 34.084 1.00 0.00 ATOM 888 N ASN 114 54.168 -9.007 33.297 1.00 0.00 ATOM 889 CA ASN 114 53.116 -8.092 33.743 1.00 0.00 ATOM 890 CB ASN 114 52.486 -7.358 32.572 1.00 0.00 ATOM 891 CG ASN 114 53.404 -6.366 31.916 1.00 0.00 ATOM 892 ND2 ASN 114 53.078 -6.017 30.698 1.00 0.00 ATOM 893 OD1 ASN 114 54.354 -5.866 32.531 1.00 0.00 ATOM 894 O ASN 114 51.440 -9.778 34.141 1.00 0.00 ATOM 895 C ASN 114 52.013 -8.779 34.550 1.00 0.00 ATOM 896 N GLY 115 51.750 -8.186 35.699 1.00 0.00 ATOM 897 CA GLY 115 50.799 -8.693 36.695 1.00 0.00 ATOM 898 O GLY 115 49.048 -7.226 35.964 1.00 0.00 ATOM 899 C GLY 115 49.705 -7.655 36.905 1.00 0.00 ATOM 900 N SER 116 49.749 -7.111 38.104 1.00 0.00 ATOM 901 CA SER 116 48.791 -6.069 38.519 1.00 0.00 ATOM 902 CB SER 116 47.934 -6.540 39.677 1.00 0.00 ATOM 903 OG SER 116 48.764 -6.991 40.745 1.00 0.00 ATOM 904 O SER 116 48.739 -3.719 38.940 1.00 0.00 ATOM 905 C SER 116 49.427 -4.731 38.894 1.00 0.00 ATOM 906 N GLN 117 50.736 -4.744 39.130 1.00 0.00 ATOM 907 CA GLN 117 51.470 -3.540 39.539 1.00 0.00 ATOM 908 CB GLN 117 52.843 -3.887 40.116 1.00 0.00 ATOM 909 CG GLN 117 52.718 -4.462 41.527 1.00 0.00 ATOM 910 CD GLN 117 54.116 -4.770 42.068 1.00 0.00 ATOM 911 OE1 GLN 117 54.905 -3.899 42.417 1.00 0.00 ATOM 912 NE2 GLN 117 54.452 -6.026 42.060 1.00 0.00 ATOM 913 O GLN 117 52.115 -2.906 37.294 1.00 0.00 ATOM 914 C GLN 117 51.662 -2.558 38.386 1.00 0.00 ATOM 915 N PHE 118 51.412 -1.295 38.712 1.00 0.00 ATOM 916 CA PHE 118 51.554 -0.170 37.777 1.00 0.00 ATOM 917 CB PHE 118 50.211 0.278 37.192 1.00 0.00 ATOM 918 CG PHE 118 49.206 0.727 38.260 1.00 0.00 ATOM 919 CD1 PHE 118 49.235 2.059 38.629 1.00 0.00 ATOM 920 CD2 PHE 118 48.288 -0.152 38.838 1.00 0.00 ATOM 921 CE1 PHE 118 48.346 2.528 39.585 1.00 0.00 ATOM 922 CE2 PHE 118 47.406 0.331 39.791 1.00 0.00 ATOM 923 CZ PHE 118 47.430 1.665 40.169 1.00 0.00 ATOM 924 O PHE 118 52.286 1.112 39.693 1.00 0.00 ATOM 925 C PHE 118 52.206 1.025 38.462 1.00 0.00 ATOM 926 N PHE 119 52.622 1.949 37.601 1.00 0.00 ATOM 927 CA PHE 119 53.129 3.242 38.055 1.00 0.00 ATOM 928 CB PHE 119 54.657 3.218 38.134 1.00 0.00 ATOM 929 CG PHE 119 55.345 2.995 36.790 1.00 0.00 ATOM 930 CD1 PHE 119 55.772 4.091 36.051 1.00 0.00 ATOM 931 CD2 PHE 119 55.589 1.703 36.344 1.00 0.00 ATOM 932 CE1 PHE 119 56.451 3.883 34.860 1.00 0.00 ATOM 933 CE2 PHE 119 56.271 1.516 35.146 1.00 0.00 ATOM 934 CZ PHE 119 56.716 2.597 34.410 1.00 0.00 ATOM 935 O PHE 119 52.153 4.212 36.056 1.00 0.00 ATOM 936 C PHE 119 52.597 4.398 37.188 1.00 0.00 ATOM 937 N ILE 120 52.535 5.530 37.858 1.00 0.00 ATOM 938 CA ILE 120 52.166 6.815 37.236 1.00 0.00 ATOM 939 CB ILE 120 51.003 7.493 37.985 1.00 0.00 ATOM 940 CG1 ILE 120 49.704 6.713 37.772 1.00 0.00 ATOM 941 CG2 ILE 120 50.845 8.934 37.529 1.00 0.00 ATOM 942 CD1 ILE 120 49.292 5.875 38.960 1.00 0.00 ATOM 943 O ILE 120 53.978 7.920 38.321 1.00 0.00 ATOM 944 C ILE 120 53.426 7.678 37.249 1.00 0.00 ATOM 945 N THR 121 53.838 8.113 36.072 1.00 0.00 ATOM 946 CA THR 121 54.999 9.033 35.971 1.00 0.00 ATOM 947 CB THR 121 55.665 8.951 34.585 1.00 0.00 ATOM 948 CG2 THR 121 56.118 7.529 34.295 1.00 0.00 ATOM 949 OG1 THR 121 54.733 9.367 33.578 1.00 0.00 ATOM 950 O THR 121 53.375 10.818 36.103 1.00 0.00 ATOM 951 C THR 121 54.544 10.466 36.245 1.00 0.00 ATOM 952 N THR 122 55.525 11.303 36.525 1.00 0.00 ATOM 953 CA THR 122 55.292 12.737 36.803 1.00 0.00 ATOM 954 CB THR 122 55.594 13.042 38.267 1.00 0.00 ATOM 955 CG2 THR 122 54.601 12.358 39.207 1.00 0.00 ATOM 956 OG1 THR 122 56.945 12.686 38.592 1.00 0.00 ATOM 957 O THR 122 55.858 14.830 35.705 1.00 0.00 ATOM 958 C THR 122 56.092 13.636 35.847 1.00 0.00 ATOM 959 N LYS 123 56.957 12.993 35.078 1.00 0.00 ATOM 960 CA LYS 123 57.758 13.622 34.015 1.00 0.00 ATOM 961 CB LYS 123 59.113 14.073 34.561 1.00 0.00 ATOM 962 CG LYS 123 60.001 12.937 35.055 1.00 0.00 ATOM 963 CD LYS 123 61.313 13.464 35.614 1.00 0.00 ATOM 964 CE LYS 123 62.197 12.331 36.117 1.00 0.00 ATOM 965 NZ LYS 123 63.516 12.825 36.595 1.00 0.00 ATOM 966 O LYS 123 57.804 11.410 33.105 1.00 0.00 ATOM 967 C LYS 123 57.913 12.612 32.872 1.00 0.00 ATOM 968 N PRO 124 58.253 13.081 31.672 1.00 0.00 ATOM 969 CA PRO 124 58.497 12.194 30.519 1.00 0.00 ATOM 970 CB PRO 124 58.756 13.131 29.344 1.00 0.00 ATOM 971 CG PRO 124 57.964 14.349 29.793 1.00 0.00 ATOM 972 CD PRO 124 58.284 14.484 31.264 1.00 0.00 ATOM 973 O PRO 124 60.591 11.695 31.581 1.00 0.00 ATOM 974 C PRO 124 59.703 11.309 30.823 1.00 0.00 ATOM 975 N ALA 125 59.579 10.074 30.363 1.00 0.00 ATOM 976 CA ALA 125 60.573 9.010 30.635 1.00 0.00 ATOM 977 CB ALA 125 60.159 8.248 31.897 1.00 0.00 ATOM 978 O ALA 125 60.431 6.901 29.470 1.00 0.00 ATOM 979 C ALA 125 60.728 8.095 29.402 1.00 0.00 ATOM 980 N PRO 126 61.296 8.625 28.317 1.00 0.00 ATOM 981 CA PRO 126 61.528 7.853 27.074 1.00 0.00 ATOM 982 CB PRO 126 62.158 8.853 26.115 1.00 0.00 ATOM 983 CG PRO 126 62.847 9.823 27.069 1.00 0.00 ATOM 984 CD PRO 126 61.850 9.977 28.205 1.00 0.00 ATOM 985 O PRO 126 62.250 5.619 26.570 1.00 0.00 ATOM 986 C PRO 126 62.429 6.622 27.252 1.00 0.00 ATOM 987 N HIS 127 63.331 6.655 28.238 1.00 0.00 ATOM 988 CA HIS 127 64.217 5.503 28.557 1.00 0.00 ATOM 989 CB HIS 127 65.139 5.840 29.733 1.00 0.00 ATOM 990 CG HIS 127 66.207 6.833 29.394 1.00 0.00 ATOM 991 CD2 HIS 127 66.442 8.083 29.861 1.00 0.00 ATOM 992 ND1 HIS 127 67.194 6.579 28.466 1.00 0.00 ATOM 993 CE1 HIS 127 67.991 7.630 28.376 1.00 0.00 ATOM 994 NE2 HIS 127 67.556 8.555 29.212 1.00 0.00 ATOM 995 O HIS 127 63.925 3.101 28.696 1.00 0.00 ATOM 996 C HIS 127 63.433 4.213 28.885 1.00 0.00 ATOM 997 N LEU 128 62.259 4.420 29.474 1.00 0.00 ATOM 998 CA LEU 128 61.327 3.330 29.815 1.00 0.00 ATOM 999 CB LEU 128 60.273 3.826 30.811 1.00 0.00 ATOM 1000 CG LEU 128 60.830 4.386 32.127 1.00 0.00 ATOM 1001 CD1 LEU 128 59.698 4.947 32.977 1.00 0.00 ATOM 1002 CD2 LEU 128 61.573 3.288 32.874 1.00 0.00 ATOM 1003 O LEU 128 60.010 1.624 28.743 1.00 0.00 ATOM 1004 C LEU 128 60.598 2.698 28.624 1.00 0.00 ATOM 1005 N ASP 129 60.633 3.395 27.490 1.00 0.00 ATOM 1006 CA ASP 129 59.960 2.920 26.263 1.00 0.00 ATOM 1007 CB ASP 129 60.066 3.968 25.152 1.00 0.00 ATOM 1008 CG ASP 129 59.182 5.191 25.356 1.00 0.00 ATOM 1009 OD1 ASP 129 58.355 5.161 26.236 1.00 0.00 ATOM 1010 OD2 ASP 129 59.445 6.198 24.742 1.00 0.00 ATOM 1011 O ASP 129 61.750 1.364 25.880 1.00 0.00 ATOM 1012 C ASP 129 60.551 1.589 25.788 1.00 0.00 ATOM 1013 N GLY 130 59.662 0.704 25.372 1.00 0.00 ATOM 1014 CA GLY 130 60.014 -0.663 24.932 1.00 0.00 ATOM 1015 O GLY 130 60.808 -2.723 25.835 1.00 0.00 ATOM 1016 C GLY 130 60.337 -1.618 26.084 1.00 0.00 ATOM 1017 N VAL 131 60.185 -1.144 27.315 1.00 0.00 ATOM 1018 CA VAL 131 60.425 -1.940 28.535 1.00 0.00 ATOM 1019 CB VAL 131 61.483 -1.281 29.442 1.00 0.00 ATOM 1020 CG1 VAL 131 61.646 -2.072 30.731 1.00 0.00 ATOM 1021 CG2 VAL 131 62.814 -1.171 28.713 1.00 0.00 ATOM 1022 O VAL 131 58.801 -3.187 29.833 1.00 0.00 ATOM 1023 C VAL 131 59.102 -2.111 29.307 1.00 0.00 ATOM 1024 N HIS 132 58.407 -0.995 29.465 1.00 0.00 ATOM 1025 CA HIS 132 57.140 -0.923 30.205 1.00 0.00 ATOM 1026 CB HIS 132 57.249 0.122 31.314 1.00 0.00 ATOM 1027 CG HIS 132 58.292 -0.241 32.375 1.00 0.00 ATOM 1028 CD2 HIS 132 59.539 0.193 32.420 1.00 0.00 ATOM 1029 ND1 HIS 132 58.098 -1.038 33.407 1.00 0.00 ATOM 1030 CE1 HIS 132 59.229 -1.132 34.096 1.00 0.00 ATOM 1031 NE2 HIS 132 60.118 -0.371 33.473 1.00 0.00 ATOM 1032 O HIS 132 56.096 0.450 28.526 1.00 0.00 ATOM 1033 C HIS 132 56.004 -0.539 29.254 1.00 0.00 ATOM 1034 N VAL 133 54.943 -1.340 29.283 1.00 0.00 ATOM 1035 CA VAL 133 53.736 -1.078 28.468 1.00 0.00 ATOM 1036 CB VAL 133 52.838 -2.326 28.371 1.00 0.00 ATOM 1037 CG1 VAL 133 51.576 -2.014 27.580 1.00 0.00 ATOM 1038 CG2 VAL 133 53.595 -3.479 27.729 1.00 0.00 ATOM 1039 O VAL 133 52.360 -0.003 30.143 1.00 0.00 ATOM 1040 C VAL 133 52.929 0.086 29.054 1.00 0.00 ATOM 1041 N VAL 134 52.863 1.146 28.260 1.00 0.00 ATOM 1042 CA VAL 134 51.980 2.294 28.549 1.00 0.00 ATOM 1043 CB VAL 134 52.433 3.601 27.855 1.00 0.00 ATOM 1044 CG1 VAL 134 51.590 4.808 28.295 1.00 0.00 ATOM 1045 CG2 VAL 134 53.910 3.913 28.089 1.00 0.00 ATOM 1046 O VAL 134 50.448 1.517 26.863 1.00 0.00 ATOM 1047 C VAL 134 50.601 1.932 28.008 1.00 0.00 ATOM 1048 N PHE 135 49.595 2.165 28.845 1.00 0.00 ATOM 1049 CA PHE 135 48.202 1.863 28.429 1.00 0.00 ATOM 1050 CB PHE 135 47.829 0.438 28.841 1.00 0.00 ATOM 1051 CG PHE 135 47.737 0.288 30.356 1.00 0.00 ATOM 1052 CD1 PHE 135 48.855 -0.022 31.122 1.00 0.00 ATOM 1053 CD2 PHE 135 46.506 0.475 30.971 1.00 0.00 ATOM 1054 CE1 PHE 135 48.741 -0.159 32.495 1.00 0.00 ATOM 1055 CE2 PHE 135 46.405 0.354 32.345 1.00 0.00 ATOM 1056 CZ PHE 135 47.511 0.027 33.110 1.00 0.00 ATOM 1057 O PHE 135 45.968 2.746 28.414 1.00 0.00 ATOM 1058 C PHE 135 47.122 2.875 28.829 1.00 0.00 ATOM 1059 N GLY 136 47.531 3.895 29.582 1.00 0.00 ATOM 1060 CA GLY 136 46.602 4.933 30.059 1.00 0.00 ATOM 1061 O GLY 136 48.496 6.431 30.308 1.00 0.00 ATOM 1062 C GLY 136 47.268 6.281 30.317 1.00 0.00 ATOM 1063 N LEU 137 46.397 7.257 30.564 1.00 0.00 ATOM 1064 CA LEU 137 46.775 8.634 30.904 1.00 0.00 ATOM 1065 CB LEU 137 46.708 9.508 29.637 1.00 0.00 ATOM 1066 CG LEU 137 47.043 10.987 29.862 1.00 0.00 ATOM 1067 CD1 LEU 137 48.535 11.224 30.105 1.00 0.00 ATOM 1068 CD2 LEU 137 46.554 11.823 28.693 1.00 0.00 ATOM 1069 O LEU 137 44.596 9.080 31.816 1.00 0.00 ATOM 1070 C LEU 137 45.809 9.194 31.953 1.00 0.00 ATOM 1071 N VAL 138 46.392 9.853 32.958 1.00 0.00 ATOM 1072 CA VAL 138 45.594 10.598 33.945 1.00 0.00 ATOM 1073 CB VAL 138 46.450 11.047 35.144 1.00 0.00 ATOM 1074 CG1 VAL 138 45.632 11.912 36.090 1.00 0.00 ATOM 1075 CG2 VAL 138 47.010 9.838 35.880 1.00 0.00 ATOM 1076 O VAL 138 45.643 12.656 32.676 1.00 0.00 ATOM 1077 C VAL 138 44.966 11.810 33.256 1.00 0.00 ATOM 1078 N ILE 139 43.662 11.921 33.478 1.00 0.00 ATOM 1079 CA ILE 139 42.863 12.990 32.869 1.00 0.00 ATOM 1080 CB ILE 139 41.567 12.441 32.245 1.00 0.00 ATOM 1081 CG1 ILE 139 41.890 11.378 31.191 1.00 0.00 ATOM 1082 CG2 ILE 139 40.752 13.570 31.634 1.00 0.00 ATOM 1083 CD1 ILE 139 42.748 11.886 30.055 1.00 0.00 ATOM 1084 O ILE 139 42.164 15.207 33.482 1.00 0.00 ATOM 1085 C ILE 139 42.492 14.086 33.878 1.00 0.00 ATOM 1086 N SER 140 42.284 13.654 35.118 1.00 0.00 ATOM 1087 CA SER 140 41.878 14.510 36.237 1.00 0.00 ATOM 1088 CB SER 140 40.357 14.613 36.261 1.00 0.00 ATOM 1089 OG SER 140 39.912 15.427 37.351 1.00 0.00 ATOM 1090 O SER 140 42.593 12.721 37.650 1.00 0.00 ATOM 1091 C SER 140 42.413 13.927 37.542 1.00 0.00 ATOM 1092 N GLY 141 42.686 14.821 38.491 1.00 0.00 ATOM 1093 CA GLY 141 43.265 14.460 39.801 1.00 0.00 ATOM 1094 O GLY 141 45.347 13.561 40.608 1.00 0.00 ATOM 1095 C GLY 141 44.783 14.196 39.725 1.00 0.00 ATOM 1096 N PHE 142 45.431 14.857 38.763 1.00 0.00 ATOM 1097 CA PHE 142 46.891 14.835 38.645 1.00 0.00 ATOM 1098 CB PHE 142 47.373 15.527 37.359 1.00 0.00 ATOM 1099 CG PHE 142 47.235 17.046 37.411 1.00 0.00 ATOM 1100 CD1 PHE 142 48.287 17.805 37.903 1.00 0.00 ATOM 1101 CD2 PHE 142 46.060 17.673 36.999 1.00 0.00 ATOM 1102 CE1 PHE 142 48.167 19.183 37.987 1.00 0.00 ATOM 1103 CE2 PHE 142 45.945 19.047 37.076 1.00 0.00 ATOM 1104 CZ PHE 142 46.993 19.809 37.576 1.00 0.00 ATOM 1105 O PHE 142 48.628 15.002 40.310 1.00 0.00 ATOM 1106 C PHE 142 47.576 15.459 39.875 1.00 0.00 ATOM 1107 N GLU 143 46.881 16.421 40.492 1.00 0.00 ATOM 1108 CA GLU 143 47.356 17.084 41.723 1.00 0.00 ATOM 1109 CB GLU 143 46.459 18.275 42.070 1.00 0.00 ATOM 1110 CG GLU 143 46.587 19.456 41.120 1.00 0.00 ATOM 1111 CD GLU 143 45.596 20.536 41.453 1.00 0.00 ATOM 1112 OE1 GLU 143 44.803 20.334 42.341 1.00 0.00 ATOM 1113 OE2 GLU 143 45.703 21.605 40.900 1.00 0.00 ATOM 1114 O GLU 143 48.372 16.124 43.690 1.00 0.00 ATOM 1115 C GLU 143 47.419 16.127 42.922 1.00 0.00 ATOM 1116 N VAL 144 46.430 15.232 42.994 1.00 0.00 ATOM 1117 CA VAL 144 46.436 14.142 44.001 1.00 0.00 ATOM 1118 CB VAL 144 45.132 13.323 43.956 1.00 0.00 ATOM 1119 CG1 VAL 144 45.184 12.180 44.958 1.00 0.00 ATOM 1120 CG2 VAL 144 43.931 14.216 44.232 1.00 0.00 ATOM 1121 O VAL 144 48.205 12.710 44.764 1.00 0.00 ATOM 1122 C VAL 144 47.633 13.197 43.786 1.00 0.00 ATOM 1123 N ILE 145 48.006 12.984 42.530 1.00 0.00 ATOM 1124 CA ILE 145 49.222 12.202 42.199 1.00 0.00 ATOM 1125 CB ILE 145 49.439 12.110 40.678 1.00 0.00 ATOM 1126 CG1 ILE 145 48.278 11.359 40.018 1.00 0.00 ATOM 1127 CG2 ILE 145 50.762 11.426 40.370 1.00 0.00 ATOM 1128 CD1 ILE 145 48.291 9.869 40.275 1.00 0.00 ATOM 1129 O ILE 145 51.151 12.179 43.614 1.00 0.00 ATOM 1130 C ILE 145 50.449 12.843 42.863 1.00 0.00 ATOM 1131 N GLU 146 50.632 14.121 42.559 1.00 0.00 ATOM 1132 CA GLU 146 51.788 14.866 43.084 1.00 0.00 ATOM 1133 CB GLU 146 51.856 16.261 42.459 1.00 0.00 ATOM 1134 CG GLU 146 52.242 16.273 40.988 1.00 0.00 ATOM 1135 CD GLU 146 52.197 17.665 40.422 1.00 0.00 ATOM 1136 OE1 GLU 146 51.815 18.563 41.134 1.00 0.00 ATOM 1137 OE2 GLU 146 52.650 17.852 39.317 1.00 0.00 ATOM 1138 O GLU 146 52.792 14.895 45.272 1.00 0.00 ATOM 1139 C GLU 146 51.765 14.996 44.610 1.00 0.00 ATOM 1140 N GLN 147 50.557 15.013 45.176 1.00 0.00 ATOM 1141 CA GLN 147 50.380 15.028 46.641 1.00 0.00 ATOM 1142 CB GLN 147 48.898 15.178 47.000 1.00 0.00 ATOM 1143 CG GLN 147 48.627 15.284 48.490 1.00 0.00 ATOM 1144 CD GLN 147 49.231 16.534 49.102 1.00 0.00 ATOM 1145 OE1 GLN 147 49.105 17.633 48.553 1.00 0.00 ATOM 1146 NE2 GLN 147 49.895 16.374 50.240 1.00 0.00 ATOM 1147 O GLN 147 51.766 13.797 48.184 1.00 0.00 ATOM 1148 C GLN 147 50.946 13.748 47.265 1.00 0.00 ATOM 1149 N ILE 148 50.562 12.610 46.681 1.00 0.00 ATOM 1150 CA ILE 148 51.080 11.277 47.055 1.00 0.00 ATOM 1151 CB ILE 148 50.389 10.158 46.257 1.00 0.00 ATOM 1152 CG1 ILE 148 48.917 10.044 46.662 1.00 0.00 ATOM 1153 CG2 ILE 148 51.105 8.832 46.468 1.00 0.00 ATOM 1154 CD1 ILE 148 48.099 9.158 45.750 1.00 0.00 ATOM 1155 O ILE 148 53.342 10.707 47.699 1.00 0.00 ATOM 1156 C ILE 148 52.608 11.191 46.830 1.00 0.00 ATOM 1157 N GLU 149 53.053 11.751 45.709 1.00 0.00 ATOM 1158 CA GLU 149 54.462 11.746 45.271 1.00 0.00 ATOM 1159 CB GLU 149 54.597 12.406 43.897 1.00 0.00 ATOM 1160 CG GLU 149 56.033 12.667 43.464 1.00 0.00 ATOM 1161 CD GLU 149 56.083 13.520 42.227 1.00 0.00 ATOM 1162 OE1 GLU 149 55.519 14.586 42.239 1.00 0.00 ATOM 1163 OE2 GLU 149 56.781 13.158 41.309 1.00 0.00 ATOM 1164 O GLU 149 56.633 12.069 46.327 1.00 0.00 ATOM 1165 C GLU 149 55.455 12.437 46.222 1.00 0.00 ATOM 1166 N ASN 150 54.956 13.458 46.903 1.00 0.00 ATOM 1167 CA ASN 150 55.815 14.263 47.785 1.00 0.00 ATOM 1168 CB ASN 150 55.507 15.745 47.657 1.00 0.00 ATOM 1169 CG ASN 150 55.908 16.334 46.333 1.00 0.00 ATOM 1170 ND2 ASN 150 55.273 17.423 45.984 1.00 0.00 ATOM 1171 OD1 ASN 150 56.832 15.849 45.669 1.00 0.00 ATOM 1172 O ASN 150 56.371 14.532 50.094 1.00 0.00 ATOM 1173 C ASN 150 55.741 13.885 49.259 1.00 0.00 ATOM 1174 N LEU 151 55.085 12.764 49.523 1.00 0.00 ATOM 1175 CA LEU 151 54.974 12.231 50.890 1.00 0.00 ATOM 1176 CB LEU 151 53.959 11.085 50.954 1.00 0.00 ATOM 1177 CG LEU 151 52.535 11.501 50.571 1.00 0.00 ATOM 1178 CD1 LEU 151 51.638 10.276 50.579 1.00 0.00 ATOM 1179 CD2 LEU 151 51.915 12.500 51.527 1.00 0.00 ATOM 1180 O LEU 151 57.180 11.270 50.639 1.00 0.00 ATOM 1181 C LEU 151 56.334 11.756 51.389 1.00 0.00 ATOM 1182 N LYS 152 56.590 12.038 52.662 1.00 0.00 ATOM 1183 CA LYS 152 57.830 11.571 53.309 1.00 0.00 ATOM 1184 CB LYS 152 57.908 12.078 54.750 1.00 0.00 ATOM 1185 CG LYS 152 58.079 13.585 54.878 1.00 0.00 ATOM 1186 CD LYS 152 58.168 14.009 56.336 1.00 0.00 ATOM 1187 CE LYS 152 58.304 15.519 56.466 1.00 0.00 ATOM 1188 NZ LYS 152 58.369 15.952 57.890 1.00 0.00 ATOM 1189 O LYS 152 56.896 9.346 53.504 1.00 0.00 ATOM 1190 C LYS 152 57.896 10.028 53.265 1.00 0.00 ATOM 1191 N THR 153 59.060 9.542 52.856 1.00 0.00 ATOM 1192 CA THR 153 59.313 8.094 52.651 1.00 0.00 ATOM 1193 CB THR 153 59.533 7.750 51.166 1.00 0.00 ATOM 1194 CG2 THR 153 58.319 8.094 50.307 1.00 0.00 ATOM 1195 OG1 THR 153 60.681 8.443 50.658 1.00 0.00 ATOM 1196 O THR 153 61.386 8.421 53.834 1.00 0.00 ATOM 1197 C THR 153 60.540 7.619 53.432 1.00 0.00 ATOM 1198 N ASP 154 60.596 6.317 53.653 1.00 0.00 ATOM 1199 CA ASP 154 61.761 5.687 54.293 1.00 0.00 ATOM 1200 CB ASP 154 61.338 4.433 55.061 1.00 0.00 ATOM 1201 CG ASP 154 60.836 3.295 54.179 1.00 0.00 ATOM 1202 OD1 ASP 154 61.021 3.367 52.988 1.00 0.00 ATOM 1203 OD2 ASP 154 60.417 2.297 54.715 1.00 0.00 ATOM 1204 O ASP 154 62.724 5.654 52.066 1.00 0.00 ATOM 1205 C ASP 154 62.835 5.337 53.250 1.00 0.00 ATOM 1206 N ALA 155 63.863 4.607 53.706 1.00 0.00 ATOM 1207 CA ALA 155 64.974 4.186 52.820 1.00 0.00 ATOM 1208 CB ALA 155 65.989 3.437 53.659 1.00 0.00 ATOM 1209 O ALA 155 65.168 3.341 50.571 1.00 0.00 ATOM 1210 C ALA 155 64.559 3.296 51.636 1.00 0.00 ATOM 1211 N ALA 156 63.527 2.492 51.844 1.00 0.00 ATOM 1212 CA ALA 156 62.953 1.624 50.796 1.00 0.00 ATOM 1213 CB ALA 156 62.122 0.611 51.555 1.00 0.00 ATOM 1214 O ALA 156 61.489 1.675 48.891 1.00 0.00 ATOM 1215 C ALA 156 62.053 2.332 49.771 1.00 0.00 ATOM 1216 N SER 157 61.904 3.644 49.911 1.00 0.00 ATOM 1217 CA SER 157 61.027 4.518 49.096 1.00 0.00 ATOM 1218 CB SER 157 61.249 4.251 47.620 1.00 0.00 ATOM 1219 OG SER 157 62.568 4.516 47.230 1.00 0.00 ATOM 1220 O SER 157 58.666 4.899 48.686 1.00 0.00 ATOM 1221 C SER 157 59.528 4.372 49.401 1.00 0.00 ATOM 1222 N ARG 158 59.238 3.625 50.462 1.00 0.00 ATOM 1223 CA ARG 158 57.889 3.419 51.000 1.00 0.00 ATOM 1224 CB ARG 158 57.815 2.205 51.915 1.00 0.00 ATOM 1225 CG ARG 158 58.031 0.869 51.222 1.00 0.00 ATOM 1226 CD ARG 158 57.994 -0.305 52.132 1.00 0.00 ATOM 1227 NE ARG 158 59.116 -0.388 53.055 1.00 0.00 ATOM 1228 CZ ARG 158 59.194 -1.251 54.086 1.00 0.00 ATOM 1229 NH1 ARG 158 58.209 -2.079 54.353 1.00 0.00 ATOM 1230 NH2 ARG 158 60.281 -1.229 54.837 1.00 0.00 ATOM 1231 O ARG 158 58.074 5.217 52.569 1.00 0.00 ATOM 1232 C ARG 158 57.374 4.695 51.704 1.00 0.00 ATOM 1233 N PRO 159 56.159 5.174 51.380 1.00 0.00 ATOM 1234 CA PRO 159 55.595 6.357 52.057 1.00 0.00 ATOM 1235 CB PRO 159 54.257 6.631 51.382 1.00 0.00 ATOM 1236 CG PRO 159 54.290 5.832 50.072 1.00 0.00 ATOM 1237 CD PRO 159 55.269 4.684 50.307 1.00 0.00 ATOM 1238 O PRO 159 55.062 4.898 53.890 1.00 0.00 ATOM 1239 C PRO 159 55.370 6.018 53.536 1.00 0.00 ATOM 1240 N TYR 160 55.684 6.934 54.429 1.00 0.00 ATOM 1241 CA TYR 160 55.425 6.718 55.874 1.00 0.00 ATOM 1242 CB TYR 160 55.950 7.857 56.725 1.00 0.00 ATOM 1243 CG TYR 160 57.455 7.757 56.901 1.00 0.00 ATOM 1244 CD1 TYR 160 58.044 6.707 57.587 1.00 0.00 ATOM 1245 CD2 TYR 160 58.243 8.753 56.348 1.00 0.00 ATOM 1246 CE1 TYR 160 59.424 6.650 57.710 1.00 0.00 ATOM 1247 CE2 TYR 160 59.621 8.706 56.466 1.00 0.00 ATOM 1248 CZ TYR 160 60.213 7.652 57.143 1.00 0.00 ATOM 1249 OH TYR 160 61.571 7.680 57.309 1.00 0.00 ATOM 1250 O TYR 160 53.573 5.775 57.075 1.00 0.00 ATOM 1251 C TYR 160 53.937 6.547 56.192 1.00 0.00 ATOM 1252 N ALA 161 53.150 7.436 55.592 1.00 0.00 ATOM 1253 CA ALA 161 51.686 7.439 55.678 1.00 0.00 ATOM 1254 CB ALA 161 51.200 8.783 55.141 1.00 0.00 ATOM 1255 O ALA 161 51.665 5.848 53.865 1.00 0.00 ATOM 1256 C ALA 161 51.088 6.281 54.867 1.00 0.00 ATOM 1257 N ASP 162 49.861 5.921 55.202 1.00 0.00 ATOM 1258 CA ASP 162 49.086 4.837 54.570 1.00 0.00 ATOM 1259 CB ASP 162 48.168 4.166 55.596 1.00 0.00 ATOM 1260 CG ASP 162 47.360 2.997 55.047 1.00 0.00 ATOM 1261 OD1 ASP 162 47.412 2.770 53.861 1.00 0.00 ATOM 1262 OD2 ASP 162 46.826 2.250 55.832 1.00 0.00 ATOM 1263 O ASP 162 47.269 6.100 53.563 1.00 0.00 ATOM 1264 C ASP 162 48.274 5.403 53.392 1.00 0.00 ATOM 1265 N VAL 163 48.849 5.202 52.217 1.00 0.00 ATOM 1266 CA VAL 163 48.188 5.564 50.948 1.00 0.00 ATOM 1267 CB VAL 163 49.210 5.962 49.874 1.00 0.00 ATOM 1268 CG1 VAL 163 48.524 6.392 48.569 1.00 0.00 ATOM 1269 CG2 VAL 163 50.089 7.121 50.344 1.00 0.00 ATOM 1270 O VAL 163 47.827 3.441 49.867 1.00 0.00 ATOM 1271 C VAL 163 47.321 4.372 50.495 1.00 0.00 ATOM 1272 N ARG 164 46.011 4.559 50.641 1.00 0.00 ATOM 1273 CA ARG 164 45.048 3.487 50.331 1.00 0.00 ATOM 1274 CB ARG 164 44.298 3.014 51.568 1.00 0.00 ATOM 1275 CG ARG 164 43.625 1.658 51.427 1.00 0.00 ATOM 1276 CD ARG 164 42.955 1.177 52.663 1.00 0.00 ATOM 1277 NE ARG 164 43.863 0.787 53.730 1.00 0.00 ATOM 1278 CZ ARG 164 43.505 0.622 55.017 1.00 0.00 ATOM 1279 NH1 ARG 164 42.271 0.847 55.412 1.00 0.00 ATOM 1280 NH2 ARG 164 44.434 0.251 55.882 1.00 0.00 ATOM 1281 O ARG 164 43.421 4.907 49.236 1.00 0.00 ATOM 1282 C ARG 164 44.037 3.837 49.221 1.00 0.00 ATOM 1283 N VAL 165 43.736 2.833 48.399 1.00 0.00 ATOM 1284 CA VAL 165 42.638 2.903 47.409 1.00 0.00 ATOM 1285 CB VAL 165 42.847 1.898 46.262 1.00 0.00 ATOM 1286 CG1 VAL 165 41.721 2.009 45.245 1.00 0.00 ATOM 1287 CG2 VAL 165 44.193 2.124 45.591 1.00 0.00 ATOM 1288 O VAL 165 40.852 1.486 48.198 1.00 0.00 ATOM 1289 C VAL 165 41.297 2.631 48.112 1.00 0.00 ATOM 1290 N ILE 166 40.675 3.706 48.599 1.00 0.00 ATOM 1291 CA ILE 166 39.342 3.631 49.240 1.00 0.00 ATOM 1292 CB ILE 166 38.857 4.974 49.844 1.00 0.00 ATOM 1293 CG1 ILE 166 37.582 4.747 50.634 1.00 0.00 ATOM 1294 CG2 ILE 166 38.471 6.095 48.873 1.00 0.00 ATOM 1295 CD1 ILE 166 37.701 3.830 51.847 1.00 0.00 ATOM 1296 O ILE 166 37.558 2.099 48.730 1.00 0.00 ATOM 1297 C ILE 166 38.275 3.013 48.322 1.00 0.00 ATOM 1298 N ASP 167 38.242 3.515 47.092 1.00 0.00 ATOM 1299 CA ASP 167 37.308 2.972 46.109 1.00 0.00 ATOM 1300 CB ASP 167 35.935 3.633 46.252 1.00 0.00 ATOM 1301 CG ASP 167 34.791 2.848 45.624 1.00 0.00 ATOM 1302 OD1 ASP 167 35.034 1.769 45.137 1.00 0.00 ATOM 1303 OD2 ASP 167 33.664 3.258 45.773 1.00 0.00 ATOM 1304 O ASP 167 38.873 3.820 44.474 1.00 0.00 ATOM 1305 C ASP 167 37.852 3.168 44.693 1.00 0.00 ATOM 1306 N CYS 168 37.430 2.181 43.923 1.00 0.00 ATOM 1307 CA CYS 168 37.928 1.971 42.562 1.00 0.00 ATOM 1308 CB CYS 168 39.096 0.993 42.577 1.00 0.00 ATOM 1309 SG CYS 168 39.800 0.842 40.903 1.00 0.00 ATOM 1310 O CYS 168 36.234 0.361 42.089 1.00 0.00 ATOM 1311 C CYS 168 36.810 1.367 41.708 1.00 0.00 ATOM 1312 N GLY 169 36.805 1.787 40.461 1.00 0.00 ATOM 1313 CA GLY 169 35.858 1.258 39.490 1.00 0.00 ATOM 1314 O GLY 169 37.004 2.581 37.816 1.00 0.00 ATOM 1315 C GLY 169 35.985 1.982 38.159 1.00 0.00 ATOM 1316 N VAL 170 34.908 1.831 37.416 1.00 0.00 ATOM 1317 CA VAL 170 34.793 2.414 36.084 1.00 0.00 ATOM 1318 CB VAL 170 34.361 1.334 35.096 1.00 0.00 ATOM 1319 CG1 VAL 170 34.226 1.959 33.717 1.00 0.00 ATOM 1320 CG2 VAL 170 35.394 0.208 34.966 1.00 0.00 ATOM 1321 O VAL 170 32.618 3.358 36.530 1.00 0.00 ATOM 1322 C VAL 170 33.775 3.559 36.168 1.00 0.00 ATOM 1323 N LEU 171 34.224 4.700 35.657 1.00 0.00 ATOM 1324 CA LEU 171 33.355 5.882 35.499 1.00 0.00 ATOM 1325 CB LEU 171 34.192 7.167 35.559 1.00 0.00 ATOM 1326 CG LEU 171 34.883 7.433 36.903 1.00 0.00 ATOM 1327 CD1 LEU 171 35.783 8.657 36.794 1.00 0.00 ATOM 1328 CD2 LEU 171 33.832 7.630 37.986 1.00 0.00 ATOM 1329 O LEU 171 31.383 6.186 34.155 1.00 0.00 ATOM 1330 C LEU 171 32.564 5.830 34.188 1.00 0.00 ATOM 1331 N ALA 172 33.244 5.400 33.119 1.00 0.00 ATOM 1332 CA ALA 172 32.660 5.311 31.771 1.00 0.00 ATOM 1333 CB ALA 172 32.836 6.669 31.077 1.00 0.00 ATOM 1334 O ALA 172 34.269 3.563 31.352 1.00 0.00 ATOM 1335 C ALA 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 1 37.021 5.513 24.365 1.00 0.00 ATOM 2 CA SER 1 38.126 5.209 25.316 1.00 0.00 ATOM 3 CB SER 1 39.195 6.325 25.247 1.00 0.00 ATOM 4 OG SER 1 40.211 6.194 26.215 1.00 0.00 ATOM 5 O SER 1 36.985 5.838 27.381 1.00 0.00 ATOM 6 C SER 1 37.571 4.954 26.760 1.00 0.00 ATOM 7 N PRO 2 37.741 3.724 27.282 1.00 0.00 ATOM 8 CA PRO 2 37.273 3.436 28.647 1.00 0.00 ATOM 9 CB PRO 2 37.568 1.953 28.836 1.00 0.00 ATOM 10 CG PRO 2 38.420 1.535 27.683 1.00 0.00 ATOM 11 CD PRO 2 38.350 2.553 26.615 1.00 0.00 ATOM 12 O PRO 2 39.123 4.721 29.530 1.00 0.00 ATOM 13 C PRO 2 37.975 4.259 29.726 1.00 0.00 ATOM 14 N GLN 3 37.263 4.459 30.837 1.00 0.00 ATOM 15 CA GLN 3 37.703 5.284 31.907 1.00 0.00 ATOM 16 CB GLN 3 36.975 6.636 31.896 1.00 0.00 ATOM 17 CG GLN 3 37.448 7.621 30.852 1.00 0.00 ATOM 18 CD GLN 3 36.913 9.061 31.058 1.00 0.00 ATOM 19 OE1 GLN 3 36.621 9.489 32.181 1.00 0.00 ATOM 20 NE2 GLN 3 36.822 9.806 29.978 1.00 0.00 ATOM 21 O GLN 3 36.532 3.617 33.201 1.00 0.00 ATOM 22 C GLN 3 37.406 4.481 33.187 1.00 0.00 ATOM 23 N CYS 4 38.184 4.747 34.232 1.00 0.00 ATOM 24 CA CYS 4 38.067 4.068 35.510 1.00 0.00 ATOM 25 CB CYS 4 38.770 2.697 35.499 1.00 0.00 ATOM 26 SG CYS 4 40.444 2.712 34.912 1.00 0.00 ATOM 27 O CYS 4 39.323 5.978 36.130 1.00 0.00 ATOM 28 C CYS 4 38.681 5.013 36.527 1.00 0.00 ATOM 29 N HIS 5 38.408 4.802 37.816 1.00 0.00 ATOM 30 CA HIS 5 38.869 5.740 38.834 1.00 0.00 ATOM 31 CB HIS 5 37.735 6.698 39.251 1.00 0.00 ATOM 32 CG HIS 5 36.701 6.064 40.119 1.00 0.00 ATOM 33 CD2 HIS 5 35.626 5.288 39.811 1.00 0.00 ATOM 34 ND1 HIS 5 36.715 6.165 41.489 1.00 0.00 ATOM 35 CE1 HIS 5 35.689 5.498 41.990 1.00 0.00 ATOM 36 NE2 HIS 5 35.024 4.942 40.997 1.00 0.00 ATOM 37 O HIS 5 38.956 3.882 40.337 1.00 0.00 ATOM 38 C HIS 5 39.367 5.024 40.060 1.00 0.00 ATOM 39 N PHE 6 40.244 5.723 40.782 1.00 0.00 ATOM 40 CA PHE 6 40.624 5.421 42.185 1.00 0.00 ATOM 41 CB PHE 6 42.145 5.340 42.352 1.00 0.00 ATOM 42 CG PHE 6 42.811 4.162 41.648 1.00 0.00 ATOM 43 CD1 PHE 6 42.057 3.119 41.066 1.00 0.00 ATOM 44 CD2 PHE 6 44.231 4.116 41.551 1.00 0.00 ATOM 45 CE1 PHE 6 42.694 2.024 40.443 1.00 0.00 ATOM 46 CE2 PHE 6 44.866 3.033 40.920 1.00 0.00 ATOM 47 CZ PHE 6 44.113 1.988 40.381 1.00 0.00 ATOM 48 O PHE 6 40.407 7.785 42.654 1.00 0.00 ATOM 49 C PHE 6 40.212 6.619 43.047 1.00 0.00 ATOM 50 N ASP 7 39.689 6.321 44.225 1.00 0.00 ATOM 51 CA ASP 7 39.446 7.303 45.278 1.00 0.00 ATOM 52 CB ASP 7 38.051 7.139 45.877 1.00 0.00 ATOM 53 CG ASP 7 36.961 7.549 44.906 1.00 0.00 ATOM 54 OD1 ASP 7 37.228 8.410 44.058 1.00 0.00 ATOM 55 OD2 ASP 7 35.844 7.023 44.977 1.00 0.00 ATOM 56 O ASP 7 40.626 5.827 46.753 1.00 0.00 ATOM 57 C ASP 7 40.479 6.998 46.341 1.00 0.00 ATOM 58 N ILE 8 41.201 8.042 46.758 1.00 0.00 ATOM 59 CA ILE 8 42.397 7.863 47.562 1.00 0.00 ATOM 60 CB ILE 8 43.594 8.571 46.895 1.00 0.00 ATOM 61 CG1 ILE 8 43.830 8.010 45.468 1.00 0.00 ATOM 62 CG2 ILE 8 44.899 8.535 47.822 1.00 0.00 ATOM 63 CD1 ILE 8 44.203 6.530 45.393 1.00 0.00 ATOM 64 O ILE 8 41.587 9.495 49.143 1.00 0.00 ATOM 65 C ILE 8 42.178 8.415 48.988 1.00 0.00 ATOM 66 N GLU 9 42.661 7.703 50.016 1.00 0.00 ATOM 67 CA GLU 9 42.808 8.335 51.355 1.00 0.00 ATOM 68 CB GLU 9 41.909 7.685 52.430 1.00 0.00 ATOM 69 CG GLU 9 40.430 7.809 52.143 1.00 0.00 ATOM 70 CD GLU 9 39.533 7.203 53.230 1.00 0.00 ATOM 71 OE1 GLU 9 40.033 6.552 54.186 1.00 0.00 ATOM 72 OE2 GLU 9 38.301 7.370 53.104 1.00 0.00 ATOM 73 O GLU 9 44.845 7.131 51.558 1.00 0.00 ATOM 74 C GLU 9 44.246 8.201 51.776 1.00 0.00 ATOM 75 N ILE 10 44.804 9.259 52.390 1.00 0.00 ATOM 76 CA ILE 10 46.137 9.174 52.989 1.00 0.00 ATOM 77 CB ILE 10 47.045 10.303 52.480 1.00 0.00 ATOM 78 CG1 ILE 10 47.366 10.115 50.989 1.00 0.00 ATOM 79 CG2 ILE 10 48.355 10.350 53.268 1.00 0.00 ATOM 80 CD1 ILE 10 48.080 11.406 50.318 1.00 0.00 ATOM 81 O ILE 10 45.346 10.233 54.992 1.00 0.00 ATOM 82 C ILE 10 45.920 9.263 54.514 1.00 0.00 ATOM 83 N ASN 11 46.306 8.225 55.254 1.00 0.00 ATOM 84 CA ASN 11 46.081 8.171 56.703 1.00 0.00 ATOM 85 CB ASN 11 47.018 9.147 57.428 1.00 0.00 ATOM 86 CG ASN 11 48.443 8.618 57.501 1.00 0.00 ATOM 87 ND2 ASN 11 49.340 9.354 58.172 1.00 0.00 ATOM 88 OD1 ASN 11 48.731 7.552 56.966 1.00 0.00 ATOM 89 O ASN 11 44.235 9.220 57.885 1.00 0.00 ATOM 90 C ASN 11 44.598 8.444 56.982 1.00 0.00 ATOM 91 N ARG 12 43.758 7.802 56.158 1.00 0.00 ATOM 92 CA ARG 12 42.314 7.870 56.307 1.00 0.00 ATOM 93 CB ARG 12 41.870 7.444 57.702 1.00 0.00 ATOM 94 CG ARG 12 42.446 6.136 58.135 1.00 0.00 ATOM 95 CD ARG 12 41.780 5.653 59.417 1.00 0.00 ATOM 96 NE ARG 12 42.495 4.498 59.974 1.00 0.00 ATOM 97 CZ ARG 12 41.979 3.275 60.117 1.00 0.00 ATOM 98 NH1 ARG 12 40.709 2.987 59.748 1.00 0.00 ATOM 99 NH2 ARG 12 42.737 2.329 60.668 1.00 0.00 ATOM 100 O ARG 12 40.536 9.456 56.198 1.00 0.00 ATOM 101 C ARG 12 41.722 9.258 55.997 1.00 0.00 ATOM 102 N GLU 13 42.527 10.204 55.521 1.00 0.00 ATOM 103 CA GLU 13 41.963 11.469 55.042 1.00 0.00 ATOM 104 CB GLU 13 42.928 12.634 55.261 1.00 0.00 ATOM 105 CG GLU 13 42.243 14.018 54.917 1.00 0.00 ATOM 106 CD GLU 13 43.210 15.205 54.593 1.00 0.00 ATOM 107 OE1 GLU 13 44.468 15.057 54.734 1.00 0.00 ATOM 108 OE2 GLU 13 42.689 16.298 54.188 1.00 0.00 ATOM 109 O GLU 13 42.569 11.076 52.727 1.00 0.00 ATOM 110 C GLU 13 41.644 11.354 53.533 1.00 0.00 ATOM 111 N PRO 14 40.366 11.567 53.137 1.00 0.00 ATOM 112 CA PRO 14 40.020 11.552 51.724 1.00 0.00 ATOM 113 CB PRO 14 38.494 11.788 51.710 1.00 0.00 ATOM 114 CG PRO 14 38.041 11.680 53.090 1.00 0.00 ATOM 115 CD PRO 14 39.197 11.879 53.989 1.00 0.00 ATOM 116 O PRO 14 40.642 13.861 51.425 1.00 0.00 ATOM 117 C PRO 14 40.753 12.700 51.012 1.00 0.00 ATOM 118 N VAL 15 41.496 12.381 49.956 1.00 0.00 ATOM 119 CA VAL 15 42.289 13.409 49.258 1.00 0.00 ATOM 120 CB VAL 15 43.811 13.128 49.355 1.00 0.00 ATOM 121 CG1 VAL 15 44.347 13.363 50.813 1.00 0.00 ATOM 122 CG2 VAL 15 44.114 11.736 48.855 1.00 0.00 ATOM 123 O VAL 15 42.359 14.602 47.117 1.00 0.00 ATOM 124 C VAL 15 41.894 13.632 47.784 1.00 0.00 ATOM 125 N GLY 16 41.034 12.764 47.273 1.00 0.00 ATOM 126 CA GLY 16 40.468 12.988 45.944 1.00 0.00 ATOM 127 O GLY 16 40.883 10.659 45.509 1.00 0.00 ATOM 128 C GLY 16 40.449 11.739 45.084 1.00 0.00 ATOM 129 N ARG 17 39.959 11.934 43.869 1.00 0.00 ATOM 130 CA ARG 17 39.778 10.913 42.861 1.00 0.00 ATOM 131 CB ARG 17 38.328 11.006 42.362 1.00 0.00 ATOM 132 CG ARG 17 38.012 10.229 41.110 1.00 0.00 ATOM 133 CD ARG 17 36.522 10.181 40.877 1.00 0.00 ATOM 134 NE ARG 17 35.875 9.464 41.985 1.00 0.00 ATOM 135 CZ ARG 17 34.642 8.945 41.937 1.00 0.00 ATOM 136 NH1 ARG 17 33.903 9.055 40.828 1.00 0.00 ATOM 137 NH2 ARG 17 34.143 8.290 42.985 1.00 0.00 ATOM 138 O ARG 17 40.958 12.210 41.144 1.00 0.00 ATOM 139 C ARG 17 40.766 11.092 41.680 1.00 0.00 ATOM 140 N ILE 18 41.411 9.992 41.312 1.00 0.00 ATOM 141 CA ILE 18 42.289 9.938 40.144 1.00 0.00 ATOM 142 CB ILE 18 43.504 9.028 40.393 1.00 0.00 ATOM 143 CG1 ILE 18 44.376 9.659 41.499 1.00 0.00 ATOM 144 CG2 ILE 18 44.309 8.767 39.091 1.00 0.00 ATOM 145 CD1 ILE 18 45.475 8.708 42.081 1.00 0.00 ATOM 146 O ILE 18 40.867 8.226 39.254 1.00 0.00 ATOM 147 C ILE 18 41.430 9.307 39.070 1.00 0.00 ATOM 148 N MET 19 41.292 10.012 37.961 1.00 0.00 ATOM 149 CA MET 19 40.538 9.472 36.851 1.00 0.00 ATOM 150 CB MET 19 39.592 10.576 36.364 1.00 0.00 ATOM 151 CG MET 19 38.788 10.110 35.232 1.00 0.00 ATOM 152 SD MET 19 37.536 9.007 35.901 1.00 0.00 ATOM 153 CE MET 19 36.569 10.175 36.894 1.00 0.00 ATOM 154 O MET 19 42.328 9.843 35.324 1.00 0.00 ATOM 155 C MET 19 41.486 9.049 35.721 1.00 0.00 ATOM 156 N PHE 20 41.325 7.828 35.183 1.00 0.00 ATOM 157 CA PHE 20 42.205 7.334 34.116 1.00 0.00 ATOM 158 CB PHE 20 42.754 5.933 34.447 1.00 0.00 ATOM 159 CG PHE 20 43.516 5.843 35.718 1.00 0.00 ATOM 160 CD1 PHE 20 44.839 6.289 35.784 1.00 0.00 ATOM 161 CD2 PHE 20 42.942 5.233 36.842 1.00 0.00 ATOM 162 CE1 PHE 20 45.594 6.132 36.921 1.00 0.00 ATOM 163 CE2 PHE 20 43.664 5.086 37.990 1.00 0.00 ATOM 164 CZ PHE 20 45.011 5.561 38.062 1.00 0.00 ATOM 165 O PHE 20 40.310 6.713 32.749 1.00 0.00 ATOM 166 C PHE 20 41.465 7.175 32.782 1.00 0.00 ATOM 167 N GLN 21 42.135 7.564 31.695 1.00 0.00 ATOM 168 CA GLN 21 41.692 7.227 30.362 1.00 0.00 ATOM 169 CB GLN 21 41.890 8.414 29.436 1.00 0.00 ATOM 170 CG GLN 21 41.805 8.061 27.960 1.00 0.00 ATOM 171 CD GLN 21 41.847 9.270 27.030 1.00 0.00 ATOM 172 OE1 GLN 21 42.059 10.420 27.459 1.00 0.00 ATOM 173 NE2 GLN 21 41.624 9.018 25.741 1.00 0.00 ATOM 174 O GLN 21 43.805 6.228 29.944 1.00 0.00 ATOM 175 C GLN 21 42.589 6.095 29.901 1.00 0.00 ATOM 176 N LEU 22 41.992 5.012 29.418 1.00 0.00 ATOM 177 CA LEU 22 42.766 3.825 28.960 1.00 0.00 ATOM 178 CB LEU 22 42.153 2.578 29.532 1.00 0.00 ATOM 179 CG LEU 22 42.059 2.450 31.063 1.00 0.00 ATOM 180 CD1 LEU 22 42.008 0.997 31.425 1.00 0.00 ATOM 181 CD2 LEU 22 43.289 3.052 31.705 1.00 0.00 ATOM 182 O LEU 22 41.753 4.094 26.809 1.00 0.00 ATOM 183 C LEU 22 42.746 3.753 27.439 1.00 0.00 ATOM 184 N PHE 23 43.847 3.295 26.861 1.00 0.00 ATOM 185 CA PHE 23 44.004 3.307 25.432 1.00 0.00 ATOM 186 CB PHE 23 45.365 3.894 25.081 1.00 0.00 ATOM 187 CG PHE 23 45.534 5.335 25.479 1.00 0.00 ATOM 188 CD1 PHE 23 44.595 6.306 25.096 1.00 0.00 ATOM 189 CD2 PHE 23 46.623 5.735 26.220 1.00 0.00 ATOM 190 CE1 PHE 23 44.788 7.665 25.408 1.00 0.00 ATOM 191 CE2 PHE 23 46.807 7.112 26.544 1.00 0.00 ATOM 192 CZ PHE 23 45.881 8.061 26.139 1.00 0.00 ATOM 193 O PHE 23 44.892 1.171 24.774 1.00 0.00 ATOM 194 C PHE 23 43.881 1.871 25.005 1.00 0.00 ATOM 195 N SER 24 42.621 1.445 24.913 1.00 0.00 ATOM 196 CA SER 24 42.230 0.043 24.693 1.00 0.00 ATOM 197 CB SER 24 40.861 -0.229 25.325 1.00 0.00 ATOM 198 OG SER 24 39.890 0.652 24.775 1.00 0.00 ATOM 199 O SER 24 42.013 -1.480 22.846 1.00 0.00 ATOM 200 C SER 24 42.210 -0.315 23.213 1.00 0.00 ATOM 201 N ASP 25 42.415 0.690 22.366 1.00 0.00 ATOM 202 CA ASP 25 42.698 0.433 20.956 1.00 0.00 ATOM 203 CB ASP 25 42.643 1.717 20.130 1.00 0.00 ATOM 204 CG ASP 25 43.412 2.898 20.762 1.00 0.00 ATOM 205 OD1 ASP 25 44.177 2.743 21.736 1.00 0.00 ATOM 206 OD2 ASP 25 43.236 4.018 20.271 1.00 0.00 ATOM 207 O ASP 25 44.198 -1.281 20.140 1.00 0.00 ATOM 208 C ASP 25 44.061 -0.233 20.776 1.00 0.00 ATOM 209 N ILE 26 45.067 0.403 21.352 1.00 0.00 ATOM 210 CA ILE 26 46.445 0.037 21.124 1.00 0.00 ATOM 211 CB ILE 26 47.309 1.291 21.325 1.00 0.00 ATOM 212 CG1 ILE 26 48.771 1.066 20.955 1.00 0.00 ATOM 213 CG2 ILE 26 47.192 1.803 22.701 1.00 0.00 ATOM 214 CD1 ILE 26 49.357 2.310 20.272 1.00 0.00 ATOM 215 O ILE 26 47.617 -1.994 21.631 1.00 0.00 ATOM 216 C ILE 26 46.842 -1.132 22.025 1.00 0.00 ATOM 217 N CYS 27 46.306 -1.149 23.245 1.00 0.00 ATOM 218 CA CYS 27 46.652 -2.156 24.249 1.00 0.00 ATOM 219 CB CYS 27 47.444 -1.490 25.381 1.00 0.00 ATOM 220 SG CYS 27 49.169 -1.093 24.895 1.00 0.00 ATOM 221 O CYS 27 45.071 -2.587 25.988 1.00 0.00 ATOM 222 C CYS 27 45.383 -2.783 24.823 1.00 0.00 ATOM 223 N PRO 28 44.647 -3.557 24.012 1.00 0.00 ATOM 224 CA PRO 28 43.382 -4.073 24.544 1.00 0.00 ATOM 225 CB PRO 28 42.717 -4.782 23.345 1.00 0.00 ATOM 226 CG PRO 28 43.828 -4.985 22.325 1.00 0.00 ATOM 227 CD PRO 28 44.926 -4.003 22.638 1.00 0.00 ATOM 228 O PRO 28 42.819 -4.991 26.658 1.00 0.00 ATOM 229 C PRO 28 43.575 -5.045 25.710 1.00 0.00 ATOM 230 N LYS 29 44.552 -5.936 25.639 1.00 0.00 ATOM 231 CA LYS 29 44.715 -6.938 26.693 1.00 0.00 ATOM 232 CB LYS 29 45.747 -8.010 26.252 1.00 0.00 ATOM 233 CG LYS 29 45.818 -9.186 27.236 1.00 0.00 ATOM 234 CD LYS 29 46.800 -10.228 26.793 1.00 0.00 ATOM 235 CE LYS 29 46.608 -11.539 27.522 1.00 0.00 ATOM 236 NZ LYS 29 47.630 -12.504 27.018 1.00 0.00 ATOM 237 O LYS 29 44.615 -6.567 29.088 1.00 0.00 ATOM 238 C LYS 29 45.134 -6.265 28.007 1.00 0.00 ATOM 239 N THR 30 46.065 -5.331 27.911 1.00 0.00 ATOM 240 CA THR 30 46.553 -4.605 29.101 1.00 0.00 ATOM 241 CB THR 30 47.802 -3.758 28.752 1.00 0.00 ATOM 242 CG2 THR 30 48.411 -3.099 30.015 1.00 0.00 ATOM 243 OG1 THR 30 48.803 -4.585 28.114 1.00 0.00 ATOM 244 O THR 30 45.307 -3.788 30.979 1.00 0.00 ATOM 245 C THR 30 45.441 -3.770 29.764 1.00 0.00 ATOM 246 N CYS 31 44.648 -3.052 28.971 1.00 0.00 ATOM 247 CA CYS 31 43.538 -2.240 29.503 1.00 0.00 ATOM 248 CB CYS 31 42.943 -1.373 28.405 1.00 0.00 ATOM 249 SG CYS 31 44.053 -0.072 27.793 1.00 0.00 ATOM 250 O CYS 31 41.848 -2.781 31.071 1.00 0.00 ATOM 251 C CYS 31 42.434 -3.125 30.073 1.00 0.00 ATOM 252 N LYS 32 42.172 -4.285 29.468 1.00 0.00 ATOM 253 CA LYS 32 41.125 -5.161 30.012 1.00 0.00 ATOM 254 CB LYS 32 40.856 -6.349 29.098 1.00 0.00 ATOM 255 CG LYS 32 39.706 -7.242 29.643 1.00 0.00 ATOM 256 CD LYS 32 39.607 -8.528 28.855 1.00 0.00 ATOM 257 CE LYS 32 38.502 -9.451 29.432 1.00 0.00 ATOM 258 NZ LYS 32 38.614 -10.790 28.789 1.00 0.00 ATOM 259 O LYS 32 40.654 -5.628 32.322 1.00 0.00 ATOM 260 C LYS 32 41.487 -5.647 31.415 1.00 0.00 ATOM 261 N ASN 33 42.749 -6.056 31.580 1.00 0.00 ATOM 262 CA ASN 33 43.298 -6.412 32.882 1.00 0.00 ATOM 263 CB ASN 33 44.779 -6.793 32.727 1.00 0.00 ATOM 264 CG ASN 33 45.424 -7.228 34.023 1.00 0.00 ATOM 265 ND2 ASN 33 46.452 -6.494 34.444 1.00 0.00 ATOM 266 OD1 ASN 33 45.003 -8.212 34.648 1.00 0.00 ATOM 267 O ASN 33 42.500 -5.497 34.966 1.00 0.00 ATOM 268 C ASN 33 43.085 -5.268 33.884 1.00 0.00 ATOM 269 N PHE 34 43.490 -4.030 33.519 1.00 0.00 ATOM 270 CA PHE 34 43.445 -2.920 34.488 1.00 0.00 ATOM 271 CB PHE 34 44.141 -1.650 33.938 1.00 0.00 ATOM 272 CG PHE 34 44.362 -0.588 34.975 1.00 0.00 ATOM 273 CD1 PHE 34 45.529 -0.586 35.750 1.00 0.00 ATOM 274 CD2 PHE 34 43.394 0.418 35.196 1.00 0.00 ATOM 275 CE1 PHE 34 45.766 0.421 36.707 1.00 0.00 ATOM 276 CE2 PHE 34 43.631 1.424 36.166 1.00 0.00 ATOM 277 CZ PHE 34 44.837 1.419 36.896 1.00 0.00 ATOM 278 O PHE 34 41.623 -2.455 36.020 1.00 0.00 ATOM 279 C PHE 34 41.991 -2.626 34.827 1.00 0.00 ATOM 280 N LEU 35 41.148 -2.617 33.803 1.00 0.00 ATOM 281 CA LEU 35 39.717 -2.386 34.045 1.00 0.00 ATOM 282 CB LEU 35 38.931 -2.311 32.742 1.00 0.00 ATOM 283 CG LEU 35 39.144 -1.104 31.869 1.00 0.00 ATOM 284 CD1 LEU 35 38.586 -1.398 30.469 1.00 0.00 ATOM 285 CD2 LEU 35 38.423 0.136 32.498 1.00 0.00 ATOM 286 O LEU 35 38.359 -3.044 35.868 1.00 0.00 ATOM 287 C LEU 35 39.087 -3.415 34.969 1.00 0.00 ATOM 288 N CYS 36 39.377 -4.698 34.738 1.00 0.00 ATOM 289 CA CYS 36 38.814 -5.766 35.535 1.00 0.00 ATOM 290 CB CYS 36 39.137 -7.139 34.918 1.00 0.00 ATOM 291 SG CYS 36 38.074 -7.527 33.512 1.00 0.00 ATOM 292 O CYS 36 38.617 -6.038 37.910 1.00 0.00 ATOM 293 C CYS 36 39.329 -5.686 36.972 1.00 0.00 ATOM 294 N LEU 37 40.569 -5.226 37.140 1.00 0.00 ATOM 295 CA LEU 37 41.090 -4.989 38.505 1.00 0.00 ATOM 296 CB LEU 37 42.608 -4.826 38.484 1.00 0.00 ATOM 297 CG LEU 37 43.300 -6.170 38.132 1.00 0.00 ATOM 298 CD1 LEU 37 44.733 -5.903 37.580 1.00 0.00 ATOM 299 CD2 LEU 37 43.348 -7.118 39.314 1.00 0.00 ATOM 300 O LEU 37 40.407 -3.732 40.456 1.00 0.00 ATOM 301 C LEU 37 40.426 -3.824 39.201 1.00 0.00 ATOM 302 N CYS 38 39.850 -2.912 38.410 1.00 0.00 ATOM 303 CA CYS 38 39.109 -1.806 39.042 1.00 0.00 ATOM 304 CB CYS 38 39.006 -0.600 38.099 1.00 0.00 ATOM 305 SG CYS 38 40.534 0.353 37.844 1.00 0.00 ATOM 306 O CYS 38 37.215 -1.835 40.495 1.00 0.00 ATOM 307 C CYS 38 37.704 -2.263 39.451 1.00 0.00 ATOM 308 N SER 39 37.055 -3.127 38.641 1.00 0.00 ATOM 309 CA SER 39 35.707 -3.595 39.008 1.00 0.00 ATOM 310 CB SER 39 34.964 -4.064 37.787 1.00 0.00 ATOM 311 OG SER 39 35.538 -5.285 37.370 1.00 0.00 ATOM 312 O SER 39 34.848 -5.026 40.740 1.00 0.00 ATOM 313 C SER 39 35.788 -4.771 39.975 1.00 0.00 ATOM 314 N GLY 40 36.879 -5.525 39.914 1.00 0.00 ATOM 315 CA GLY 40 37.030 -6.706 40.777 1.00 0.00 ATOM 316 O GLY 40 36.039 -8.882 40.966 1.00 0.00 ATOM 317 C GLY 40 36.178 -7.864 40.283 1.00 0.00 ATOM 318 N GLU 41 35.628 -7.713 39.068 1.00 0.00 ATOM 319 CA GLU 41 34.644 -8.650 38.531 1.00 0.00 ATOM 320 CB GLU 41 34.078 -8.108 37.208 1.00 0.00 ATOM 321 CG GLU 41 35.126 -8.062 36.100 1.00 0.00 ATOM 322 CD GLU 41 34.667 -7.239 34.910 1.00 0.00 ATOM 323 OE1 GLU 41 34.610 -5.985 34.991 1.00 0.00 ATOM 324 OE2 GLU 41 34.384 -7.876 33.872 1.00 0.00 ATOM 325 O GLU 41 34.388 -11.000 38.176 1.00 0.00 ATOM 326 C GLU 41 35.178 -10.075 38.294 1.00 0.00 ATOM 327 N LYS 42 36.493 -10.257 38.207 1.00 0.00 ATOM 328 CA LYS 42 37.050 -11.584 37.880 1.00 0.00 ATOM 329 CB LYS 42 38.340 -11.475 37.048 1.00 0.00 ATOM 330 CG LYS 42 38.123 -10.897 35.651 1.00 0.00 ATOM 331 CD LYS 42 37.004 -11.625 34.922 1.00 0.00 ATOM 332 CE LYS 42 37.080 -11.398 33.401 1.00 0.00 ATOM 333 NZ LYS 42 35.876 -11.870 32.643 1.00 0.00 ATOM 334 O LYS 42 37.652 -13.633 38.921 1.00 0.00 ATOM 335 C LYS 42 37.270 -12.494 39.091 1.00 0.00 ATOM 336 N GLY 43 37.066 -11.986 40.305 1.00 0.00 ATOM 337 CA GLY 43 37.024 -12.863 41.482 1.00 0.00 ATOM 338 O GLY 43 39.224 -12.203 42.076 1.00 0.00 ATOM 339 C GLY 43 38.424 -13.117 42.027 1.00 0.00 ATOM 340 N LEU 44 38.727 -14.359 42.416 1.00 0.00 ATOM 341 CA LEU 44 40.003 -14.675 43.097 1.00 0.00 ATOM 342 CB LEU 44 39.855 -15.898 44.047 1.00 0.00 ATOM 343 CG LEU 44 38.973 -15.642 45.302 1.00 0.00 ATOM 344 CD1 LEU 44 38.938 -16.836 46.208 1.00 0.00 ATOM 345 CD2 LEU 44 39.425 -14.408 46.093 1.00 0.00 ATOM 346 O LEU 44 40.905 -15.616 41.123 1.00 0.00 ATOM 347 C LEU 44 41.123 -14.939 42.128 1.00 0.00 ATOM 348 N GLY 45 42.311 -14.398 42.427 1.00 0.00 ATOM 349 CA GLY 45 43.532 -14.641 41.631 1.00 0.00 ATOM 350 O GLY 45 43.822 -16.817 42.587 1.00 0.00 ATOM 351 C GLY 45 43.882 -16.116 41.568 1.00 0.00 ATOM 352 N LYS 46 44.240 -16.600 40.377 1.00 0.00 ATOM 353 CA LYS 46 44.537 -18.037 40.187 1.00 0.00 ATOM 354 CB LYS 46 44.616 -18.368 38.688 1.00 0.00 ATOM 355 CG LYS 46 43.262 -18.314 38.005 1.00 0.00 ATOM 356 CD LYS 46 43.375 -18.518 36.529 1.00 0.00 ATOM 357 CE LYS 46 41.953 -18.598 35.953 1.00 0.00 ATOM 358 NZ LYS 46 41.986 -18.783 34.506 1.00 0.00 ATOM 359 O LYS 46 45.904 -19.698 41.233 1.00 0.00 ATOM 360 C LYS 46 45.810 -18.527 40.848 1.00 0.00 ATOM 361 N THR 47 46.813 -17.666 40.931 1.00 0.00 ATOM 362 CA THR 47 48.075 -18.081 41.553 1.00 0.00 ATOM 363 CB THR 47 49.346 -17.692 40.728 1.00 0.00 ATOM 364 CG2 THR 47 49.218 -18.206 39.278 1.00 0.00 ATOM 365 OG1 THR 47 49.516 -16.256 40.742 1.00 0.00 ATOM 366 O THR 47 48.909 -18.002 43.735 1.00 0.00 ATOM 367 C THR 47 48.160 -17.502 42.921 1.00 0.00 ATOM 368 N THR 48 47.425 -16.418 43.185 1.00 0.00 ATOM 369 CA THR 48 47.544 -15.798 44.521 1.00 0.00 ATOM 370 CB THR 48 47.712 -14.249 44.497 1.00 0.00 ATOM 371 CG2 THR 48 48.944 -13.826 43.665 1.00 0.00 ATOM 372 OG1 THR 48 46.514 -13.646 43.980 1.00 0.00 ATOM 373 O THR 48 46.633 -16.131 46.688 1.00 0.00 ATOM 374 C THR 48 46.418 -16.159 45.480 1.00 0.00 ATOM 375 N GLY 49 45.233 -16.485 44.961 1.00 0.00 ATOM 376 CA GLY 49 44.062 -16.752 45.826 1.00 0.00 ATOM 377 O GLY 49 42.840 -15.541 47.519 1.00 0.00 ATOM 378 C GLY 49 43.556 -15.479 46.519 1.00 0.00 ATOM 379 N LYS 50 43.953 -14.311 46.020 1.00 0.00 ATOM 380 CA LYS 50 43.451 -13.072 46.577 1.00 0.00 ATOM 381 CB LYS 50 44.610 -12.118 46.927 1.00 0.00 ATOM 382 CG LYS 50 45.695 -12.684 47.842 1.00 0.00 ATOM 383 CD LYS 50 45.270 -12.686 49.299 1.00 0.00 ATOM 384 CE LYS 50 46.481 -12.742 50.247 1.00 0.00 ATOM 385 NZ LYS 50 47.045 -11.375 50.590 1.00 0.00 ATOM 386 O LYS 50 42.767 -12.625 44.302 1.00 0.00 ATOM 387 C LYS 50 42.550 -12.426 45.510 1.00 0.00 ATOM 388 N LYS 51 41.579 -11.638 45.956 1.00 0.00 ATOM 389 CA LYS 51 40.658 -10.945 45.067 1.00 0.00 ATOM 390 CB LYS 51 39.691 -10.040 45.848 1.00 0.00 ATOM 391 CG LYS 51 38.592 -9.468 44.933 1.00 0.00 ATOM 392 CD LYS 51 37.361 -8.932 45.688 1.00 0.00 ATOM 393 CE LYS 51 36.304 -8.377 44.725 1.00 0.00 ATOM 394 NZ LYS 51 35.109 -7.862 45.462 1.00 0.00 ATOM 395 O LYS 51 42.263 -9.302 44.404 1.00 0.00 ATOM 396 C LYS 51 41.413 -10.105 44.039 1.00 0.00 ATOM 397 N LEU 52 41.104 -10.328 42.763 1.00 0.00 ATOM 398 CA LEU 52 41.660 -9.539 41.682 1.00 0.00 ATOM 399 CB LEU 52 41.400 -10.248 40.341 1.00 0.00 ATOM 400 CG LEU 52 42.182 -11.535 40.097 1.00 0.00 ATOM 401 CD1 LEU 52 41.378 -12.390 39.120 1.00 0.00 ATOM 402 CD2 LEU 52 43.610 -11.217 39.513 1.00 0.00 ATOM 403 O LEU 52 40.111 -7.869 40.887 1.00 0.00 ATOM 404 C LEU 52 41.011 -8.158 41.682 1.00 0.00 ATOM 405 N CYS 53 41.444 -7.297 42.579 1.00 0.00 ATOM 406 CA CYS 53 40.790 -5.983 42.694 1.00 0.00 ATOM 407 CB CYS 53 39.516 -6.099 43.560 1.00 0.00 ATOM 408 SG CYS 53 38.515 -4.583 43.527 1.00 0.00 ATOM 409 O CYS 53 42.499 -5.318 44.255 1.00 0.00 ATOM 410 C CYS 53 41.751 -4.971 43.321 1.00 0.00 ATOM 411 N TYR 54 41.730 -3.725 42.838 1.00 0.00 ATOM 412 CA TYR 54 42.563 -2.689 43.462 1.00 0.00 ATOM 413 CB TYR 54 42.845 -1.550 42.465 1.00 0.00 ATOM 414 CG TYR 54 43.754 -1.924 41.296 1.00 0.00 ATOM 415 CD1 TYR 54 44.942 -2.669 41.477 1.00 0.00 ATOM 416 CD2 TYR 54 43.442 -1.504 40.017 1.00 0.00 ATOM 417 CE1 TYR 54 45.775 -2.998 40.361 1.00 0.00 ATOM 418 CE2 TYR 54 44.242 -1.831 38.907 1.00 0.00 ATOM 419 CZ TYR 54 45.435 -2.556 39.077 1.00 0.00 ATOM 420 OH TYR 54 46.233 -2.861 37.946 1.00 0.00 ATOM 421 O TYR 54 42.676 -1.340 45.476 1.00 0.00 ATOM 422 C TYR 54 41.985 -2.087 44.762 1.00 0.00 ATOM 423 N LYS 55 40.720 -2.350 45.050 1.00 0.00 ATOM 424 CA LYS 55 40.094 -1.685 46.188 1.00 0.00 ATOM 425 CB LYS 55 38.580 -1.976 46.261 1.00 0.00 ATOM 426 CG LYS 55 37.869 -1.229 47.406 1.00 0.00 ATOM 427 CD LYS 55 36.358 -1.393 47.286 1.00 0.00 ATOM 428 CE LYS 55 35.568 -0.841 48.474 1.00 0.00 ATOM 429 NZ LYS 55 34.074 -0.786 48.126 1.00 0.00 ATOM 430 O LYS 55 40.842 -3.423 47.649 1.00 0.00 ATOM 431 C LYS 55 40.774 -2.200 47.450 1.00 0.00 ATOM 432 N GLY 56 41.261 -1.286 48.299 1.00 0.00 ATOM 433 CA GLY 56 41.956 -1.680 49.527 1.00 0.00 ATOM 434 O GLY 56 44.215 -2.099 50.329 1.00 0.00 ATOM 435 C GLY 56 43.466 -1.886 49.339 1.00 0.00 ATOM 436 N SER 57 43.928 -1.789 48.087 1.00 0.00 ATOM 437 CA SER 57 45.352 -1.813 47.776 1.00 0.00 ATOM 438 CB SER 57 45.575 -2.284 46.308 1.00 0.00 ATOM 439 OG SER 57 45.335 -1.252 45.335 1.00 0.00 ATOM 440 O SER 57 45.343 0.576 48.379 1.00 0.00 ATOM 441 C SER 57 46.025 -0.419 48.094 1.00 0.00 ATOM 442 N THR 58 47.360 -0.371 48.089 1.00 0.00 ATOM 443 CA THR 58 48.109 0.826 48.477 1.00 0.00 ATOM 444 CB THR 58 48.996 0.525 49.706 1.00 0.00 ATOM 445 CG2 THR 58 48.157 0.042 50.928 1.00 0.00 ATOM 446 OG1 THR 58 49.883 -0.531 49.381 1.00 0.00 ATOM 447 O THR 58 49.197 0.600 46.343 1.00 0.00 ATOM 448 C THR 58 49.022 1.296 47.345 1.00 0.00 ATOM 449 N PHE 59 49.630 2.468 47.514 1.00 0.00 ATOM 450 CA PHE 59 50.771 2.843 46.715 1.00 0.00 ATOM 451 CB PHE 59 50.734 4.329 46.334 1.00 0.00 ATOM 452 CG PHE 59 49.836 4.602 45.174 1.00 0.00 ATOM 453 CD1 PHE 59 50.377 4.765 43.904 1.00 0.00 ATOM 454 CD2 PHE 59 48.434 4.582 45.328 1.00 0.00 ATOM 455 CE1 PHE 59 49.549 4.962 42.803 1.00 0.00 ATOM 456 CE2 PHE 59 47.591 4.782 44.228 1.00 0.00 ATOM 457 CZ PHE 59 48.156 4.992 42.963 1.00 0.00 ATOM 458 O PHE 59 52.162 3.208 48.579 1.00 0.00 ATOM 459 C PHE 59 51.971 2.557 47.562 1.00 0.00 ATOM 460 N HIS 60 52.815 1.619 47.130 1.00 0.00 ATOM 461 CA HIS 60 53.854 1.088 48.023 1.00 0.00 ATOM 462 CB HIS 60 53.829 -0.433 47.976 1.00 0.00 ATOM 463 CG HIS 60 54.224 -0.977 46.640 1.00 0.00 ATOM 464 CD2 HIS 60 55.446 -1.281 46.135 1.00 0.00 ATOM 465 ND1 HIS 60 53.310 -1.234 45.637 1.00 0.00 ATOM 466 CE1 HIS 60 53.954 -1.716 44.587 1.00 0.00 ATOM 467 NE2 HIS 60 55.254 -1.718 44.850 1.00 0.00 ATOM 468 O HIS 60 56.194 1.295 48.312 1.00 0.00 ATOM 469 C HIS 60 55.232 1.572 47.620 1.00 0.00 ATOM 470 N ARG 61 55.330 2.298 46.509 1.00 0.00 ATOM 471 CA ARG 61 56.627 2.858 46.072 1.00 0.00 ATOM 472 CB ARG 61 57.368 1.923 45.074 1.00 0.00 ATOM 473 CG ARG 61 58.823 2.367 44.665 1.00 0.00 ATOM 474 CD ARG 61 59.476 1.317 43.701 1.00 0.00 ATOM 475 NE ARG 61 60.773 1.804 43.206 1.00 0.00 ATOM 476 CZ ARG 61 61.936 1.626 43.848 1.00 0.00 ATOM 477 NH1 ARG 61 61.984 0.917 44.988 1.00 0.00 ATOM 478 NH2 ARG 61 63.067 2.118 43.342 1.00 0.00 ATOM 479 O ARG 61 55.569 4.453 44.607 1.00 0.00 ATOM 480 C ARG 61 56.416 4.248 45.493 1.00 0.00 ATOM 481 N VAL 62 57.182 5.200 46.020 1.00 0.00 ATOM 482 CA VAL 62 57.024 6.605 45.662 1.00 0.00 ATOM 483 CB VAL 62 56.319 7.415 46.785 1.00 0.00 ATOM 484 CG1 VAL 62 56.544 8.918 46.584 1.00 0.00 ATOM 485 CG2 VAL 62 54.822 7.057 46.846 1.00 0.00 ATOM 486 O VAL 62 59.289 7.051 46.256 1.00 0.00 ATOM 487 C VAL 62 58.398 7.176 45.406 1.00 0.00 ATOM 488 N VAL 63 58.587 7.755 44.220 1.00 0.00 ATOM 489 CA VAL 63 59.864 8.470 43.926 1.00 0.00 ATOM 490 CB VAL 63 60.753 7.691 42.920 1.00 0.00 ATOM 491 CG1 VAL 63 62.108 8.400 42.714 1.00 0.00 ATOM 492 CG2 VAL 63 60.988 6.238 43.410 1.00 0.00 ATOM 493 O VAL 63 59.100 10.060 42.311 1.00 0.00 ATOM 494 C VAL 63 59.585 9.891 43.425 1.00 0.00 ATOM 495 N LYS 64 59.891 10.892 44.247 1.00 0.00 ATOM 496 CA LYS 64 59.536 12.255 43.907 1.00 0.00 ATOM 497 CB LYS 64 59.937 13.227 45.042 1.00 0.00 ATOM 498 CG LYS 64 59.692 14.702 44.743 1.00 0.00 ATOM 499 CD LYS 64 59.761 15.529 46.016 1.00 0.00 ATOM 500 CE LYS 64 60.209 16.987 45.791 1.00 0.00 ATOM 501 NZ LYS 64 60.598 17.658 47.101 1.00 0.00 ATOM 502 O LYS 64 61.387 12.402 42.369 1.00 0.00 ATOM 503 C LYS 64 60.180 12.661 42.590 1.00 0.00 ATOM 504 N ASN 65 59.377 13.251 41.707 1.00 0.00 ATOM 505 CA ASN 65 59.854 13.705 40.384 1.00 0.00 ATOM 506 CB ASN 65 61.114 14.570 40.524 1.00 0.00 ATOM 507 CG ASN 65 60.846 15.876 41.252 1.00 0.00 ATOM 508 ND2 ASN 65 61.859 16.373 41.970 1.00 0.00 ATOM 509 OD1 ASN 65 59.751 16.454 41.151 1.00 0.00 ATOM 510 O ASN 65 60.786 12.711 38.387 1.00 0.00 ATOM 511 C ASN 65 60.122 12.557 39.424 1.00 0.00 ATOM 512 N PHE 66 59.612 11.388 39.768 1.00 0.00 ATOM 513 CA PHE 66 59.727 10.262 38.854 1.00 0.00 ATOM 514 CB PHE 66 60.830 9.307 39.352 1.00 0.00 ATOM 515 CG PHE 66 61.039 8.109 38.487 1.00 0.00 ATOM 516 CD1 PHE 66 60.915 8.187 37.096 1.00 0.00 ATOM 517 CD2 PHE 66 61.425 6.892 39.047 1.00 0.00 ATOM 518 CE1 PHE 66 61.143 7.070 36.293 1.00 0.00 ATOM 519 CE2 PHE 66 61.623 5.768 38.255 1.00 0.00 ATOM 520 CZ PHE 66 61.503 5.862 36.869 1.00 0.00 ATOM 521 O PHE 66 57.795 9.568 37.534 1.00 0.00 ATOM 522 C PHE 66 58.377 9.561 38.659 1.00 0.00 ATOM 523 N MET 67 57.877 8.925 39.718 1.00 0.00 ATOM 524 CA MET 67 56.686 8.118 39.535 1.00 0.00 ATOM 525 CB MET 67 57.006 6.867 38.705 1.00 0.00 ATOM 526 CG MET 67 57.983 5.851 39.380 1.00 0.00 ATOM 527 SD MET 67 57.128 4.582 40.366 1.00 0.00 ATOM 528 CE MET 67 58.502 4.149 41.436 1.00 0.00 ATOM 529 O MET 67 56.839 7.716 41.912 1.00 0.00 ATOM 530 C MET 67 56.122 7.702 40.879 1.00 0.00 ATOM 531 N ILE 68 54.844 7.332 40.867 1.00 0.00 ATOM 532 CA ILE 68 54.246 6.589 41.993 1.00 0.00 ATOM 533 CB ILE 68 53.118 7.419 42.709 1.00 0.00 ATOM 534 CG1 ILE 68 51.891 7.612 41.792 1.00 0.00 ATOM 535 CG2 ILE 68 53.743 8.692 43.300 1.00 0.00 ATOM 536 CD1 ILE 68 50.690 8.359 42.488 1.00 0.00 ATOM 537 O ILE 68 53.206 5.051 40.440 1.00 0.00 ATOM 538 C ILE 68 53.724 5.197 41.549 1.00 0.00 ATOM 539 N GLN 69 53.826 4.195 42.427 1.00 0.00 ATOM 540 CA GLN 69 53.585 2.802 42.026 1.00 0.00 ATOM 541 CB GLN 69 54.894 2.000 41.936 1.00 0.00 ATOM 542 CG GLN 69 54.701 0.464 41.676 1.00 0.00 ATOM 543 CD GLN 69 55.991 -0.226 41.205 1.00 0.00 ATOM 544 OE1 GLN 69 56.924 0.442 40.778 1.00 0.00 ATOM 545 NE2 GLN 69 56.052 -1.563 41.308 1.00 0.00 ATOM 546 O GLN 69 52.807 2.244 44.169 1.00 0.00 ATOM 547 C GLN 69 52.656 2.105 42.964 1.00 0.00 ATOM 548 N GLY 70 51.691 1.353 42.439 1.00 0.00 ATOM 549 CA GLY 70 50.794 0.599 43.315 1.00 0.00 ATOM 550 O GLY 70 51.109 -1.228 41.750 1.00 0.00 ATOM 551 C GLY 70 50.390 -0.720 42.649 1.00 0.00 ATOM 552 N GLY 71 49.240 -1.252 43.076 1.00 0.00 ATOM 553 CA GLY 71 48.632 -2.446 42.464 1.00 0.00 ATOM 554 O GLY 71 48.621 -4.829 42.457 1.00 0.00 ATOM 555 C GLY 71 49.063 -3.813 42.979 1.00 0.00 ATOM 556 N ASP 72 49.857 -3.840 44.048 1.00 0.00 ATOM 557 CA ASP 72 50.291 -5.107 44.607 1.00 0.00 ATOM 558 CB ASP 72 51.706 -5.012 45.209 1.00 0.00 ATOM 559 CG ASP 72 52.139 -6.322 45.838 1.00 0.00 ATOM 560 OD1 ASP 72 51.287 -7.208 45.965 1.00 0.00 ATOM 561 OD2 ASP 72 53.319 -6.467 46.205 1.00 0.00 ATOM 562 O ASP 72 49.410 -5.214 46.840 1.00 0.00 ATOM 563 C ASP 72 49.267 -5.496 45.654 1.00 0.00 ATOM 564 N PHE 73 48.200 -6.135 45.198 1.00 0.00 ATOM 565 CA PHE 73 47.068 -6.396 46.082 1.00 0.00 ATOM 566 CB PHE 73 45.757 -6.569 45.266 1.00 0.00 ATOM 567 CG PHE 73 45.790 -7.722 44.304 1.00 0.00 ATOM 568 CD1 PHE 73 45.670 -9.054 44.764 1.00 0.00 ATOM 569 CD2 PHE 73 45.872 -7.487 42.940 1.00 0.00 ATOM 570 CE1 PHE 73 45.673 -10.131 43.870 1.00 0.00 ATOM 571 CE2 PHE 73 45.870 -8.555 42.033 1.00 0.00 ATOM 572 CZ PHE 73 45.773 -9.883 42.490 1.00 0.00 ATOM 573 O PHE 73 46.547 -7.788 47.940 1.00 0.00 ATOM 574 C PHE 73 47.299 -7.598 46.982 1.00 0.00 ATOM 575 N SER 74 48.319 -8.411 46.687 1.00 0.00 ATOM 576 CA SER 74 48.514 -9.649 47.450 1.00 0.00 ATOM 577 CB SER 74 48.791 -10.865 46.566 1.00 0.00 ATOM 578 OG SER 74 50.036 -10.770 45.895 1.00 0.00 ATOM 579 O SER 74 49.483 -10.182 49.545 1.00 0.00 ATOM 580 C SER 74 49.574 -9.514 48.509 1.00 0.00 ATOM 581 N GLU 75 50.547 -8.630 48.276 1.00 0.00 ATOM 582 CA GLU 75 51.637 -8.456 49.227 1.00 0.00 ATOM 583 CB GLU 75 52.948 -8.987 48.655 1.00 0.00 ATOM 584 CG GLU 75 52.862 -10.355 48.014 1.00 0.00 ATOM 585 CD GLU 75 53.429 -11.419 48.833 1.00 0.00 ATOM 586 OE1 GLU 75 53.170 -11.418 50.056 1.00 0.00 ATOM 587 OE2 GLU 75 54.129 -12.268 48.238 1.00 0.00 ATOM 588 O GLU 75 52.517 -6.775 50.686 1.00 0.00 ATOM 589 C GLU 75 51.857 -7.015 49.662 1.00 0.00 ATOM 590 N GLY 76 51.340 -6.053 48.905 1.00 0.00 ATOM 591 CA GLY 76 51.519 -4.633 49.287 1.00 0.00 ATOM 592 O GLY 76 53.247 -3.140 50.035 1.00 0.00 ATOM 593 C GLY 76 52.970 -4.156 49.382 1.00 0.00 ATOM 594 N ASN 77 53.907 -4.816 48.691 1.00 0.00 ATOM 595 CA ASN 77 55.326 -4.425 48.847 1.00 0.00 ATOM 596 CB ASN 77 56.021 -5.200 49.981 1.00 0.00 ATOM 597 CG ASN 77 55.993 -6.689 49.766 1.00 0.00 ATOM 598 ND2 ASN 77 56.297 -7.453 50.815 1.00 0.00 ATOM 599 OD1 ASN 77 55.698 -7.155 48.666 1.00 0.00 ATOM 600 O ASN 77 57.335 -4.282 47.566 1.00 0.00 ATOM 601 C ASN 77 56.131 -4.527 47.569 1.00 0.00 ATOM 602 N GLY 78 55.465 -4.850 46.467 1.00 0.00 ATOM 603 CA GLY 78 56.170 -4.937 45.214 1.00 0.00 ATOM 604 O GLY 78 56.773 -6.612 43.621 1.00 0.00 ATOM 605 C GLY 78 56.432 -6.365 44.786 1.00 0.00 ATOM 606 N LYS 79 56.282 -7.318 45.707 1.00 0.00 ATOM 607 CA LYS 79 56.562 -8.713 45.347 1.00 0.00 ATOM 608 CB LYS 79 57.109 -9.519 46.542 1.00 0.00 ATOM 609 CG LYS 79 58.413 -9.000 47.090 1.00 0.00 ATOM 610 CD LYS 79 58.932 -9.860 48.215 1.00 0.00 ATOM 611 CE LYS 79 60.182 -9.244 48.827 1.00 0.00 ATOM 612 NZ LYS 79 61.256 -9.044 47.792 1.00 0.00 ATOM 613 O LYS 79 55.465 -10.468 44.145 1.00 0.00 ATOM 614 C LYS 79 55.329 -9.418 44.776 1.00 0.00 ATOM 615 N GLY 80 54.134 -8.869 45.016 1.00 0.00 ATOM 616 CA GLY 80 52.909 -9.569 44.665 1.00 0.00 ATOM 617 O GLY 80 52.648 -8.414 42.518 1.00 0.00 ATOM 618 C GLY 80 52.115 -9.075 43.466 1.00 0.00 ATOM 619 N GLY 81 50.831 -9.435 43.512 1.00 0.00 ATOM 620 CA GLY 81 49.873 -9.152 42.465 1.00 0.00 ATOM 621 O GLY 81 50.980 -10.842 41.169 1.00 0.00 ATOM 622 C GLY 81 49.971 -10.158 41.331 1.00 0.00 ATOM 623 N GLU 82 48.922 -10.226 40.522 1.00 0.00 ATOM 624 CA GLU 82 48.961 -10.989 39.261 1.00 0.00 ATOM 625 CB GLU 82 48.709 -12.483 39.541 1.00 0.00 ATOM 626 CG GLU 82 47.272 -12.771 40.037 1.00 0.00 ATOM 627 CD GLU 82 47.059 -14.247 40.313 1.00 0.00 ATOM 628 OE1 GLU 82 47.419 -15.087 39.441 1.00 0.00 ATOM 629 OE2 GLU 82 46.541 -14.559 41.396 1.00 0.00 ATOM 630 O GLU 82 46.959 -9.699 38.870 1.00 0.00 ATOM 631 C GLU 82 47.833 -10.464 38.392 1.00 0.00 ATOM 632 N SER 83 47.860 -10.845 37.121 1.00 0.00 ATOM 633 CA SER 83 46.823 -10.454 36.172 1.00 0.00 ATOM 634 CB SER 83 47.395 -10.485 34.763 1.00 0.00 ATOM 635 OG SER 83 47.360 -11.818 34.277 1.00 0.00 ATOM 636 O SER 83 45.550 -12.457 36.805 1.00 0.00 ATOM 637 C SER 83 45.563 -11.356 36.226 1.00 0.00 ATOM 638 N ILE 84 44.508 -10.899 35.567 1.00 0.00 ATOM 639 CA ILE 84 43.267 -11.669 35.435 1.00 0.00 ATOM 640 CB ILE 84 42.121 -10.791 34.841 1.00 0.00 ATOM 641 CG1 ILE 84 42.430 -10.333 33.417 1.00 0.00 ATOM 642 CG2 ILE 84 41.852 -9.596 35.746 1.00 0.00 ATOM 643 CD1 ILE 84 41.222 -9.788 32.701 1.00 0.00 ATOM 644 O ILE 84 42.648 -13.838 34.610 1.00 0.00 ATOM 645 C ILE 84 43.476 -12.927 34.582 1.00 0.00 ATOM 646 N TYR 85 44.599 -13.007 33.868 1.00 0.00 ATOM 647 CA TYR 85 44.839 -14.160 33.006 1.00 0.00 ATOM 648 CB TYR 85 45.691 -13.763 31.787 1.00 0.00 ATOM 649 CG TYR 85 45.116 -12.505 31.149 1.00 0.00 ATOM 650 CD1 TYR 85 43.877 -12.538 30.511 1.00 0.00 ATOM 651 CD2 TYR 85 45.795 -11.284 31.215 1.00 0.00 ATOM 652 CE1 TYR 85 43.325 -11.394 29.958 1.00 0.00 ATOM 653 CE2 TYR 85 45.231 -10.108 30.665 1.00 0.00 ATOM 654 CZ TYR 85 44.007 -10.177 30.038 1.00 0.00 ATOM 655 OH TYR 85 43.455 -9.041 29.492 1.00 0.00 ATOM 656 O TYR 85 45.483 -16.421 33.234 1.00 0.00 ATOM 657 C TYR 85 45.435 -15.338 33.765 1.00 0.00 ATOM 658 N GLY 86 45.853 -15.108 35.014 1.00 0.00 ATOM 659 CA GLY 86 46.564 -16.100 35.831 1.00 0.00 ATOM 660 O GLY 86 48.698 -16.131 34.741 1.00 0.00 ATOM 661 C GLY 86 48.074 -15.909 35.785 1.00 0.00 ATOM 662 N GLY 87 48.672 -15.489 36.895 1.00 0.00 ATOM 663 CA GLY 87 50.076 -15.059 36.865 1.00 0.00 ATOM 664 O GLY 87 49.420 -12.946 35.902 1.00 0.00 ATOM 665 C GLY 87 50.249 -13.888 35.907 1.00 0.00 ATOM 666 N TYR 88 51.332 -13.938 35.120 1.00 0.00 ATOM 667 CA TYR 88 51.846 -12.791 34.384 1.00 0.00 ATOM 668 CB TYR 88 53.393 -12.719 34.465 1.00 0.00 ATOM 669 CG TYR 88 53.982 -12.470 35.839 1.00 0.00 ATOM 670 CD1 TYR 88 53.264 -11.760 36.801 1.00 0.00 ATOM 671 CD2 TYR 88 55.262 -12.941 36.183 1.00 0.00 ATOM 672 CE1 TYR 88 53.786 -11.529 38.073 1.00 0.00 ATOM 673 CE2 TYR 88 55.795 -12.719 37.463 1.00 0.00 ATOM 674 CZ TYR 88 55.051 -11.989 38.396 1.00 0.00 ATOM 675 OH TYR 88 55.516 -11.717 39.667 1.00 0.00 ATOM 676 O TYR 88 51.135 -13.954 32.463 1.00 0.00 ATOM 677 C TYR 88 51.431 -12.897 32.917 1.00 0.00 ATOM 678 N PHE 89 51.375 -11.789 32.194 1.00 0.00 ATOM 679 CA PHE 89 51.134 -11.843 30.755 1.00 0.00 ATOM 680 CB PHE 89 49.691 -11.413 30.413 1.00 0.00 ATOM 681 CG PHE 89 49.355 -9.968 30.768 1.00 0.00 ATOM 682 CD1 PHE 89 49.264 -9.005 29.775 1.00 0.00 ATOM 683 CD2 PHE 89 49.091 -9.594 32.080 1.00 0.00 ATOM 684 CE1 PHE 89 48.925 -7.658 30.059 1.00 0.00 ATOM 685 CE2 PHE 89 48.775 -8.255 32.396 1.00 0.00 ATOM 686 CZ PHE 89 48.699 -7.283 31.365 1.00 0.00 ATOM 687 O PHE 89 52.908 -10.209 30.556 1.00 0.00 ATOM 688 C PHE 89 52.201 -11.042 29.979 1.00 0.00 ATOM 689 N LYS 90 52.327 -11.323 28.680 1.00 0.00 ATOM 690 CA LYS 90 53.382 -10.736 27.855 1.00 0.00 ATOM 691 CB LYS 90 53.370 -11.375 26.474 1.00 0.00 ATOM 692 CG LYS 90 53.691 -12.857 26.430 1.00 0.00 ATOM 693 CD LYS 90 53.897 -13.305 24.971 1.00 0.00 ATOM 694 CE LYS 90 54.428 -14.742 24.876 1.00 0.00 ATOM 695 NZ LYS 90 55.853 -14.919 25.318 1.00 0.00 ATOM 696 O LYS 90 52.134 -8.640 27.812 1.00 0.00 ATOM 697 C LYS 90 53.241 -9.206 27.683 1.00 0.00 ATOM 698 N ASP 91 54.376 -8.564 27.390 1.00 0.00 ATOM 699 CA ASP 91 54.432 -7.150 27.010 1.00 0.00 ATOM 700 CB ASP 91 55.890 -6.710 26.814 1.00 0.00 ATOM 701 CG ASP 91 56.683 -6.717 28.120 1.00 0.00 ATOM 702 OD1 ASP 91 56.127 -6.245 29.146 1.00 0.00 ATOM 703 OD2 ASP 91 57.851 -7.192 28.133 1.00 0.00 ATOM 704 O ASP 91 53.981 -7.646 24.661 1.00 0.00 ATOM 705 C ASP 91 53.625 -7.037 25.706 1.00 0.00 ATOM 706 N GLU 92 52.492 -6.349 25.788 1.00 0.00 ATOM 707 CA GLU 92 51.570 -6.326 24.629 1.00 0.00 ATOM 708 CB GLU 92 50.240 -5.681 25.036 1.00 0.00 ATOM 709 CG GLU 92 49.135 -5.846 23.984 1.00 0.00 ATOM 710 CD GLU 92 47.754 -5.508 24.535 1.00 0.00 ATOM 711 OE1 GLU 92 47.652 -4.913 25.646 1.00 0.00 ATOM 712 OE2 GLU 92 46.782 -5.853 23.849 1.00 0.00 ATOM 713 O GLU 92 52.206 -6.105 22.294 1.00 0.00 ATOM 714 C GLU 92 52.212 -5.607 23.422 1.00 0.00 ATOM 715 N ASN 93 52.776 -4.431 23.666 1.00 0.00 ATOM 716 CA ASN 93 53.555 -3.724 22.635 1.00 0.00 ATOM 717 CB ASN 93 52.672 -3.287 21.443 1.00 0.00 ATOM 718 CG ASN 93 51.620 -2.268 21.849 1.00 0.00 ATOM 719 ND2 ASN 93 50.346 -2.641 21.748 1.00 0.00 ATOM 720 OD1 ASN 93 51.953 -1.163 22.271 1.00 0.00 ATOM 721 O ASN 93 53.785 -2.196 24.441 1.00 0.00 ATOM 722 C ASN 93 54.169 -2.524 23.316 1.00 0.00 ATOM 723 N PHE 94 55.127 -1.880 22.663 1.00 0.00 ATOM 724 CA PHE 94 55.702 -0.678 23.253 1.00 0.00 ATOM 725 CB PHE 94 57.193 -0.878 23.517 1.00 0.00 ATOM 726 CG PHE 94 57.485 -1.980 24.487 1.00 0.00 ATOM 727 CD1 PHE 94 57.265 -1.801 25.855 1.00 0.00 ATOM 728 CD2 PHE 94 58.011 -3.208 24.034 1.00 0.00 ATOM 729 CE1 PHE 94 57.548 -2.838 26.746 1.00 0.00 ATOM 730 CE2 PHE 94 58.297 -4.237 24.916 1.00 0.00 ATOM 731 CZ PHE 94 58.070 -4.049 26.276 1.00 0.00 ATOM 732 O PHE 94 56.364 1.385 22.218 1.00 0.00 ATOM 733 C PHE 94 55.478 0.528 22.366 1.00 0.00 ATOM 734 N ILE 95 54.293 0.600 21.765 1.00 0.00 ATOM 735 CA ILE 95 53.994 1.721 20.868 1.00 0.00 ATOM 736 CB ILE 95 52.717 1.461 20.081 1.00 0.00 ATOM 737 CG1 ILE 95 52.877 0.151 19.284 1.00 0.00 ATOM 738 CG2 ILE 95 52.448 2.628 19.135 1.00 0.00 ATOM 739 CD1 ILE 95 51.567 -0.372 18.753 1.00 0.00 ATOM 740 O ILE 95 54.582 4.067 21.063 1.00 0.00 ATOM 741 C ILE 95 53.960 3.094 21.566 1.00 0.00 ATOM 742 N LEU 96 53.267 3.177 22.713 1.00 0.00 ATOM 743 CA LEU 96 53.181 4.426 23.450 1.00 0.00 ATOM 744 CB LEU 96 51.989 4.430 24.393 1.00 0.00 ATOM 745 CG LEU 96 50.607 4.506 23.734 1.00 0.00 ATOM 746 CD1 LEU 96 49.422 4.262 24.751 1.00 0.00 ATOM 747 CD2 LEU 96 50.440 5.816 23.028 1.00 0.00 ATOM 748 O LEU 96 55.032 3.717 24.745 1.00 0.00 ATOM 749 C LEU 96 54.453 4.667 24.227 1.00 0.00 ATOM 750 N LYS 97 54.913 5.927 24.266 1.00 0.00 ATOM 751 CA LYS 97 56.182 6.277 24.910 1.00 0.00 ATOM 752 CB LYS 97 56.990 7.248 24.037 1.00 0.00 ATOM 753 CG LYS 97 57.147 6.795 22.585 1.00 0.00 ATOM 754 CD LYS 97 57.765 5.401 22.409 1.00 0.00 ATOM 755 CE LYS 97 57.723 5.052 20.886 1.00 0.00 ATOM 756 NZ LYS 97 57.717 3.578 20.776 1.00 0.00 ATOM 757 O LYS 97 54.797 7.502 26.460 1.00 0.00 ATOM 758 C LYS 97 55.902 6.978 26.241 1.00 0.00 ATOM 759 N HIS 98 56.906 7.032 27.113 1.00 0.00 ATOM 760 CA HIS 98 56.779 7.773 28.388 1.00 0.00 ATOM 761 CB HIS 98 57.690 7.164 29.465 1.00 0.00 ATOM 762 CG HIS 98 57.386 5.723 29.766 1.00 0.00 ATOM 763 CD2 HIS 98 56.711 5.143 30.791 1.00 0.00 ATOM 764 ND1 HIS 98 57.806 4.693 28.950 1.00 0.00 ATOM 765 CE1 HIS 98 57.410 3.534 29.461 1.00 0.00 ATOM 766 NE2 HIS 98 56.736 3.786 30.576 1.00 0.00 ATOM 767 O HIS 98 58.267 9.638 28.550 1.00 0.00 ATOM 768 C HIS 98 57.205 9.195 28.097 1.00 0.00 ATOM 769 N ASP 99 56.400 9.885 27.292 1.00 0.00 ATOM 770 CA ASP 99 56.810 11.173 26.726 1.00 0.00 ATOM 771 CB ASP 99 56.386 11.298 25.225 1.00 0.00 ATOM 772 CG ASP 99 54.868 11.503 25.054 1.00 0.00 ATOM 773 OD1 ASP 99 54.098 10.895 25.813 1.00 0.00 ATOM 774 OD2 ASP 99 54.412 12.297 24.169 1.00 0.00 ATOM 775 O ASP 99 56.307 13.475 27.039 1.00 0.00 ATOM 776 C ASP 99 56.194 12.328 27.497 1.00 0.00 ATOM 777 N ARG 100 55.502 12.027 28.607 1.00 0.00 ATOM 778 CA ARG 100 54.848 13.071 29.362 1.00 0.00 ATOM 779 CB ARG 100 53.542 13.519 28.673 1.00 0.00 ATOM 780 CG ARG 100 52.422 12.451 28.713 1.00 0.00 ATOM 781 CD ARG 100 51.250 12.759 27.762 1.00 0.00 ATOM 782 NE ARG 100 51.746 12.899 26.402 1.00 0.00 ATOM 783 CZ ARG 100 51.166 13.623 25.448 1.00 0.00 ATOM 784 NH1 ARG 100 50.022 14.256 25.684 1.00 0.00 ATOM 785 NH2 ARG 100 51.739 13.694 24.251 1.00 0.00 ATOM 786 O ARG 100 54.596 11.414 31.052 1.00 0.00 ATOM 787 C ARG 100 54.560 12.602 30.764 1.00 0.00 ATOM 788 N ALA 101 54.250 13.560 31.634 1.00 0.00 ATOM 789 CA ALA 101 53.792 13.262 32.971 1.00 0.00 ATOM 790 CB ALA 101 53.734 14.578 33.781 1.00 0.00 ATOM 791 O ALA 101 51.620 12.783 31.981 1.00 0.00 ATOM 792 C ALA 101 52.401 12.595 32.938 1.00 0.00 ATOM 793 N PHE 102 52.103 11.849 33.999 1.00 0.00 ATOM 794 CA PHE 102 50.761 11.313 34.279 1.00 0.00 ATOM 795 CB PHE 102 49.712 12.428 34.325 1.00 0.00 ATOM 796 CG PHE 102 50.071 13.534 35.279 1.00 0.00 ATOM 797 CD1 PHE 102 50.538 13.239 36.557 1.00 0.00 ATOM 798 CD2 PHE 102 49.967 14.873 34.895 1.00 0.00 ATOM 799 CE1 PHE 102 50.879 14.269 37.467 1.00 0.00 ATOM 800 CE2 PHE 102 50.305 15.925 35.788 1.00 0.00 ATOM 801 CZ PHE 102 50.775 15.623 37.080 1.00 0.00 ATOM 802 O PHE 102 49.118 9.833 33.261 1.00 0.00 ATOM 803 C PHE 102 50.338 10.167 33.384 1.00 0.00 ATOM 804 N LEU 103 51.327 9.509 32.783 1.00 0.00 ATOM 805 CA LEU 103 51.016 8.302 32.018 1.00 0.00 ATOM 806 CB LEU 103 52.129 7.988 31.019 1.00 0.00 ATOM 807 CG LEU 103 52.084 8.894 29.786 1.00 0.00 ATOM 808 CD1 LEU 103 53.433 8.780 29.007 1.00 0.00 ATOM 809 CD2 LEU 103 50.884 8.628 28.862 1.00 0.00 ATOM 810 O LEU 103 51.537 7.099 33.990 1.00 0.00 ATOM 811 C LEU 103 50.876 7.128 32.957 1.00 0.00 ATOM 812 N LEU 104 50.056 6.149 32.578 1.00 0.00 ATOM 813 CA LEU 104 49.877 4.924 33.358 1.00 0.00 ATOM 814 CB LEU 104 48.406 4.585 33.446 1.00 0.00 ATOM 815 CG LEU 104 47.966 3.315 34.167 1.00 0.00 ATOM 816 CD1 LEU 104 48.296 3.372 35.653 1.00 0.00 ATOM 817 CD2 LEU 104 46.446 3.177 33.976 1.00 0.00 ATOM 818 O LEU 104 50.291 3.666 31.330 1.00 0.00 ATOM 819 C LEU 104 50.547 3.818 32.551 1.00 0.00 ATOM 820 N SER 105 51.374 3.035 33.240 1.00 0.00 ATOM 821 CA SER 105 52.294 2.126 32.604 1.00 0.00 ATOM 822 CB SER 105 53.642 2.871 32.435 1.00 0.00 ATOM 823 OG SER 105 54.571 2.133 31.670 1.00 0.00 ATOM 824 O SER 105 52.217 0.967 34.695 1.00 0.00 ATOM 825 C SER 105 52.447 0.891 33.488 1.00 0.00 ATOM 826 N MET 106 52.803 -0.250 32.917 1.00 0.00 ATOM 827 CA MET 106 52.877 -1.492 33.749 1.00 0.00 ATOM 828 CB MET 106 52.664 -2.757 32.905 1.00 0.00 ATOM 829 CG MET 106 51.183 -2.956 32.407 1.00 0.00 ATOM 830 SD MET 106 50.011 -3.027 33.752 1.00 0.00 ATOM 831 CE MET 106 50.404 -4.685 34.375 1.00 0.00 ATOM 832 O MET 106 55.244 -1.487 33.824 1.00 0.00 ATOM 833 C MET 106 54.217 -1.601 34.463 1.00 0.00 ATOM 834 N ALA 107 54.205 -1.800 35.776 1.00 0.00 ATOM 835 CA ALA 107 55.411 -2.214 36.522 1.00 0.00 ATOM 836 CB ALA 107 55.106 -2.273 38.029 1.00 0.00 ATOM 837 O ALA 107 54.890 -4.367 35.626 1.00 0.00 ATOM 838 C ALA 107 55.771 -3.625 36.033 1.00 0.00 ATOM 839 N ASN 108 57.041 -4.035 36.146 1.00 0.00 ATOM 840 CA ASN 108 57.407 -5.413 35.811 1.00 0.00 ATOM 841 CB ASN 108 57.390 -5.635 34.280 1.00 0.00 ATOM 842 CG ASN 108 58.475 -4.884 33.553 1.00 0.00 ATOM 843 ND2 ASN 108 58.107 -4.172 32.480 1.00 0.00 ATOM 844 OD1 ASN 108 59.632 -4.948 33.931 1.00 0.00 ATOM 845 O ASN 108 59.381 -4.926 37.118 1.00 0.00 ATOM 846 C ASN 108 58.741 -5.785 36.467 1.00 0.00 ATOM 847 N ARG 109 59.158 -7.037 36.316 1.00 0.00 ATOM 848 CA ARG 109 60.497 -7.453 36.759 1.00 0.00 ATOM 849 CB ARG 109 60.389 -8.400 37.950 1.00 0.00 ATOM 850 CG ARG 109 59.385 -9.518 37.807 1.00 0.00 ATOM 851 CD ARG 109 59.224 -10.202 39.171 1.00 0.00 ATOM 852 NE ARG 109 58.850 -11.616 39.089 1.00 0.00 ATOM 853 CZ ARG 109 58.554 -12.378 40.154 1.00 0.00 ATOM 854 NH1 ARG 109 58.585 -11.858 41.385 1.00 0.00 ATOM 855 NH2 ARG 109 58.218 -13.665 40.005 1.00 0.00 ATOM 856 O ARG 109 62.030 -9.053 35.815 1.00 0.00 ATOM 857 C ARG 109 61.319 -8.069 35.627 1.00 0.00 ATOM 858 N GLY 110 61.224 -7.467 34.446 1.00 0.00 ATOM 859 CA GLY 110 61.824 -8.063 33.243 1.00 0.00 ATOM 860 O GLY 110 59.535 -8.108 32.419 1.00 0.00 ATOM 861 C GLY 110 60.757 -8.344 32.201 1.00 0.00 ATOM 862 N LYS 111 61.191 -8.825 31.037 1.00 0.00 ATOM 863 CA LYS 111 60.272 -9.044 29.911 1.00 0.00 ATOM 864 CB LYS 111 61.015 -9.567 28.670 1.00 0.00 ATOM 865 CG LYS 111 61.907 -8.523 28.035 1.00 0.00 ATOM 866 CD LYS 111 62.469 -9.035 26.699 1.00 0.00 ATOM 867 CE LYS 111 63.131 -7.862 25.913 1.00 0.00 ATOM 868 NZ LYS 111 62.141 -6.741 25.588 1.00 0.00 ATOM 869 O LYS 111 59.307 -10.954 30.981 1.00 0.00 ATOM 870 C LYS 111 59.114 -9.968 30.271 1.00 0.00 ATOM 871 N HIS 112 57.906 -9.597 29.845 1.00 0.00 ATOM 872 CA HIS 112 56.756 -10.476 29.978 1.00 0.00 ATOM 873 CB HIS 112 56.980 -11.700 29.088 1.00 0.00 ATOM 874 CG HIS 112 57.244 -11.335 27.663 1.00 0.00 ATOM 875 CD2 HIS 112 56.622 -10.448 26.845 1.00 0.00 ATOM 876 ND1 HIS 112 58.281 -11.874 26.925 1.00 0.00 ATOM 877 CE1 HIS 112 58.273 -11.345 25.710 1.00 0.00 ATOM 878 NE2 HIS 112 57.277 -10.481 25.637 1.00 0.00 ATOM 879 O HIS 112 56.143 -12.040 31.715 1.00 0.00 ATOM 880 C HIS 112 56.418 -10.860 31.420 1.00 0.00 ATOM 881 N THR 113 56.422 -9.871 32.329 1.00 0.00 ATOM 882 CA THR 113 56.124 -10.177 33.707 1.00 0.00 ATOM 883 CB THR 113 57.386 -10.158 34.605 1.00 0.00 ATOM 884 CG2 THR 113 58.386 -11.241 34.193 1.00 0.00 ATOM 885 OG1 THR 113 58.001 -8.863 34.552 1.00 0.00 ATOM 886 O THR 113 55.152 -8.760 35.374 1.00 0.00 ATOM 887 C THR 113 55.080 -9.188 34.223 1.00 0.00 ATOM 888 N ASN 114 54.114 -8.851 33.354 1.00 0.00 ATOM 889 CA ASN 114 53.039 -7.930 33.701 1.00 0.00 ATOM 890 CB ASN 114 52.338 -7.406 32.449 1.00 0.00 ATOM 891 CG ASN 114 53.283 -6.673 31.517 1.00 0.00 ATOM 892 ND2 ASN 114 53.691 -5.498 31.934 1.00 0.00 ATOM 893 OD1 ASN 114 53.644 -7.168 30.426 1.00 0.00 ATOM 894 O ASN 114 51.556 -9.730 34.242 1.00 0.00 ATOM 895 C ASN 114 52.035 -8.646 34.581 1.00 0.00 ATOM 896 N GLY 115 51.683 -8.034 35.712 1.00 0.00 ATOM 897 CA GLY 115 50.722 -8.677 36.606 1.00 0.00 ATOM 898 O GLY 115 48.785 -7.479 35.980 1.00 0.00 ATOM 899 C GLY 115 49.580 -7.735 36.870 1.00 0.00 ATOM 900 N SER 116 49.557 -7.168 38.083 1.00 0.00 ATOM 901 CA SER 116 48.610 -6.109 38.429 1.00 0.00 ATOM 902 CB SER 116 47.711 -6.586 39.598 1.00 0.00 ATOM 903 OG SER 116 48.482 -6.843 40.781 1.00 0.00 ATOM 904 O SER 116 48.627 -3.724 38.848 1.00 0.00 ATOM 905 C SER 116 49.286 -4.784 38.791 1.00 0.00 ATOM 906 N GLN 117 50.575 -4.821 39.088 1.00 0.00 ATOM 907 CA GLN 117 51.244 -3.589 39.508 1.00 0.00 ATOM 908 CB GLN 117 52.597 -3.886 40.188 1.00 0.00 ATOM 909 CG GLN 117 52.510 -4.737 41.491 1.00 0.00 ATOM 910 CD GLN 117 53.867 -4.867 42.133 1.00 0.00 ATOM 911 OE1 GLN 117 54.559 -3.866 42.307 1.00 0.00 ATOM 912 NE2 GLN 117 54.275 -6.092 42.467 1.00 0.00 ATOM 913 O GLN 117 51.632 -3.042 37.154 1.00 0.00 ATOM 914 C GLN 117 51.388 -2.621 38.303 1.00 0.00 ATOM 915 N PHE 118 51.242 -1.325 38.592 1.00 0.00 ATOM 916 CA PHE 118 51.256 -0.252 37.591 1.00 0.00 ATOM 917 CB PHE 118 49.796 0.188 37.299 1.00 0.00 ATOM 918 CG PHE 118 49.085 0.711 38.554 1.00 0.00 ATOM 919 CD1 PHE 118 49.251 2.058 38.952 1.00 0.00 ATOM 920 CD2 PHE 118 48.347 -0.160 39.379 1.00 0.00 ATOM 921 CE1 PHE 118 48.686 2.523 40.170 1.00 0.00 ATOM 922 CE2 PHE 118 47.749 0.311 40.569 1.00 0.00 ATOM 923 CZ PHE 118 47.916 1.665 40.948 1.00 0.00 ATOM 924 O PHE 118 52.193 0.986 39.460 1.00 0.00 ATOM 925 C PHE 118 52.006 0.936 38.234 1.00 0.00 ATOM 926 N PHE 119 52.418 1.908 37.439 1.00 0.00 ATOM 927 CA PHE 119 52.944 3.104 38.036 1.00 0.00 ATOM 928 CB PHE 119 54.487 3.091 38.125 1.00 0.00 ATOM 929 CG PHE 119 55.194 2.919 36.778 1.00 0.00 ATOM 930 CD1 PHE 119 55.739 4.030 36.128 1.00 0.00 ATOM 931 CD2 PHE 119 55.313 1.646 36.180 1.00 0.00 ATOM 932 CE1 PHE 119 56.426 3.897 34.904 1.00 0.00 ATOM 933 CE2 PHE 119 55.978 1.485 34.957 1.00 0.00 ATOM 934 CZ PHE 119 56.553 2.628 34.310 1.00 0.00 ATOM 935 O PHE 119 52.055 4.060 36.016 1.00 0.00 ATOM 936 C PHE 119 52.448 4.267 37.187 1.00 0.00 ATOM 937 N ILE 120 52.436 5.450 37.797 1.00 0.00 ATOM 938 CA ILE 120 52.024 6.712 37.144 1.00 0.00 ATOM 939 CB ILE 120 50.875 7.384 37.920 1.00 0.00 ATOM 940 CG1 ILE 120 49.659 6.411 38.051 1.00 0.00 ATOM 941 CG2 ILE 120 50.505 8.823 37.313 1.00 0.00 ATOM 942 CD1 ILE 120 48.491 6.848 39.078 1.00 0.00 ATOM 943 O ILE 120 53.879 7.799 38.247 1.00 0.00 ATOM 944 C ILE 120 53.273 7.613 37.180 1.00 0.00 ATOM 945 N THR 121 53.718 8.097 36.020 1.00 0.00 ATOM 946 CA THR 121 54.912 8.920 35.971 1.00 0.00 ATOM 947 CB THR 121 55.497 8.914 34.552 1.00 0.00 ATOM 948 CG2 THR 121 55.835 7.510 34.088 1.00 0.00 ATOM 949 OG1 THR 121 54.494 9.401 33.658 1.00 0.00 ATOM 950 O THR 121 53.360 10.771 36.200 1.00 0.00 ATOM 951 C THR 121 54.523 10.372 36.341 1.00 0.00 ATOM 952 N THR 122 55.494 11.184 36.763 1.00 0.00 ATOM 953 CA THR 122 55.187 12.553 37.035 1.00 0.00 ATOM 954 CB THR 122 55.314 12.851 38.554 1.00 0.00 ATOM 955 CG2 THR 122 54.341 11.945 39.366 1.00 0.00 ATOM 956 OG1 THR 122 56.646 12.544 38.982 1.00 0.00 ATOM 957 O THR 122 56.099 14.649 36.281 1.00 0.00 ATOM 958 C THR 122 56.082 13.415 36.165 1.00 0.00 ATOM 959 N LYS 123 56.802 12.762 35.260 1.00 0.00 ATOM 960 CA LYS 123 57.607 13.454 34.243 1.00 0.00 ATOM 961 CB LYS 123 58.909 13.966 34.874 1.00 0.00 ATOM 962 CG LYS 123 59.911 12.865 35.174 1.00 0.00 ATOM 963 CD LYS 123 61.301 13.404 35.570 1.00 0.00 ATOM 964 CE LYS 123 61.589 14.810 35.009 1.00 0.00 ATOM 965 NZ LYS 123 63.043 15.220 35.085 1.00 0.00 ATOM 966 O LYS 123 57.726 11.280 33.169 1.00 0.00 ATOM 967 C LYS 123 57.899 12.516 33.045 1.00 0.00 ATOM 968 N PRO 124 58.355 13.079 31.890 1.00 0.00 ATOM 969 CA PRO 124 58.758 12.193 30.801 1.00 0.00 ATOM 970 CB PRO 124 59.338 13.162 29.769 1.00 0.00 ATOM 971 CG PRO 124 58.608 14.443 30.037 1.00 0.00 ATOM 972 CD PRO 124 58.544 14.498 31.524 1.00 0.00 ATOM 973 O PRO 124 60.655 11.617 32.165 1.00 0.00 ATOM 974 C PRO 124 59.843 11.224 31.312 1.00 0.00 ATOM 975 N ALA 125 59.840 9.979 30.835 1.00 0.00 ATOM 976 CA ALA 125 60.825 9.013 31.298 1.00 0.00 ATOM 977 CB ALA 125 60.206 8.179 32.403 1.00 0.00 ATOM 978 O ALA 125 60.934 6.953 30.067 1.00 0.00 ATOM 979 C ALA 125 61.255 8.136 30.113 1.00 0.00 ATOM 980 N PRO 126 61.911 8.734 29.103 1.00 0.00 ATOM 981 CA PRO 126 62.147 7.991 27.870 1.00 0.00 ATOM 982 CB PRO 126 62.784 9.023 26.948 1.00 0.00 ATOM 983 CG PRO 126 63.381 10.094 27.910 1.00 0.00 ATOM 984 CD PRO 126 62.384 10.134 29.026 1.00 0.00 ATOM 985 O PRO 126 62.983 5.870 27.201 1.00 0.00 ATOM 986 C PRO 126 63.051 6.762 28.022 1.00 0.00 ATOM 987 N HIS 127 63.862 6.694 29.074 1.00 0.00 ATOM 988 CA HIS 127 64.668 5.522 29.301 1.00 0.00 ATOM 989 CB HIS 127 65.686 5.718 30.455 1.00 0.00 ATOM 990 CG HIS 127 65.064 6.014 31.785 1.00 0.00 ATOM 991 CD2 HIS 127 65.129 5.344 32.968 1.00 0.00 ATOM 992 ND1 HIS 127 64.308 7.151 32.025 1.00 0.00 ATOM 993 CE1 HIS 127 63.942 7.166 33.297 1.00 0.00 ATOM 994 NE2 HIS 127 64.403 6.070 33.883 1.00 0.00 ATOM 995 O HIS 127 64.290 3.190 29.485 1.00 0.00 ATOM 996 C HIS 127 63.794 4.310 29.576 1.00 0.00 ATOM 997 N LEU 128 62.508 4.523 29.889 1.00 0.00 ATOM 998 CA LEU 128 61.578 3.379 30.123 1.00 0.00 ATOM 999 CB LEU 128 60.529 3.721 31.209 1.00 0.00 ATOM 1000 CG LEU 128 61.067 4.186 32.589 1.00 0.00 ATOM 1001 CD1 LEU 128 59.902 4.462 33.592 1.00 0.00 ATOM 1002 CD2 LEU 128 61.978 3.118 33.127 1.00 0.00 ATOM 1003 O LEU 128 60.213 1.832 28.850 1.00 0.00 ATOM 1004 C LEU 128 60.891 2.857 28.829 1.00 0.00 ATOM 1005 N ASP 129 61.092 3.543 27.700 1.00 0.00 ATOM 1006 CA ASP 129 60.448 3.150 26.468 1.00 0.00 ATOM 1007 CB ASP 129 60.652 4.201 25.360 1.00 0.00 ATOM 1008 CG ASP 129 60.062 5.553 25.714 1.00 0.00 ATOM 1009 OD1 ASP 129 59.222 5.614 26.632 1.00 0.00 ATOM 1010 OD2 ASP 129 60.451 6.566 25.082 1.00 0.00 ATOM 1011 O ASP 129 62.202 1.577 25.957 1.00 0.00 ATOM 1012 C ASP 129 61.003 1.786 26.016 1.00 0.00 ATOM 1013 N GLY 130 60.103 0.872 25.688 1.00 0.00 ATOM 1014 CA GLY 130 60.484 -0.477 25.242 1.00 0.00 ATOM 1015 O GLY 130 61.240 -2.541 26.259 1.00 0.00 ATOM 1016 C GLY 130 60.781 -1.384 26.434 1.00 0.00 ATOM 1017 N VAL 131 60.521 -0.873 27.640 1.00 0.00 ATOM 1018 CA VAL 131 60.712 -1.598 28.895 1.00 0.00 ATOM 1019 CB VAL 131 61.714 -0.829 29.837 1.00 0.00 ATOM 1020 CG1 VAL 131 62.080 -1.671 31.061 1.00 0.00 ATOM 1021 CG2 VAL 131 62.993 -0.465 29.093 1.00 0.00 ATOM 1022 O VAL 131 59.078 -2.981 30.086 1.00 0.00 ATOM 1023 C VAL 131 59.372 -1.848 29.647 1.00 0.00 ATOM 1024 N HIS 132 58.573 -0.786 29.781 1.00 0.00 ATOM 1025 CA HIS 132 57.278 -0.833 30.449 1.00 0.00 ATOM 1026 CB HIS 132 57.254 0.152 31.615 1.00 0.00 ATOM 1027 CG HIS 132 58.252 -0.190 32.666 1.00 0.00 ATOM 1028 CD2 HIS 132 59.544 0.184 32.825 1.00 0.00 ATOM 1029 ND1 HIS 132 58.003 -1.146 33.624 1.00 0.00 ATOM 1030 CE1 HIS 132 59.085 -1.297 34.376 1.00 0.00 ATOM 1031 NE2 HIS 132 60.032 -0.495 33.915 1.00 0.00 ATOM 1032 O HIS 132 56.370 0.521 28.710 1.00 0.00 ATOM 1033 C HIS 132 56.214 -0.467 29.452 1.00 0.00 ATOM 1034 N VAL 133 55.129 -1.244 29.439 1.00 0.00 ATOM 1035 CA VAL 133 54.028 -0.994 28.530 1.00 0.00 ATOM 1036 CB VAL 133 53.119 -2.266 28.356 1.00 0.00 ATOM 1037 CG1 VAL 133 51.893 -1.951 27.494 1.00 0.00 ATOM 1038 CG2 VAL 133 53.898 -3.440 27.749 1.00 0.00 ATOM 1039 O VAL 133 52.561 0.092 30.139 1.00 0.00 ATOM 1040 C VAL 133 53.181 0.183 29.053 1.00 0.00 ATOM 1041 N VAL 134 53.134 1.257 28.264 1.00 0.00 ATOM 1042 CA VAL 134 52.224 2.425 28.528 1.00 0.00 ATOM 1043 CB VAL 134 52.753 3.714 27.882 1.00 0.00 ATOM 1044 CG1 VAL 134 51.763 4.919 28.063 1.00 0.00 ATOM 1045 CG2 VAL 134 54.155 4.019 28.392 1.00 0.00 ATOM 1046 O VAL 134 50.723 1.753 26.766 1.00 0.00 ATOM 1047 C VAL 134 50.840 2.129 27.952 1.00 0.00 ATOM 1048 N PHE 135 49.777 2.297 28.763 1.00 0.00 ATOM 1049 CA PHE 135 48.459 1.979 28.267 1.00 0.00 ATOM 1050 CB PHE 135 48.090 0.527 28.668 1.00 0.00 ATOM 1051 CG PHE 135 48.007 0.330 30.156 1.00 0.00 ATOM 1052 CD1 PHE 135 46.769 0.351 30.801 1.00 0.00 ATOM 1053 CD2 PHE 135 49.165 0.170 30.919 1.00 0.00 ATOM 1054 CE1 PHE 135 46.673 0.212 32.202 1.00 0.00 ATOM 1055 CE2 PHE 135 49.088 0.029 32.319 1.00 0.00 ATOM 1056 CZ PHE 135 47.831 0.023 32.960 1.00 0.00 ATOM 1057 O PHE 135 46.161 2.742 28.338 1.00 0.00 ATOM 1058 C PHE 135 47.359 2.983 28.621 1.00 0.00 ATOM 1059 N GLY 136 47.731 4.108 29.234 1.00 0.00 ATOM 1060 CA GLY 136 46.689 4.986 29.764 1.00 0.00 ATOM 1061 O GLY 136 48.467 6.502 30.224 1.00 0.00 ATOM 1062 C GLY 136 47.243 6.297 30.217 1.00 0.00 ATOM 1063 N LEU 137 46.347 7.201 30.606 1.00 0.00 ATOM 1064 CA LEU 137 46.761 8.540 30.999 1.00 0.00 ATOM 1065 CB LEU 137 46.595 9.469 29.789 1.00 0.00 ATOM 1066 CG LEU 137 46.791 10.984 29.888 1.00 0.00 ATOM 1067 CD1 LEU 137 48.264 11.360 30.276 1.00 0.00 ATOM 1068 CD2 LEU 137 46.443 11.584 28.533 1.00 0.00 ATOM 1069 O LEU 137 44.608 8.806 32.018 1.00 0.00 ATOM 1070 C LEU 137 45.821 9.036 32.093 1.00 0.00 ATOM 1071 N VAL 138 46.361 9.732 33.088 1.00 0.00 ATOM 1072 CA VAL 138 45.525 10.372 34.110 1.00 0.00 ATOM 1073 CB VAL 138 46.317 10.708 35.400 1.00 0.00 ATOM 1074 CG1 VAL 138 45.460 11.501 36.392 1.00 0.00 ATOM 1075 CG2 VAL 138 46.841 9.408 36.053 1.00 0.00 ATOM 1076 O VAL 138 45.619 12.434 32.842 1.00 0.00 ATOM 1077 C VAL 138 44.917 11.628 33.479 1.00 0.00 ATOM 1078 N ILE 139 43.609 11.795 33.621 1.00 0.00 ATOM 1079 CA ILE 139 42.982 12.955 33.037 1.00 0.00 ATOM 1080 CB ILE 139 41.928 12.507 31.960 1.00 0.00 ATOM 1081 CG1 ILE 139 40.838 11.621 32.570 1.00 0.00 ATOM 1082 CG2 ILE 139 42.615 11.775 30.796 1.00 0.00 ATOM 1083 CD1 ILE 139 39.520 11.598 31.728 1.00 0.00 ATOM 1084 O ILE 139 41.837 14.935 33.796 1.00 0.00 ATOM 1085 C ILE 139 42.358 13.846 34.107 1.00 0.00 ATOM 1086 N SER 140 42.366 13.390 35.367 1.00 0.00 ATOM 1087 CA SER 140 41.884 14.204 36.450 1.00 0.00 ATOM 1088 CB SER 140 40.339 14.132 36.549 1.00 0.00 ATOM 1089 OG SER 140 39.914 15.087 37.492 1.00 0.00 ATOM 1090 O SER 140 42.727 12.413 37.812 1.00 0.00 ATOM 1091 C SER 140 42.474 13.648 37.728 1.00 0.00 ATOM 1092 N GLY 141 42.655 14.533 38.724 1.00 0.00 ATOM 1093 CA GLY 141 43.280 14.176 39.997 1.00 0.00 ATOM 1094 O GLY 141 45.473 13.723 40.849 1.00 0.00 ATOM 1095 C GLY 141 44.768 14.422 40.111 1.00 0.00 ATOM 1096 N PHE 142 45.263 15.424 39.400 1.00 0.00 ATOM 1097 CA PHE 142 46.692 15.746 39.378 1.00 0.00 ATOM 1098 CB PHE 142 46.925 16.836 38.322 1.00 0.00 ATOM 1099 CG PHE 142 46.330 16.466 36.975 1.00 0.00 ATOM 1100 CD1 PHE 142 46.788 15.320 36.298 1.00 0.00 ATOM 1101 CD2 PHE 142 45.287 17.220 36.405 1.00 0.00 ATOM 1102 CE1 PHE 142 46.253 14.960 35.059 1.00 0.00 ATOM 1103 CE2 PHE 142 44.719 16.853 35.177 1.00 0.00 ATOM 1104 CZ PHE 142 45.197 15.728 34.507 1.00 0.00 ATOM 1105 O PHE 142 48.341 15.848 41.152 1.00 0.00 ATOM 1106 C PHE 142 47.192 16.150 40.768 1.00 0.00 ATOM 1107 N GLU 143 46.324 16.836 41.521 1.00 0.00 ATOM 1108 CA GLU 143 46.691 17.280 42.871 1.00 0.00 ATOM 1109 CB GLU 143 45.673 18.288 43.425 1.00 0.00 ATOM 1110 CG GLU 143 44.276 17.700 43.715 1.00 0.00 ATOM 1111 CD GLU 143 43.429 17.336 42.449 1.00 0.00 ATOM 1112 OE1 GLU 143 43.770 17.753 41.276 1.00 0.00 ATOM 1113 OE2 GLU 143 42.406 16.641 42.680 1.00 0.00 ATOM 1114 O GLU 143 47.716 16.102 44.686 1.00 0.00 ATOM 1115 C GLU 143 46.888 16.061 43.806 1.00 0.00 ATOM 1116 N VAL 144 46.124 14.988 43.591 1.00 0.00 ATOM 1117 CA VAL 144 46.259 13.747 44.365 1.00 0.00 ATOM 1118 CB VAL 144 45.186 12.684 43.982 1.00 0.00 ATOM 1119 CG1 VAL 144 45.223 11.521 44.942 1.00 0.00 ATOM 1120 CG2 VAL 144 43.778 13.263 43.962 1.00 0.00 ATOM 1121 O VAL 144 48.300 12.634 45.007 1.00 0.00 ATOM 1122 C VAL 144 47.624 13.114 44.088 1.00 0.00 ATOM 1123 N ILE 145 47.994 13.064 42.806 1.00 0.00 ATOM 1124 CA ILE 145 49.253 12.475 42.398 1.00 0.00 ATOM 1125 CB ILE 145 49.435 12.488 40.839 1.00 0.00 ATOM 1126 CG1 ILE 145 48.302 11.726 40.110 1.00 0.00 ATOM 1127 CG2 ILE 145 50.819 11.960 40.415 1.00 0.00 ATOM 1128 CD1 ILE 145 48.069 10.376 40.604 1.00 0.00 ATOM 1129 O ILE 145 51.282 12.700 43.692 1.00 0.00 ATOM 1130 C ILE 145 50.362 13.285 43.107 1.00 0.00 ATOM 1131 N GLU 146 50.267 14.619 43.027 1.00 0.00 ATOM 1132 CA GLU 146 51.277 15.525 43.619 1.00 0.00 ATOM 1133 CB GLU 146 50.832 17.000 43.518 1.00 0.00 ATOM 1134 CG GLU 146 51.892 18.000 44.132 1.00 0.00 ATOM 1135 CD GLU 146 51.444 19.471 44.185 1.00 0.00 ATOM 1136 OE1 GLU 146 50.258 19.755 44.492 1.00 0.00 ATOM 1137 OE2 GLU 146 52.308 20.350 43.928 1.00 0.00 ATOM 1138 O GLU 146 52.547 15.134 45.621 1.00 0.00 ATOM 1139 C GLU 146 51.438 15.213 45.090 1.00 0.00 ATOM 1140 N GLN 147 50.301 15.109 45.762 1.00 0.00 ATOM 1141 CA GLN 147 50.301 14.864 47.178 1.00 0.00 ATOM 1142 CB GLN 147 48.860 14.919 47.706 1.00 0.00 ATOM 1143 CG GLN 147 48.841 15.211 49.170 1.00 0.00 ATOM 1144 CD GLN 147 47.467 15.402 49.778 1.00 0.00 ATOM 1145 OE1 GLN 147 46.483 15.773 49.109 1.00 0.00 ATOM 1146 NE2 GLN 147 47.408 15.180 51.090 1.00 0.00 ATOM 1147 O GLN 147 51.902 13.490 48.393 1.00 0.00 ATOM 1148 C GLN 147 51.006 13.524 47.531 1.00 0.00 ATOM 1149 N ILE 148 50.630 12.444 46.837 1.00 0.00 ATOM 1150 CA ILE 148 51.237 11.144 47.037 1.00 0.00 ATOM 1151 CB ILE 148 50.598 10.046 46.124 1.00 0.00 ATOM 1152 CG1 ILE 148 49.142 9.783 46.517 1.00 0.00 ATOM 1153 CG2 ILE 148 51.414 8.695 46.234 1.00 0.00 ATOM 1154 CD1 ILE 148 48.335 8.970 45.483 1.00 0.00 ATOM 1155 O ILE 148 53.553 10.679 47.512 1.00 0.00 ATOM 1156 C ILE 148 52.744 11.204 46.747 1.00 0.00 ATOM 1157 N GLU 149 53.105 11.805 45.615 1.00 0.00 ATOM 1158 CA GLU 149 54.509 11.952 45.189 1.00 0.00 ATOM 1159 CB GLU 149 54.525 12.798 43.892 1.00 0.00 ATOM 1160 CG GLU 149 55.829 12.843 43.196 1.00 0.00 ATOM 1161 CD GLU 149 55.886 13.891 42.111 1.00 0.00 ATOM 1162 OE1 GLU 149 54.929 14.679 41.901 1.00 0.00 ATOM 1163 OE2 GLU 149 56.884 13.881 41.388 1.00 0.00 ATOM 1164 O GLU 149 56.654 12.389 46.203 1.00 0.00 ATOM 1165 C GLU 149 55.426 12.640 46.203 1.00 0.00 ATOM 1166 N ASN 150 54.855 13.533 47.026 1.00 0.00 ATOM 1167 CA ASN 150 55.651 14.301 47.999 1.00 0.00 ATOM 1168 CB ASN 150 55.207 15.747 48.030 1.00 0.00 ATOM 1169 CG ASN 150 55.700 16.500 46.813 1.00 0.00 ATOM 1170 ND2 ASN 150 54.901 16.530 45.739 1.00 0.00 ATOM 1171 OD1 ASN 150 56.819 16.995 46.815 1.00 0.00 ATOM 1172 O ASN 150 56.368 14.221 50.302 1.00 0.00 ATOM 1173 C ASN 150 55.716 13.681 49.389 1.00 0.00 ATOM 1174 N LEU 151 55.129 12.495 49.537 1.00 0.00 ATOM 1175 CA LEU 151 55.191 11.817 50.854 1.00 0.00 ATOM 1176 CB LEU 151 54.248 10.610 50.888 1.00 0.00 ATOM 1177 CG LEU 151 52.731 10.859 50.732 1.00 0.00 ATOM 1178 CD1 LEU 151 52.025 9.569 50.483 1.00 0.00 ATOM 1179 CD2 LEU 151 52.141 11.572 51.972 1.00 0.00 ATOM 1180 O LEU 151 57.366 10.986 50.350 1.00 0.00 ATOM 1181 C LEU 151 56.603 11.387 51.217 1.00 0.00 ATOM 1182 N LYS 152 56.944 11.484 52.511 1.00 0.00 ATOM 1183 CA LYS 152 58.185 10.927 53.066 1.00 0.00 ATOM 1184 CB LYS 152 58.235 11.193 54.589 1.00 0.00 ATOM 1185 CG LYS 152 59.568 10.918 55.244 1.00 0.00 ATOM 1186 CD LYS 152 60.501 12.113 55.079 1.00 0.00 ATOM 1187 CE LYS 152 61.957 11.654 54.917 1.00 0.00 ATOM 1188 NZ LYS 152 62.536 11.141 56.173 1.00 0.00 ATOM 1189 O LYS 152 57.309 8.696 53.173 1.00 0.00 ATOM 1190 C LYS 152 58.259 9.426 52.859 1.00 0.00 ATOM 1191 N THR 153 59.394 8.937 52.382 1.00 0.00 ATOM 1192 CA THR 153 59.533 7.508 52.160 1.00 0.00 ATOM 1193 CB THR 153 59.786 7.214 50.717 1.00 0.00 ATOM 1194 CG2 THR 153 58.596 7.660 49.867 1.00 0.00 ATOM 1195 OG1 THR 153 60.949 7.922 50.288 1.00 0.00 ATOM 1196 O THR 153 61.573 7.775 53.315 1.00 0.00 ATOM 1197 C THR 153 60.726 6.986 52.916 1.00 0.00 ATOM 1198 N ASP 154 60.833 5.667 53.076 1.00 0.00 ATOM 1199 CA ASP 154 62.024 5.113 53.690 1.00 0.00 ATOM 1200 CB ASP 154 61.698 3.821 54.460 1.00 0.00 ATOM 1201 CG ASP 154 61.194 2.703 53.542 1.00 0.00 ATOM 1202 OD1 ASP 154 61.358 2.814 52.291 1.00 0.00 ATOM 1203 OD2 ASP 154 60.603 1.733 54.077 1.00 0.00 ATOM 1204 O ASP 154 62.953 5.362 51.488 1.00 0.00 ATOM 1205 C ASP 154 63.097 4.899 52.627 1.00 0.00 ATOM 1206 N ALA 155 64.165 4.178 52.996 1.00 0.00 ATOM 1207 CA ALA 155 65.304 3.929 52.100 1.00 0.00 ATOM 1208 CB ALA 155 66.463 3.258 52.850 1.00 0.00 ATOM 1209 O ALA 155 65.485 3.245 49.815 1.00 0.00 ATOM 1210 C ALA 155 64.883 3.109 50.881 1.00 0.00 ATOM 1211 N ALA 156 63.833 2.281 51.027 1.00 0.00 ATOM 1212 CA ALA 156 63.360 1.482 49.893 1.00 0.00 ATOM 1213 CB ALA 156 62.850 0.096 50.357 1.00 0.00 ATOM 1214 O ALA 156 61.576 1.598 48.257 1.00 0.00 ATOM 1215 C ALA 156 62.287 2.226 49.075 1.00 0.00 ATOM 1216 N SER 157 62.174 3.546 49.298 1.00 0.00 ATOM 1217 CA SER 157 61.151 4.396 48.647 1.00 0.00 ATOM 1218 CB SER 157 61.368 4.418 47.114 1.00 0.00 ATOM 1219 OG SER 157 62.605 5.055 46.781 1.00 0.00 ATOM 1220 O SER 157 58.774 4.188 48.233 1.00 0.00 ATOM 1221 C SER 157 59.713 3.957 48.992 1.00 0.00 ATOM 1222 N ARG 158 59.533 3.304 50.131 1.00 0.00 ATOM 1223 CA ARG 158 58.182 2.968 50.600 1.00 0.00 ATOM 1224 CB ARG 158 58.230 1.629 51.331 1.00 0.00 ATOM 1225 CG ARG 158 56.914 1.177 51.917 1.00 0.00 ATOM 1226 CD ARG 158 57.113 -0.174 52.576 1.00 0.00 ATOM 1227 NE ARG 158 55.939 -0.643 53.311 1.00 0.00 ATOM 1228 CZ ARG 158 55.121 -1.608 52.897 1.00 0.00 ATOM 1229 NH1 ARG 158 55.316 -2.202 51.725 1.00 0.00 ATOM 1230 NH2 ARG 158 54.104 -1.986 53.669 1.00 0.00 ATOM 1231 O ARG 158 58.314 4.443 52.537 1.00 0.00 ATOM 1232 C ARG 158 57.650 4.099 51.537 1.00 0.00 ATOM 1233 N PRO 159 56.473 4.677 51.210 1.00 0.00 ATOM 1234 CA PRO 159 55.916 5.776 52.007 1.00 0.00 ATOM 1235 CB PRO 159 54.526 6.031 51.358 1.00 0.00 ATOM 1236 CG PRO 159 54.600 5.447 50.033 1.00 0.00 ATOM 1237 CD PRO 159 55.566 4.281 50.104 1.00 0.00 ATOM 1238 O PRO 159 55.209 4.139 53.568 1.00 0.00 ATOM 1239 C PRO 159 55.669 5.262 53.416 1.00 0.00 ATOM 1240 N TYR 160 55.963 6.045 54.443 1.00 0.00 ATOM 1241 CA TYR 160 55.527 5.661 55.783 1.00 0.00 ATOM 1242 CB TYR 160 56.244 6.513 56.814 1.00 0.00 ATOM 1243 CG TYR 160 57.746 6.372 56.806 1.00 0.00 ATOM 1244 CD1 TYR 160 58.365 5.264 57.384 1.00 0.00 ATOM 1245 CD2 TYR 160 58.555 7.376 56.263 1.00 0.00 ATOM 1246 CE1 TYR 160 59.769 5.148 57.422 1.00 0.00 ATOM 1247 CE2 TYR 160 59.945 7.276 56.297 1.00 0.00 ATOM 1248 CZ TYR 160 60.548 6.163 56.874 1.00 0.00 ATOM 1249 OH TYR 160 61.923 6.053 56.906 1.00 0.00 ATOM 1250 O TYR 160 53.436 5.013 56.833 1.00 0.00 ATOM 1251 C TYR 160 54.006 5.776 56.038 1.00 0.00 ATOM 1252 N ALA 161 53.351 6.739 55.388 1.00 0.00 ATOM 1253 CA ALA 161 51.937 6.931 55.575 1.00 0.00 ATOM 1254 CB ALA 161 51.523 8.333 55.114 1.00 0.00 ATOM 1255 O ALA 161 51.704 5.169 53.936 1.00 0.00 ATOM 1256 C ALA 161 51.160 5.852 54.821 1.00 0.00 ATOM 1257 N ASP 162 49.898 5.680 55.209 1.00 0.00 ATOM 1258 CA ASP 162 48.995 4.745 54.560 1.00 0.00 ATOM 1259 CB ASP 162 47.862 4.367 55.530 1.00 0.00 ATOM 1260 CG ASP 162 46.848 3.391 54.920 1.00 0.00 ATOM 1261 OD1 ASP 162 47.230 2.286 54.529 1.00 0.00 ATOM 1262 OD2 ASP 162 45.660 3.743 54.824 1.00 0.00 ATOM 1263 O ASP 162 47.620 6.314 53.451 1.00 0.00 ATOM 1264 C ASP 162 48.417 5.410 53.323 1.00 0.00 ATOM 1265 N VAL 163 48.782 4.940 52.129 1.00 0.00 ATOM 1266 CA VAL 163 48.246 5.545 50.886 1.00 0.00 ATOM 1267 CB VAL 163 49.337 5.980 49.871 1.00 0.00 ATOM 1268 CG1 VAL 163 48.714 6.717 48.637 1.00 0.00 ATOM 1269 CG2 VAL 163 50.390 6.862 50.548 1.00 0.00 ATOM 1270 O VAL 163 47.753 3.541 49.610 1.00 0.00 ATOM 1271 C VAL 163 47.319 4.530 50.253 1.00 0.00 ATOM 1272 N ARG 164 46.031 4.762 50.443 1.00 0.00 ATOM 1273 CA ARG 164 45.064 3.693 50.246 1.00 0.00 ATOM 1274 CB ARG 164 44.311 3.507 51.563 1.00 0.00 ATOM 1275 CG ARG 164 43.355 2.318 51.639 1.00 0.00 ATOM 1276 CD ARG 164 44.084 0.976 51.773 1.00 0.00 ATOM 1277 NE ARG 164 45.051 0.886 52.892 1.00 0.00 ATOM 1278 CZ ARG 164 45.528 -0.265 53.373 1.00 0.00 ATOM 1279 NH1 ARG 164 45.086 -1.434 52.880 1.00 0.00 ATOM 1280 NH2 ARG 164 46.398 -0.265 54.381 1.00 0.00 ATOM 1281 O ARG 164 43.496 5.094 49.028 1.00 0.00 ATOM 1282 C ARG 164 44.088 3.990 49.088 1.00 0.00 ATOM 1283 N VAL 165 43.900 3.006 48.204 1.00 0.00 ATOM 1284 CA VAL 165 42.836 3.064 47.191 1.00 0.00 ATOM 1285 CB VAL 165 43.112 2.172 45.957 1.00 0.00 ATOM 1286 CG1 VAL 165 41.987 2.267 44.937 1.00 0.00 ATOM 1287 CG2 VAL 165 44.419 2.599 45.257 1.00 0.00 ATOM 1288 O VAL 165 41.324 1.412 48.088 1.00 0.00 ATOM 1289 C VAL 165 41.575 2.610 47.915 1.00 0.00 ATOM 1290 N ILE 166 40.776 3.576 48.352 1.00 0.00 ATOM 1291 CA ILE 166 39.630 3.234 49.212 1.00 0.00 ATOM 1292 CB ILE 166 39.276 4.426 50.180 1.00 0.00 ATOM 1293 CG1 ILE 166 38.653 3.905 51.471 1.00 0.00 ATOM 1294 CG2 ILE 166 38.461 5.540 49.496 1.00 0.00 ATOM 1295 CD1 ILE 166 39.677 3.199 52.361 1.00 0.00 ATOM 1296 O ILE 166 37.543 2.068 48.869 1.00 0.00 ATOM 1297 C ILE 166 38.451 2.762 48.375 1.00 0.00 ATOM 1298 N ASP 167 38.452 3.154 47.095 1.00 0.00 ATOM 1299 CA ASP 167 37.384 2.732 46.208 1.00 0.00 ATOM 1300 CB ASP 167 36.107 3.581 46.383 1.00 0.00 ATOM 1301 CG ASP 167 34.876 2.924 45.741 1.00 0.00 ATOM 1302 OD1 ASP 167 34.890 1.699 45.496 1.00 0.00 ATOM 1303 OD2 ASP 167 33.922 3.651 45.409 1.00 0.00 ATOM 1304 O ASP 167 38.995 3.497 44.605 1.00 0.00 ATOM 1305 C ASP 167 37.971 2.834 44.817 1.00 0.00 ATOM 1306 N CYS 168 37.379 2.129 43.881 1.00 0.00 ATOM 1307 CA CYS 168 37.811 2.217 42.487 1.00 0.00 ATOM 1308 CB CYS 168 39.110 1.444 42.261 1.00 0.00 ATOM 1309 SG CYS 168 39.122 -0.276 42.883 1.00 0.00 ATOM 1310 O CYS 168 35.807 0.937 42.252 1.00 0.00 ATOM 1311 C CYS 168 36.674 1.602 41.681 1.00 0.00 ATOM 1312 N GLY 169 36.663 1.827 40.373 1.00 0.00 ATOM 1313 CA GLY 169 35.597 1.268 39.575 1.00 0.00 ATOM 1314 O GLY 169 36.537 2.606 37.856 1.00 0.00 ATOM 1315 C GLY 169 35.749 1.696 38.150 1.00 0.00 ATOM 1316 N VAL 170 34.957 1.068 37.277 1.00 0.00 ATOM 1317 CA VAL 170 34.939 1.372 35.839 1.00 0.00 ATOM 1318 CB VAL 170 34.653 0.030 35.097 1.00 0.00 ATOM 1319 CG1 VAL 170 34.293 0.236 33.597 1.00 0.00 ATOM 1320 CG2 VAL 170 35.784 -0.933 35.342 1.00 0.00 ATOM 1321 O VAL 170 32.735 2.211 36.240 1.00 0.00 ATOM 1322 C VAL 170 33.785 2.327 35.587 1.00 0.00 ATOM 1323 N LEU 171 33.987 3.301 34.692 1.00 0.00 ATOM 1324 CA LEU 171 32.952 4.281 34.404 1.00 0.00 ATOM 1325 CB LEU 171 33.592 5.616 34.028 1.00 0.00 ATOM 1326 CG LEU 171 33.960 6.446 35.256 1.00 0.00 ATOM 1327 CD1 LEU 171 35.299 6.109 35.818 1.00 0.00 ATOM 1328 CD2 LEU 171 33.945 7.912 34.850 1.00 0.00 ATOM 1329 O LEU 171 32.594 2.920 32.518 1.00 0.00 ATOM 1330 C LEU 171 32.119 3.776 33.252 1.00 0.00 ATOM 1331 N ALA 172 30.922 4.339 33.065 1.00 0.00 ATOM 1332 CA ALA 172 29.988 3.863 32.027 1.00 0.00 ATOM 1333 CB ALA 172 28.625 4.527 32.178 1.00 0.00 ATOM 1334 O ALA 172 30.673 5.198 30.175 1.00 0.00 ATOM 1335 C ALA 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 ; scwrl3 -i /var/tmp/to_scwrl_687338104.pdb -s /var/tmp/to_scwrl_687338104.seq -o /var/tmp/from_scwrl_687338104.pdb > /var/tmp/scwrl_687338104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_687338104.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 # choosing archetypes in rotamer library # 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 ; scwrl3 -i /var/tmp/to_scwrl_1547238532.pdb -s /var/tmp/to_scwrl_1547238532.seq -o /var/tmp/from_scwrl_1547238532.pdb > /var/tmp/scwrl_1547238532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1547238532.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 ; scwrl3 -i /var/tmp/to_scwrl_2118172651.pdb -s /var/tmp/to_scwrl_2118172651.seq -o /var/tmp/from_scwrl_2118172651.pdb > /var/tmp/scwrl_2118172651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118172651.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 ; scwrl3 -i /var/tmp/to_scwrl_1473126220.pdb -s /var/tmp/to_scwrl_1473126220.seq -o /var/tmp/from_scwrl_1473126220.pdb > /var/tmp/scwrl_1473126220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1473126220.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 ; scwrl3 -i /var/tmp/to_scwrl_1073342486.pdb -s /var/tmp/to_scwrl_1073342486.seq -o /var/tmp/from_scwrl_1073342486.pdb > /var/tmp/scwrl_1073342486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1073342486.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:Warning: Couldn't open file T0346.try1-real.pdb for output Error: Couldn't open file T0346.try1-real.pdb for output superimposing iter= 0 total_weight= 2023.000 rmsd (weighted)= 1.172 (unweighted)= 1.377 superimposing iter= 1 total_weight= 7726.697 rmsd (weighted)= 0.428 (unweighted)= 1.380 superimposing iter= 2 total_weight= 2724.241 rmsd (weighted)= 0.295 (unweighted)= 1.382 superimposing iter= 3 total_weight= 1575.093 rmsd (weighted)= 0.270 (unweighted)= 1.383 superimposing iter= 4 total_weight= 1396.851 rmsd (weighted)= 0.263 (unweighted)= 1.383 superimposing iter= 5 total_weight= 1350.956 rmsd (weighted)= 0.260 (unweighted)= 1.384 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 1 37.021 5.513 24.365 1.00 0.00 ATOM 2 CA SER 1 38.126 5.209 25.316 1.00 0.00 ATOM 3 CB SER 1 39.195 6.325 25.247 1.00 0.00 ATOM 4 OG SER 1 40.211 6.194 26.215 1.00 0.00 ATOM 5 O SER 1 36.985 5.838 27.381 1.00 0.00 ATOM 6 C SER 1 37.571 4.954 26.760 1.00 0.00 ATOM 7 N PRO 2 37.741 3.724 27.282 1.00 0.00 ATOM 8 CA PRO 2 37.273 3.436 28.647 1.00 0.00 ATOM 9 CB PRO 2 37.568 1.953 28.836 1.00 0.00 ATOM 10 CG PRO 2 38.420 1.535 27.683 1.00 0.00 ATOM 11 CD PRO 2 38.350 2.553 26.615 1.00 0.00 ATOM 12 O PRO 2 39.123 4.721 29.530 1.00 0.00 ATOM 13 C PRO 2 37.975 4.259 29.726 1.00 0.00 ATOM 14 N GLN 3 37.263 4.459 30.837 1.00 0.00 ATOM 15 CA GLN 3 37.703 5.284 31.907 1.00 0.00 ATOM 16 CB GLN 3 36.975 6.636 31.896 1.00 0.00 ATOM 17 CG GLN 3 37.448 7.621 30.852 1.00 0.00 ATOM 18 CD GLN 3 36.913 9.061 31.058 1.00 0.00 ATOM 19 OE1 GLN 3 36.621 9.489 32.181 1.00 0.00 ATOM 20 NE2 GLN 3 36.822 9.806 29.978 1.00 0.00 ATOM 21 O GLN 3 36.532 3.617 33.201 1.00 0.00 ATOM 22 C GLN 3 37.406 4.481 33.187 1.00 0.00 ATOM 23 N CYS 4 38.184 4.747 34.232 1.00 0.00 ATOM 24 CA CYS 4 38.067 4.068 35.510 1.00 0.00 ATOM 25 CB CYS 4 38.770 2.697 35.499 1.00 0.00 ATOM 26 SG CYS 4 40.444 2.712 34.912 1.00 0.00 ATOM 27 O CYS 4 39.323 5.978 36.130 1.00 0.00 ATOM 28 C CYS 4 38.681 5.013 36.527 1.00 0.00 ATOM 29 N HIS 5 38.408 4.802 37.816 1.00 0.00 ATOM 30 CA HIS 5 38.869 5.740 38.834 1.00 0.00 ATOM 31 CB HIS 5 37.735 6.698 39.251 1.00 0.00 ATOM 32 CG HIS 5 36.701 6.064 40.119 1.00 0.00 ATOM 33 CD2 HIS 5 35.626 5.288 39.811 1.00 0.00 ATOM 34 ND1 HIS 5 36.715 6.165 41.489 1.00 0.00 ATOM 35 CE1 HIS 5 35.689 5.498 41.990 1.00 0.00 ATOM 36 NE2 HIS 5 35.024 4.942 40.997 1.00 0.00 ATOM 37 O HIS 5 38.956 3.882 40.337 1.00 0.00 ATOM 38 C HIS 5 39.367 5.024 40.060 1.00 0.00 ATOM 39 N PHE 6 40.244 5.723 40.782 1.00 0.00 ATOM 40 CA PHE 6 40.624 5.421 42.185 1.00 0.00 ATOM 41 CB PHE 6 42.145 5.340 42.352 1.00 0.00 ATOM 42 CG PHE 6 42.811 4.162 41.648 1.00 0.00 ATOM 43 CD1 PHE 6 42.057 3.119 41.066 1.00 0.00 ATOM 44 CD2 PHE 6 44.231 4.116 41.551 1.00 0.00 ATOM 45 CE1 PHE 6 42.694 2.024 40.443 1.00 0.00 ATOM 46 CE2 PHE 6 44.866 3.033 40.920 1.00 0.00 ATOM 47 CZ PHE 6 44.113 1.988 40.381 1.00 0.00 ATOM 48 O PHE 6 40.407 7.785 42.654 1.00 0.00 ATOM 49 C PHE 6 40.212 6.619 43.047 1.00 0.00 ATOM 50 N ASP 7 39.689 6.321 44.225 1.00 0.00 ATOM 51 CA ASP 7 39.446 7.303 45.278 1.00 0.00 ATOM 52 CB ASP 7 38.051 7.139 45.877 1.00 0.00 ATOM 53 CG ASP 7 36.961 7.549 44.906 1.00 0.00 ATOM 54 OD1 ASP 7 37.228 8.410 44.058 1.00 0.00 ATOM 55 OD2 ASP 7 35.844 7.023 44.977 1.00 0.00 ATOM 56 O ASP 7 40.626 5.827 46.753 1.00 0.00 ATOM 57 C ASP 7 40.479 6.998 46.341 1.00 0.00 ATOM 58 N ILE 8 41.201 8.042 46.758 1.00 0.00 ATOM 59 CA ILE 8 42.397 7.863 47.562 1.00 0.00 ATOM 60 CB ILE 8 43.594 8.571 46.895 1.00 0.00 ATOM 61 CG1 ILE 8 43.830 8.010 45.468 1.00 0.00 ATOM 62 CG2 ILE 8 44.899 8.535 47.822 1.00 0.00 ATOM 63 CD1 ILE 8 44.203 6.530 45.393 1.00 0.00 ATOM 64 O ILE 8 41.587 9.495 49.143 1.00 0.00 ATOM 65 C ILE 8 42.178 8.415 48.988 1.00 0.00 ATOM 66 N GLU 9 42.661 7.703 50.016 1.00 0.00 ATOM 67 CA GLU 9 42.808 8.335 51.355 1.00 0.00 ATOM 68 CB GLU 9 41.909 7.685 52.430 1.00 0.00 ATOM 69 CG GLU 9 40.430 7.809 52.143 1.00 0.00 ATOM 70 CD GLU 9 39.533 7.203 53.230 1.00 0.00 ATOM 71 OE1 GLU 9 40.033 6.552 54.186 1.00 0.00 ATOM 72 OE2 GLU 9 38.301 7.370 53.104 1.00 0.00 ATOM 73 O GLU 9 44.845 7.131 51.558 1.00 0.00 ATOM 74 C GLU 9 44.246 8.201 51.776 1.00 0.00 ATOM 75 N ILE 10 44.804 9.259 52.390 1.00 0.00 ATOM 76 CA ILE 10 46.137 9.174 52.989 1.00 0.00 ATOM 77 CB ILE 10 47.045 10.303 52.480 1.00 0.00 ATOM 78 CG1 ILE 10 47.366 10.115 50.989 1.00 0.00 ATOM 79 CG2 ILE 10 48.355 10.350 53.268 1.00 0.00 ATOM 80 CD1 ILE 10 48.080 11.406 50.318 1.00 0.00 ATOM 81 O ILE 10 45.346 10.233 54.992 1.00 0.00 ATOM 82 C ILE 10 45.920 9.263 54.514 1.00 0.00 ATOM 83 N ASN 11 46.306 8.225 55.254 1.00 0.00 ATOM 84 CA ASN 11 46.081 8.171 56.703 1.00 0.00 ATOM 85 CB ASN 11 47.018 9.147 57.428 1.00 0.00 ATOM 86 CG ASN 11 48.443 8.618 57.501 1.00 0.00 ATOM 87 ND2 ASN 11 49.340 9.354 58.172 1.00 0.00 ATOM 88 OD1 ASN 11 48.731 7.552 56.966 1.00 0.00 ATOM 89 O ASN 11 44.235 9.220 57.885 1.00 0.00 ATOM 90 C ASN 11 44.598 8.444 56.982 1.00 0.00 ATOM 91 N ARG 12 43.758 7.802 56.158 1.00 0.00 ATOM 92 CA ARG 12 42.314 7.870 56.307 1.00 0.00 ATOM 93 CB ARG 12 41.870 7.444 57.702 1.00 0.00 ATOM 94 CG ARG 12 42.446 6.136 58.135 1.00 0.00 ATOM 95 CD ARG 12 41.780 5.653 59.417 1.00 0.00 ATOM 96 NE ARG 12 42.495 4.498 59.974 1.00 0.00 ATOM 97 CZ ARG 12 41.979 3.275 60.117 1.00 0.00 ATOM 98 NH1 ARG 12 40.709 2.987 59.748 1.00 0.00 ATOM 99 NH2 ARG 12 42.737 2.329 60.668 1.00 0.00 ATOM 100 O ARG 12 40.536 9.456 56.198 1.00 0.00 ATOM 101 C ARG 12 41.722 9.258 55.997 1.00 0.00 ATOM 102 N GLU 13 42.527 10.204 55.521 1.00 0.00 ATOM 103 CA GLU 13 41.963 11.469 55.042 1.00 0.00 ATOM 104 CB GLU 13 42.928 12.634 55.261 1.00 0.00 ATOM 105 CG GLU 13 42.243 14.018 54.917 1.00 0.00 ATOM 106 CD GLU 13 43.210 15.205 54.593 1.00 0.00 ATOM 107 OE1 GLU 13 44.468 15.057 54.734 1.00 0.00 ATOM 108 OE2 GLU 13 42.689 16.298 54.188 1.00 0.00 ATOM 109 O GLU 13 42.569 11.076 52.727 1.00 0.00 ATOM 110 C GLU 13 41.644 11.354 53.533 1.00 0.00 ATOM 111 N PRO 14 40.366 11.567 53.137 1.00 0.00 ATOM 112 CA PRO 14 40.020 11.552 51.724 1.00 0.00 ATOM 113 CB PRO 14 38.494 11.788 51.710 1.00 0.00 ATOM 114 CG PRO 14 38.041 11.680 53.090 1.00 0.00 ATOM 115 CD PRO 14 39.197 11.879 53.989 1.00 0.00 ATOM 116 O PRO 14 40.642 13.861 51.425 1.00 0.00 ATOM 117 C PRO 14 40.753 12.700 51.012 1.00 0.00 ATOM 118 N VAL 15 41.496 12.381 49.956 1.00 0.00 ATOM 119 CA VAL 15 42.289 13.409 49.258 1.00 0.00 ATOM 120 CB VAL 15 43.811 13.128 49.355 1.00 0.00 ATOM 121 CG1 VAL 15 44.347 13.363 50.813 1.00 0.00 ATOM 122 CG2 VAL 15 44.114 11.736 48.855 1.00 0.00 ATOM 123 O VAL 15 42.359 14.602 47.117 1.00 0.00 ATOM 124 C VAL 15 41.894 13.632 47.784 1.00 0.00 ATOM 125 N GLY 16 41.034 12.764 47.273 1.00 0.00 ATOM 126 CA GLY 16 40.468 12.988 45.944 1.00 0.00 ATOM 127 O GLY 16 40.883 10.659 45.509 1.00 0.00 ATOM 128 C GLY 16 40.449 11.739 45.084 1.00 0.00 ATOM 129 N ARG 17 39.959 11.934 43.869 1.00 0.00 ATOM 130 CA ARG 17 39.778 10.913 42.861 1.00 0.00 ATOM 131 CB ARG 17 38.328 11.006 42.362 1.00 0.00 ATOM 132 CG ARG 17 38.012 10.229 41.110 1.00 0.00 ATOM 133 CD ARG 17 36.522 10.181 40.877 1.00 0.00 ATOM 134 NE ARG 17 35.875 9.464 41.985 1.00 0.00 ATOM 135 CZ ARG 17 34.642 8.945 41.937 1.00 0.00 ATOM 136 NH1 ARG 17 33.903 9.055 40.828 1.00 0.00 ATOM 137 NH2 ARG 17 34.143 8.290 42.985 1.00 0.00 ATOM 138 O ARG 17 40.958 12.210 41.144 1.00 0.00 ATOM 139 C ARG 17 40.766 11.092 41.680 1.00 0.00 ATOM 140 N ILE 18 41.411 9.992 41.312 1.00 0.00 ATOM 141 CA ILE 18 42.289 9.938 40.144 1.00 0.00 ATOM 142 CB ILE 18 43.504 9.028 40.393 1.00 0.00 ATOM 143 CG1 ILE 18 44.376 9.659 41.499 1.00 0.00 ATOM 144 CG2 ILE 18 44.309 8.767 39.091 1.00 0.00 ATOM 145 CD1 ILE 18 45.475 8.708 42.081 1.00 0.00 ATOM 146 O ILE 18 40.867 8.226 39.254 1.00 0.00 ATOM 147 C ILE 18 41.430 9.307 39.070 1.00 0.00 ATOM 148 N MET 19 41.292 10.012 37.961 1.00 0.00 ATOM 149 CA MET 19 40.538 9.472 36.851 1.00 0.00 ATOM 150 CB MET 19 39.592 10.576 36.364 1.00 0.00 ATOM 151 CG MET 19 38.788 10.110 35.232 1.00 0.00 ATOM 152 SD MET 19 37.536 9.007 35.901 1.00 0.00 ATOM 153 CE MET 19 36.569 10.175 36.894 1.00 0.00 ATOM 154 O MET 19 42.328 9.843 35.324 1.00 0.00 ATOM 155 C MET 19 41.486 9.049 35.721 1.00 0.00 ATOM 156 N PHE 20 41.325 7.828 35.183 1.00 0.00 ATOM 157 CA PHE 20 42.205 7.334 34.116 1.00 0.00 ATOM 158 CB PHE 20 42.754 5.933 34.447 1.00 0.00 ATOM 159 CG PHE 20 43.516 5.843 35.718 1.00 0.00 ATOM 160 CD1 PHE 20 44.839 6.289 35.784 1.00 0.00 ATOM 161 CD2 PHE 20 42.942 5.233 36.842 1.00 0.00 ATOM 162 CE1 PHE 20 45.594 6.132 36.921 1.00 0.00 ATOM 163 CE2 PHE 20 43.664 5.086 37.990 1.00 0.00 ATOM 164 CZ PHE 20 45.011 5.561 38.062 1.00 0.00 ATOM 165 O PHE 20 40.310 6.713 32.749 1.00 0.00 ATOM 166 C PHE 20 41.465 7.175 32.782 1.00 0.00 ATOM 167 N GLN 21 42.135 7.564 31.695 1.00 0.00 ATOM 168 CA GLN 21 41.692 7.227 30.362 1.00 0.00 ATOM 169 CB GLN 21 41.890 8.414 29.436 1.00 0.00 ATOM 170 CG GLN 21 41.805 8.061 27.960 1.00 0.00 ATOM 171 CD GLN 21 41.847 9.270 27.030 1.00 0.00 ATOM 172 OE1 GLN 21 42.059 10.420 27.459 1.00 0.00 ATOM 173 NE2 GLN 21 41.624 9.018 25.741 1.00 0.00 ATOM 174 O GLN 21 43.805 6.228 29.944 1.00 0.00 ATOM 175 C GLN 21 42.589 6.095 29.901 1.00 0.00 ATOM 176 N LEU 22 41.992 5.012 29.418 1.00 0.00 ATOM 177 CA LEU 22 42.766 3.825 28.960 1.00 0.00 ATOM 178 CB LEU 22 42.153 2.578 29.532 1.00 0.00 ATOM 179 CG LEU 22 42.059 2.450 31.063 1.00 0.00 ATOM 180 CD1 LEU 22 42.008 0.997 31.425 1.00 0.00 ATOM 181 CD2 LEU 22 43.289 3.052 31.705 1.00 0.00 ATOM 182 O LEU 22 41.753 4.094 26.809 1.00 0.00 ATOM 183 C LEU 22 42.746 3.753 27.439 1.00 0.00 ATOM 184 N PHE 23 43.847 3.295 26.861 1.00 0.00 ATOM 185 CA PHE 23 44.004 3.307 25.432 1.00 0.00 ATOM 186 CB PHE 23 45.365 3.894 25.081 1.00 0.00 ATOM 187 CG PHE 23 45.534 5.335 25.479 1.00 0.00 ATOM 188 CD1 PHE 23 44.595 6.306 25.096 1.00 0.00 ATOM 189 CD2 PHE 23 46.623 5.735 26.220 1.00 0.00 ATOM 190 CE1 PHE 23 44.788 7.665 25.408 1.00 0.00 ATOM 191 CE2 PHE 23 46.807 7.112 26.544 1.00 0.00 ATOM 192 CZ PHE 23 45.881 8.061 26.139 1.00 0.00 ATOM 193 O PHE 23 44.892 1.171 24.774 1.00 0.00 ATOM 194 C PHE 23 43.881 1.871 25.005 1.00 0.00 ATOM 195 N SER 24 42.621 1.445 24.913 1.00 0.00 ATOM 196 CA SER 24 42.230 0.043 24.693 1.00 0.00 ATOM 197 CB SER 24 40.861 -0.229 25.325 1.00 0.00 ATOM 198 OG SER 24 39.890 0.652 24.775 1.00 0.00 ATOM 199 O SER 24 42.013 -1.480 22.846 1.00 0.00 ATOM 200 C SER 24 42.210 -0.315 23.213 1.00 0.00 ATOM 201 N ASP 25 42.415 0.690 22.366 1.00 0.00 ATOM 202 CA ASP 25 42.698 0.433 20.956 1.00 0.00 ATOM 203 CB ASP 25 42.643 1.717 20.130 1.00 0.00 ATOM 204 CG ASP 25 43.412 2.898 20.762 1.00 0.00 ATOM 205 OD1 ASP 25 44.177 2.743 21.736 1.00 0.00 ATOM 206 OD2 ASP 25 43.236 4.018 20.271 1.00 0.00 ATOM 207 O ASP 25 44.198 -1.281 20.140 1.00 0.00 ATOM 208 C ASP 25 44.061 -0.233 20.776 1.00 0.00 ATOM 209 N ILE 26 45.067 0.403 21.352 1.00 0.00 ATOM 210 CA ILE 26 46.445 0.037 21.124 1.00 0.00 ATOM 211 CB ILE 26 47.309 1.291 21.325 1.00 0.00 ATOM 212 CG1 ILE 26 48.771 1.066 20.955 1.00 0.00 ATOM 213 CG2 ILE 26 47.192 1.803 22.701 1.00 0.00 ATOM 214 CD1 ILE 26 49.357 2.310 20.272 1.00 0.00 ATOM 215 O ILE 26 47.617 -1.994 21.631 1.00 0.00 ATOM 216 C ILE 26 46.842 -1.132 22.025 1.00 0.00 ATOM 217 N CYS 27 46.306 -1.149 23.245 1.00 0.00 ATOM 218 CA CYS 27 46.652 -2.156 24.249 1.00 0.00 ATOM 219 CB CYS 27 47.444 -1.490 25.381 1.00 0.00 ATOM 220 SG CYS 27 49.169 -1.093 24.895 1.00 0.00 ATOM 221 O CYS 27 45.071 -2.587 25.988 1.00 0.00 ATOM 222 C CYS 27 45.383 -2.783 24.823 1.00 0.00 ATOM 223 N PRO 28 44.647 -3.557 24.012 1.00 0.00 ATOM 224 CA PRO 28 43.382 -4.073 24.544 1.00 0.00 ATOM 225 CB PRO 28 42.717 -4.782 23.345 1.00 0.00 ATOM 226 CG PRO 28 43.828 -4.985 22.325 1.00 0.00 ATOM 227 CD PRO 28 44.926 -4.003 22.638 1.00 0.00 ATOM 228 O PRO 28 42.819 -4.991 26.658 1.00 0.00 ATOM 229 C PRO 28 43.575 -5.045 25.710 1.00 0.00 ATOM 230 N LYS 29 44.552 -5.936 25.639 1.00 0.00 ATOM 231 CA LYS 29 44.715 -6.938 26.693 1.00 0.00 ATOM 232 CB LYS 29 45.747 -8.010 26.252 1.00 0.00 ATOM 233 CG LYS 29 45.818 -9.186 27.236 1.00 0.00 ATOM 234 CD LYS 29 46.800 -10.228 26.793 1.00 0.00 ATOM 235 CE LYS 29 46.608 -11.539 27.522 1.00 0.00 ATOM 236 NZ LYS 29 47.630 -12.504 27.018 1.00 0.00 ATOM 237 O LYS 29 44.615 -6.567 29.088 1.00 0.00 ATOM 238 C LYS 29 45.134 -6.265 28.007 1.00 0.00 ATOM 239 N THR 30 46.065 -5.331 27.911 1.00 0.00 ATOM 240 CA THR 30 46.553 -4.605 29.101 1.00 0.00 ATOM 241 CB THR 30 47.802 -3.758 28.752 1.00 0.00 ATOM 242 CG2 THR 30 48.411 -3.099 30.015 1.00 0.00 ATOM 243 OG1 THR 30 48.803 -4.585 28.114 1.00 0.00 ATOM 244 O THR 30 45.307 -3.788 30.979 1.00 0.00 ATOM 245 C THR 30 45.441 -3.770 29.764 1.00 0.00 ATOM 246 N CYS 31 44.648 -3.052 28.971 1.00 0.00 ATOM 247 CA CYS 31 43.538 -2.240 29.503 1.00 0.00 ATOM 248 CB CYS 31 42.943 -1.373 28.405 1.00 0.00 ATOM 249 SG CYS 31 44.053 -0.072 27.793 1.00 0.00 ATOM 250 O CYS 31 41.848 -2.781 31.071 1.00 0.00 ATOM 251 C CYS 31 42.434 -3.125 30.073 1.00 0.00 ATOM 252 N LYS 32 42.172 -4.285 29.468 1.00 0.00 ATOM 253 CA LYS 32 41.125 -5.161 30.012 1.00 0.00 ATOM 254 CB LYS 32 40.856 -6.349 29.098 1.00 0.00 ATOM 255 CG LYS 32 39.706 -7.242 29.643 1.00 0.00 ATOM 256 CD LYS 32 39.607 -8.528 28.855 1.00 0.00 ATOM 257 CE LYS 32 38.502 -9.451 29.432 1.00 0.00 ATOM 258 NZ LYS 32 38.614 -10.790 28.789 1.00 0.00 ATOM 259 O LYS 32 40.654 -5.628 32.322 1.00 0.00 ATOM 260 C LYS 32 41.487 -5.647 31.415 1.00 0.00 ATOM 261 N ASN 33 42.749 -6.056 31.580 1.00 0.00 ATOM 262 CA ASN 33 43.298 -6.412 32.882 1.00 0.00 ATOM 263 CB ASN 33 44.779 -6.793 32.727 1.00 0.00 ATOM 264 CG ASN 33 45.424 -7.228 34.023 1.00 0.00 ATOM 265 ND2 ASN 33 46.452 -6.494 34.444 1.00 0.00 ATOM 266 OD1 ASN 33 45.003 -8.212 34.648 1.00 0.00 ATOM 267 O ASN 33 42.500 -5.497 34.966 1.00 0.00 ATOM 268 C ASN 33 43.085 -5.268 33.884 1.00 0.00 ATOM 269 N PHE 34 43.490 -4.030 33.519 1.00 0.00 ATOM 270 CA PHE 34 43.445 -2.920 34.488 1.00 0.00 ATOM 271 CB PHE 34 44.141 -1.650 33.938 1.00 0.00 ATOM 272 CG PHE 34 44.362 -0.588 34.975 1.00 0.00 ATOM 273 CD1 PHE 34 45.529 -0.586 35.750 1.00 0.00 ATOM 274 CD2 PHE 34 43.394 0.418 35.196 1.00 0.00 ATOM 275 CE1 PHE 34 45.766 0.421 36.707 1.00 0.00 ATOM 276 CE2 PHE 34 43.631 1.424 36.166 1.00 0.00 ATOM 277 CZ PHE 34 44.837 1.419 36.896 1.00 0.00 ATOM 278 O PHE 34 41.623 -2.455 36.020 1.00 0.00 ATOM 279 C PHE 34 41.991 -2.626 34.827 1.00 0.00 ATOM 280 N LEU 35 41.148 -2.617 33.803 1.00 0.00 ATOM 281 CA LEU 35 39.717 -2.386 34.045 1.00 0.00 ATOM 282 CB LEU 35 38.931 -2.311 32.742 1.00 0.00 ATOM 283 CG LEU 35 39.144 -1.104 31.869 1.00 0.00 ATOM 284 CD1 LEU 35 38.586 -1.398 30.469 1.00 0.00 ATOM 285 CD2 LEU 35 38.423 0.136 32.498 1.00 0.00 ATOM 286 O LEU 35 38.359 -3.044 35.868 1.00 0.00 ATOM 287 C LEU 35 39.087 -3.415 34.969 1.00 0.00 ATOM 288 N CYS 36 39.377 -4.698 34.738 1.00 0.00 ATOM 289 CA CYS 36 38.814 -5.766 35.535 1.00 0.00 ATOM 290 CB CYS 36 39.137 -7.139 34.918 1.00 0.00 ATOM 291 SG CYS 36 38.074 -7.527 33.512 1.00 0.00 ATOM 292 O CYS 36 38.617 -6.038 37.910 1.00 0.00 ATOM 293 C CYS 36 39.329 -5.686 36.972 1.00 0.00 ATOM 294 N LEU 37 40.569 -5.226 37.140 1.00 0.00 ATOM 295 CA LEU 37 41.090 -4.989 38.505 1.00 0.00 ATOM 296 CB LEU 37 42.608 -4.826 38.484 1.00 0.00 ATOM 297 CG LEU 37 43.300 -6.170 38.132 1.00 0.00 ATOM 298 CD1 LEU 37 44.733 -5.903 37.580 1.00 0.00 ATOM 299 CD2 LEU 37 43.348 -7.118 39.314 1.00 0.00 ATOM 300 O LEU 37 40.407 -3.732 40.456 1.00 0.00 ATOM 301 C LEU 37 40.426 -3.824 39.201 1.00 0.00 ATOM 302 N CYS 38 39.850 -2.912 38.410 1.00 0.00 ATOM 303 CA CYS 38 39.109 -1.806 39.042 1.00 0.00 ATOM 304 CB CYS 38 39.006 -0.600 38.099 1.00 0.00 ATOM 305 SG CYS 38 40.534 0.353 37.844 1.00 0.00 ATOM 306 O CYS 38 37.215 -1.835 40.495 1.00 0.00 ATOM 307 C CYS 38 37.704 -2.263 39.451 1.00 0.00 ATOM 308 N SER 39 37.055 -3.127 38.641 1.00 0.00 ATOM 309 CA SER 39 35.707 -3.595 39.008 1.00 0.00 ATOM 310 CB SER 39 34.964 -4.064 37.787 1.00 0.00 ATOM 311 OG SER 39 35.538 -5.285 37.370 1.00 0.00 ATOM 312 O SER 39 34.848 -5.026 40.740 1.00 0.00 ATOM 313 C SER 39 35.788 -4.771 39.975 1.00 0.00 ATOM 314 N GLY 40 36.879 -5.525 39.914 1.00 0.00 ATOM 315 CA GLY 40 37.030 -6.706 40.777 1.00 0.00 ATOM 316 O GLY 40 36.039 -8.882 40.966 1.00 0.00 ATOM 317 C GLY 40 36.178 -7.864 40.283 1.00 0.00 ATOM 318 N GLU 41 35.628 -7.713 39.068 1.00 0.00 ATOM 319 CA GLU 41 34.644 -8.650 38.531 1.00 0.00 ATOM 320 CB GLU 41 34.078 -8.108 37.208 1.00 0.00 ATOM 321 CG GLU 41 35.126 -8.062 36.100 1.00 0.00 ATOM 322 CD GLU 41 34.667 -7.239 34.910 1.00 0.00 ATOM 323 OE1 GLU 41 34.610 -5.985 34.991 1.00 0.00 ATOM 324 OE2 GLU 41 34.384 -7.876 33.872 1.00 0.00 ATOM 325 O GLU 41 34.388 -11.000 38.176 1.00 0.00 ATOM 326 C GLU 41 35.178 -10.075 38.294 1.00 0.00 ATOM 327 N LYS 42 36.493 -10.257 38.207 1.00 0.00 ATOM 328 CA LYS 42 37.050 -11.584 37.880 1.00 0.00 ATOM 329 CB LYS 42 38.340 -11.475 37.048 1.00 0.00 ATOM 330 CG LYS 42 38.123 -10.897 35.651 1.00 0.00 ATOM 331 CD LYS 42 37.004 -11.625 34.922 1.00 0.00 ATOM 332 CE LYS 42 37.080 -11.398 33.401 1.00 0.00 ATOM 333 NZ LYS 42 35.876 -11.870 32.643 1.00 0.00 ATOM 334 O LYS 42 37.652 -13.633 38.921 1.00 0.00 ATOM 335 C LYS 42 37.270 -12.494 39.091 1.00 0.00 ATOM 336 N GLY 43 37.066 -11.986 40.305 1.00 0.00 ATOM 337 CA GLY 43 37.024 -12.863 41.482 1.00 0.00 ATOM 338 O GLY 43 39.224 -12.203 42.076 1.00 0.00 ATOM 339 C GLY 43 38.424 -13.117 42.027 1.00 0.00 ATOM 340 N LEU 44 38.727 -14.359 42.416 1.00 0.00 ATOM 341 CA LEU 44 40.003 -14.675 43.097 1.00 0.00 ATOM 342 CB LEU 44 39.855 -15.898 44.047 1.00 0.00 ATOM 343 CG LEU 44 38.973 -15.642 45.302 1.00 0.00 ATOM 344 CD1 LEU 44 38.938 -16.836 46.208 1.00 0.00 ATOM 345 CD2 LEU 44 39.425 -14.408 46.093 1.00 0.00 ATOM 346 O LEU 44 40.905 -15.616 41.123 1.00 0.00 ATOM 347 C LEU 44 41.123 -14.939 42.128 1.00 0.00 ATOM 348 N GLY 45 42.311 -14.398 42.427 1.00 0.00 ATOM 349 CA GLY 45 43.532 -14.641 41.631 1.00 0.00 ATOM 350 O GLY 45 43.822 -16.817 42.587 1.00 0.00 ATOM 351 C GLY 45 43.882 -16.116 41.568 1.00 0.00 ATOM 352 N LYS 46 44.240 -16.600 40.377 1.00 0.00 ATOM 353 CA LYS 46 44.537 -18.037 40.187 1.00 0.00 ATOM 354 CB LYS 46 44.616 -18.368 38.688 1.00 0.00 ATOM 355 CG LYS 46 43.262 -18.314 38.005 1.00 0.00 ATOM 356 CD LYS 46 43.375 -18.518 36.529 1.00 0.00 ATOM 357 CE LYS 46 41.953 -18.598 35.953 1.00 0.00 ATOM 358 NZ LYS 46 41.986 -18.783 34.506 1.00 0.00 ATOM 359 O LYS 46 45.904 -19.698 41.233 1.00 0.00 ATOM 360 C LYS 46 45.810 -18.527 40.848 1.00 0.00 ATOM 361 N THR 47 46.813 -17.666 40.931 1.00 0.00 ATOM 362 CA THR 47 48.075 -18.081 41.553 1.00 0.00 ATOM 363 CB THR 47 49.346 -17.692 40.728 1.00 0.00 ATOM 364 CG2 THR 47 49.218 -18.206 39.278 1.00 0.00 ATOM 365 OG1 THR 47 49.516 -16.256 40.742 1.00 0.00 ATOM 366 O THR 47 48.909 -18.002 43.735 1.00 0.00 ATOM 367 C THR 47 48.160 -17.502 42.921 1.00 0.00 ATOM 368 N THR 48 47.425 -16.418 43.185 1.00 0.00 ATOM 369 CA THR 48 47.544 -15.798 44.521 1.00 0.00 ATOM 370 CB THR 48 47.712 -14.249 44.497 1.00 0.00 ATOM 371 CG2 THR 48 48.944 -13.826 43.665 1.00 0.00 ATOM 372 OG1 THR 48 46.514 -13.646 43.980 1.00 0.00 ATOM 373 O THR 48 46.633 -16.131 46.688 1.00 0.00 ATOM 374 C THR 48 46.418 -16.159 45.480 1.00 0.00 ATOM 375 N GLY 49 45.233 -16.485 44.961 1.00 0.00 ATOM 376 CA GLY 49 44.062 -16.752 45.826 1.00 0.00 ATOM 377 O GLY 49 42.840 -15.541 47.519 1.00 0.00 ATOM 378 C GLY 49 43.556 -15.479 46.519 1.00 0.00 ATOM 379 N LYS 50 43.953 -14.311 46.020 1.00 0.00 ATOM 380 CA LYS 50 43.451 -13.072 46.577 1.00 0.00 ATOM 381 CB LYS 50 44.610 -12.118 46.927 1.00 0.00 ATOM 382 CG LYS 50 45.695 -12.684 47.842 1.00 0.00 ATOM 383 CD LYS 50 45.270 -12.686 49.299 1.00 0.00 ATOM 384 CE LYS 50 46.481 -12.742 50.247 1.00 0.00 ATOM 385 NZ LYS 50 47.045 -11.375 50.590 1.00 0.00 ATOM 386 O LYS 50 42.767 -12.625 44.302 1.00 0.00 ATOM 387 C LYS 50 42.550 -12.426 45.510 1.00 0.00 ATOM 388 N LYS 51 41.579 -11.638 45.956 1.00 0.00 ATOM 389 CA LYS 51 40.658 -10.945 45.067 1.00 0.00 ATOM 390 CB LYS 51 39.691 -10.040 45.848 1.00 0.00 ATOM 391 CG LYS 51 38.592 -9.468 44.933 1.00 0.00 ATOM 392 CD LYS 51 37.361 -8.932 45.688 1.00 0.00 ATOM 393 CE LYS 51 36.304 -8.377 44.725 1.00 0.00 ATOM 394 NZ LYS 51 35.109 -7.862 45.462 1.00 0.00 ATOM 395 O LYS 51 42.263 -9.302 44.404 1.00 0.00 ATOM 396 C LYS 51 41.413 -10.105 44.039 1.00 0.00 ATOM 397 N LEU 52 41.104 -10.328 42.763 1.00 0.00 ATOM 398 CA LEU 52 41.660 -9.539 41.682 1.00 0.00 ATOM 399 CB LEU 52 41.400 -10.248 40.341 1.00 0.00 ATOM 400 CG LEU 52 42.182 -11.535 40.097 1.00 0.00 ATOM 401 CD1 LEU 52 41.378 -12.390 39.120 1.00 0.00 ATOM 402 CD2 LEU 52 43.610 -11.217 39.513 1.00 0.00 ATOM 403 O LEU 52 40.111 -7.869 40.887 1.00 0.00 ATOM 404 C LEU 52 41.011 -8.158 41.682 1.00 0.00 ATOM 405 N CYS 53 41.444 -7.297 42.579 1.00 0.00 ATOM 406 CA CYS 53 40.790 -5.983 42.694 1.00 0.00 ATOM 407 CB CYS 53 39.516 -6.099 43.560 1.00 0.00 ATOM 408 SG CYS 53 38.515 -4.583 43.527 1.00 0.00 ATOM 409 O CYS 53 42.499 -5.318 44.255 1.00 0.00 ATOM 410 C CYS 53 41.751 -4.971 43.321 1.00 0.00 ATOM 411 N TYR 54 41.730 -3.725 42.838 1.00 0.00 ATOM 412 CA TYR 54 42.563 -2.689 43.462 1.00 0.00 ATOM 413 CB TYR 54 42.845 -1.550 42.465 1.00 0.00 ATOM 414 CG TYR 54 43.754 -1.924 41.296 1.00 0.00 ATOM 415 CD1 TYR 54 44.942 -2.669 41.477 1.00 0.00 ATOM 416 CD2 TYR 54 43.442 -1.504 40.017 1.00 0.00 ATOM 417 CE1 TYR 54 45.775 -2.998 40.361 1.00 0.00 ATOM 418 CE2 TYR 54 44.242 -1.831 38.907 1.00 0.00 ATOM 419 CZ TYR 54 45.435 -2.556 39.077 1.00 0.00 ATOM 420 OH TYR 54 46.233 -2.861 37.946 1.00 0.00 ATOM 421 O TYR 54 42.676 -1.340 45.476 1.00 0.00 ATOM 422 C TYR 54 41.985 -2.087 44.762 1.00 0.00 ATOM 423 N LYS 55 40.720 -2.350 45.050 1.00 0.00 ATOM 424 CA LYS 55 40.094 -1.685 46.188 1.00 0.00 ATOM 425 CB LYS 55 38.580 -1.976 46.261 1.00 0.00 ATOM 426 CG LYS 55 37.869 -1.229 47.406 1.00 0.00 ATOM 427 CD LYS 55 36.358 -1.393 47.286 1.00 0.00 ATOM 428 CE LYS 55 35.568 -0.841 48.474 1.00 0.00 ATOM 429 NZ LYS 55 34.074 -0.786 48.126 1.00 0.00 ATOM 430 O LYS 55 40.842 -3.423 47.649 1.00 0.00 ATOM 431 C LYS 55 40.774 -2.200 47.450 1.00 0.00 ATOM 432 N GLY 56 41.261 -1.286 48.299 1.00 0.00 ATOM 433 CA GLY 56 41.956 -1.680 49.527 1.00 0.00 ATOM 434 O GLY 56 44.215 -2.099 50.329 1.00 0.00 ATOM 435 C GLY 56 43.466 -1.886 49.339 1.00 0.00 ATOM 436 N SER 57 43.928 -1.789 48.087 1.00 0.00 ATOM 437 CA SER 57 45.352 -1.813 47.776 1.00 0.00 ATOM 438 CB SER 57 45.575 -2.284 46.308 1.00 0.00 ATOM 439 OG SER 57 45.335 -1.252 45.335 1.00 0.00 ATOM 440 O SER 57 45.343 0.576 48.379 1.00 0.00 ATOM 441 C SER 57 46.025 -0.419 48.094 1.00 0.00 ATOM 442 N THR 58 47.360 -0.371 48.089 1.00 0.00 ATOM 443 CA THR 58 48.109 0.826 48.477 1.00 0.00 ATOM 444 CB THR 58 48.996 0.525 49.706 1.00 0.00 ATOM 445 CG2 THR 58 48.157 0.042 50.928 1.00 0.00 ATOM 446 OG1 THR 58 49.883 -0.531 49.381 1.00 0.00 ATOM 447 O THR 58 49.197 0.600 46.343 1.00 0.00 ATOM 448 C THR 58 49.022 1.296 47.345 1.00 0.00 ATOM 449 N PHE 59 49.630 2.468 47.514 1.00 0.00 ATOM 450 CA PHE 59 50.771 2.843 46.715 1.00 0.00 ATOM 451 CB PHE 59 50.734 4.329 46.334 1.00 0.00 ATOM 452 CG PHE 59 49.836 4.602 45.174 1.00 0.00 ATOM 453 CD1 PHE 59 50.377 4.765 43.904 1.00 0.00 ATOM 454 CD2 PHE 59 48.434 4.582 45.328 1.00 0.00 ATOM 455 CE1 PHE 59 49.549 4.962 42.803 1.00 0.00 ATOM 456 CE2 PHE 59 47.591 4.782 44.228 1.00 0.00 ATOM 457 CZ PHE 59 48.156 4.992 42.963 1.00 0.00 ATOM 458 O PHE 59 52.162 3.208 48.579 1.00 0.00 ATOM 459 C PHE 59 51.971 2.557 47.562 1.00 0.00 ATOM 460 N HIS 60 52.815 1.619 47.130 1.00 0.00 ATOM 461 CA HIS 60 53.854 1.088 48.023 1.00 0.00 ATOM 462 CB HIS 60 53.829 -0.433 47.976 1.00 0.00 ATOM 463 CG HIS 60 54.224 -0.977 46.640 1.00 0.00 ATOM 464 CD2 HIS 60 55.446 -1.281 46.135 1.00 0.00 ATOM 465 ND1 HIS 60 53.310 -1.234 45.637 1.00 0.00 ATOM 466 CE1 HIS 60 53.954 -1.716 44.587 1.00 0.00 ATOM 467 NE2 HIS 60 55.254 -1.718 44.850 1.00 0.00 ATOM 468 O HIS 60 56.194 1.295 48.312 1.00 0.00 ATOM 469 C HIS 60 55.232 1.572 47.620 1.00 0.00 ATOM 470 N ARG 61 55.330 2.298 46.509 1.00 0.00 ATOM 471 CA ARG 61 56.627 2.858 46.072 1.00 0.00 ATOM 472 CB ARG 61 57.368 1.923 45.074 1.00 0.00 ATOM 473 CG ARG 61 58.823 2.367 44.665 1.00 0.00 ATOM 474 CD ARG 61 59.476 1.317 43.701 1.00 0.00 ATOM 475 NE ARG 61 60.773 1.804 43.206 1.00 0.00 ATOM 476 CZ ARG 61 61.936 1.626 43.848 1.00 0.00 ATOM 477 NH1 ARG 61 61.984 0.917 44.988 1.00 0.00 ATOM 478 NH2 ARG 61 63.067 2.118 43.342 1.00 0.00 ATOM 479 O ARG 61 55.569 4.453 44.607 1.00 0.00 ATOM 480 C ARG 61 56.416 4.248 45.493 1.00 0.00 ATOM 481 N VAL 62 57.182 5.200 46.020 1.00 0.00 ATOM 482 CA VAL 62 57.024 6.605 45.662 1.00 0.00 ATOM 483 CB VAL 62 56.319 7.415 46.785 1.00 0.00 ATOM 484 CG1 VAL 62 56.544 8.918 46.584 1.00 0.00 ATOM 485 CG2 VAL 62 54.822 7.057 46.846 1.00 0.00 ATOM 486 O VAL 62 59.289 7.051 46.256 1.00 0.00 ATOM 487 C VAL 62 58.398 7.176 45.406 1.00 0.00 ATOM 488 N VAL 63 58.587 7.755 44.220 1.00 0.00 ATOM 489 CA VAL 63 59.864 8.470 43.926 1.00 0.00 ATOM 490 CB VAL 63 60.753 7.691 42.920 1.00 0.00 ATOM 491 CG1 VAL 63 62.108 8.400 42.714 1.00 0.00 ATOM 492 CG2 VAL 63 60.988 6.238 43.410 1.00 0.00 ATOM 493 O VAL 63 59.100 10.060 42.311 1.00 0.00 ATOM 494 C VAL 63 59.585 9.891 43.425 1.00 0.00 ATOM 495 N LYS 64 59.891 10.892 44.247 1.00 0.00 ATOM 496 CA LYS 64 59.536 12.255 43.907 1.00 0.00 ATOM 497 CB LYS 64 59.937 13.227 45.042 1.00 0.00 ATOM 498 CG LYS 64 59.692 14.702 44.743 1.00 0.00 ATOM 499 CD LYS 64 59.761 15.529 46.016 1.00 0.00 ATOM 500 CE LYS 64 60.209 16.987 45.791 1.00 0.00 ATOM 501 NZ LYS 64 60.598 17.658 47.101 1.00 0.00 ATOM 502 O LYS 64 61.387 12.402 42.369 1.00 0.00 ATOM 503 C LYS 64 60.180 12.661 42.590 1.00 0.00 ATOM 504 N ASN 65 59.377 13.251 41.707 1.00 0.00 ATOM 505 CA ASN 65 59.854 13.705 40.384 1.00 0.00 ATOM 506 CB ASN 65 61.114 14.570 40.524 1.00 0.00 ATOM 507 CG ASN 65 60.846 15.876 41.252 1.00 0.00 ATOM 508 ND2 ASN 65 61.859 16.373 41.970 1.00 0.00 ATOM 509 OD1 ASN 65 59.751 16.454 41.151 1.00 0.00 ATOM 510 O ASN 65 60.786 12.711 38.387 1.00 0.00 ATOM 511 C ASN 65 60.122 12.557 39.424 1.00 0.00 ATOM 512 N PHE 66 59.612 11.388 39.768 1.00 0.00 ATOM 513 CA PHE 66 59.727 10.262 38.854 1.00 0.00 ATOM 514 CB PHE 66 60.830 9.307 39.352 1.00 0.00 ATOM 515 CG PHE 66 61.039 8.109 38.487 1.00 0.00 ATOM 516 CD1 PHE 66 60.915 8.187 37.096 1.00 0.00 ATOM 517 CD2 PHE 66 61.425 6.892 39.047 1.00 0.00 ATOM 518 CE1 PHE 66 61.143 7.070 36.293 1.00 0.00 ATOM 519 CE2 PHE 66 61.623 5.768 38.255 1.00 0.00 ATOM 520 CZ PHE 66 61.503 5.862 36.869 1.00 0.00 ATOM 521 O PHE 66 57.795 9.568 37.534 1.00 0.00 ATOM 522 C PHE 66 58.377 9.561 38.659 1.00 0.00 ATOM 523 N MET 67 57.877 8.925 39.718 1.00 0.00 ATOM 524 CA MET 67 56.686 8.118 39.535 1.00 0.00 ATOM 525 CB MET 67 57.006 6.867 38.705 1.00 0.00 ATOM 526 CG MET 67 57.983 5.851 39.380 1.00 0.00 ATOM 527 SD MET 67 57.128 4.582 40.366 1.00 0.00 ATOM 528 CE MET 67 58.502 4.149 41.436 1.00 0.00 ATOM 529 O MET 67 56.839 7.716 41.912 1.00 0.00 ATOM 530 C MET 67 56.122 7.702 40.879 1.00 0.00 ATOM 531 N ILE 68 54.844 7.332 40.867 1.00 0.00 ATOM 532 CA ILE 68 54.246 6.589 41.993 1.00 0.00 ATOM 533 CB ILE 68 53.118 7.419 42.709 1.00 0.00 ATOM 534 CG1 ILE 68 51.891 7.612 41.792 1.00 0.00 ATOM 535 CG2 ILE 68 53.743 8.692 43.300 1.00 0.00 ATOM 536 CD1 ILE 68 50.690 8.359 42.488 1.00 0.00 ATOM 537 O ILE 68 53.206 5.051 40.440 1.00 0.00 ATOM 538 C ILE 68 53.724 5.197 41.549 1.00 0.00 ATOM 539 N GLN 69 53.826 4.195 42.427 1.00 0.00 ATOM 540 CA GLN 69 53.585 2.802 42.026 1.00 0.00 ATOM 541 CB GLN 69 54.894 2.000 41.936 1.00 0.00 ATOM 542 CG GLN 69 54.701 0.464 41.676 1.00 0.00 ATOM 543 CD GLN 69 55.991 -0.226 41.205 1.00 0.00 ATOM 544 OE1 GLN 69 56.924 0.442 40.778 1.00 0.00 ATOM 545 NE2 GLN 69 56.052 -1.563 41.308 1.00 0.00 ATOM 546 O GLN 69 52.807 2.244 44.169 1.00 0.00 ATOM 547 C GLN 69 52.656 2.105 42.964 1.00 0.00 ATOM 548 N GLY 70 51.691 1.353 42.439 1.00 0.00 ATOM 549 CA GLY 70 50.794 0.599 43.315 1.00 0.00 ATOM 550 O GLY 70 51.109 -1.228 41.750 1.00 0.00 ATOM 551 C GLY 70 50.390 -0.720 42.649 1.00 0.00 ATOM 552 N GLY 71 49.240 -1.252 43.076 1.00 0.00 ATOM 553 CA GLY 71 48.632 -2.446 42.464 1.00 0.00 ATOM 554 O GLY 71 48.621 -4.829 42.457 1.00 0.00 ATOM 555 C GLY 71 49.063 -3.813 42.979 1.00 0.00 ATOM 556 N ASP 72 49.857 -3.840 44.048 1.00 0.00 ATOM 557 CA ASP 72 50.291 -5.107 44.607 1.00 0.00 ATOM 558 CB ASP 72 51.706 -5.012 45.209 1.00 0.00 ATOM 559 CG ASP 72 52.139 -6.322 45.838 1.00 0.00 ATOM 560 OD1 ASP 72 51.287 -7.208 45.965 1.00 0.00 ATOM 561 OD2 ASP 72 53.319 -6.467 46.205 1.00 0.00 ATOM 562 O ASP 72 49.410 -5.214 46.840 1.00 0.00 ATOM 563 C ASP 72 49.267 -5.496 45.654 1.00 0.00 ATOM 564 N PHE 73 48.200 -6.135 45.198 1.00 0.00 ATOM 565 CA PHE 73 47.068 -6.396 46.082 1.00 0.00 ATOM 566 CB PHE 73 45.757 -6.569 45.266 1.00 0.00 ATOM 567 CG PHE 73 45.790 -7.722 44.304 1.00 0.00 ATOM 568 CD1 PHE 73 45.670 -9.054 44.764 1.00 0.00 ATOM 569 CD2 PHE 73 45.872 -7.487 42.940 1.00 0.00 ATOM 570 CE1 PHE 73 45.673 -10.131 43.870 1.00 0.00 ATOM 571 CE2 PHE 73 45.870 -8.555 42.033 1.00 0.00 ATOM 572 CZ PHE 73 45.773 -9.883 42.490 1.00 0.00 ATOM 573 O PHE 73 46.547 -7.788 47.940 1.00 0.00 ATOM 574 C PHE 73 47.299 -7.598 46.982 1.00 0.00 ATOM 575 N SER 74 48.319 -8.411 46.687 1.00 0.00 ATOM 576 CA SER 74 48.514 -9.649 47.450 1.00 0.00 ATOM 577 CB SER 74 48.791 -10.865 46.566 1.00 0.00 ATOM 578 OG SER 74 50.036 -10.770 45.895 1.00 0.00 ATOM 579 O SER 74 49.483 -10.182 49.545 1.00 0.00 ATOM 580 C SER 74 49.574 -9.514 48.509 1.00 0.00 ATOM 581 N GLU 75 50.547 -8.630 48.276 1.00 0.00 ATOM 582 CA GLU 75 51.637 -8.456 49.227 1.00 0.00 ATOM 583 CB GLU 75 52.948 -8.987 48.655 1.00 0.00 ATOM 584 CG GLU 75 52.862 -10.355 48.014 1.00 0.00 ATOM 585 CD GLU 75 53.429 -11.419 48.833 1.00 0.00 ATOM 586 OE1 GLU 75 53.170 -11.418 50.056 1.00 0.00 ATOM 587 OE2 GLU 75 54.129 -12.268 48.238 1.00 0.00 ATOM 588 O GLU 75 52.517 -6.775 50.686 1.00 0.00 ATOM 589 C GLU 75 51.857 -7.015 49.662 1.00 0.00 ATOM 590 N GLY 76 51.340 -6.053 48.905 1.00 0.00 ATOM 591 CA GLY 76 51.519 -4.633 49.287 1.00 0.00 ATOM 592 O GLY 76 53.247 -3.140 50.035 1.00 0.00 ATOM 593 C GLY 76 52.970 -4.156 49.382 1.00 0.00 ATOM 594 N ASN 77 53.907 -4.816 48.691 1.00 0.00 ATOM 595 CA ASN 77 55.326 -4.425 48.847 1.00 0.00 ATOM 596 CB ASN 77 56.021 -5.200 49.981 1.00 0.00 ATOM 597 CG ASN 77 55.993 -6.689 49.766 1.00 0.00 ATOM 598 ND2 ASN 77 56.297 -7.453 50.815 1.00 0.00 ATOM 599 OD1 ASN 77 55.698 -7.155 48.666 1.00 0.00 ATOM 600 O ASN 77 57.335 -4.282 47.566 1.00 0.00 ATOM 601 C ASN 77 56.131 -4.527 47.569 1.00 0.00 ATOM 602 N GLY 78 55.465 -4.850 46.467 1.00 0.00 ATOM 603 CA GLY 78 56.170 -4.937 45.214 1.00 0.00 ATOM 604 O GLY 78 56.773 -6.612 43.621 1.00 0.00 ATOM 605 C GLY 78 56.432 -6.365 44.786 1.00 0.00 ATOM 606 N LYS 79 56.282 -7.318 45.707 1.00 0.00 ATOM 607 CA LYS 79 56.562 -8.713 45.347 1.00 0.00 ATOM 608 CB LYS 79 57.109 -9.519 46.542 1.00 0.00 ATOM 609 CG LYS 79 58.413 -9.000 47.090 1.00 0.00 ATOM 610 CD LYS 79 58.932 -9.860 48.215 1.00 0.00 ATOM 611 CE LYS 79 60.182 -9.244 48.827 1.00 0.00 ATOM 612 NZ LYS 79 61.256 -9.044 47.792 1.00 0.00 ATOM 613 O LYS 79 55.465 -10.468 44.145 1.00 0.00 ATOM 614 C LYS 79 55.329 -9.418 44.776 1.00 0.00 ATOM 615 N GLY 80 54.134 -8.869 45.016 1.00 0.00 ATOM 616 CA GLY 80 52.909 -9.569 44.665 1.00 0.00 ATOM 617 O GLY 80 52.648 -8.414 42.518 1.00 0.00 ATOM 618 C GLY 80 52.115 -9.075 43.466 1.00 0.00 ATOM 619 N GLY 81 50.831 -9.435 43.512 1.00 0.00 ATOM 620 CA GLY 81 49.873 -9.152 42.465 1.00 0.00 ATOM 621 O GLY 81 50.980 -10.842 41.169 1.00 0.00 ATOM 622 C GLY 81 49.971 -10.158 41.331 1.00 0.00 ATOM 623 N GLU 82 48.922 -10.226 40.522 1.00 0.00 ATOM 624 CA GLU 82 48.961 -10.989 39.261 1.00 0.00 ATOM 625 CB GLU 82 48.709 -12.483 39.541 1.00 0.00 ATOM 626 CG GLU 82 47.272 -12.771 40.037 1.00 0.00 ATOM 627 CD GLU 82 47.059 -14.247 40.313 1.00 0.00 ATOM 628 OE1 GLU 82 47.419 -15.087 39.441 1.00 0.00 ATOM 629 OE2 GLU 82 46.541 -14.559 41.396 1.00 0.00 ATOM 630 O GLU 82 46.959 -9.699 38.870 1.00 0.00 ATOM 631 C GLU 82 47.833 -10.464 38.392 1.00 0.00 ATOM 632 N SER 83 47.860 -10.845 37.121 1.00 0.00 ATOM 633 CA SER 83 46.823 -10.454 36.172 1.00 0.00 ATOM 634 CB SER 83 47.395 -10.485 34.763 1.00 0.00 ATOM 635 OG SER 83 47.360 -11.818 34.277 1.00 0.00 ATOM 636 O SER 83 45.550 -12.457 36.805 1.00 0.00 ATOM 637 C SER 83 45.563 -11.356 36.226 1.00 0.00 ATOM 638 N ILE 84 44.508 -10.899 35.567 1.00 0.00 ATOM 639 CA ILE 84 43.267 -11.669 35.435 1.00 0.00 ATOM 640 CB ILE 84 42.121 -10.791 34.841 1.00 0.00 ATOM 641 CG1 ILE 84 42.430 -10.333 33.417 1.00 0.00 ATOM 642 CG2 ILE 84 41.852 -9.596 35.746 1.00 0.00 ATOM 643 CD1 ILE 84 41.222 -9.788 32.701 1.00 0.00 ATOM 644 O ILE 84 42.648 -13.838 34.610 1.00 0.00 ATOM 645 C ILE 84 43.476 -12.927 34.582 1.00 0.00 ATOM 646 N TYR 85 44.599 -13.007 33.868 1.00 0.00 ATOM 647 CA TYR 85 44.839 -14.160 33.006 1.00 0.00 ATOM 648 CB TYR 85 45.691 -13.763 31.787 1.00 0.00 ATOM 649 CG TYR 85 45.116 -12.505 31.149 1.00 0.00 ATOM 650 CD1 TYR 85 43.877 -12.538 30.511 1.00 0.00 ATOM 651 CD2 TYR 85 45.795 -11.284 31.215 1.00 0.00 ATOM 652 CE1 TYR 85 43.325 -11.394 29.958 1.00 0.00 ATOM 653 CE2 TYR 85 45.231 -10.108 30.665 1.00 0.00 ATOM 654 CZ TYR 85 44.007 -10.177 30.038 1.00 0.00 ATOM 655 OH TYR 85 43.455 -9.041 29.492 1.00 0.00 ATOM 656 O TYR 85 45.483 -16.421 33.234 1.00 0.00 ATOM 657 C TYR 85 45.435 -15.338 33.765 1.00 0.00 ATOM 658 N GLY 86 45.853 -15.108 35.014 1.00 0.00 ATOM 659 CA GLY 86 46.564 -16.100 35.831 1.00 0.00 ATOM 660 O GLY 86 48.698 -16.131 34.741 1.00 0.00 ATOM 661 C GLY 86 48.074 -15.909 35.785 1.00 0.00 ATOM 662 N GLY 87 48.672 -15.489 36.895 1.00 0.00 ATOM 663 CA GLY 87 50.076 -15.059 36.865 1.00 0.00 ATOM 664 O GLY 87 49.420 -12.946 35.902 1.00 0.00 ATOM 665 C GLY 87 50.249 -13.888 35.907 1.00 0.00 ATOM 666 N TYR 88 51.332 -13.938 35.120 1.00 0.00 ATOM 667 CA TYR 88 51.846 -12.791 34.384 1.00 0.00 ATOM 668 CB TYR 88 53.393 -12.719 34.465 1.00 0.00 ATOM 669 CG TYR 88 53.982 -12.470 35.839 1.00 0.00 ATOM 670 CD1 TYR 88 53.264 -11.760 36.801 1.00 0.00 ATOM 671 CD2 TYR 88 55.262 -12.941 36.183 1.00 0.00 ATOM 672 CE1 TYR 88 53.786 -11.529 38.073 1.00 0.00 ATOM 673 CE2 TYR 88 55.795 -12.719 37.463 1.00 0.00 ATOM 674 CZ TYR 88 55.051 -11.989 38.396 1.00 0.00 ATOM 675 OH TYR 88 55.516 -11.717 39.667 1.00 0.00 ATOM 676 O TYR 88 51.135 -13.954 32.463 1.00 0.00 ATOM 677 C TYR 88 51.431 -12.897 32.917 1.00 0.00 ATOM 678 N PHE 89 51.375 -11.789 32.194 1.00 0.00 ATOM 679 CA PHE 89 51.134 -11.843 30.755 1.00 0.00 ATOM 680 CB PHE 89 49.691 -11.413 30.413 1.00 0.00 ATOM 681 CG PHE 89 49.355 -9.968 30.768 1.00 0.00 ATOM 682 CD1 PHE 89 49.264 -9.005 29.775 1.00 0.00 ATOM 683 CD2 PHE 89 49.091 -9.594 32.080 1.00 0.00 ATOM 684 CE1 PHE 89 48.925 -7.658 30.059 1.00 0.00 ATOM 685 CE2 PHE 89 48.775 -8.255 32.396 1.00 0.00 ATOM 686 CZ PHE 89 48.699 -7.283 31.365 1.00 0.00 ATOM 687 O PHE 89 52.908 -10.209 30.556 1.00 0.00 ATOM 688 C PHE 89 52.201 -11.042 29.979 1.00 0.00 ATOM 689 N LYS 90 52.327 -11.323 28.680 1.00 0.00 ATOM 690 CA LYS 90 53.382 -10.736 27.855 1.00 0.00 ATOM 691 CB LYS 90 53.370 -11.375 26.474 1.00 0.00 ATOM 692 CG LYS 90 53.691 -12.857 26.430 1.00 0.00 ATOM 693 CD LYS 90 53.897 -13.305 24.971 1.00 0.00 ATOM 694 CE LYS 90 54.428 -14.742 24.876 1.00 0.00 ATOM 695 NZ LYS 90 55.853 -14.919 25.318 1.00 0.00 ATOM 696 O LYS 90 52.134 -8.640 27.812 1.00 0.00 ATOM 697 C LYS 90 53.241 -9.206 27.683 1.00 0.00 ATOM 698 N ASP 91 54.376 -8.564 27.390 1.00 0.00 ATOM 699 CA ASP 91 54.432 -7.150 27.010 1.00 0.00 ATOM 700 CB ASP 91 55.890 -6.710 26.814 1.00 0.00 ATOM 701 CG ASP 91 56.683 -6.717 28.120 1.00 0.00 ATOM 702 OD1 ASP 91 56.127 -6.245 29.146 1.00 0.00 ATOM 703 OD2 ASP 91 57.851 -7.192 28.133 1.00 0.00 ATOM 704 O ASP 91 53.981 -7.646 24.661 1.00 0.00 ATOM 705 C ASP 91 53.625 -7.037 25.706 1.00 0.00 ATOM 706 N GLU 92 52.492 -6.349 25.788 1.00 0.00 ATOM 707 CA GLU 92 51.570 -6.326 24.629 1.00 0.00 ATOM 708 CB GLU 92 50.240 -5.681 25.036 1.00 0.00 ATOM 709 CG GLU 92 49.135 -5.846 23.984 1.00 0.00 ATOM 710 CD GLU 92 47.754 -5.508 24.535 1.00 0.00 ATOM 711 OE1 GLU 92 47.652 -4.913 25.646 1.00 0.00 ATOM 712 OE2 GLU 92 46.782 -5.853 23.849 1.00 0.00 ATOM 713 O GLU 92 52.206 -6.105 22.294 1.00 0.00 ATOM 714 C GLU 92 52.212 -5.607 23.422 1.00 0.00 ATOM 715 N ASN 93 52.776 -4.431 23.666 1.00 0.00 ATOM 716 CA ASN 93 53.555 -3.724 22.635 1.00 0.00 ATOM 717 CB ASN 93 52.672 -3.287 21.443 1.00 0.00 ATOM 718 CG ASN 93 51.620 -2.268 21.849 1.00 0.00 ATOM 719 ND2 ASN 93 50.346 -2.641 21.748 1.00 0.00 ATOM 720 OD1 ASN 93 51.953 -1.163 22.271 1.00 0.00 ATOM 721 O ASN 93 53.785 -2.196 24.441 1.00 0.00 ATOM 722 C ASN 93 54.169 -2.524 23.316 1.00 0.00 ATOM 723 N PHE 94 55.127 -1.880 22.663 1.00 0.00 ATOM 724 CA PHE 94 55.702 -0.678 23.253 1.00 0.00 ATOM 725 CB PHE 94 57.193 -0.878 23.517 1.00 0.00 ATOM 726 CG PHE 94 57.485 -1.980 24.487 1.00 0.00 ATOM 727 CD1 PHE 94 57.265 -1.801 25.855 1.00 0.00 ATOM 728 CD2 PHE 94 58.011 -3.208 24.034 1.00 0.00 ATOM 729 CE1 PHE 94 57.548 -2.838 26.746 1.00 0.00 ATOM 730 CE2 PHE 94 58.297 -4.237 24.916 1.00 0.00 ATOM 731 CZ PHE 94 58.070 -4.049 26.276 1.00 0.00 ATOM 732 O PHE 94 56.364 1.385 22.218 1.00 0.00 ATOM 733 C PHE 94 55.478 0.528 22.366 1.00 0.00 ATOM 734 N ILE 95 54.293 0.600 21.765 1.00 0.00 ATOM 735 CA ILE 95 53.994 1.721 20.868 1.00 0.00 ATOM 736 CB ILE 95 52.717 1.461 20.081 1.00 0.00 ATOM 737 CG1 ILE 95 52.877 0.151 19.284 1.00 0.00 ATOM 738 CG2 ILE 95 52.448 2.628 19.135 1.00 0.00 ATOM 739 CD1 ILE 95 51.567 -0.372 18.753 1.00 0.00 ATOM 740 O ILE 95 54.582 4.067 21.063 1.00 0.00 ATOM 741 C ILE 95 53.960 3.094 21.566 1.00 0.00 ATOM 742 N LEU 96 53.267 3.177 22.713 1.00 0.00 ATOM 743 CA LEU 96 53.181 4.426 23.450 1.00 0.00 ATOM 744 CB LEU 96 51.989 4.430 24.393 1.00 0.00 ATOM 745 CG LEU 96 50.607 4.506 23.734 1.00 0.00 ATOM 746 CD1 LEU 96 49.422 4.262 24.751 1.00 0.00 ATOM 747 CD2 LEU 96 50.440 5.816 23.028 1.00 0.00 ATOM 748 O LEU 96 55.032 3.717 24.745 1.00 0.00 ATOM 749 C LEU 96 54.453 4.667 24.227 1.00 0.00 ATOM 750 N LYS 97 54.913 5.927 24.266 1.00 0.00 ATOM 751 CA LYS 97 56.182 6.277 24.910 1.00 0.00 ATOM 752 CB LYS 97 56.990 7.248 24.037 1.00 0.00 ATOM 753 CG LYS 97 57.147 6.795 22.585 1.00 0.00 ATOM 754 CD LYS 97 57.765 5.401 22.409 1.00 0.00 ATOM 755 CE LYS 97 57.723 5.052 20.886 1.00 0.00 ATOM 756 NZ LYS 97 57.717 3.578 20.776 1.00 0.00 ATOM 757 O LYS 97 54.797 7.502 26.460 1.00 0.00 ATOM 758 C LYS 97 55.902 6.978 26.241 1.00 0.00 ATOM 759 N HIS 98 56.906 7.032 27.113 1.00 0.00 ATOM 760 CA HIS 98 56.779 7.773 28.388 1.00 0.00 ATOM 761 CB HIS 98 57.690 7.164 29.465 1.00 0.00 ATOM 762 CG HIS 98 57.386 5.723 29.766 1.00 0.00 ATOM 763 CD2 HIS 98 56.711 5.143 30.791 1.00 0.00 ATOM 764 ND1 HIS 98 57.806 4.693 28.950 1.00 0.00 ATOM 765 CE1 HIS 98 57.410 3.534 29.461 1.00 0.00 ATOM 766 NE2 HIS 98 56.736 3.786 30.576 1.00 0.00 ATOM 767 O HIS 98 58.267 9.638 28.550 1.00 0.00 ATOM 768 C HIS 98 57.205 9.195 28.097 1.00 0.00 ATOM 769 N ASP 99 56.400 9.885 27.292 1.00 0.00 ATOM 770 CA ASP 99 56.810 11.173 26.726 1.00 0.00 ATOM 771 CB ASP 99 56.386 11.298 25.225 1.00 0.00 ATOM 772 CG ASP 99 54.868 11.503 25.054 1.00 0.00 ATOM 773 OD1 ASP 99 54.098 10.895 25.813 1.00 0.00 ATOM 774 OD2 ASP 99 54.412 12.297 24.169 1.00 0.00 ATOM 775 O ASP 99 56.307 13.475 27.039 1.00 0.00 ATOM 776 C ASP 99 56.194 12.328 27.497 1.00 0.00 ATOM 777 N ARG 100 55.502 12.027 28.607 1.00 0.00 ATOM 778 CA ARG 100 54.848 13.071 29.362 1.00 0.00 ATOM 779 CB ARG 100 53.542 13.519 28.673 1.00 0.00 ATOM 780 CG ARG 100 52.422 12.451 28.713 1.00 0.00 ATOM 781 CD ARG 100 51.250 12.759 27.762 1.00 0.00 ATOM 782 NE ARG 100 51.746 12.899 26.402 1.00 0.00 ATOM 783 CZ ARG 100 51.166 13.623 25.448 1.00 0.00 ATOM 784 NH1 ARG 100 50.022 14.256 25.684 1.00 0.00 ATOM 785 NH2 ARG 100 51.739 13.694 24.251 1.00 0.00 ATOM 786 O ARG 100 54.596 11.414 31.052 1.00 0.00 ATOM 787 C ARG 100 54.560 12.602 30.764 1.00 0.00 ATOM 788 N ALA 101 54.250 13.560 31.634 1.00 0.00 ATOM 789 CA ALA 101 53.792 13.262 32.971 1.00 0.00 ATOM 790 CB ALA 101 53.734 14.578 33.781 1.00 0.00 ATOM 791 O ALA 101 51.620 12.783 31.981 1.00 0.00 ATOM 792 C ALA 101 52.401 12.595 32.938 1.00 0.00 ATOM 793 N PHE 102 52.103 11.849 33.999 1.00 0.00 ATOM 794 CA PHE 102 50.761 11.313 34.279 1.00 0.00 ATOM 795 CB PHE 102 49.712 12.428 34.325 1.00 0.00 ATOM 796 CG PHE 102 50.071 13.534 35.279 1.00 0.00 ATOM 797 CD1 PHE 102 50.538 13.239 36.557 1.00 0.00 ATOM 798 CD2 PHE 102 49.967 14.873 34.895 1.00 0.00 ATOM 799 CE1 PHE 102 50.879 14.269 37.467 1.00 0.00 ATOM 800 CE2 PHE 102 50.305 15.925 35.788 1.00 0.00 ATOM 801 CZ PHE 102 50.775 15.623 37.080 1.00 0.00 ATOM 802 O PHE 102 49.118 9.833 33.261 1.00 0.00 ATOM 803 C PHE 102 50.338 10.167 33.384 1.00 0.00 ATOM 804 N LEU 103 51.327 9.509 32.783 1.00 0.00 ATOM 805 CA LEU 103 51.016 8.302 32.018 1.00 0.00 ATOM 806 CB LEU 103 52.129 7.988 31.019 1.00 0.00 ATOM 807 CG LEU 103 52.084 8.894 29.786 1.00 0.00 ATOM 808 CD1 LEU 103 53.433 8.780 29.007 1.00 0.00 ATOM 809 CD2 LEU 103 50.884 8.628 28.862 1.00 0.00 ATOM 810 O LEU 103 51.537 7.099 33.990 1.00 0.00 ATOM 811 C LEU 103 50.876 7.128 32.957 1.00 0.00 ATOM 812 N LEU 104 50.056 6.149 32.578 1.00 0.00 ATOM 813 CA LEU 104 49.877 4.924 33.358 1.00 0.00 ATOM 814 CB LEU 104 48.406 4.585 33.446 1.00 0.00 ATOM 815 CG LEU 104 47.966 3.315 34.167 1.00 0.00 ATOM 816 CD1 LEU 104 48.296 3.372 35.653 1.00 0.00 ATOM 817 CD2 LEU 104 46.446 3.177 33.976 1.00 0.00 ATOM 818 O LEU 104 50.291 3.666 31.330 1.00 0.00 ATOM 819 C LEU 104 50.547 3.818 32.551 1.00 0.00 ATOM 820 N SER 105 51.374 3.035 33.240 1.00 0.00 ATOM 821 CA SER 105 52.294 2.126 32.604 1.00 0.00 ATOM 822 CB SER 105 53.642 2.871 32.435 1.00 0.00 ATOM 823 OG SER 105 54.571 2.133 31.670 1.00 0.00 ATOM 824 O SER 105 52.217 0.967 34.695 1.00 0.00 ATOM 825 C SER 105 52.447 0.891 33.488 1.00 0.00 ATOM 826 N MET 106 52.803 -0.250 32.917 1.00 0.00 ATOM 827 CA MET 106 52.877 -1.492 33.749 1.00 0.00 ATOM 828 CB MET 106 52.664 -2.757 32.905 1.00 0.00 ATOM 829 CG MET 106 51.183 -2.956 32.407 1.00 0.00 ATOM 830 SD MET 106 50.011 -3.027 33.752 1.00 0.00 ATOM 831 CE MET 106 50.404 -4.685 34.375 1.00 0.00 ATOM 832 O MET 106 55.244 -1.487 33.824 1.00 0.00 ATOM 833 C MET 106 54.217 -1.601 34.463 1.00 0.00 ATOM 834 N ALA 107 54.205 -1.800 35.776 1.00 0.00 ATOM 835 CA ALA 107 55.411 -2.214 36.522 1.00 0.00 ATOM 836 CB ALA 107 55.106 -2.273 38.029 1.00 0.00 ATOM 837 O ALA 107 54.890 -4.367 35.626 1.00 0.00 ATOM 838 C ALA 107 55.771 -3.625 36.033 1.00 0.00 ATOM 839 N ASN 108 57.041 -4.035 36.146 1.00 0.00 ATOM 840 CA ASN 108 57.407 -5.413 35.811 1.00 0.00 ATOM 841 CB ASN 108 57.390 -5.635 34.280 1.00 0.00 ATOM 842 CG ASN 108 58.475 -4.884 33.553 1.00 0.00 ATOM 843 ND2 ASN 108 58.107 -4.172 32.480 1.00 0.00 ATOM 844 OD1 ASN 108 59.632 -4.948 33.931 1.00 0.00 ATOM 845 O ASN 108 59.381 -4.926 37.118 1.00 0.00 ATOM 846 C ASN 108 58.741 -5.785 36.467 1.00 0.00 ATOM 847 N ARG 109 59.158 -7.037 36.316 1.00 0.00 ATOM 848 CA ARG 109 60.497 -7.453 36.759 1.00 0.00 ATOM 849 CB ARG 109 60.389 -8.400 37.950 1.00 0.00 ATOM 850 CG ARG 109 59.385 -9.518 37.807 1.00 0.00 ATOM 851 CD ARG 109 59.224 -10.202 39.171 1.00 0.00 ATOM 852 NE ARG 109 58.850 -11.616 39.089 1.00 0.00 ATOM 853 CZ ARG 109 58.554 -12.378 40.154 1.00 0.00 ATOM 854 NH1 ARG 109 58.585 -11.858 41.385 1.00 0.00 ATOM 855 NH2 ARG 109 58.218 -13.665 40.005 1.00 0.00 ATOM 856 O ARG 109 62.030 -9.053 35.815 1.00 0.00 ATOM 857 C ARG 109 61.319 -8.069 35.627 1.00 0.00 ATOM 858 N GLY 110 61.224 -7.467 34.446 1.00 0.00 ATOM 859 CA GLY 110 61.824 -8.063 33.243 1.00 0.00 ATOM 860 O GLY 110 59.535 -8.108 32.419 1.00 0.00 ATOM 861 C GLY 110 60.757 -8.344 32.201 1.00 0.00 ATOM 862 N LYS 111 61.191 -8.825 31.037 1.00 0.00 ATOM 863 CA LYS 111 60.272 -9.044 29.911 1.00 0.00 ATOM 864 CB LYS 111 61.015 -9.567 28.670 1.00 0.00 ATOM 865 CG LYS 111 61.907 -8.523 28.035 1.00 0.00 ATOM 866 CD LYS 111 62.469 -9.035 26.699 1.00 0.00 ATOM 867 CE LYS 111 63.131 -7.862 25.913 1.00 0.00 ATOM 868 NZ LYS 111 62.141 -6.741 25.588 1.00 0.00 ATOM 869 O LYS 111 59.307 -10.954 30.981 1.00 0.00 ATOM 870 C LYS 111 59.114 -9.968 30.271 1.00 0.00 ATOM 871 N HIS 112 57.906 -9.597 29.845 1.00 0.00 ATOM 872 CA HIS 112 56.756 -10.476 29.978 1.00 0.00 ATOM 873 CB HIS 112 56.980 -11.700 29.088 1.00 0.00 ATOM 874 CG HIS 112 57.244 -11.335 27.663 1.00 0.00 ATOM 875 CD2 HIS 112 56.622 -10.448 26.845 1.00 0.00 ATOM 876 ND1 HIS 112 58.281 -11.874 26.925 1.00 0.00 ATOM 877 CE1 HIS 112 58.273 -11.345 25.710 1.00 0.00 ATOM 878 NE2 HIS 112 57.277 -10.481 25.637 1.00 0.00 ATOM 879 O HIS 112 56.143 -12.040 31.715 1.00 0.00 ATOM 880 C HIS 112 56.418 -10.860 31.420 1.00 0.00 ATOM 881 N THR 113 56.422 -9.871 32.329 1.00 0.00 ATOM 882 CA THR 113 56.124 -10.177 33.707 1.00 0.00 ATOM 883 CB THR 113 57.386 -10.158 34.605 1.00 0.00 ATOM 884 CG2 THR 113 58.386 -11.241 34.193 1.00 0.00 ATOM 885 OG1 THR 113 58.001 -8.863 34.552 1.00 0.00 ATOM 886 O THR 113 55.152 -8.760 35.374 1.00 0.00 ATOM 887 C THR 113 55.080 -9.188 34.223 1.00 0.00 ATOM 888 N ASN 114 54.114 -8.851 33.354 1.00 0.00 ATOM 889 CA ASN 114 53.039 -7.930 33.701 1.00 0.00 ATOM 890 CB ASN 114 52.338 -7.406 32.449 1.00 0.00 ATOM 891 CG ASN 114 53.283 -6.673 31.517 1.00 0.00 ATOM 892 ND2 ASN 114 53.691 -5.498 31.934 1.00 0.00 ATOM 893 OD1 ASN 114 53.644 -7.168 30.426 1.00 0.00 ATOM 894 O ASN 114 51.556 -9.730 34.242 1.00 0.00 ATOM 895 C ASN 114 52.035 -8.646 34.581 1.00 0.00 ATOM 896 N GLY 115 51.683 -8.034 35.712 1.00 0.00 ATOM 897 CA GLY 115 50.722 -8.677 36.606 1.00 0.00 ATOM 898 O GLY 115 48.785 -7.479 35.980 1.00 0.00 ATOM 899 C GLY 115 49.580 -7.735 36.870 1.00 0.00 ATOM 900 N SER 116 49.557 -7.168 38.083 1.00 0.00 ATOM 901 CA SER 116 48.610 -6.109 38.429 1.00 0.00 ATOM 902 CB SER 116 47.711 -6.586 39.598 1.00 0.00 ATOM 903 OG SER 116 48.482 -6.843 40.781 1.00 0.00 ATOM 904 O SER 116 48.627 -3.724 38.848 1.00 0.00 ATOM 905 C SER 116 49.286 -4.784 38.791 1.00 0.00 ATOM 906 N GLN 117 50.575 -4.821 39.088 1.00 0.00 ATOM 907 CA GLN 117 51.244 -3.589 39.508 1.00 0.00 ATOM 908 CB GLN 117 52.597 -3.886 40.188 1.00 0.00 ATOM 909 CG GLN 117 52.510 -4.737 41.491 1.00 0.00 ATOM 910 CD GLN 117 53.867 -4.867 42.133 1.00 0.00 ATOM 911 OE1 GLN 117 54.559 -3.866 42.307 1.00 0.00 ATOM 912 NE2 GLN 117 54.275 -6.092 42.467 1.00 0.00 ATOM 913 O GLN 117 51.632 -3.042 37.154 1.00 0.00 ATOM 914 C GLN 117 51.388 -2.621 38.303 1.00 0.00 ATOM 915 N PHE 118 51.242 -1.325 38.592 1.00 0.00 ATOM 916 CA PHE 118 51.256 -0.252 37.591 1.00 0.00 ATOM 917 CB PHE 118 49.796 0.188 37.299 1.00 0.00 ATOM 918 CG PHE 118 49.085 0.711 38.554 1.00 0.00 ATOM 919 CD1 PHE 118 49.251 2.058 38.952 1.00 0.00 ATOM 920 CD2 PHE 118 48.347 -0.160 39.379 1.00 0.00 ATOM 921 CE1 PHE 118 48.686 2.523 40.170 1.00 0.00 ATOM 922 CE2 PHE 118 47.749 0.311 40.569 1.00 0.00 ATOM 923 CZ PHE 118 47.916 1.665 40.948 1.00 0.00 ATOM 924 O PHE 118 52.193 0.986 39.460 1.00 0.00 ATOM 925 C PHE 118 52.006 0.936 38.234 1.00 0.00 ATOM 926 N PHE 119 52.418 1.908 37.439 1.00 0.00 ATOM 927 CA PHE 119 52.944 3.104 38.036 1.00 0.00 ATOM 928 CB PHE 119 54.487 3.091 38.125 1.00 0.00 ATOM 929 CG PHE 119 55.194 2.919 36.778 1.00 0.00 ATOM 930 CD1 PHE 119 55.739 4.030 36.128 1.00 0.00 ATOM 931 CD2 PHE 119 55.313 1.646 36.180 1.00 0.00 ATOM 932 CE1 PHE 119 56.426 3.897 34.904 1.00 0.00 ATOM 933 CE2 PHE 119 55.978 1.485 34.957 1.00 0.00 ATOM 934 CZ PHE 119 56.553 2.628 34.310 1.00 0.00 ATOM 935 O PHE 119 52.055 4.060 36.016 1.00 0.00 ATOM 936 C PHE 119 52.448 4.267 37.187 1.00 0.00 ATOM 937 N ILE 120 52.436 5.450 37.797 1.00 0.00 ATOM 938 CA ILE 120 52.024 6.712 37.144 1.00 0.00 ATOM 939 CB ILE 120 50.875 7.384 37.920 1.00 0.00 ATOM 940 CG1 ILE 120 49.659 6.411 38.051 1.00 0.00 ATOM 941 CG2 ILE 120 50.505 8.823 37.313 1.00 0.00 ATOM 942 CD1 ILE 120 48.491 6.848 39.078 1.00 0.00 ATOM 943 O ILE 120 53.879 7.799 38.247 1.00 0.00 ATOM 944 C ILE 120 53.273 7.613 37.180 1.00 0.00 ATOM 945 N THR 121 53.718 8.097 36.020 1.00 0.00 ATOM 946 CA THR 121 54.912 8.920 35.971 1.00 0.00 ATOM 947 CB THR 121 55.497 8.914 34.552 1.00 0.00 ATOM 948 CG2 THR 121 55.835 7.510 34.088 1.00 0.00 ATOM 949 OG1 THR 121 54.494 9.401 33.658 1.00 0.00 ATOM 950 O THR 121 53.360 10.771 36.200 1.00 0.00 ATOM 951 C THR 121 54.523 10.372 36.341 1.00 0.00 ATOM 952 N THR 122 55.494 11.184 36.763 1.00 0.00 ATOM 953 CA THR 122 55.187 12.553 37.035 1.00 0.00 ATOM 954 CB THR 122 55.314 12.851 38.554 1.00 0.00 ATOM 955 CG2 THR 122 54.341 11.945 39.366 1.00 0.00 ATOM 956 OG1 THR 122 56.646 12.544 38.982 1.00 0.00 ATOM 957 O THR 122 56.099 14.649 36.281 1.00 0.00 ATOM 958 C THR 122 56.082 13.415 36.165 1.00 0.00 ATOM 959 N LYS 123 56.802 12.762 35.260 1.00 0.00 ATOM 960 CA LYS 123 57.607 13.454 34.243 1.00 0.00 ATOM 961 CB LYS 123 58.909 13.966 34.874 1.00 0.00 ATOM 962 CG LYS 123 59.911 12.865 35.174 1.00 0.00 ATOM 963 CD LYS 123 61.301 13.404 35.570 1.00 0.00 ATOM 964 CE LYS 123 61.589 14.810 35.009 1.00 0.00 ATOM 965 NZ LYS 123 63.043 15.220 35.085 1.00 0.00 ATOM 966 O LYS 123 57.726 11.280 33.169 1.00 0.00 ATOM 967 C LYS 123 57.899 12.516 33.045 1.00 0.00 ATOM 968 N PRO 124 58.355 13.079 31.890 1.00 0.00 ATOM 969 CA PRO 124 58.758 12.193 30.801 1.00 0.00 ATOM 970 CB PRO 124 59.338 13.162 29.769 1.00 0.00 ATOM 971 CG PRO 124 58.608 14.443 30.037 1.00 0.00 ATOM 972 CD PRO 124 58.544 14.498 31.524 1.00 0.00 ATOM 973 O PRO 124 60.655 11.617 32.165 1.00 0.00 ATOM 974 C PRO 124 59.843 11.224 31.312 1.00 0.00 ATOM 975 N ALA 125 59.840 9.979 30.835 1.00 0.00 ATOM 976 CA ALA 125 60.825 9.013 31.298 1.00 0.00 ATOM 977 CB ALA 125 60.206 8.179 32.403 1.00 0.00 ATOM 978 O ALA 125 60.934 6.953 30.067 1.00 0.00 ATOM 979 C ALA 125 61.255 8.136 30.113 1.00 0.00 ATOM 980 N PRO 126 61.911 8.734 29.103 1.00 0.00 ATOM 981 CA PRO 126 62.147 7.991 27.870 1.00 0.00 ATOM 982 CB PRO 126 62.784 9.023 26.948 1.00 0.00 ATOM 983 CG PRO 126 63.381 10.094 27.910 1.00 0.00 ATOM 984 CD PRO 126 62.384 10.134 29.026 1.00 0.00 ATOM 985 O PRO 126 62.983 5.870 27.201 1.00 0.00 ATOM 986 C PRO 126 63.051 6.762 28.022 1.00 0.00 ATOM 987 N HIS 127 63.862 6.694 29.074 1.00 0.00 ATOM 988 CA HIS 127 64.668 5.522 29.301 1.00 0.00 ATOM 989 CB HIS 127 65.686 5.718 30.455 1.00 0.00 ATOM 990 CG HIS 127 65.064 6.014 31.785 1.00 0.00 ATOM 991 CD2 HIS 127 65.129 5.344 32.968 1.00 0.00 ATOM 992 ND1 HIS 127 64.308 7.151 32.025 1.00 0.00 ATOM 993 CE1 HIS 127 63.942 7.166 33.297 1.00 0.00 ATOM 994 NE2 HIS 127 64.403 6.070 33.883 1.00 0.00 ATOM 995 O HIS 127 64.290 3.190 29.485 1.00 0.00 ATOM 996 C HIS 127 63.794 4.310 29.576 1.00 0.00 ATOM 997 N LEU 128 62.508 4.523 29.889 1.00 0.00 ATOM 998 CA LEU 128 61.578 3.379 30.123 1.00 0.00 ATOM 999 CB LEU 128 60.529 3.721 31.209 1.00 0.00 ATOM 1000 CG LEU 128 61.067 4.186 32.589 1.00 0.00 ATOM 1001 CD1 LEU 128 59.902 4.462 33.592 1.00 0.00 ATOM 1002 CD2 LEU 128 61.978 3.118 33.127 1.00 0.00 ATOM 1003 O LEU 128 60.213 1.832 28.850 1.00 0.00 ATOM 1004 C LEU 128 60.891 2.857 28.829 1.00 0.00 ATOM 1005 N ASP 129 61.092 3.543 27.700 1.00 0.00 ATOM 1006 CA ASP 129 60.448 3.150 26.468 1.00 0.00 ATOM 1007 CB ASP 129 60.652 4.201 25.360 1.00 0.00 ATOM 1008 CG ASP 129 60.062 5.553 25.714 1.00 0.00 ATOM 1009 OD1 ASP 129 59.222 5.614 26.632 1.00 0.00 ATOM 1010 OD2 ASP 129 60.451 6.566 25.082 1.00 0.00 ATOM 1011 O ASP 129 62.202 1.577 25.957 1.00 0.00 ATOM 1012 C ASP 129 61.003 1.786 26.016 1.00 0.00 ATOM 1013 N GLY 130 60.103 0.872 25.688 1.00 0.00 ATOM 1014 CA GLY 130 60.484 -0.477 25.242 1.00 0.00 ATOM 1015 O GLY 130 61.240 -2.541 26.259 1.00 0.00 ATOM 1016 C GLY 130 60.781 -1.384 26.434 1.00 0.00 ATOM 1017 N VAL 131 60.521 -0.873 27.640 1.00 0.00 ATOM 1018 CA VAL 131 60.712 -1.598 28.895 1.00 0.00 ATOM 1019 CB VAL 131 61.714 -0.829 29.837 1.00 0.00 ATOM 1020 CG1 VAL 131 62.080 -1.671 31.061 1.00 0.00 ATOM 1021 CG2 VAL 131 62.993 -0.465 29.093 1.00 0.00 ATOM 1022 O VAL 131 59.078 -2.981 30.086 1.00 0.00 ATOM 1023 C VAL 131 59.372 -1.848 29.647 1.00 0.00 ATOM 1024 N HIS 132 58.573 -0.786 29.781 1.00 0.00 ATOM 1025 CA HIS 132 57.278 -0.833 30.449 1.00 0.00 ATOM 1026 CB HIS 132 57.254 0.152 31.615 1.00 0.00 ATOM 1027 CG HIS 132 58.252 -0.190 32.666 1.00 0.00 ATOM 1028 CD2 HIS 132 59.544 0.184 32.825 1.00 0.00 ATOM 1029 ND1 HIS 132 58.003 -1.146 33.624 1.00 0.00 ATOM 1030 CE1 HIS 132 59.085 -1.297 34.376 1.00 0.00 ATOM 1031 NE2 HIS 132 60.032 -0.495 33.915 1.00 0.00 ATOM 1032 O HIS 132 56.370 0.521 28.710 1.00 0.00 ATOM 1033 C HIS 132 56.214 -0.467 29.452 1.00 0.00 ATOM 1034 N VAL 133 55.129 -1.244 29.439 1.00 0.00 ATOM 1035 CA VAL 133 54.028 -0.994 28.530 1.00 0.00 ATOM 1036 CB VAL 133 53.119 -2.266 28.356 1.00 0.00 ATOM 1037 CG1 VAL 133 51.893 -1.951 27.494 1.00 0.00 ATOM 1038 CG2 VAL 133 53.898 -3.440 27.749 1.00 0.00 ATOM 1039 O VAL 133 52.561 0.092 30.139 1.00 0.00 ATOM 1040 C VAL 133 53.181 0.183 29.053 1.00 0.00 ATOM 1041 N VAL 134 53.134 1.257 28.264 1.00 0.00 ATOM 1042 CA VAL 134 52.224 2.425 28.528 1.00 0.00 ATOM 1043 CB VAL 134 52.753 3.714 27.882 1.00 0.00 ATOM 1044 CG1 VAL 134 51.763 4.919 28.063 1.00 0.00 ATOM 1045 CG2 VAL 134 54.155 4.019 28.392 1.00 0.00 ATOM 1046 O VAL 134 50.723 1.753 26.766 1.00 0.00 ATOM 1047 C VAL 134 50.840 2.129 27.952 1.00 0.00 ATOM 1048 N PHE 135 49.777 2.297 28.763 1.00 0.00 ATOM 1049 CA PHE 135 48.459 1.979 28.267 1.00 0.00 ATOM 1050 CB PHE 135 48.090 0.527 28.668 1.00 0.00 ATOM 1051 CG PHE 135 48.007 0.330 30.156 1.00 0.00 ATOM 1052 CD1 PHE 135 46.769 0.351 30.801 1.00 0.00 ATOM 1053 CD2 PHE 135 49.165 0.170 30.919 1.00 0.00 ATOM 1054 CE1 PHE 135 46.673 0.212 32.202 1.00 0.00 ATOM 1055 CE2 PHE 135 49.088 0.029 32.319 1.00 0.00 ATOM 1056 CZ PHE 135 47.831 0.023 32.960 1.00 0.00 ATOM 1057 O PHE 135 46.161 2.742 28.338 1.00 0.00 ATOM 1058 C PHE 135 47.359 2.983 28.621 1.00 0.00 ATOM 1059 N GLY 136 47.731 4.108 29.234 1.00 0.00 ATOM 1060 CA GLY 136 46.689 4.986 29.764 1.00 0.00 ATOM 1061 O GLY 136 48.467 6.502 30.224 1.00 0.00 ATOM 1062 C GLY 136 47.243 6.297 30.217 1.00 0.00 ATOM 1063 N LEU 137 46.347 7.201 30.606 1.00 0.00 ATOM 1064 CA LEU 137 46.761 8.540 30.999 1.00 0.00 ATOM 1065 CB LEU 137 46.595 9.469 29.789 1.00 0.00 ATOM 1066 CG LEU 137 46.791 10.984 29.888 1.00 0.00 ATOM 1067 CD1 LEU 137 48.264 11.360 30.276 1.00 0.00 ATOM 1068 CD2 LEU 137 46.443 11.584 28.533 1.00 0.00 ATOM 1069 O LEU 137 44.608 8.806 32.018 1.00 0.00 ATOM 1070 C LEU 137 45.821 9.036 32.093 1.00 0.00 ATOM 1071 N VAL 138 46.361 9.732 33.088 1.00 0.00 ATOM 1072 CA VAL 138 45.525 10.372 34.110 1.00 0.00 ATOM 1073 CB VAL 138 46.317 10.708 35.400 1.00 0.00 ATOM 1074 CG1 VAL 138 45.460 11.501 36.392 1.00 0.00 ATOM 1075 CG2 VAL 138 46.841 9.408 36.053 1.00 0.00 ATOM 1076 O VAL 138 45.619 12.434 32.842 1.00 0.00 ATOM 1077 C VAL 138 44.917 11.628 33.479 1.00 0.00 ATOM 1078 N ILE 139 43.609 11.795 33.621 1.00 0.00 ATOM 1079 CA ILE 139 42.982 12.955 33.037 1.00 0.00 ATOM 1080 CB ILE 139 41.928 12.507 31.960 1.00 0.00 ATOM 1081 CG1 ILE 139 40.838 11.621 32.570 1.00 0.00 ATOM 1082 CG2 ILE 139 42.615 11.775 30.796 1.00 0.00 ATOM 1083 CD1 ILE 139 39.520 11.598 31.728 1.00 0.00 ATOM 1084 O ILE 139 41.837 14.935 33.796 1.00 0.00 ATOM 1085 C ILE 139 42.358 13.846 34.107 1.00 0.00 ATOM 1086 N SER 140 42.366 13.390 35.367 1.00 0.00 ATOM 1087 CA SER 140 41.884 14.204 36.450 1.00 0.00 ATOM 1088 CB SER 140 40.339 14.132 36.549 1.00 0.00 ATOM 1089 OG SER 140 39.914 15.087 37.492 1.00 0.00 ATOM 1090 O SER 140 42.727 12.413 37.812 1.00 0.00 ATOM 1091 C SER 140 42.474 13.648 37.728 1.00 0.00 ATOM 1092 N GLY 141 42.655 14.533 38.724 1.00 0.00 ATOM 1093 CA GLY 141 43.280 14.176 39.997 1.00 0.00 ATOM 1094 O GLY 141 45.473 13.723 40.849 1.00 0.00 ATOM 1095 C GLY 141 44.768 14.422 40.111 1.00 0.00 ATOM 1096 N PHE 142 45.263 15.424 39.400 1.00 0.00 ATOM 1097 CA PHE 142 46.692 15.746 39.378 1.00 0.00 ATOM 1098 CB PHE 142 46.925 16.836 38.322 1.00 0.00 ATOM 1099 CG PHE 142 46.330 16.466 36.975 1.00 0.00 ATOM 1100 CD1 PHE 142 46.788 15.320 36.298 1.00 0.00 ATOM 1101 CD2 PHE 142 45.287 17.220 36.405 1.00 0.00 ATOM 1102 CE1 PHE 142 46.253 14.960 35.059 1.00 0.00 ATOM 1103 CE2 PHE 142 44.719 16.853 35.177 1.00 0.00 ATOM 1104 CZ PHE 142 45.197 15.728 34.507 1.00 0.00 ATOM 1105 O PHE 142 48.341 15.848 41.152 1.00 0.00 ATOM 1106 C PHE 142 47.192 16.150 40.768 1.00 0.00 ATOM 1107 N GLU 143 46.324 16.836 41.521 1.00 0.00 ATOM 1108 CA GLU 143 46.691 17.280 42.871 1.00 0.00 ATOM 1109 CB GLU 143 45.673 18.288 43.425 1.00 0.00 ATOM 1110 CG GLU 143 44.276 17.700 43.715 1.00 0.00 ATOM 1111 CD GLU 143 43.429 17.336 42.449 1.00 0.00 ATOM 1112 OE1 GLU 143 43.770 17.753 41.276 1.00 0.00 ATOM 1113 OE2 GLU 143 42.406 16.641 42.680 1.00 0.00 ATOM 1114 O GLU 143 47.716 16.102 44.686 1.00 0.00 ATOM 1115 C GLU 143 46.888 16.061 43.806 1.00 0.00 ATOM 1116 N VAL 144 46.124 14.988 43.591 1.00 0.00 ATOM 1117 CA VAL 144 46.259 13.747 44.365 1.00 0.00 ATOM 1118 CB VAL 144 45.186 12.684 43.982 1.00 0.00 ATOM 1119 CG1 VAL 144 45.223 11.521 44.942 1.00 0.00 ATOM 1120 CG2 VAL 144 43.778 13.263 43.962 1.00 0.00 ATOM 1121 O VAL 144 48.300 12.634 45.007 1.00 0.00 ATOM 1122 C VAL 144 47.624 13.114 44.088 1.00 0.00 ATOM 1123 N ILE 145 47.994 13.064 42.806 1.00 0.00 ATOM 1124 CA ILE 145 49.253 12.475 42.398 1.00 0.00 ATOM 1125 CB ILE 145 49.435 12.488 40.839 1.00 0.00 ATOM 1126 CG1 ILE 145 48.302 11.726 40.110 1.00 0.00 ATOM 1127 CG2 ILE 145 50.819 11.960 40.415 1.00 0.00 ATOM 1128 CD1 ILE 145 48.069 10.376 40.604 1.00 0.00 ATOM 1129 O ILE 145 51.282 12.700 43.692 1.00 0.00 ATOM 1130 C ILE 145 50.362 13.285 43.107 1.00 0.00 ATOM 1131 N GLU 146 50.267 14.619 43.027 1.00 0.00 ATOM 1132 CA GLU 146 51.277 15.525 43.619 1.00 0.00 ATOM 1133 CB GLU 146 50.832 17.000 43.518 1.00 0.00 ATOM 1134 CG GLU 146 51.892 18.000 44.132 1.00 0.00 ATOM 1135 CD GLU 146 51.444 19.471 44.185 1.00 0.00 ATOM 1136 OE1 GLU 146 50.258 19.755 44.492 1.00 0.00 ATOM 1137 OE2 GLU 146 52.308 20.350 43.928 1.00 0.00 ATOM 1138 O GLU 146 52.547 15.134 45.621 1.00 0.00 ATOM 1139 C GLU 146 51.438 15.213 45.090 1.00 0.00 ATOM 1140 N GLN 147 50.301 15.109 45.762 1.00 0.00 ATOM 1141 CA GLN 147 50.301 14.864 47.178 1.00 0.00 ATOM 1142 CB GLN 147 48.860 14.919 47.706 1.00 0.00 ATOM 1143 CG GLN 147 48.841 15.211 49.170 1.00 0.00 ATOM 1144 CD GLN 147 47.467 15.402 49.778 1.00 0.00 ATOM 1145 OE1 GLN 147 46.483 15.773 49.109 1.00 0.00 ATOM 1146 NE2 GLN 147 47.408 15.180 51.090 1.00 0.00 ATOM 1147 O GLN 147 51.902 13.490 48.393 1.00 0.00 ATOM 1148 C GLN 147 51.006 13.524 47.531 1.00 0.00 ATOM 1149 N ILE 148 50.630 12.444 46.837 1.00 0.00 ATOM 1150 CA ILE 148 51.237 11.144 47.037 1.00 0.00 ATOM 1151 CB ILE 148 50.598 10.046 46.124 1.00 0.00 ATOM 1152 CG1 ILE 148 49.142 9.783 46.517 1.00 0.00 ATOM 1153 CG2 ILE 148 51.414 8.695 46.234 1.00 0.00 ATOM 1154 CD1 ILE 148 48.335 8.970 45.483 1.00 0.00 ATOM 1155 O ILE 148 53.553 10.679 47.512 1.00 0.00 ATOM 1156 C ILE 148 52.744 11.204 46.747 1.00 0.00 ATOM 1157 N GLU 149 53.105 11.805 45.615 1.00 0.00 ATOM 1158 CA GLU 149 54.509 11.952 45.189 1.00 0.00 ATOM 1159 CB GLU 149 54.525 12.798 43.892 1.00 0.00 ATOM 1160 CG GLU 149 55.829 12.843 43.196 1.00 0.00 ATOM 1161 CD GLU 149 55.886 13.891 42.111 1.00 0.00 ATOM 1162 OE1 GLU 149 54.929 14.679 41.901 1.00 0.00 ATOM 1163 OE2 GLU 149 56.884 13.881 41.388 1.00 0.00 ATOM 1164 O GLU 149 56.654 12.389 46.203 1.00 0.00 ATOM 1165 C GLU 149 55.426 12.640 46.203 1.00 0.00 ATOM 1166 N ASN 150 54.855 13.533 47.026 1.00 0.00 ATOM 1167 CA ASN 150 55.651 14.301 47.999 1.00 0.00 ATOM 1168 CB ASN 150 55.207 15.747 48.030 1.00 0.00 ATOM 1169 CG ASN 150 55.700 16.500 46.813 1.00 0.00 ATOM 1170 ND2 ASN 150 54.901 16.530 45.739 1.00 0.00 ATOM 1171 OD1 ASN 150 56.819 16.995 46.815 1.00 0.00 ATOM 1172 O ASN 150 56.368 14.221 50.302 1.00 0.00 ATOM 1173 C ASN 150 55.716 13.681 49.389 1.00 0.00 ATOM 1174 N LEU 151 55.129 12.495 49.537 1.00 0.00 ATOM 1175 CA LEU 151 55.191 11.817 50.854 1.00 0.00 ATOM 1176 CB LEU 151 54.248 10.610 50.888 1.00 0.00 ATOM 1177 CG LEU 151 52.731 10.859 50.732 1.00 0.00 ATOM 1178 CD1 LEU 151 52.025 9.569 50.483 1.00 0.00 ATOM 1179 CD2 LEU 151 52.141 11.572 51.972 1.00 0.00 ATOM 1180 O LEU 151 57.366 10.986 50.350 1.00 0.00 ATOM 1181 C LEU 151 56.603 11.387 51.217 1.00 0.00 ATOM 1182 N LYS 152 56.944 11.484 52.511 1.00 0.00 ATOM 1183 CA LYS 152 58.185 10.927 53.066 1.00 0.00 ATOM 1184 CB LYS 152 58.235 11.193 54.589 1.00 0.00 ATOM 1185 CG LYS 152 59.568 10.918 55.244 1.00 0.00 ATOM 1186 CD LYS 152 60.501 12.113 55.079 1.00 0.00 ATOM 1187 CE LYS 152 61.957 11.654 54.917 1.00 0.00 ATOM 1188 NZ LYS 152 62.536 11.141 56.173 1.00 0.00 ATOM 1189 O LYS 152 57.309 8.696 53.173 1.00 0.00 ATOM 1190 C LYS 152 58.259 9.426 52.859 1.00 0.00 ATOM 1191 N THR 153 59.394 8.937 52.382 1.00 0.00 ATOM 1192 CA THR 153 59.533 7.508 52.160 1.00 0.00 ATOM 1193 CB THR 153 59.786 7.214 50.717 1.00 0.00 ATOM 1194 CG2 THR 153 58.596 7.660 49.867 1.00 0.00 ATOM 1195 OG1 THR 153 60.949 7.922 50.288 1.00 0.00 ATOM 1196 O THR 153 61.573 7.775 53.315 1.00 0.00 ATOM 1197 C THR 153 60.726 6.986 52.916 1.00 0.00 ATOM 1198 N ASP 154 60.833 5.667 53.076 1.00 0.00 ATOM 1199 CA ASP 154 62.024 5.113 53.690 1.00 0.00 ATOM 1200 CB ASP 154 61.698 3.821 54.460 1.00 0.00 ATOM 1201 CG ASP 154 61.194 2.703 53.542 1.00 0.00 ATOM 1202 OD1 ASP 154 61.358 2.814 52.291 1.00 0.00 ATOM 1203 OD2 ASP 154 60.603 1.733 54.077 1.00 0.00 ATOM 1204 O ASP 154 62.953 5.362 51.488 1.00 0.00 ATOM 1205 C ASP 154 63.097 4.899 52.627 1.00 0.00 ATOM 1206 N ALA 155 64.165 4.178 52.996 1.00 0.00 ATOM 1207 CA ALA 155 65.304 3.929 52.100 1.00 0.00 ATOM 1208 CB ALA 155 66.463 3.258 52.850 1.00 0.00 ATOM 1209 O ALA 155 65.485 3.245 49.815 1.00 0.00 ATOM 1210 C ALA 155 64.883 3.109 50.881 1.00 0.00 ATOM 1211 N ALA 156 63.833 2.281 51.027 1.00 0.00 ATOM 1212 CA ALA 156 63.360 1.482 49.893 1.00 0.00 ATOM 1213 CB ALA 156 62.850 0.096 50.357 1.00 0.00 ATOM 1214 O ALA 156 61.576 1.598 48.257 1.00 0.00 ATOM 1215 C ALA 156 62.287 2.226 49.075 1.00 0.00 ATOM 1216 N SER 157 62.174 3.546 49.298 1.00 0.00 ATOM 1217 CA SER 157 61.151 4.396 48.647 1.00 0.00 ATOM 1218 CB SER 157 61.368 4.418 47.114 1.00 0.00 ATOM 1219 OG SER 157 62.605 5.055 46.781 1.00 0.00 ATOM 1220 O SER 157 58.774 4.188 48.233 1.00 0.00 ATOM 1221 C SER 157 59.713 3.957 48.992 1.00 0.00 ATOM 1222 N ARG 158 59.533 3.304 50.131 1.00 0.00 ATOM 1223 CA ARG 158 58.182 2.968 50.600 1.00 0.00 ATOM 1224 CB ARG 158 58.230 1.629 51.331 1.00 0.00 ATOM 1225 CG ARG 158 56.914 1.177 51.917 1.00 0.00 ATOM 1226 CD ARG 158 57.113 -0.174 52.576 1.00 0.00 ATOM 1227 NE ARG 158 55.939 -0.643 53.311 1.00 0.00 ATOM 1228 CZ ARG 158 55.121 -1.608 52.897 1.00 0.00 ATOM 1229 NH1 ARG 158 55.316 -2.202 51.725 1.00 0.00 ATOM 1230 NH2 ARG 158 54.104 -1.986 53.669 1.00 0.00 ATOM 1231 O ARG 158 58.314 4.443 52.537 1.00 0.00 ATOM 1232 C ARG 158 57.650 4.099 51.537 1.00 0.00 ATOM 1233 N PRO 159 56.473 4.677 51.210 1.00 0.00 ATOM 1234 CA PRO 159 55.916 5.776 52.007 1.00 0.00 ATOM 1235 CB PRO 159 54.526 6.031 51.358 1.00 0.00 ATOM 1236 CG PRO 159 54.600 5.447 50.033 1.00 0.00 ATOM 1237 CD PRO 159 55.566 4.281 50.104 1.00 0.00 ATOM 1238 O PRO 159 55.209 4.139 53.568 1.00 0.00 ATOM 1239 C PRO 159 55.669 5.262 53.416 1.00 0.00 ATOM 1240 N TYR 160 55.963 6.045 54.443 1.00 0.00 ATOM 1241 CA TYR 160 55.527 5.661 55.783 1.00 0.00 ATOM 1242 CB TYR 160 56.244 6.513 56.814 1.00 0.00 ATOM 1243 CG TYR 160 57.746 6.372 56.806 1.00 0.00 ATOM 1244 CD1 TYR 160 58.365 5.264 57.384 1.00 0.00 ATOM 1245 CD2 TYR 160 58.555 7.376 56.263 1.00 0.00 ATOM 1246 CE1 TYR 160 59.769 5.148 57.422 1.00 0.00 ATOM 1247 CE2 TYR 160 59.945 7.276 56.297 1.00 0.00 ATOM 1248 CZ TYR 160 60.548 6.163 56.874 1.00 0.00 ATOM 1249 OH TYR 160 61.923 6.053 56.906 1.00 0.00 ATOM 1250 O TYR 160 53.436 5.013 56.833 1.00 0.00 ATOM 1251 C TYR 160 54.006 5.776 56.038 1.00 0.00 ATOM 1252 N ALA 161 53.351 6.739 55.388 1.00 0.00 ATOM 1253 CA ALA 161 51.937 6.931 55.575 1.00 0.00 ATOM 1254 CB ALA 161 51.523 8.333 55.114 1.00 0.00 ATOM 1255 O ALA 161 51.704 5.169 53.936 1.00 0.00 ATOM 1256 C ALA 161 51.160 5.852 54.821 1.00 0.00 ATOM 1257 N ASP 162 49.898 5.680 55.209 1.00 0.00 ATOM 1258 CA ASP 162 48.995 4.745 54.560 1.00 0.00 ATOM 1259 CB ASP 162 47.862 4.367 55.530 1.00 0.00 ATOM 1260 CG ASP 162 46.848 3.391 54.920 1.00 0.00 ATOM 1261 OD1 ASP 162 47.230 2.286 54.529 1.00 0.00 ATOM 1262 OD2 ASP 162 45.660 3.743 54.824 1.00 0.00 ATOM 1263 O ASP 162 47.620 6.314 53.451 1.00 0.00 ATOM 1264 C ASP 162 48.417 5.410 53.323 1.00 0.00 ATOM 1265 N VAL 163 48.782 4.940 52.129 1.00 0.00 ATOM 1266 CA VAL 163 48.246 5.545 50.886 1.00 0.00 ATOM 1267 CB VAL 163 49.337 5.980 49.871 1.00 0.00 ATOM 1268 CG1 VAL 163 48.714 6.717 48.637 1.00 0.00 ATOM 1269 CG2 VAL 163 50.390 6.862 50.548 1.00 0.00 ATOM 1270 O VAL 163 47.753 3.541 49.610 1.00 0.00 ATOM 1271 C VAL 163 47.319 4.530 50.253 1.00 0.00 ATOM 1272 N ARG 164 46.031 4.762 50.443 1.00 0.00 ATOM 1273 CA ARG 164 45.064 3.693 50.246 1.00 0.00 ATOM 1274 CB ARG 164 44.311 3.507 51.563 1.00 0.00 ATOM 1275 CG ARG 164 43.355 2.318 51.639 1.00 0.00 ATOM 1276 CD ARG 164 44.084 0.976 51.773 1.00 0.00 ATOM 1277 NE ARG 164 45.051 0.886 52.892 1.00 0.00 ATOM 1278 CZ ARG 164 45.528 -0.265 53.373 1.00 0.00 ATOM 1279 NH1 ARG 164 45.086 -1.434 52.880 1.00 0.00 ATOM 1280 NH2 ARG 164 46.398 -0.265 54.381 1.00 0.00 ATOM 1281 O ARG 164 43.496 5.094 49.028 1.00 0.00 ATOM 1282 C ARG 164 44.088 3.990 49.088 1.00 0.00 ATOM 1283 N VAL 165 43.900 3.006 48.204 1.00 0.00 ATOM 1284 CA VAL 165 42.836 3.064 47.191 1.00 0.00 ATOM 1285 CB VAL 165 43.112 2.172 45.957 1.00 0.00 ATOM 1286 CG1 VAL 165 41.987 2.267 44.937 1.00 0.00 ATOM 1287 CG2 VAL 165 44.419 2.599 45.257 1.00 0.00 ATOM 1288 O VAL 165 41.324 1.412 48.088 1.00 0.00 ATOM 1289 C VAL 165 41.575 2.610 47.915 1.00 0.00 ATOM 1290 N ILE 166 40.776 3.576 48.352 1.00 0.00 ATOM 1291 CA ILE 166 39.630 3.234 49.212 1.00 0.00 ATOM 1292 CB ILE 166 39.276 4.426 50.180 1.00 0.00 ATOM 1293 CG1 ILE 166 38.653 3.905 51.471 1.00 0.00 ATOM 1294 CG2 ILE 166 38.461 5.540 49.496 1.00 0.00 ATOM 1295 CD1 ILE 166 39.677 3.199 52.361 1.00 0.00 ATOM 1296 O ILE 166 37.543 2.068 48.869 1.00 0.00 ATOM 1297 C ILE 166 38.451 2.762 48.375 1.00 0.00 ATOM 1298 N ASP 167 38.452 3.154 47.095 1.00 0.00 ATOM 1299 CA ASP 167 37.384 2.732 46.208 1.00 0.00 ATOM 1300 CB ASP 167 36.107 3.581 46.383 1.00 0.00 ATOM 1301 CG ASP 167 34.876 2.924 45.741 1.00 0.00 ATOM 1302 OD1 ASP 167 34.890 1.699 45.496 1.00 0.00 ATOM 1303 OD2 ASP 167 33.922 3.651 45.409 1.00 0.00 ATOM 1304 O ASP 167 38.995 3.497 44.605 1.00 0.00 ATOM 1305 C ASP 167 37.971 2.834 44.817 1.00 0.00 ATOM 1306 N CYS 168 37.379 2.129 43.881 1.00 0.00 ATOM 1307 CA CYS 168 37.811 2.217 42.487 1.00 0.00 ATOM 1308 CB CYS 168 39.110 1.444 42.261 1.00 0.00 ATOM 1309 SG CYS 168 39.122 -0.276 42.883 1.00 0.00 ATOM 1310 O CYS 168 35.807 0.937 42.252 1.00 0.00 ATOM 1311 C CYS 168 36.674 1.602 41.681 1.00 0.00 ATOM 1312 N GLY 169 36.663 1.827 40.373 1.00 0.00 ATOM 1313 CA GLY 169 35.597 1.268 39.575 1.00 0.00 ATOM 1314 O GLY 169 36.537 2.606 37.856 1.00 0.00 ATOM 1315 C GLY 169 35.749 1.696 38.150 1.00 0.00 ATOM 1316 N VAL 170 34.957 1.068 37.277 1.00 0.00 ATOM 1317 CA VAL 170 34.939 1.372 35.839 1.00 0.00 ATOM 1318 CB VAL 170 34.653 0.030 35.097 1.00 0.00 ATOM 1319 CG1 VAL 170 34.293 0.236 33.597 1.00 0.00 ATOM 1320 CG2 VAL 170 35.784 -0.933 35.342 1.00 0.00 ATOM 1321 O VAL 170 32.735 2.211 36.240 1.00 0.00 ATOM 1322 C VAL 170 33.785 2.327 35.587 1.00 0.00 ATOM 1323 N LEU 171 33.987 3.301 34.692 1.00 0.00 ATOM 1324 CA LEU 171 32.952 4.281 34.404 1.00 0.00 ATOM 1325 CB LEU 171 33.592 5.616 34.028 1.00 0.00 ATOM 1326 CG LEU 171 33.960 6.446 35.256 1.00 0.00 ATOM 1327 CD1 LEU 171 35.299 6.109 35.818 1.00 0.00 ATOM 1328 CD2 LEU 171 33.945 7.912 34.850 1.00 0.00 ATOM 1329 O LEU 171 32.594 2.920 32.518 1.00 0.00 ATOM 1330 C LEU 171 32.119 3.776 33.252 1.00 0.00 ATOM 1331 N ALA 172 30.922 4.339 33.065 1.00 0.00 ATOM 1332 CA ALA 172 29.988 3.863 32.027 1.00 0.00 ATOM 1333 CB ALA 172 28.625 4.527 32.178 1.00 0.00 ATOM 1334 O ALA 172 30.673 5.198 30.175 1.00 0.00 ATOM 1335 C ALA 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: atoms too close: (T0346)G45.C and (T0346)C53.C only 0.000 apart, marking (T0346)C53.C as missing WARNING: atoms too close: (T0346)K46.N and (T0346)Y54.N only 0.000 apart, marking (T0346)K46.N as missing WARNING: atoms too close: (T0346)K46.CA and (T0346)Y54.CA only 0.000 apart, marking (T0346)K46.CA as missing WARNING: atoms too close: (T0346)K152.C and (T0346)T153.C only 0.000 apart, marking (T0346)T153.C as missing WARNING: atoms too close: (T0346)T153.N and (T0346)D154.N only 0.000 apart, marking (T0346)T153.N as missing WARNING: atoms too close: (T0346)T153.CA and (T0346)D154.CA only 0.000 apart, marking (T0346)T153.CA as missing # 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: atoms too close: (T0346)E41.C and (T0346)K42.C only 0.000 apart, marking (T0346)K42.C as missing WARNING: atoms too close: (T0346)K42.N and (T0346)G43.N only 0.000 apart, marking (T0346)K42.N as missing WARNING: atoms too close: (T0346)K42.CA and (T0346)G43.CA only 0.000 apart, marking (T0346)K42.CA as missing WARNING: atoms too close: (T0346)L151.C and (T0346)K152.C only 0.000 apart, marking (T0346)K152.C as missing WARNING: atoms too close: (T0346)K152.N and (T0346)T153.N only 0.000 apart, marking (T0346)K152.N as missing WARNING: atoms too close: (T0346)K152.CA and (T0346)T153.CA only 0.000 apart, marking (T0346)K152.CA as missing # 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: atoms too close: (T0346)G45.C and (T0346)C53.C only 0.000 apart, marking (T0346)C53.C as missing WARNING: atoms too close: (T0346)K46.N and (T0346)Y54.N only 0.000 apart, marking (T0346)K46.N as missing WARNING: atoms too close: (T0346)K46.CA and (T0346)Y54.CA only 0.000 apart, marking (T0346)K46.CA as missing WARNING: atoms too close: (T0346)K152.C and (T0346)T153.C only 0.000 apart, marking (T0346)T153.C as missing WARNING: atoms too close: (T0346)T153.N and (T0346)D154.N only 0.000 apart, marking (T0346)T153.N as missing WARNING: atoms too close: (T0346)T153.CA and (T0346)D154.CA only 0.000 apart, marking (T0346)T153.CA as missing # 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: atoms too close: (T0346)A156.C and (T0346)S157.C only 0.000 apart, marking (T0346)S157.C as missing WARNING: atoms too close: (T0346)S157.N and (T0346)R158.N only 0.000 apart, marking (T0346)S157.N as missing WARNING: atoms too close: (T0346)S157.CA and (T0346)R158.CA only 0.000 apart, marking (T0346)S157.CA as missing # 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: atoms too close: (T0346)G45.C and (T0346)C53.C only 0.000 apart, marking (T0346)C53.C as missing WARNING: atoms too close: (T0346)K46.N and (T0346)Y54.N only 0.000 apart, marking (T0346)K46.N as missing WARNING: atoms too close: (T0346)K46.CA and (T0346)Y54.CA only 0.000 apart, marking (T0346)K46.CA as missing WARNING: atoms too close: (T0346)H98.C and (T0346)D99.C only 0.000 apart, marking (T0346)D99.C as missing WARNING: atoms too close: (T0346)D99.N and (T0346)R100.N only 0.000 apart, marking (T0346)D99.N as missing WARNING: atoms too close: (T0346)D99.CA and (T0346)R100.CA only 0.000 apart, marking (T0346)D99.CA as missing # 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 # 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 # ReadConformPDB reading from PDB file T0346.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # 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 # ReadConformPDB reading from PDB file T0346.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # 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 # ReadConformPDB reading from PDB file T0346.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # 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 # ReadConformPDB reading from PDB file T0346.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # 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 # 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 # 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 # 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 # 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 # 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 # 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 # 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 # 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 # 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 # 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 # 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 # 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 # 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 # 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 ; scwrl3 -i /var/tmp/to_scwrl_1441055470.pdb -s /var/tmp/to_scwrl_1441055470.seq -o /var/tmp/from_scwrl_1441055470.pdb > /var/tmp/scwrl_1441055470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441055470.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 ; scwrl3 -i /var/tmp/to_scwrl_13446012.pdb -s /var/tmp/to_scwrl_13446012.seq -o /var/tmp/from_scwrl_13446012.pdb > /var/tmp/scwrl_13446012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13446012.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 ; scwrl3 -i /var/tmp/to_scwrl_377918671.pdb -s /var/tmp/to_scwrl_377918671.seq -o /var/tmp/from_scwrl_377918671.pdb > /var/tmp/scwrl_377918671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377918671.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 ; scwrl3 -i /var/tmp/to_scwrl_1739827708.pdb -s /var/tmp/to_scwrl_1739827708.seq -o /var/tmp/from_scwrl_1739827708.pdb > /var/tmp/scwrl_1739827708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1739827708.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 ; scwrl3 -i /var/tmp/to_scwrl_1247353426.pdb -s /var/tmp/to_scwrl_1247353426.seq -o /var/tmp/from_scwrl_1247353426.pdb > /var/tmp/scwrl_1247353426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1247353426.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 ; scwrl3 -i /var/tmp/to_scwrl_1147640127.pdb -s /var/tmp/to_scwrl_1147640127.seq -o /var/tmp/from_scwrl_1147640127.pdb > /var/tmp/scwrl_1147640127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1147640127.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 ; scwrl3 -i /var/tmp/to_scwrl_746491687.pdb -s /var/tmp/to_scwrl_746491687.seq -o /var/tmp/from_scwrl_746491687.pdb > /var/tmp/scwrl_746491687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746491687.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 ; scwrl3 -i /var/tmp/to_scwrl_271193774.pdb -s /var/tmp/to_scwrl_271193774.seq -o /var/tmp/from_scwrl_271193774.pdb > /var/tmp/scwrl_271193774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271193774.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 ; scwrl3 -i /var/tmp/to_scwrl_1094066910.pdb -s /var/tmp/to_scwrl_1094066910.seq -o /var/tmp/from_scwrl_1094066910.pdb > /var/tmp/scwrl_1094066910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1094066910.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 163 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1427275148.pdb -s /var/tmp/to_scwrl_1427275148.seq -o /var/tmp/from_scwrl_1427275148.pdb > /var/tmp/scwrl_1427275148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1427275148.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 ; scwrl3 -i /var/tmp/to_scwrl_60307914.pdb -s /var/tmp/to_scwrl_60307914.seq -o /var/tmp/from_scwrl_60307914.pdb > /var/tmp/scwrl_60307914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_60307914.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 ; scwrl3 -i /var/tmp/to_scwrl_736169948.pdb -s /var/tmp/to_scwrl_736169948.seq -o /var/tmp/from_scwrl_736169948.pdb > /var/tmp/scwrl_736169948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736169948.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 ; scwrl3 -i /var/tmp/to_scwrl_1600903405.pdb -s /var/tmp/to_scwrl_1600903405.seq -o /var/tmp/from_scwrl_1600903405.pdb > /var/tmp/scwrl_1600903405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1600903405.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 163 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_2094026045.pdb -s /var/tmp/to_scwrl_2094026045.seq -o /var/tmp/from_scwrl_2094026045.pdb > /var/tmp/scwrl_2094026045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2094026045.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 ; scwrl3 -i /var/tmp/to_scwrl_1775712136.pdb -s /var/tmp/to_scwrl_1775712136.seq -o /var/tmp/from_scwrl_1775712136.pdb > /var/tmp/scwrl_1775712136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1775712136.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 ; scwrl3 -i /var/tmp/to_scwrl_583521961.pdb -s /var/tmp/to_scwrl_583521961.seq -o /var/tmp/from_scwrl_583521961.pdb > /var/tmp/scwrl_583521961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_583521961.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 ; scwrl3 -i /var/tmp/to_scwrl_1966002451.pdb -s /var/tmp/to_scwrl_1966002451.seq -o /var/tmp/from_scwrl_1966002451.pdb > /var/tmp/scwrl_1966002451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966002451.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 ; scwrl3 -i /var/tmp/to_scwrl_874953376.pdb -s /var/tmp/to_scwrl_874953376.seq -o /var/tmp/from_scwrl_874953376.pdb > /var/tmp/scwrl_874953376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_874953376.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 124 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_158303567.pdb -s /var/tmp/to_scwrl_158303567.seq -o /var/tmp/from_scwrl_158303567.pdb > /var/tmp/scwrl_158303567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158303567.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 ; scwrl3 -i /var/tmp/to_scwrl_665189794.pdb -s /var/tmp/to_scwrl_665189794.seq -o /var/tmp/from_scwrl_665189794.pdb > /var/tmp/scwrl_665189794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665189794.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 167 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1304633748.pdb -s /var/tmp/to_scwrl_1304633748.seq -o /var/tmp/from_scwrl_1304633748.pdb > /var/tmp/scwrl_1304633748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304633748.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 ; scwrl3 -i /var/tmp/to_scwrl_106997016.pdb -s /var/tmp/to_scwrl_106997016.seq -o /var/tmp/from_scwrl_106997016.pdb > /var/tmp/scwrl_106997016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106997016.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 ; scwrl3 -i /var/tmp/to_scwrl_801528234.pdb -s /var/tmp/to_scwrl_801528234.seq -o /var/tmp/from_scwrl_801528234.pdb > /var/tmp/scwrl_801528234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_801528234.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 118 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_298123812.pdb -s /var/tmp/to_scwrl_298123812.seq -o /var/tmp/from_scwrl_298123812.pdb > /var/tmp/scwrl_298123812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298123812.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 133 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_918529642.pdb -s /var/tmp/to_scwrl_918529642.seq -o /var/tmp/from_scwrl_918529642.pdb > /var/tmp/scwrl_918529642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918529642.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 93 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_441379386.pdb -s /var/tmp/to_scwrl_441379386.seq -o /var/tmp/from_scwrl_441379386.pdb > /var/tmp/scwrl_441379386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_441379386.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 97 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_985461917.pdb -s /var/tmp/to_scwrl_985461917.seq -o /var/tmp/from_scwrl_985461917.pdb > /var/tmp/scwrl_985461917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_985461917.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 155 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_318284528.pdb -s /var/tmp/to_scwrl_318284528.seq -o /var/tmp/from_scwrl_318284528.pdb > /var/tmp/scwrl_318284528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_318284528.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 93 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_412068390.pdb -s /var/tmp/to_scwrl_412068390.seq -o /var/tmp/from_scwrl_412068390.pdb > /var/tmp/scwrl_412068390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_412068390.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 ; scwrl3 -i /var/tmp/to_scwrl_311104490.pdb -s /var/tmp/to_scwrl_311104490.seq -o /var/tmp/from_scwrl_311104490.pdb > /var/tmp/scwrl_311104490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311104490.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 155 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1391627013.pdb -s /var/tmp/to_scwrl_1391627013.seq -o /var/tmp/from_scwrl_1391627013.pdb > /var/tmp/scwrl_1391627013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1391627013.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 158 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1853123861.pdb -s /var/tmp/to_scwrl_1853123861.seq -o /var/tmp/from_scwrl_1853123861.pdb > /var/tmp/scwrl_1853123861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853123861.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 ; scwrl3 -i /var/tmp/to_scwrl_324550502.pdb -s /var/tmp/to_scwrl_324550502.seq -o /var/tmp/from_scwrl_324550502.pdb > /var/tmp/scwrl_324550502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324550502.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 154 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1769545684.pdb -s /var/tmp/to_scwrl_1769545684.seq -o /var/tmp/from_scwrl_1769545684.pdb > /var/tmp/scwrl_1769545684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769545684.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 114 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1445467922.pdb -s /var/tmp/to_scwrl_1445467922.seq -o /var/tmp/from_scwrl_1445467922.pdb > /var/tmp/scwrl_1445467922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1445467922.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 ; scwrl3 -i /var/tmp/to_scwrl_1571903928.pdb -s /var/tmp/to_scwrl_1571903928.seq -o /var/tmp/from_scwrl_1571903928.pdb > /var/tmp/scwrl_1571903928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1571903928.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 ; scwrl3 -i /var/tmp/to_scwrl_769702165.pdb -s /var/tmp/to_scwrl_769702165.seq -o /var/tmp/from_scwrl_769702165.pdb > /var/tmp/scwrl_769702165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_769702165.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 ; scwrl3 -i /var/tmp/to_scwrl_44475962.pdb -s /var/tmp/to_scwrl_44475962.seq -o /var/tmp/from_scwrl_44475962.pdb > /var/tmp/scwrl_44475962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_44475962.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 ; scwrl3 -i /var/tmp/to_scwrl_1843097702.pdb -s /var/tmp/to_scwrl_1843097702.seq -o /var/tmp/from_scwrl_1843097702.pdb > /var/tmp/scwrl_1843097702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1843097702.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 ; scwrl3 -i /var/tmp/to_scwrl_1863769075.pdb -s /var/tmp/to_scwrl_1863769075.seq -o /var/tmp/from_scwrl_1863769075.pdb > /var/tmp/scwrl_1863769075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1863769075.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 ; scwrl3 -i /var/tmp/to_scwrl_1471751110.pdb -s /var/tmp/to_scwrl_1471751110.seq -o /var/tmp/from_scwrl_1471751110.pdb > /var/tmp/scwrl_1471751110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1471751110.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 ; scwrl3 -i /var/tmp/to_scwrl_1903405616.pdb -s /var/tmp/to_scwrl_1903405616.seq -o /var/tmp/from_scwrl_1903405616.pdb > /var/tmp/scwrl_1903405616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903405616.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 ; scwrl3 -i /var/tmp/to_scwrl_452455377.pdb -s /var/tmp/to_scwrl_452455377.seq -o /var/tmp/from_scwrl_452455377.pdb > /var/tmp/scwrl_452455377.log Error: Couldn't open file /var/tmp/from_scwrl_452455377.pdb or /var/tmp/from_scwrl_452455377.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_452455377_b.pdb or decoys//var/tmp/from_scwrl_452455377_b.pdb.gz for input Trying /var/tmp/from_scwrl_452455377_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_452455377_b.pdb or /var/tmp/from_scwrl_452455377_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_452455377_a.pdb or decoys//var/tmp/from_scwrl_452455377_a.pdb.gz for input Trying /var/tmp/from_scwrl_452455377_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_452455377_a.pdb or /var/tmp/from_scwrl_452455377_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_452455377.pdb or /var/tmp/from_scwrl_452455377_b.pdb or /var/tmp/from_scwrl_452455377_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 ; scwrl3 -i /var/tmp/to_scwrl_925170869.pdb -s /var/tmp/to_scwrl_925170869.seq -o /var/tmp/from_scwrl_925170869.pdb > /var/tmp/scwrl_925170869.log Error: Couldn't open file /var/tmp/from_scwrl_925170869.pdb or /var/tmp/from_scwrl_925170869.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_925170869_b.pdb or decoys//var/tmp/from_scwrl_925170869_b.pdb.gz for input Trying /var/tmp/from_scwrl_925170869_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_925170869_b.pdb or /var/tmp/from_scwrl_925170869_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_925170869_a.pdb or decoys//var/tmp/from_scwrl_925170869_a.pdb.gz for input Trying /var/tmp/from_scwrl_925170869_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_925170869_a.pdb or /var/tmp/from_scwrl_925170869_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_925170869.pdb or /var/tmp/from_scwrl_925170869_b.pdb or /var/tmp/from_scwrl_925170869_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 ; scwrl3 -i /var/tmp/to_scwrl_1849948015.pdb -s /var/tmp/to_scwrl_1849948015.seq -o /var/tmp/from_scwrl_1849948015.pdb > /var/tmp/scwrl_1849948015.log Error: Couldn't open file /var/tmp/from_scwrl_1849948015.pdb or /var/tmp/from_scwrl_1849948015.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1849948015_b.pdb or decoys//var/tmp/from_scwrl_1849948015_b.pdb.gz for input Trying /var/tmp/from_scwrl_1849948015_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1849948015_b.pdb or /var/tmp/from_scwrl_1849948015_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1849948015_a.pdb or decoys//var/tmp/from_scwrl_1849948015_a.pdb.gz for input Trying /var/tmp/from_scwrl_1849948015_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1849948015_a.pdb or /var/tmp/from_scwrl_1849948015_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1849948015.pdb or /var/tmp/from_scwrl_1849948015_b.pdb or /var/tmp/from_scwrl_1849948015_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 ; scwrl3 -i /var/tmp/to_scwrl_80683866.pdb -s /var/tmp/to_scwrl_80683866.seq -o /var/tmp/from_scwrl_80683866.pdb > /var/tmp/scwrl_80683866.log Error: Couldn't open file /var/tmp/from_scwrl_80683866.pdb or /var/tmp/from_scwrl_80683866.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_80683866_b.pdb or decoys//var/tmp/from_scwrl_80683866_b.pdb.gz for input Trying /var/tmp/from_scwrl_80683866_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_80683866_b.pdb or /var/tmp/from_scwrl_80683866_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_80683866_a.pdb or decoys//var/tmp/from_scwrl_80683866_a.pdb.gz for input Trying /var/tmp/from_scwrl_80683866_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_80683866_a.pdb or /var/tmp/from_scwrl_80683866_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_80683866.pdb or /var/tmp/from_scwrl_80683866_b.pdb or /var/tmp/from_scwrl_80683866_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 ; scwrl3 -i /var/tmp/to_scwrl_1508692830.pdb -s /var/tmp/to_scwrl_1508692830.seq -o /var/tmp/from_scwrl_1508692830.pdb > /var/tmp/scwrl_1508692830.log Error: Couldn't open file /var/tmp/from_scwrl_1508692830.pdb or /var/tmp/from_scwrl_1508692830.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1508692830_b.pdb or decoys//var/tmp/from_scwrl_1508692830_b.pdb.gz for input Trying /var/tmp/from_scwrl_1508692830_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1508692830_b.pdb or /var/tmp/from_scwrl_1508692830_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1508692830_a.pdb or decoys//var/tmp/from_scwrl_1508692830_a.pdb.gz for input Trying /var/tmp/from_scwrl_1508692830_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1508692830_a.pdb or /var/tmp/from_scwrl_1508692830_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1508692830.pdb or /var/tmp/from_scwrl_1508692830_b.pdb or /var/tmp/from_scwrl_1508692830_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 # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1668466819.pdb -s /var/tmp/to_scwrl_1668466819.seq -o /var/tmp/from_scwrl_1668466819.pdb > /var/tmp/scwrl_1668466819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1668466819.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 ; scwrl3 -i /var/tmp/to_scwrl_955637242.pdb -s /var/tmp/to_scwrl_955637242.seq -o /var/tmp/from_scwrl_955637242.pdb > /var/tmp/scwrl_955637242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_955637242.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 ; scwrl3 -i /var/tmp/to_scwrl_1666996397.pdb -s /var/tmp/to_scwrl_1666996397.seq -o /var/tmp/from_scwrl_1666996397.pdb > /var/tmp/scwrl_1666996397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666996397.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 ; scwrl3 -i /var/tmp/to_scwrl_186172966.pdb -s /var/tmp/to_scwrl_186172966.seq -o /var/tmp/from_scwrl_186172966.pdb > /var/tmp/scwrl_186172966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_186172966.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 ; scwrl3 -i /var/tmp/to_scwrl_112787344.pdb -s /var/tmp/to_scwrl_112787344.seq -o /var/tmp/from_scwrl_112787344.pdb > /var/tmp/scwrl_112787344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_112787344.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 ; scwrl3 -i /var/tmp/to_scwrl_1773993413.pdb -s /var/tmp/to_scwrl_1773993413.seq -o /var/tmp/from_scwrl_1773993413.pdb > /var/tmp/scwrl_1773993413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773993413.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 154 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_987701201.pdb -s /var/tmp/to_scwrl_987701201.seq -o /var/tmp/from_scwrl_987701201.pdb > /var/tmp/scwrl_987701201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_987701201.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 158 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_410911156.pdb -s /var/tmp/to_scwrl_410911156.seq -o /var/tmp/from_scwrl_410911156.pdb > /var/tmp/scwrl_410911156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410911156.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 114 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_545039409.pdb -s /var/tmp/to_scwrl_545039409.seq -o /var/tmp/from_scwrl_545039409.pdb > /var/tmp/scwrl_545039409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545039409.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 ; scwrl3 -i /var/tmp/to_scwrl_1429080586.pdb -s /var/tmp/to_scwrl_1429080586.seq -o /var/tmp/from_scwrl_1429080586.pdb > /var/tmp/scwrl_1429080586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429080586.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 154 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1396373072.pdb -s /var/tmp/to_scwrl_1396373072.seq -o /var/tmp/from_scwrl_1396373072.pdb > /var/tmp/scwrl_1396373072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1396373072.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 163 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_863323937.pdb -s /var/tmp/to_scwrl_863323937.seq -o /var/tmp/from_scwrl_863323937.pdb > /var/tmp/scwrl_863323937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_863323937.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 ; scwrl3 -i /var/tmp/to_scwrl_1841148977.pdb -s /var/tmp/to_scwrl_1841148977.seq -o /var/tmp/from_scwrl_1841148977.pdb > /var/tmp/scwrl_1841148977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841148977.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 ; scwrl3 -i /var/tmp/to_scwrl_1707477562.pdb -s /var/tmp/to_scwrl_1707477562.seq -o /var/tmp/from_scwrl_1707477562.pdb > /var/tmp/scwrl_1707477562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1707477562.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 124 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_107467303.pdb -s /var/tmp/to_scwrl_107467303.seq -o /var/tmp/from_scwrl_107467303.pdb > /var/tmp/scwrl_107467303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_107467303.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 ; scwrl3 -i /var/tmp/to_scwrl_1546789191.pdb -s /var/tmp/to_scwrl_1546789191.seq -o /var/tmp/from_scwrl_1546789191.pdb > /var/tmp/scwrl_1546789191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1546789191.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 ; scwrl3 -i /var/tmp/to_scwrl_2032028064.pdb -s /var/tmp/to_scwrl_2032028064.seq -o /var/tmp/from_scwrl_2032028064.pdb > /var/tmp/scwrl_2032028064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032028064.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 ; scwrl3 -i /var/tmp/to_scwrl_1877012987.pdb -s /var/tmp/to_scwrl_1877012987.seq -o /var/tmp/from_scwrl_1877012987.pdb > /var/tmp/scwrl_1877012987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877012987.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 ; scwrl3 -i /var/tmp/to_scwrl_844773467.pdb -s /var/tmp/to_scwrl_844773467.seq -o /var/tmp/from_scwrl_844773467.pdb > /var/tmp/scwrl_844773467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844773467.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 ; scwrl3 -i /var/tmp/to_scwrl_1456448346.pdb -s /var/tmp/to_scwrl_1456448346.seq -o /var/tmp/from_scwrl_1456448346.pdb > /var/tmp/scwrl_1456448346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1456448346.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 ; scwrl3 -i /var/tmp/to_scwrl_499231506.pdb -s /var/tmp/to_scwrl_499231506.seq -o /var/tmp/from_scwrl_499231506.pdb > /var/tmp/scwrl_499231506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499231506.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 ; scwrl3 -i /var/tmp/to_scwrl_889249430.pdb -s /var/tmp/to_scwrl_889249430.seq -o /var/tmp/from_scwrl_889249430.pdb > /var/tmp/scwrl_889249430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889249430.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 ; scwrl3 -i /var/tmp/to_scwrl_1152062401.pdb -s /var/tmp/to_scwrl_1152062401.seq -o /var/tmp/from_scwrl_1152062401.pdb > /var/tmp/scwrl_1152062401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152062401.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 ; scwrl3 -i /var/tmp/to_scwrl_215516934.pdb -s /var/tmp/to_scwrl_215516934.seq -o /var/tmp/from_scwrl_215516934.pdb > /var/tmp/scwrl_215516934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215516934.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 ; scwrl3 -i /var/tmp/to_scwrl_213516893.pdb -s /var/tmp/to_scwrl_213516893.seq -o /var/tmp/from_scwrl_213516893.pdb > /var/tmp/scwrl_213516893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213516893.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 36 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_907984372.pdb -s /var/tmp/to_scwrl_907984372.seq -o /var/tmp/from_scwrl_907984372.pdb > /var/tmp/scwrl_907984372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907984372.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 107 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_667972311.pdb -s /var/tmp/to_scwrl_667972311.seq -o /var/tmp/from_scwrl_667972311.pdb > /var/tmp/scwrl_667972311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667972311.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 36 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1138687762.pdb -s /var/tmp/to_scwrl_1138687762.seq -o /var/tmp/from_scwrl_1138687762.pdb > /var/tmp/scwrl_1138687762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1138687762.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 31 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_610448740.pdb -s /var/tmp/to_scwrl_610448740.seq -o /var/tmp/from_scwrl_610448740.pdb > /var/tmp/scwrl_610448740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_610448740.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 31 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_748656177.pdb -s /var/tmp/to_scwrl_748656177.seq -o /var/tmp/from_scwrl_748656177.pdb > /var/tmp/scwrl_748656177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_748656177.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 93 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_499896946.pdb -s /var/tmp/to_scwrl_499896946.seq -o /var/tmp/from_scwrl_499896946.pdb > /var/tmp/scwrl_499896946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499896946.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 # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_131431912.pdb -s /var/tmp/to_scwrl_131431912.seq -o /var/tmp/from_scwrl_131431912.pdb > /var/tmp/scwrl_131431912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_131431912.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 ; scwrl3 -i /var/tmp/to_scwrl_1704293419.pdb -s /var/tmp/to_scwrl_1704293419.seq -o /var/tmp/from_scwrl_1704293419.pdb > /var/tmp/scwrl_1704293419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704293419.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 ; scwrl3 -i /var/tmp/to_scwrl_19409696.pdb -s /var/tmp/to_scwrl_19409696.seq -o /var/tmp/from_scwrl_19409696.pdb > /var/tmp/scwrl_19409696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_19409696.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 ; scwrl3 -i /var/tmp/to_scwrl_317604878.pdb -s /var/tmp/to_scwrl_317604878.seq -o /var/tmp/from_scwrl_317604878.pdb > /var/tmp/scwrl_317604878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317604878.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 ; scwrl3 -i /var/tmp/to_scwrl_1817080763.pdb -s /var/tmp/to_scwrl_1817080763.seq -o /var/tmp/from_scwrl_1817080763.pdb > /var/tmp/scwrl_1817080763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1817080763.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 ; scwrl3 -i /var/tmp/to_scwrl_1793403109.pdb -s /var/tmp/to_scwrl_1793403109.seq -o /var/tmp/from_scwrl_1793403109.pdb > /var/tmp/scwrl_1793403109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793403109.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 ; scwrl3 -i /var/tmp/to_scwrl_1305306078.pdb -s /var/tmp/to_scwrl_1305306078.seq -o /var/tmp/from_scwrl_1305306078.pdb > /var/tmp/scwrl_1305306078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1305306078.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 ; scwrl3 -i /var/tmp/to_scwrl_80508272.pdb -s /var/tmp/to_scwrl_80508272.seq -o /var/tmp/from_scwrl_80508272.pdb > /var/tmp/scwrl_80508272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_80508272.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 ; scwrl3 -i /var/tmp/to_scwrl_190958871.pdb -s /var/tmp/to_scwrl_190958871.seq -o /var/tmp/from_scwrl_190958871.pdb > /var/tmp/scwrl_190958871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_190958871.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 ; scwrl3 -i /var/tmp/to_scwrl_586903019.pdb -s /var/tmp/to_scwrl_586903019.seq -o /var/tmp/from_scwrl_586903019.pdb > /var/tmp/scwrl_586903019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_586903019.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 154 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1476881345.pdb -s /var/tmp/to_scwrl_1476881345.seq -o /var/tmp/from_scwrl_1476881345.pdb > /var/tmp/scwrl_1476881345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1476881345.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 158 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1054282808.pdb -s /var/tmp/to_scwrl_1054282808.seq -o /var/tmp/from_scwrl_1054282808.pdb > /var/tmp/scwrl_1054282808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1054282808.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 153 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_280568349.pdb -s /var/tmp/to_scwrl_280568349.seq -o /var/tmp/from_scwrl_280568349.pdb > /var/tmp/scwrl_280568349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_280568349.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1036875261.pdb -s /var/tmp/to_scwrl_1036875261.seq -o /var/tmp/from_scwrl_1036875261.pdb > /var/tmp/scwrl_1036875261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1036875261.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 93 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1161750110.pdb -s /var/tmp/to_scwrl_1161750110.seq -o /var/tmp/from_scwrl_1161750110.pdb > /var/tmp/scwrl_1161750110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1161750110.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 70 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1827357540.pdb -s /var/tmp/to_scwrl_1827357540.seq -o /var/tmp/from_scwrl_1827357540.pdb > /var/tmp/scwrl_1827357540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1827357540.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 ; scwrl3 -i /var/tmp/to_scwrl_921419679.pdb -s /var/tmp/to_scwrl_921419679.seq -o /var/tmp/from_scwrl_921419679.pdb > /var/tmp/scwrl_921419679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_921419679.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 ; scwrl3 -i /var/tmp/to_scwrl_891279452.pdb -s /var/tmp/to_scwrl_891279452.seq -o /var/tmp/from_scwrl_891279452.pdb > /var/tmp/scwrl_891279452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_891279452.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 ; scwrl3 -i /var/tmp/to_scwrl_524647360.pdb -s /var/tmp/to_scwrl_524647360.seq -o /var/tmp/from_scwrl_524647360.pdb > /var/tmp/scwrl_524647360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_524647360.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 93 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_230384378.pdb -s /var/tmp/to_scwrl_230384378.seq -o /var/tmp/from_scwrl_230384378.pdb > /var/tmp/scwrl_230384378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230384378.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 ; scwrl3 -i /var/tmp/to_scwrl_1390510957.pdb -s /var/tmp/to_scwrl_1390510957.seq -o /var/tmp/from_scwrl_1390510957.pdb > /var/tmp/scwrl_1390510957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1390510957.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 ; scwrl3 -i /var/tmp/to_scwrl_1413896789.pdb -s /var/tmp/to_scwrl_1413896789.seq -o /var/tmp/from_scwrl_1413896789.pdb > /var/tmp/scwrl_1413896789.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413896789.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 ; scwrl3 -i /var/tmp/to_scwrl_1382446779.pdb -s /var/tmp/to_scwrl_1382446779.seq -o /var/tmp/from_scwrl_1382446779.pdb > /var/tmp/scwrl_1382446779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382446779.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 ; scwrl3 -i /var/tmp/to_scwrl_1606027891.pdb -s /var/tmp/to_scwrl_1606027891.seq -o /var/tmp/from_scwrl_1606027891.pdb > /var/tmp/scwrl_1606027891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1606027891.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 ; scwrl3 -i /var/tmp/to_scwrl_1627413683.pdb -s /var/tmp/to_scwrl_1627413683.seq -o /var/tmp/from_scwrl_1627413683.pdb > /var/tmp/scwrl_1627413683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1627413683.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 ; scwrl3 -i /var/tmp/to_scwrl_142947504.pdb -s /var/tmp/to_scwrl_142947504.seq -o /var/tmp/from_scwrl_142947504.pdb > /var/tmp/scwrl_142947504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142947504.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 ; scwrl3 -i /var/tmp/to_scwrl_126516556.pdb -s /var/tmp/to_scwrl_126516556.seq -o /var/tmp/from_scwrl_126516556.pdb > /var/tmp/scwrl_126516556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_126516556.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 69 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_618617799.pdb -s /var/tmp/to_scwrl_618617799.seq -o /var/tmp/from_scwrl_618617799.pdb > /var/tmp/scwrl_618617799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618617799.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 64 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_753396244.pdb -s /var/tmp/to_scwrl_753396244.seq -o /var/tmp/from_scwrl_753396244.pdb > /var/tmp/scwrl_753396244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_753396244.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 115 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_875172733.pdb -s /var/tmp/to_scwrl_875172733.seq -o /var/tmp/from_scwrl_875172733.pdb > /var/tmp/scwrl_875172733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875172733.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 ; scwrl3 -i /var/tmp/to_scwrl_1118514744.pdb -s /var/tmp/to_scwrl_1118514744.seq -o /var/tmp/from_scwrl_1118514744.pdb > /var/tmp/scwrl_1118514744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1118514744.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 ; scwrl3 -i /var/tmp/to_scwrl_884828156.pdb -s /var/tmp/to_scwrl_884828156.seq -o /var/tmp/from_scwrl_884828156.pdb > /var/tmp/scwrl_884828156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_884828156.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 124 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_431982505.pdb -s /var/tmp/to_scwrl_431982505.seq -o /var/tmp/from_scwrl_431982505.pdb > /var/tmp/scwrl_431982505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431982505.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 93 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1137924440.pdb -s /var/tmp/to_scwrl_1137924440.seq -o /var/tmp/from_scwrl_1137924440.pdb > /var/tmp/scwrl_1137924440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137924440.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 13 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1202433034.pdb -s /var/tmp/to_scwrl_1202433034.seq -o /var/tmp/from_scwrl_1202433034.pdb > /var/tmp/scwrl_1202433034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1202433034.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 ; scwrl3 -i /var/tmp/to_scwrl_101579621.pdb -s /var/tmp/to_scwrl_101579621.seq -o /var/tmp/from_scwrl_101579621.pdb > /var/tmp/scwrl_101579621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101579621.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 27 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_783843903.pdb -s /var/tmp/to_scwrl_783843903.seq -o /var/tmp/from_scwrl_783843903.pdb > /var/tmp/scwrl_783843903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_783843903.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 124 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_360255466.pdb -s /var/tmp/to_scwrl_360255466.seq -o /var/tmp/from_scwrl_360255466.pdb > /var/tmp/scwrl_360255466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_360255466.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 54 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_182087894.pdb -s /var/tmp/to_scwrl_182087894.seq -o /var/tmp/from_scwrl_182087894.pdb > /var/tmp/scwrl_182087894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_182087894.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 93 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_974802775.pdb -s /var/tmp/to_scwrl_974802775.seq -o /var/tmp/from_scwrl_974802775.pdb > /var/tmp/scwrl_974802775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_974802775.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 ; scwrl3 -i /var/tmp/to_scwrl_947158485.pdb -s /var/tmp/to_scwrl_947158485.seq -o /var/tmp/from_scwrl_947158485.pdb > /var/tmp/scwrl_947158485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_947158485.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 ; scwrl3 -i /var/tmp/to_scwrl_1658969239.pdb -s /var/tmp/to_scwrl_1658969239.seq -o /var/tmp/from_scwrl_1658969239.pdb > /var/tmp/scwrl_1658969239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1658969239.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 ; scwrl3 -i /var/tmp/to_scwrl_2029085582.pdb -s /var/tmp/to_scwrl_2029085582.seq -o /var/tmp/from_scwrl_2029085582.pdb > /var/tmp/scwrl_2029085582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029085582.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 ; scwrl3 -i /var/tmp/to_scwrl_1227726833.pdb -s /var/tmp/to_scwrl_1227726833.seq -o /var/tmp/from_scwrl_1227726833.pdb > /var/tmp/scwrl_1227726833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1227726833.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 170 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_548360853.pdb -s /var/tmp/to_scwrl_548360853.seq -o /var/tmp/from_scwrl_548360853.pdb > /var/tmp/scwrl_548360853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_548360853.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 69 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1043352047.pdb -s /var/tmp/to_scwrl_1043352047.seq -o /var/tmp/from_scwrl_1043352047.pdb > /var/tmp/scwrl_1043352047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1043352047.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 ; scwrl3 -i /var/tmp/to_scwrl_907600727.pdb -s /var/tmp/to_scwrl_907600727.seq -o /var/tmp/from_scwrl_907600727.pdb > /var/tmp/scwrl_907600727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907600727.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 ; scwrl3 -i /var/tmp/to_scwrl_1469780531.pdb -s /var/tmp/to_scwrl_1469780531.seq -o /var/tmp/from_scwrl_1469780531.pdb > /var/tmp/scwrl_1469780531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469780531.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 ; scwrl3 -i /var/tmp/to_scwrl_1934631498.pdb -s /var/tmp/to_scwrl_1934631498.seq -o /var/tmp/from_scwrl_1934631498.pdb > /var/tmp/scwrl_1934631498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934631498.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 ; scwrl3 -i /var/tmp/to_scwrl_1432248087.pdb -s /var/tmp/to_scwrl_1432248087.seq -o /var/tmp/from_scwrl_1432248087.pdb > /var/tmp/scwrl_1432248087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432248087.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 ; scwrl3 -i /var/tmp/to_scwrl_1700164909.pdb -s /var/tmp/to_scwrl_1700164909.seq -o /var/tmp/from_scwrl_1700164909.pdb > /var/tmp/scwrl_1700164909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700164909.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 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1177658808.pdb -s /var/tmp/to_scwrl_1177658808.seq -o /var/tmp/from_scwrl_1177658808.pdb > /var/tmp/scwrl_1177658808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177658808.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 58 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_698661230.pdb -s /var/tmp/to_scwrl_698661230.seq -o /var/tmp/from_scwrl_698661230.pdb > /var/tmp/scwrl_698661230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_698661230.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_935128043.pdb -s /var/tmp/to_scwrl_935128043.seq -o /var/tmp/from_scwrl_935128043.pdb > /var/tmp/scwrl_935128043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_935128043.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 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_636203053.pdb -s /var/tmp/to_scwrl_636203053.seq -o /var/tmp/from_scwrl_636203053.pdb > /var/tmp/scwrl_636203053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_636203053.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 101 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_178591266.pdb -s /var/tmp/to_scwrl_178591266.seq -o /var/tmp/from_scwrl_178591266.pdb > /var/tmp/scwrl_178591266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_178591266.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 100 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1078075546.pdb -s /var/tmp/to_scwrl_1078075546.seq -o /var/tmp/from_scwrl_1078075546.pdb > /var/tmp/scwrl_1078075546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1078075546.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 ; scwrl3 -i /var/tmp/to_scwrl_762719609.pdb -s /var/tmp/to_scwrl_762719609.seq -o /var/tmp/from_scwrl_762719609.pdb > /var/tmp/scwrl_762719609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_762719609.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 64 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_797209065.pdb -s /var/tmp/to_scwrl_797209065.seq -o /var/tmp/from_scwrl_797209065.pdb > /var/tmp/scwrl_797209065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_797209065.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 ; scwrl3 -i /var/tmp/to_scwrl_1831471791.pdb -s /var/tmp/to_scwrl_1831471791.seq -o /var/tmp/from_scwrl_1831471791.pdb > /var/tmp/scwrl_1831471791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1831471791.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 101 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1637892342.pdb -s /var/tmp/to_scwrl_1637892342.seq -o /var/tmp/from_scwrl_1637892342.pdb > /var/tmp/scwrl_1637892342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1637892342.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 ; scwrl3 -i /var/tmp/to_scwrl_1915723809.pdb -s /var/tmp/to_scwrl_1915723809.seq -o /var/tmp/from_scwrl_1915723809.pdb > /var/tmp/scwrl_1915723809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915723809.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 ; scwrl3 -i /var/tmp/to_scwrl_568816300.pdb -s /var/tmp/to_scwrl_568816300.seq -o /var/tmp/from_scwrl_568816300.pdb > /var/tmp/scwrl_568816300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_568816300.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 ; scwrl3 -i /var/tmp/to_scwrl_2069874847.pdb -s /var/tmp/to_scwrl_2069874847.seq -o /var/tmp/from_scwrl_2069874847.pdb > /var/tmp/scwrl_2069874847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069874847.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 ; scwrl3 -i /var/tmp/to_scwrl_906164603.pdb -s /var/tmp/to_scwrl_906164603.seq -o /var/tmp/from_scwrl_906164603.pdb > /var/tmp/scwrl_906164603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906164603.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 ; scwrl3 -i /var/tmp/to_scwrl_1771249334.pdb -s /var/tmp/to_scwrl_1771249334.seq -o /var/tmp/from_scwrl_1771249334.pdb > /var/tmp/scwrl_1771249334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771249334.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 ; scwrl3 -i /var/tmp/to_scwrl_23970822.pdb -s /var/tmp/to_scwrl_23970822.seq -o /var/tmp/from_scwrl_23970822.pdb > /var/tmp/scwrl_23970822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_23970822.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 100 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1690008506.pdb -s /var/tmp/to_scwrl_1690008506.seq -o /var/tmp/from_scwrl_1690008506.pdb > /var/tmp/scwrl_1690008506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690008506.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 100 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_2131504801.pdb -s /var/tmp/to_scwrl_2131504801.seq -o /var/tmp/from_scwrl_2131504801.pdb > /var/tmp/scwrl_2131504801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131504801.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 100 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_206058716.pdb -s /var/tmp/to_scwrl_206058716.seq -o /var/tmp/from_scwrl_206058716.pdb > /var/tmp/scwrl_206058716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_206058716.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 100 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_517327634.pdb -s /var/tmp/to_scwrl_517327634.seq -o /var/tmp/from_scwrl_517327634.pdb > /var/tmp/scwrl_517327634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_517327634.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 ; scwrl3 -i /var/tmp/to_scwrl_931179639.pdb -s /var/tmp/to_scwrl_931179639.seq -o /var/tmp/from_scwrl_931179639.pdb > /var/tmp/scwrl_931179639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_931179639.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 64 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1865027955.pdb -s /var/tmp/to_scwrl_1865027955.seq -o /var/tmp/from_scwrl_1865027955.pdb > /var/tmp/scwrl_1865027955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865027955.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 ; scwrl3 -i /var/tmp/to_scwrl_398929569.pdb -s /var/tmp/to_scwrl_398929569.seq -o /var/tmp/from_scwrl_398929569.pdb > /var/tmp/scwrl_398929569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398929569.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 ; scwrl3 -i /var/tmp/to_scwrl_11422826.pdb -s /var/tmp/to_scwrl_11422826.seq -o /var/tmp/from_scwrl_11422826.pdb > /var/tmp/scwrl_11422826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_11422826.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 ; scwrl3 -i /var/tmp/to_scwrl_265905161.pdb -s /var/tmp/to_scwrl_265905161.seq -o /var/tmp/from_scwrl_265905161.pdb > /var/tmp/scwrl_265905161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265905161.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 156 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1442281615.pdb -s /var/tmp/to_scwrl_1442281615.seq -o /var/tmp/from_scwrl_1442281615.pdb > /var/tmp/scwrl_1442281615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1442281615.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 58 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_919023553.pdb -s /var/tmp/to_scwrl_919023553.seq -o /var/tmp/from_scwrl_919023553.pdb > /var/tmp/scwrl_919023553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_919023553.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 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1735685693.pdb -s /var/tmp/to_scwrl_1735685693.seq -o /var/tmp/from_scwrl_1735685693.pdb > /var/tmp/scwrl_1735685693.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1735685693.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 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1229429466.pdb -s /var/tmp/to_scwrl_1229429466.seq -o /var/tmp/from_scwrl_1229429466.pdb > /var/tmp/scwrl_1229429466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229429466.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 53 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_203787993.pdb -s /var/tmp/to_scwrl_203787993.seq -o /var/tmp/from_scwrl_203787993.pdb > /var/tmp/scwrl_203787993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_203787993.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 56 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1288366955.pdb -s /var/tmp/to_scwrl_1288366955.seq -o /var/tmp/from_scwrl_1288366955.pdb > /var/tmp/scwrl_1288366955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288366955.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 # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_259604628.pdb -s /var/tmp/to_scwrl_259604628.seq -o /var/tmp/from_scwrl_259604628.pdb > /var/tmp/scwrl_259604628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_259604628.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 ; scwrl3 -i /var/tmp/to_scwrl_902449224.pdb -s /var/tmp/to_scwrl_902449224.seq -o /var/tmp/from_scwrl_902449224.pdb > /var/tmp/scwrl_902449224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902449224.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 ; scwrl3 -i /var/tmp/to_scwrl_76011351.pdb -s /var/tmp/to_scwrl_76011351.seq -o /var/tmp/from_scwrl_76011351.pdb > /var/tmp/scwrl_76011351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_76011351.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 ; scwrl3 -i /var/tmp/to_scwrl_895807682.pdb -s /var/tmp/to_scwrl_895807682.seq -o /var/tmp/from_scwrl_895807682.pdb > /var/tmp/scwrl_895807682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_895807682.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 64 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1081040489.pdb -s /var/tmp/to_scwrl_1081040489.seq -o /var/tmp/from_scwrl_1081040489.pdb > /var/tmp/scwrl_1081040489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081040489.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 100 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1154086898.pdb -s /var/tmp/to_scwrl_1154086898.seq -o /var/tmp/from_scwrl_1154086898.pdb > /var/tmp/scwrl_1154086898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154086898.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 100 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1658527290.pdb -s /var/tmp/to_scwrl_1658527290.seq -o /var/tmp/from_scwrl_1658527290.pdb > /var/tmp/scwrl_1658527290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1658527290.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 100 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1878249555.pdb -s /var/tmp/to_scwrl_1878249555.seq -o /var/tmp/from_scwrl_1878249555.pdb > /var/tmp/scwrl_1878249555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878249555.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 100 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_838075043.pdb -s /var/tmp/to_scwrl_838075043.seq -o /var/tmp/from_scwrl_838075043.pdb > /var/tmp/scwrl_838075043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838075043.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 100 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1148935985.pdb -s /var/tmp/to_scwrl_1148935985.seq -o /var/tmp/from_scwrl_1148935985.pdb > /var/tmp/scwrl_1148935985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148935985.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 ; scwrl3 -i /var/tmp/to_scwrl_1646489717.pdb -s /var/tmp/to_scwrl_1646489717.seq -o /var/tmp/from_scwrl_1646489717.pdb > /var/tmp/scwrl_1646489717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1646489717.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 101 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1406891342.pdb -s /var/tmp/to_scwrl_1406891342.seq -o /var/tmp/from_scwrl_1406891342.pdb > /var/tmp/scwrl_1406891342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406891342.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 101 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1071327187.pdb -s /var/tmp/to_scwrl_1071327187.seq -o /var/tmp/from_scwrl_1071327187.pdb > /var/tmp/scwrl_1071327187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071327187.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 124 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_405170674.pdb -s /var/tmp/to_scwrl_405170674.seq -o /var/tmp/from_scwrl_405170674.pdb > /var/tmp/scwrl_405170674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_405170674.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 101 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1030657031.pdb -s /var/tmp/to_scwrl_1030657031.seq -o /var/tmp/from_scwrl_1030657031.pdb > /var/tmp/scwrl_1030657031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030657031.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 ; scwrl3 -i /var/tmp/to_scwrl_1095298008.pdb -s /var/tmp/to_scwrl_1095298008.seq -o /var/tmp/from_scwrl_1095298008.pdb > /var/tmp/scwrl_1095298008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1095298008.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 ; scwrl3 -i /var/tmp/to_scwrl_2095179180.pdb -s /var/tmp/to_scwrl_2095179180.seq -o /var/tmp/from_scwrl_2095179180.pdb > /var/tmp/scwrl_2095179180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095179180.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 ; scwrl3 -i /var/tmp/to_scwrl_1014678185.pdb -s /var/tmp/to_scwrl_1014678185.seq -o /var/tmp/from_scwrl_1014678185.pdb > /var/tmp/scwrl_1014678185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014678185.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 ; scwrl3 -i /var/tmp/to_scwrl_1301356724.pdb -s /var/tmp/to_scwrl_1301356724.seq -o /var/tmp/from_scwrl_1301356724.pdb > /var/tmp/scwrl_1301356724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1301356724.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 ; scwrl3 -i /var/tmp/to_scwrl_465023167.pdb -s /var/tmp/to_scwrl_465023167.seq -o /var/tmp/from_scwrl_465023167.pdb > /var/tmp/scwrl_465023167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465023167.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 ; scwrl3 -i /var/tmp/to_scwrl_1945857823.pdb -s /var/tmp/to_scwrl_1945857823.seq -o /var/tmp/from_scwrl_1945857823.pdb > /var/tmp/scwrl_1945857823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1945857823.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 Skipped atom 103, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # 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 ; scwrl3 -i /var/tmp/to_scwrl_1018901033.pdb -s /var/tmp/to_scwrl_1018901033.seq -o /var/tmp/from_scwrl_1018901033.pdb > /var/tmp/scwrl_1018901033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018901033.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 ; scwrl3 -i /var/tmp/to_scwrl_863952736.pdb -s /var/tmp/to_scwrl_863952736.seq -o /var/tmp/from_scwrl_863952736.pdb > /var/tmp/scwrl_863952736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_863952736.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 ; scwrl3 -i /var/tmp/to_scwrl_1957280649.pdb -s /var/tmp/to_scwrl_1957280649.seq -o /var/tmp/from_scwrl_1957280649.pdb > /var/tmp/scwrl_1957280649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1957280649.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 ; scwrl3 -i /var/tmp/to_scwrl_1284806193.pdb -s /var/tmp/to_scwrl_1284806193.seq -o /var/tmp/from_scwrl_1284806193.pdb > /var/tmp/scwrl_1284806193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284806193.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 ; scwrl3 -i /var/tmp/to_scwrl_158750705.pdb -s /var/tmp/to_scwrl_158750705.seq -o /var/tmp/from_scwrl_158750705.pdb > /var/tmp/scwrl_158750705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158750705.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 ; scwrl3 -i /var/tmp/to_scwrl_728820556.pdb -s /var/tmp/to_scwrl_728820556.seq -o /var/tmp/from_scwrl_728820556.pdb > /var/tmp/scwrl_728820556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728820556.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 ; scwrl3 -i /var/tmp/to_scwrl_873008240.pdb -s /var/tmp/to_scwrl_873008240.seq -o /var/tmp/from_scwrl_873008240.pdb > /var/tmp/scwrl_873008240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_873008240.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 ; scwrl3 -i /var/tmp/to_scwrl_1388180171.pdb -s /var/tmp/to_scwrl_1388180171.seq -o /var/tmp/from_scwrl_1388180171.pdb > /var/tmp/scwrl_1388180171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1388180171.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 ; scwrl3 -i /var/tmp/to_scwrl_932608549.pdb -s /var/tmp/to_scwrl_932608549.seq -o /var/tmp/from_scwrl_932608549.pdb > /var/tmp/scwrl_932608549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_932608549.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 ; scwrl3 -i /var/tmp/to_scwrl_13891549.pdb -s /var/tmp/to_scwrl_13891549.seq -o /var/tmp/from_scwrl_13891549.pdb > /var/tmp/scwrl_13891549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13891549.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 92 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1647784800.pdb -s /var/tmp/to_scwrl_1647784800.seq -o /var/tmp/from_scwrl_1647784800.pdb > /var/tmp/scwrl_1647784800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1647784800.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 97 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1835057772.pdb -s /var/tmp/to_scwrl_1835057772.seq -o /var/tmp/from_scwrl_1835057772.pdb > /var/tmp/scwrl_1835057772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1835057772.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 ; scwrl3 -i /var/tmp/to_scwrl_89902900.pdb -s /var/tmp/to_scwrl_89902900.seq -o /var/tmp/from_scwrl_89902900.pdb > /var/tmp/scwrl_89902900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89902900.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 92 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_396108835.pdb -s /var/tmp/to_scwrl_396108835.seq -o /var/tmp/from_scwrl_396108835.pdb > /var/tmp/scwrl_396108835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_396108835.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 ; scwrl3 -i /var/tmp/to_scwrl_768614616.pdb -s /var/tmp/to_scwrl_768614616.seq -o /var/tmp/from_scwrl_768614616.pdb > /var/tmp/scwrl_768614616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_768614616.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 92 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1243989798.pdb -s /var/tmp/to_scwrl_1243989798.seq -o /var/tmp/from_scwrl_1243989798.pdb > /var/tmp/scwrl_1243989798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1243989798.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 ; scwrl3 -i /var/tmp/to_scwrl_2054636125.pdb -s /var/tmp/to_scwrl_2054636125.seq -o /var/tmp/from_scwrl_2054636125.pdb > /var/tmp/scwrl_2054636125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054636125.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 97 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_499380524.pdb -s /var/tmp/to_scwrl_499380524.seq -o /var/tmp/from_scwrl_499380524.pdb > /var/tmp/scwrl_499380524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499380524.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 112 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_2082064841.pdb -s /var/tmp/to_scwrl_2082064841.seq -o /var/tmp/from_scwrl_2082064841.pdb > /var/tmp/scwrl_2082064841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2082064841.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 97 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1056088465.pdb -s /var/tmp/to_scwrl_1056088465.seq -o /var/tmp/from_scwrl_1056088465.pdb > /var/tmp/scwrl_1056088465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1056088465.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 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_2145870241.pdb -s /var/tmp/to_scwrl_2145870241.seq -o /var/tmp/from_scwrl_2145870241.pdb > /var/tmp/scwrl_2145870241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2145870241.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 97 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1341472537.pdb -s /var/tmp/to_scwrl_1341472537.seq -o /var/tmp/from_scwrl_1341472537.pdb > /var/tmp/scwrl_1341472537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341472537.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_2127415651.pdb -s /var/tmp/to_scwrl_2127415651.seq -o /var/tmp/from_scwrl_2127415651.pdb > /var/tmp/scwrl_2127415651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2127415651.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 124 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_403557268.pdb -s /var/tmp/to_scwrl_403557268.seq -o /var/tmp/from_scwrl_403557268.pdb > /var/tmp/scwrl_403557268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403557268.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 ; scwrl3 -i /var/tmp/to_scwrl_224645921.pdb -s /var/tmp/to_scwrl_224645921.seq -o /var/tmp/from_scwrl_224645921.pdb > /var/tmp/scwrl_224645921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224645921.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 ; scwrl3 -i /var/tmp/to_scwrl_1075230012.pdb -s /var/tmp/to_scwrl_1075230012.seq -o /var/tmp/from_scwrl_1075230012.pdb > /var/tmp/scwrl_1075230012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1075230012.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 ; scwrl3 -i /var/tmp/to_scwrl_351252801.pdb -s /var/tmp/to_scwrl_351252801.seq -o /var/tmp/from_scwrl_351252801.pdb > /var/tmp/scwrl_351252801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_351252801.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 ; scwrl3 -i /var/tmp/to_scwrl_1239324105.pdb -s /var/tmp/to_scwrl_1239324105.seq -o /var/tmp/from_scwrl_1239324105.pdb > /var/tmp/scwrl_1239324105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1239324105.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 ; scwrl3 -i /var/tmp/to_scwrl_229103090.pdb -s /var/tmp/to_scwrl_229103090.seq -o /var/tmp/from_scwrl_229103090.pdb > /var/tmp/scwrl_229103090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_229103090.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 ; scwrl3 -i /var/tmp/to_scwrl_816275968.pdb -s /var/tmp/to_scwrl_816275968.seq -o /var/tmp/from_scwrl_816275968.pdb > /var/tmp/scwrl_816275968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_816275968.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 ; scwrl3 -i /var/tmp/to_scwrl_1037698282.pdb -s /var/tmp/to_scwrl_1037698282.seq -o /var/tmp/from_scwrl_1037698282.pdb > /var/tmp/scwrl_1037698282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037698282.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 ; scwrl3 -i /var/tmp/to_scwrl_1248004122.pdb -s /var/tmp/to_scwrl_1248004122.seq -o /var/tmp/from_scwrl_1248004122.pdb > /var/tmp/scwrl_1248004122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1248004122.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 ; scwrl3 -i /var/tmp/to_scwrl_1680228704.pdb -s /var/tmp/to_scwrl_1680228704.seq -o /var/tmp/from_scwrl_1680228704.pdb > /var/tmp/scwrl_1680228704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680228704.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 ; scwrl3 -i /var/tmp/to_scwrl_847495285.pdb -s /var/tmp/to_scwrl_847495285.seq -o /var/tmp/from_scwrl_847495285.pdb > /var/tmp/scwrl_847495285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847495285.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 ; scwrl3 -i /var/tmp/to_scwrl_385326669.pdb -s /var/tmp/to_scwrl_385326669.seq -o /var/tmp/from_scwrl_385326669.pdb > /var/tmp/scwrl_385326669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385326669.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 # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1838979409.pdb -s /var/tmp/to_scwrl_1838979409.seq -o /var/tmp/from_scwrl_1838979409.pdb > /var/tmp/scwrl_1838979409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1838979409.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 # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1576315840.pdb -s /var/tmp/to_scwrl_1576315840.seq -o /var/tmp/from_scwrl_1576315840.pdb > /var/tmp/scwrl_1576315840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1576315840.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 44 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1258334909.pdb -s /var/tmp/to_scwrl_1258334909.seq -o /var/tmp/from_scwrl_1258334909.pdb > /var/tmp/scwrl_1258334909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258334909.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 ; scwrl3 -i /var/tmp/to_scwrl_1079675933.pdb -s /var/tmp/to_scwrl_1079675933.seq -o /var/tmp/from_scwrl_1079675933.pdb > /var/tmp/scwrl_1079675933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079675933.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 115 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_361440742.pdb -s /var/tmp/to_scwrl_361440742.seq -o /var/tmp/from_scwrl_361440742.pdb > /var/tmp/scwrl_361440742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_361440742.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 ; scwrl3 -i /var/tmp/to_scwrl_1272226458.pdb -s /var/tmp/to_scwrl_1272226458.seq -o /var/tmp/from_scwrl_1272226458.pdb > /var/tmp/scwrl_1272226458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1272226458.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 ; scwrl3 -i /var/tmp/to_scwrl_579977087.pdb -s /var/tmp/to_scwrl_579977087.seq -o /var/tmp/from_scwrl_579977087.pdb > /var/tmp/scwrl_579977087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579977087.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 ; scwrl3 -i /var/tmp/to_scwrl_49014868.pdb -s /var/tmp/to_scwrl_49014868.seq -o /var/tmp/from_scwrl_49014868.pdb > /var/tmp/scwrl_49014868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_49014868.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 ; scwrl3 -i /var/tmp/to_scwrl_1362129358.pdb -s /var/tmp/to_scwrl_1362129358.seq -o /var/tmp/from_scwrl_1362129358.pdb > /var/tmp/scwrl_1362129358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1362129358.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 ; scwrl3 -i /var/tmp/to_scwrl_976085922.pdb -s /var/tmp/to_scwrl_976085922.seq -o /var/tmp/from_scwrl_976085922.pdb > /var/tmp/scwrl_976085922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_976085922.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 ; scwrl3 -i /var/tmp/to_scwrl_817629484.pdb -s /var/tmp/to_scwrl_817629484.seq -o /var/tmp/from_scwrl_817629484.pdb > /var/tmp/scwrl_817629484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_817629484.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 ; scwrl3 -i /var/tmp/to_scwrl_458635511.pdb -s /var/tmp/to_scwrl_458635511.seq -o /var/tmp/from_scwrl_458635511.pdb > /var/tmp/scwrl_458635511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_458635511.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 ; scwrl3 -i /var/tmp/to_scwrl_883238401.pdb -s /var/tmp/to_scwrl_883238401.seq -o /var/tmp/from_scwrl_883238401.pdb > /var/tmp/scwrl_883238401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_883238401.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 ; scwrl3 -i /var/tmp/to_scwrl_1317010007.pdb -s /var/tmp/to_scwrl_1317010007.seq -o /var/tmp/from_scwrl_1317010007.pdb > /var/tmp/scwrl_1317010007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1317010007.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 ; scwrl3 -i /var/tmp/to_scwrl_393216705.pdb -s /var/tmp/to_scwrl_393216705.seq -o /var/tmp/from_scwrl_393216705.pdb > /var/tmp/scwrl_393216705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_393216705.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 ; scwrl3 -i /var/tmp/to_scwrl_1939326865.pdb -s /var/tmp/to_scwrl_1939326865.seq -o /var/tmp/from_scwrl_1939326865.pdb > /var/tmp/scwrl_1939326865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939326865.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 ; scwrl3 -i /var/tmp/to_scwrl_1315396601.pdb -s /var/tmp/to_scwrl_1315396601.seq -o /var/tmp/from_scwrl_1315396601.pdb > /var/tmp/scwrl_1315396601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315396601.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 124 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1734689242.pdb -s /var/tmp/to_scwrl_1734689242.seq -o /var/tmp/from_scwrl_1734689242.pdb > /var/tmp/scwrl_1734689242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734689242.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 124 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1919258869.pdb -s /var/tmp/to_scwrl_1919258869.seq -o /var/tmp/from_scwrl_1919258869.pdb > /var/tmp/scwrl_1919258869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1919258869.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 124 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1718953870.pdb -s /var/tmp/to_scwrl_1718953870.seq -o /var/tmp/from_scwrl_1718953870.pdb > /var/tmp/scwrl_1718953870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718953870.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 124 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_1959335163.pdb -s /var/tmp/to_scwrl_1959335163.seq -o /var/tmp/from_scwrl_1959335163.pdb > /var/tmp/scwrl_1959335163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1959335163.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 ; scwrl3 -i /var/tmp/to_scwrl_847005235.pdb -s /var/tmp/to_scwrl_847005235.seq -o /var/tmp/from_scwrl_847005235.pdb > /var/tmp/scwrl_847005235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847005235.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 ; scwrl3 -i /var/tmp/to_scwrl_2070206671.pdb -s /var/tmp/to_scwrl_2070206671.seq -o /var/tmp/from_scwrl_2070206671.pdb > /var/tmp/scwrl_2070206671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2070206671.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 ; scwrl3 -i /var/tmp/to_scwrl_1051175622.pdb -s /var/tmp/to_scwrl_1051175622.seq -o /var/tmp/from_scwrl_1051175622.pdb > /var/tmp/scwrl_1051175622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1051175622.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 ; scwrl3 -i /var/tmp/to_scwrl_1076108324.pdb -s /var/tmp/to_scwrl_1076108324.seq -o /var/tmp/from_scwrl_1076108324.pdb > /var/tmp/scwrl_1076108324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1076108324.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: atoms too close: (T0346)Y160.O and (T0346)A161.N only 0.000 apart, marking (T0346)A161.N as missing WARNING: atoms too close: (T0346)C168.O and (T0346)G169.N only 0.000 apart, marking (T0346)G169.N as missing # 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 ; scwrl3 -i /var/tmp/to_scwrl_738998993.pdb -s /var/tmp/to_scwrl_738998993.seq -o /var/tmp/from_scwrl_738998993.pdb > /var/tmp/scwrl_738998993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738998993.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 112 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_2088873904.pdb -s /var/tmp/to_scwrl_2088873904.seq -o /var/tmp/from_scwrl_2088873904.pdb > /var/tmp/scwrl_2088873904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2088873904.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 ; scwrl3 -i /var/tmp/to_scwrl_176628800.pdb -s /var/tmp/to_scwrl_176628800.seq -o /var/tmp/from_scwrl_176628800.pdb > /var/tmp/scwrl_176628800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176628800.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 ; scwrl3 -i /var/tmp/to_scwrl_271744050.pdb -s /var/tmp/to_scwrl_271744050.seq -o /var/tmp/from_scwrl_271744050.pdb > /var/tmp/scwrl_271744050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271744050.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 ; scwrl3 -i /var/tmp/to_scwrl_788885542.pdb -s /var/tmp/to_scwrl_788885542.seq -o /var/tmp/from_scwrl_788885542.pdb > /var/tmp/scwrl_788885542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788885542.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 54 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 155 ; scwrl3 -i /var/tmp/to_scwrl_561955469.pdb -s /var/tmp/to_scwrl_561955469.seq -o /var/tmp/from_scwrl_561955469.pdb > /var/tmp/scwrl_561955469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_561955469.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 ; scwrl3 -i /var/tmp/to_scwrl_2110723459.pdb -s /var/tmp/to_scwrl_2110723459.seq -o /var/tmp/from_scwrl_2110723459.pdb > /var/tmp/scwrl_2110723459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110723459.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 ; scwrl3 -i /var/tmp/to_scwrl_217717735.pdb -s /var/tmp/to_scwrl_217717735.seq -o /var/tmp/from_scwrl_217717735.pdb > /var/tmp/scwrl_217717735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_217717735.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 ; scwrl3 -i /var/tmp/to_scwrl_1820290378.pdb -s /var/tmp/to_scwrl_1820290378.seq -o /var/tmp/from_scwrl_1820290378.pdb > /var/tmp/scwrl_1820290378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1820290378.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 ; scwrl3 -i /var/tmp/to_scwrl_1042915746.pdb -s /var/tmp/to_scwrl_1042915746.seq -o /var/tmp/from_scwrl_1042915746.pdb > /var/tmp/scwrl_1042915746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1042915746.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 ; scwrl3 -i /var/tmp/to_scwrl_579158477.pdb -s /var/tmp/to_scwrl_579158477.seq -o /var/tmp/from_scwrl_579158477.pdb > /var/tmp/scwrl_579158477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579158477.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 ; scwrl3 -i /var/tmp/to_scwrl_945033190.pdb -s /var/tmp/to_scwrl_945033190.seq -o /var/tmp/from_scwrl_945033190.pdb > /var/tmp/scwrl_945033190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_945033190.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 ; scwrl3 -i /var/tmp/to_scwrl_1622892833.pdb -s /var/tmp/to_scwrl_1622892833.seq -o /var/tmp/from_scwrl_1622892833.pdb > /var/tmp/scwrl_1622892833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1622892833.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 ; scwrl3 -i /var/tmp/to_scwrl_628173345.pdb -s /var/tmp/to_scwrl_628173345.seq -o /var/tmp/from_scwrl_628173345.pdb > /var/tmp/scwrl_628173345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_628173345.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 ; scwrl3 -i /var/tmp/to_scwrl_159678902.pdb -s /var/tmp/to_scwrl_159678902.seq -o /var/tmp/from_scwrl_159678902.pdb > /var/tmp/scwrl_159678902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159678902.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 ; scwrl3 -i /var/tmp/to_scwrl_451495108.pdb -s /var/tmp/to_scwrl_451495108.seq -o /var/tmp/from_scwrl_451495108.pdb > /var/tmp/scwrl_451495108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_451495108.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 ; scwrl3 -i /var/tmp/to_scwrl_1445802828.pdb -s /var/tmp/to_scwrl_1445802828.seq -o /var/tmp/from_scwrl_1445802828.pdb > /var/tmp/scwrl_1445802828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1445802828.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 ; scwrl3 -i /var/tmp/to_scwrl_618314413.pdb -s /var/tmp/to_scwrl_618314413.seq -o /var/tmp/from_scwrl_618314413.pdb > /var/tmp/scwrl_618314413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618314413.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 36.536 sec, elapsed time= 297.166 sec. # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.anglevector.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 56.898 real_cost = -315.467 shub_TS1 costs 56.898 real_cost = -319.014 nFOLD_TS5-scwrl costs 131.367 real_cost = 361.812 nFOLD_TS5 costs 131.389 real_cost = 447.435 nFOLD_TS4-scwrl costs 115.374 real_cost = 384.078 nFOLD_TS4 costs 115.457 real_cost = 467.271 nFOLD_TS3-scwrl costs 76.060 real_cost = -90.971 nFOLD_TS3 costs 76.145 real_cost = -36.744 nFOLD_TS2-scwrl costs 62.942 real_cost = -87.080 nFOLD_TS2 costs 62.826 real_cost = 12.881 nFOLD_TS1-scwrl costs 56.740 real_cost = -278.140 nFOLD_TS1 costs 56.867 real_cost = -176.533 mGen-3D_TS1-scwrl costs 56.796 real_cost = -269.523 mGen-3D_TS1 costs 56.876 real_cost = -176.131 keasar-server_TS5-scwrl costs 60.205 real_cost = -243.114 keasar-server_TS5 costs 60.205 real_cost = -237.768 keasar-server_TS4-scwrl costs 54.958 real_cost = -327.459 keasar-server_TS4 costs 54.958 real_cost = -325.590 keasar-server_TS3-scwrl costs 55.927 real_cost = -275.102 keasar-server_TS3 costs 55.927 real_cost = -266.713 keasar-server_TS2-scwrl costs 57.624 real_cost = -260.179 keasar-server_TS2 costs 57.624 real_cost = -268.551 keasar-server_TS1-scwrl costs 56.718 real_cost = -260.059 keasar-server_TS1 costs 56.718 real_cost = -259.599 karypis.srv_TS5-scwrl costs 56.657 real_cost = -205.053 karypis.srv_TS5 costs 56.657 real_cost = -205.027 karypis.srv_TS4-scwrl costs 57.461 real_cost = -281.502 karypis.srv_TS4 costs 57.461 real_cost = -281.225 karypis.srv_TS3-scwrl costs 58.202 real_cost = -277.480 karypis.srv_TS3 costs 58.202 real_cost = -277.194 karypis.srv_TS2-scwrl costs 56.467 real_cost = -302.685 karypis.srv_TS2 costs 56.467 real_cost = -302.693 karypis.srv_TS1-scwrl costs 51.588 real_cost = -366.528 karypis.srv_TS1 costs 51.588 real_cost = -367.273 karypis.srv.4_TS5-scwrl costs 136.327 real_cost = 282.834 karypis.srv.4_TS5 costs 136.327 real_cost = 280.633 karypis.srv.4_TS4-scwrl costs 136.476 real_cost = 315.486 karypis.srv.4_TS4 costs 136.476 real_cost = 315.591 karypis.srv.4_TS2-scwrl costs 137.081 real_cost = 271.304 karypis.srv.4_TS2 costs 137.081 real_cost = 271.268 karypis.srv.4_TS1-scwrl costs 155.055 real_cost = 267.744 karypis.srv.4_TS1 costs 155.055 real_cost = 268.364 karypis.srv.2_TS5-scwrl costs 54.053 real_cost = -363.997 karypis.srv.2_TS5 costs 54.053 real_cost = -364.032 karypis.srv.2_TS4-scwrl costs 54.665 real_cost = -360.957 karypis.srv.2_TS4 costs 54.665 real_cost = -361.558 karypis.srv.2_TS3-scwrl costs 53.489 real_cost = -358.347 karypis.srv.2_TS3 costs 53.489 real_cost = -358.365 karypis.srv.2_TS2-scwrl costs 56.171 real_cost = -357.298 karypis.srv.2_TS2 costs 56.171 real_cost = -357.313 karypis.srv.2_TS1-scwrl costs 56.171 real_cost = -357.298 karypis.srv.2_TS1 costs 56.171 real_cost = -357.298 gtg_AL5-scwrl costs 61.772 real_cost = -262.430 gtg_AL5 costs 61.787 real_cost = -124.280 gtg_AL4-scwrl costs 64.188 real_cost = -300.507 gtg_AL4 costs 64.239 real_cost = -147.353 gtg_AL3-scwrl costs 59.482 real_cost = -309.907 gtg_AL3 costs 59.543 real_cost = -159.218 gtg_AL2-scwrl costs 58.618 real_cost = -319.306 gtg_AL2 costs 58.680 real_cost = -158.836 gtg_AL1-scwrl costs 53.466 real_cost = -371.440 gtg_AL1 costs 53.466 real_cost = -253.234 forecast-s_AL5-scwrl costs 100.187 real_cost = 529.931 forecast-s_AL5 costs 100.162 real_cost = 558.187 forecast-s_AL4-scwrl costs 143.110 real_cost = 440.734 forecast-s_AL4 costs 143.101 real_cost = 516.993 forecast-s_AL3-scwrl costs 120.916 real_cost = 396.097 forecast-s_AL3 costs 120.894 real_cost = 505.645 forecast-s_AL2-scwrl costs 77.430 real_cost = -29.545 forecast-s_AL2 costs 77.474 real_cost = 70.052 forecast-s_AL1-scwrl costs 56.760 real_cost = -290.565 forecast-s_AL1 costs 56.722 real_cost = -159.356 beautshotbase_TS1-scwrl costs 54.898 real_cost = -332.606 beautshotbase_TS1 costs 54.898 real_cost = -337.248 beautshot_TS1-scwrl costs 54.839 real_cost = -329.827 beautshot_TS1 costs 54.839 real_cost = -332.989 Zhang-Server_TS5-scwrl costs 56.104 real_cost = -367.257 Zhang-Server_TS5 costs 56.104 real_cost = -367.257 Zhang-Server_TS4-scwrl costs 55.042 real_cost = -370.675 Zhang-Server_TS4 costs 55.042 real_cost = -370.675 Zhang-Server_TS3-scwrl costs 55.333 real_cost = -371.706 Zhang-Server_TS3 costs 55.333 real_cost = -371.706 Zhang-Server_TS2-scwrl costs 53.055 real_cost = -366.226 Zhang-Server_TS2 costs 53.055 real_cost = -366.226 Zhang-Server_TS1-scwrl costs 55.129 real_cost = -368.549 Zhang-Server_TS1 costs 55.129 real_cost = -368.549 UNI-EID_sfst_AL5-scwrl costs 62.306 real_cost = -268.886 UNI-EID_sfst_AL5 costs 62.287 real_cost = -147.764 UNI-EID_sfst_AL4-scwrl costs 55.310 real_cost = -374.251 UNI-EID_sfst_AL4 costs 55.310 real_cost = -254.494 UNI-EID_sfst_AL3-scwrl costs 52.417 real_cost = -382.163 UNI-EID_sfst_AL3 costs 52.417 real_cost = -265.389 UNI-EID_sfst_AL2-scwrl costs 56.943 real_cost = -304.531 UNI-EID_sfst_AL2 costs 57.003 real_cost = -168.344 UNI-EID_sfst_AL1-scwrl costs 62.193 real_cost = -289.340 UNI-EID_sfst_AL1 costs 62.311 real_cost = -175.967 UNI-EID_expm_TS1-scwrl costs 95.685 real_cost = -238.020 UNI-EID_expm_TS1 costs 95.685 real_cost = -251.751 UNI-EID_bnmx_TS5-scwrl costs 62.306 real_cost = -268.886 UNI-EID_bnmx_TS5 costs 62.287 real_cost = -147.764 UNI-EID_bnmx_TS4-scwrl costs 54.050 real_cost = -380.564 UNI-EID_bnmx_TS4 costs 54.050 real_cost = -258.587 UNI-EID_bnmx_TS3-scwrl costs 52.417 real_cost = -382.163 UNI-EID_bnmx_TS3 costs 52.417 real_cost = -265.389 UNI-EID_bnmx_TS2-scwrl costs 56.943 real_cost = -304.531 UNI-EID_bnmx_TS2 costs 57.003 real_cost = -168.344 UNI-EID_bnmx_TS1-scwrl costs 62.193 real_cost = -289.340 UNI-EID_bnmx_TS1 costs 62.311 real_cost = -175.967 SPARKS2_TS5-scwrl costs 54.571 real_cost = -348.511 SPARKS2_TS5 costs 54.571 real_cost = -358.582 SPARKS2_TS4-scwrl costs 56.709 real_cost = -141.180 SPARKS2_TS4 costs 56.709 real_cost = -133.021 SPARKS2_TS3-scwrl costs 58.210 real_cost = -95.911 SPARKS2_TS3 costs 58.210 real_cost = -99.353 SPARKS2_TS2-scwrl costs 62.092 real_cost = -109.544 SPARKS2_TS2 costs 62.092 real_cost = -111.018 SPARKS2_TS1-scwrl costs 61.089 real_cost = -263.596 SPARKS2_TS1 costs 61.089 real_cost = -262.402 SP4_TS5-scwrl costs 62.682 real_cost = -120.261 SP4_TS5 costs 62.682 real_cost = -121.206 SP4_TS4-scwrl costs 60.717 real_cost = -94.063 SP4_TS4 costs 60.717 real_cost = -103.162 SP4_TS3-scwrl costs 54.614 real_cost = -345.755 SP4_TS3 costs 54.614 real_cost = -357.873 SP4_TS2-scwrl costs 60.379 real_cost = -128.299 SP4_TS2 costs 60.379 real_cost = -130.365 SP4_TS1-scwrl costs 61.509 real_cost = -272.429 SP4_TS1 costs 61.509 real_cost = -260.709 SP3_TS5-scwrl costs 56.709 real_cost = -141.180 SP3_TS5 costs 56.709 real_cost = -133.021 SP3_TS4-scwrl costs 54.614 real_cost = -345.755 SP3_TS4 costs 54.614 real_cost = -357.873 SP3_TS3-scwrl costs 58.210 real_cost = -95.911 SP3_TS3 costs 58.210 real_cost = -99.353 SP3_TS2-scwrl costs 60.076 real_cost = -131.730 SP3_TS2 costs 60.076 real_cost = -136.504 SP3_TS1-scwrl costs 58.244 real_cost = -259.830 SP3_TS1 costs 58.244 real_cost = -256.539 SAM_T06_server_TS5-scwrl costs 67.178 real_cost = -253.248 SAM_T06_server_TS5 costs 66.975 real_cost = -303.016 SAM_T06_server_TS4-scwrl costs 62.662 real_cost = -220.700 SAM_T06_server_TS4 costs 62.547 real_cost = -253.170 SAM_T06_server_TS3-scwrl costs 56.429 real_cost = -257.714 SAM_T06_server_TS3 costs 56.483 real_cost = -275.231 SAM_T06_server_TS2-scwrl costs 67.810 real_cost = -173.144 SAM_T06_server_TS2 costs 67.729 real_cost = -237.384 SAM_T06_server_TS1-scwrl costs 65.742 real_cost = -377.280 SAM_T06_server_TS1 costs 65.742 real_cost = -374.884 SAM-T99_AL5-scwrl costs 59.780 real_cost = -254.993 SAM-T99_AL5 costs 59.879 real_cost = -147.337 SAM-T99_AL4-scwrl costs 59.481 real_cost = -300.339 SAM-T99_AL4 costs 59.481 real_cost = -174.094 SAM-T99_AL3-scwrl costs 59.781 real_cost = -301.176 SAM-T99_AL3 costs 59.781 real_cost = -170.698 SAM-T99_AL2-scwrl costs 52.512 real_cost = -389.652 SAM-T99_AL2 costs 52.512 real_cost = -276.030 SAM-T99_AL1-scwrl costs 53.076 real_cost = -373.009 SAM-T99_AL1 costs 53.076 real_cost = -257.726 SAM-T02_AL5-scwrl costs 55.549 real_cost = -369.208 SAM-T02_AL5 costs 55.549 real_cost = -248.546 SAM-T02_AL4-scwrl costs 62.693 real_cost = -251.507 SAM-T02_AL4 costs 62.724 real_cost = -133.307 SAM-T02_AL3-scwrl costs 63.428 real_cost = -294.091 SAM-T02_AL3 costs 63.372 real_cost = -186.427 SAM-T02_AL2-scwrl costs 59.372 real_cost = -273.434 SAM-T02_AL2 costs 59.336 real_cost = -144.211 SAM-T02_AL1-scwrl costs 60.444 real_cost = -273.653 SAM-T02_AL1 costs 60.409 real_cost = -142.927 ROKKY_TS5-scwrl costs 58.238 real_cost = -203.884 ROKKY_TS5 costs 58.238 real_cost = -203.462 ROKKY_TS4-scwrl costs 59.759 real_cost = -187.579 ROKKY_TS4 costs 59.759 real_cost = -189.592 ROKKY_TS3-scwrl costs 55.720 real_cost = -193.809 ROKKY_TS3 costs 55.720 real_cost = -195.449 ROKKY_TS2-scwrl costs 55.781 real_cost = -200.126 ROKKY_TS2 costs 55.781 real_cost = -210.247 ROKKY_TS1-scwrl costs 57.216 real_cost = -205.127 ROKKY_TS1 costs 57.216 real_cost = -212.842 ROBETTA_TS5-scwrl costs 49.646 real_cost = -375.404 ROBETTA_TS5 costs 49.646 real_cost = -385.823 ROBETTA_TS4-scwrl costs 51.249 real_cost = -382.590 ROBETTA_TS4 costs 51.249 real_cost = -389.495 ROBETTA_TS3-scwrl costs 50.819 real_cost = -383.825 ROBETTA_TS3 costs 50.819 real_cost = -393.533 ROBETTA_TS2-scwrl costs 51.717 real_cost = -375.635 ROBETTA_TS2 costs 51.717 real_cost = -384.818 ROBETTA_TS1-scwrl costs 50.236 real_cost = -393.098 ROBETTA_TS1 costs 50.236 real_cost = -403.277 RAPTOR_TS5-scwrl costs 56.348 real_cost = -192.874 RAPTOR_TS5 costs 56.348 real_cost = -204.059 RAPTOR_TS4-scwrl costs 56.608 real_cost = -229.943 RAPTOR_TS4 costs 56.608 real_cost = -232.352 RAPTOR_TS3-scwrl costs 59.139 real_cost = -224.489 RAPTOR_TS3 costs 59.139 real_cost = -215.152 RAPTOR_TS2-scwrl costs 54.666 real_cost = -310.961 RAPTOR_TS2 costs 54.666 real_cost = -322.006 RAPTOR_TS1-scwrl costs 52.775 real_cost = -362.429 RAPTOR_TS1 costs 52.775 real_cost = -369.885 RAPTORESS_TS5-scwrl costs 60.887 real_cost = -176.019 RAPTORESS_TS5 costs 60.887 real_cost = -173.365 RAPTORESS_TS4-scwrl costs 59.472 real_cost = -161.008 RAPTORESS_TS4 costs 59.472 real_cost = -170.041 RAPTORESS_TS3-scwrl costs 62.826 real_cost = -155.796 RAPTORESS_TS3 costs 62.826 real_cost = -157.516 RAPTORESS_TS2-scwrl costs 58.862 real_cost = -288.817 RAPTORESS_TS2 costs 58.862 real_cost = -296.178 RAPTORESS_TS1-scwrl costs 59.382 real_cost = -323.439 RAPTORESS_TS1 costs 59.382 real_cost = -324.650 RAPTOR-ACE_TS5-scwrl costs 55.425 real_cost = -341.669 RAPTOR-ACE_TS5 costs 55.425 real_cost = -354.818 RAPTOR-ACE_TS4-scwrl costs 58.244 real_cost = -259.830 RAPTOR-ACE_TS4 costs 58.244 real_cost = -256.539 RAPTOR-ACE_TS3-scwrl costs 58.592 real_cost = -193.055 RAPTOR-ACE_TS3 costs 58.592 real_cost = -204.936 RAPTOR-ACE_TS2-scwrl costs 54.614 real_cost = -345.755 RAPTOR-ACE_TS2 costs 54.614 real_cost = -357.873 RAPTOR-ACE_TS1-scwrl costs 57.141 real_cost = -192.866 RAPTOR-ACE_TS1 costs 57.141 real_cost = -192.353 Pmodeller6_TS5-scwrl costs 55.292 real_cost = -359.356 Pmodeller6_TS5 costs 55.292 real_cost = -359.287 Pmodeller6_TS4-scwrl costs 50.236 real_cost = -393.098 Pmodeller6_TS4 costs 50.236 real_cost = -403.277 Pmodeller6_TS3-scwrl costs 50.819 real_cost = -383.825 Pmodeller6_TS3 costs 50.819 real_cost = -393.533 Pmodeller6_TS2-scwrl costs 49.646 real_cost = -375.404 Pmodeller6_TS2 costs 49.646 real_cost = -385.823 Pmodeller6_TS1-scwrl costs 51.249 real_cost = -382.590 Pmodeller6_TS1 costs 51.249 real_cost = -389.495 Phyre-2_TS5-scwrl costs 52.243 real_cost = -380.146 Phyre-2_TS5 costs 52.243 real_cost = -379.666 Phyre-2_TS4-scwrl costs 52.243 real_cost = -380.146 Phyre-2_TS4 costs 52.243 real_cost = -379.666 Phyre-2_TS3-scwrl costs 51.936 real_cost = -380.675 Phyre-2_TS3 costs 51.936 real_cost = -380.192 Phyre-2_TS2-scwrl costs 51.936 real_cost = -380.675 Phyre-2_TS2 costs 51.936 real_cost = -380.192 Phyre-2_TS1-scwrl costs 52.243 real_cost = -380.146 Phyre-2_TS1 costs 52.243 real_cost = -379.666 Phyre-1_TS1-scwrl costs 59.305 real_cost = -253.906 Phyre-1_TS1 costs 59.241 real_cost = -255.937 Pcons6_TS5-scwrl costs 58.308 real_cost = -231.180 Pcons6_TS5 costs 58.308 real_cost = -231.180 Pcons6_TS4-scwrl costs 55.292 real_cost = -359.356 Pcons6_TS4 costs 55.292 real_cost = -359.287 Pcons6_TS3-scwrl costs 51.883 real_cost = -364.078 Pcons6_TS3 costs 51.883 real_cost = -364.078 Pcons6_TS2-scwrl costs 57.085 real_cost = -338.881 Pcons6_TS2 costs 57.085 real_cost = -338.875 Pcons6_TS1-scwrl costs 58.616 real_cost = -189.418 Pcons6_TS1 costs 58.616 real_cost = -189.855 PROTINFO_TS5-scwrl costs 58.393 real_cost = -274.140 PROTINFO_TS5 costs 58.393 real_cost = -282.828 PROTINFO_TS4-scwrl costs 51.060 real_cost = -373.133 PROTINFO_TS4 costs 51.060 real_cost = -380.384 PROTINFO_TS3-scwrl costs 55.081 real_cost = -355.777 PROTINFO_TS3 costs 55.081 real_cost = -355.697 PROTINFO_TS2-scwrl costs 55.400 real_cost = -292.626 PROTINFO_TS2 costs 55.400 real_cost = -297.096 PROTINFO_TS1-scwrl costs 54.138 real_cost = -337.564 PROTINFO_TS1 costs 54.138 real_cost = -342.037 PROTINFO-AB_TS5-scwrl costs 58.059 real_cost = -320.948 PROTINFO-AB_TS5 costs 58.059 real_cost = -328.600 PROTINFO-AB_TS4-scwrl costs 58.890 real_cost = -321.298 PROTINFO-AB_TS4 costs 58.890 real_cost = -327.834 PROTINFO-AB_TS3-scwrl costs 59.682 real_cost = -322.887 PROTINFO-AB_TS3 costs 59.682 real_cost = -324.784 PROTINFO-AB_TS2-scwrl costs 56.792 real_cost = -323.998 PROTINFO-AB_TS2 costs 56.792 real_cost = -330.602 PROTINFO-AB_TS1-scwrl costs 58.076 real_cost = -326.860 PROTINFO-AB_TS1 costs 58.076 real_cost = -333.075 NN_PUT_lab_TS1-scwrl costs 57.073 real_cost = -310.061 NN_PUT_lab_TS1 costs 57.073 real_cost = -307.061 MetaTasser_TS3-scwrl costs 86.053 real_cost = -167.406 MetaTasser_TS3 costs 86.053 real_cost = -165.752 MetaTasser_TS2-scwrl costs 70.969 real_cost = -155.394 MetaTasser_TS2 costs 70.969 real_cost = -148.369 MetaTasser_TS1-scwrl costs 63.999 real_cost = -302.438 MetaTasser_TS1 costs 63.999 real_cost = -296.411 Ma-OPUS-server_TS5-scwrl costs 58.679 real_cost = -197.174 Ma-OPUS-server_TS5 costs 58.679 real_cost = -204.924 Ma-OPUS-server_TS4-scwrl costs 69.878 real_cost = -78.277 Ma-OPUS-server_TS4 costs 69.878 real_cost = -69.913 Ma-OPUS-server_TS3-scwrl costs 71.832 real_cost = -82.325 Ma-OPUS-server_TS3 costs 71.832 real_cost = -82.257 Ma-OPUS-server_TS2-scwrl costs 56.148 real_cost = -195.486 Ma-OPUS-server_TS2 costs 56.148 real_cost = -203.891 Ma-OPUS-server_TS1-scwrl costs 54.934 real_cost = -347.422 Ma-OPUS-server_TS1 costs 54.934 real_cost = -368.088 Ma-OPUS-server2_TS5-scwrl costs 106.966 real_cost = 370.732 Ma-OPUS-server2_TS5 costs 106.966 real_cost = 370.787 Ma-OPUS-server2_TS4-scwrl costs 58.679 real_cost = -197.174 Ma-OPUS-server2_TS4 costs 58.679 real_cost = -204.924 Ma-OPUS-server2_TS3-scwrl costs 70.872 real_cost = -66.160 Ma-OPUS-server2_TS3 costs 70.872 real_cost = -66.191 Ma-OPUS-server2_TS2-scwrl costs 71.832 real_cost = -82.325 Ma-OPUS-server2_TS2 costs 71.832 real_cost = -82.257 Ma-OPUS-server2_TS1-scwrl costs 54.934 real_cost = -347.422 Ma-OPUS-server2_TS1 costs 54.934 real_cost = -368.088 LOOPP_TS5-scwrl costs 67.835 real_cost = -222.089 LOOPP_TS5 costs 67.835 real_cost = -225.181 LOOPP_TS4-scwrl costs 73.710 real_cost = -206.379 LOOPP_TS4 costs 73.662 real_cost = -190.264 LOOPP_TS3-scwrl costs 64.585 real_cost = -273.826 LOOPP_TS3 costs 64.585 real_cost = -264.958 LOOPP_TS2-scwrl costs 63.681 real_cost = -334.385 LOOPP_TS2 costs 63.681 real_cost = -322.330 LOOPP_TS1-scwrl costs 57.073 real_cost = -310.061 LOOPP_TS1 costs 57.073 real_cost = -307.061 Huber-Torda-Server_TS5-scwrl costs 56.394 real_cost = -317.616 Huber-Torda-Server_TS5 costs 56.394 real_cost = -220.789 Huber-Torda-Server_TS4-scwrl costs 60.513 real_cost = -297.345 Huber-Torda-Server_TS4 costs 60.513 real_cost = -202.287 Huber-Torda-Server_TS3-scwrl costs 54.907 real_cost = -373.898 Huber-Torda-Server_TS3 costs 54.907 real_cost = -275.490 Huber-Torda-Server_TS2-scwrl costs 52.243 real_cost = -282.435 Huber-Torda-Server_TS2 costs 52.243 real_cost = -287.310 Huber-Torda-Server_TS1-scwrl costs 51.463 real_cost = -394.762 Huber-Torda-Server_TS1 costs 51.463 real_cost = -306.869 HHpred3_TS1-scwrl costs 53.721 real_cost = -322.183 HHpred3_TS1 costs 53.721 real_cost = -339.714 HHpred2_TS1-scwrl costs 53.721 real_cost = -322.183 HHpred2_TS1 costs 53.721 real_cost = -339.714 HHpred1_TS1-scwrl costs 50.895 real_cost = -379.896 HHpred1_TS1 costs 50.895 real_cost = -389.733 GeneSilicoMetaServer_TS5-scwrl costs 54.383 real_cost = -342.578 GeneSilicoMetaServer_TS5 costs 54.383 real_cost = -355.598 GeneSilicoMetaServer_TS4-scwrl costs 60.189 real_cost = -241.356 GeneSilicoMetaServer_TS4 costs 60.189 real_cost = -242.591 GeneSilicoMetaServer_TS3-scwrl costs 58.119 real_cost = -196.241 GeneSilicoMetaServer_TS3 costs 58.119 real_cost = -198.470 GeneSilicoMetaServer_TS2-scwrl costs 61.855 real_cost = -206.168 GeneSilicoMetaServer_TS2 costs 61.855 real_cost = -214.650 GeneSilicoMetaServer_TS1-scwrl costs 52.213 real_cost = -346.798 GeneSilicoMetaServer_TS1 costs 52.213 real_cost = -352.545 FUNCTION_TS5-scwrl costs 63.107 real_cost = -238.170 FUNCTION_TS5 costs 63.107 real_cost = -249.871 FUNCTION_TS4-scwrl costs 63.718 real_cost = -235.615 FUNCTION_TS4 costs 63.718 real_cost = -250.388 FUNCTION_TS3-scwrl costs 59.868 real_cost = -335.167 FUNCTION_TS3 costs 59.868 real_cost = -333.627 FUNCTION_TS2-scwrl costs 65.045 real_cost = -197.211 FUNCTION_TS2 costs 65.045 real_cost = -192.559 FUNCTION_TS1-scwrl costs 64.811 real_cost = -203.439 FUNCTION_TS1 costs 64.811 real_cost = -212.467 FUGUE_AL5-scwrl costs 116.144 real_cost = 345.497 FUGUE_AL5 costs 116.131 real_cost = 469.042 FUGUE_AL4-scwrl costs 138.103 real_cost = 349.897 FUGUE_AL4 costs 138.100 real_cost = 475.350 FUGUE_AL3-scwrl costs 110.859 real_cost = 546.219 FUGUE_AL3 costs 110.859 real_cost = 562.609 FUGUE_AL2-scwrl costs 55.575 real_cost = -357.199 FUGUE_AL2 costs 55.575 real_cost = -246.252 FUGUE_AL1-scwrl costs 54.392 real_cost = -358.183 FUGUE_AL1 costs 54.392 real_cost = -239.120 FUGMOD_TS5-scwrl costs 103.835 real_cost = 343.605 FUGMOD_TS5 costs 103.835 real_cost = 345.328 FUGMOD_TS4-scwrl costs 124.133 real_cost = 350.367 FUGMOD_TS4 costs 124.143 real_cost = 349.085 FUGMOD_TS3-scwrl costs 110.790 real_cost = 561.639 FUGMOD_TS3 costs 110.789 real_cost = 532.490 FUGMOD_TS2-scwrl costs 52.058 real_cost = -376.144 FUGMOD_TS2 costs 52.058 real_cost = -382.756 FUGMOD_TS1-scwrl costs 54.189 real_cost = -348.433 FUGMOD_TS1 costs 54.189 real_cost = -354.284 FPSOLVER-SERVER_TS5-scwrl costs 137.497 real_cost = 358.841 FPSOLVER-SERVER_TS5 costs 137.497 real_cost = 358.921 FPSOLVER-SERVER_TS4-scwrl costs 137.003 real_cost = 359.894 FPSOLVER-SERVER_TS4 costs 137.003 real_cost = 361.036 FPSOLVER-SERVER_TS3-scwrl costs 137.032 real_cost = 320.591 FPSOLVER-SERVER_TS3 costs 137.032 real_cost = 323.961 FPSOLVER-SERVER_TS2-scwrl costs 133.854 real_cost = 353.732 FPSOLVER-SERVER_TS2 costs 133.854 real_cost = 351.714 FPSOLVER-SERVER_TS1-scwrl costs 137.032 real_cost = 320.591 FPSOLVER-SERVER_TS1 costs 137.032 real_cost = 323.961 FORTE2_AL5-scwrl costs 130.714 real_cost = 355.257 FORTE2_AL5 costs 130.714 real_cost = 478.193 FORTE2_AL4-scwrl costs 130.761 real_cost = 412.897 FORTE2_AL4 costs 130.957 real_cost = 515.911 FORTE2_AL3-scwrl costs 100.541 real_cost = 406.734 FORTE2_AL3 costs 100.839 real_cost = 505.216 FORTE2_AL2-scwrl costs 72.087 real_cost = -71.332 FORTE2_AL2 costs 72.047 real_cost = 21.157 FORTE2_AL1-scwrl costs 56.760 real_cost = -290.565 FORTE2_AL1 costs 56.722 real_cost = -159.356 FORTE1_AL5-scwrl costs 119.391 real_cost = 360.050 FORTE1_AL5 costs 119.391 real_cost = 487.214 FORTE1_AL4-scwrl costs 121.111 real_cost = 349.499 FORTE1_AL4 costs 121.067 real_cost = 460.314 FORTE1_AL3-scwrl costs 102.268 real_cost = 429.875 FORTE1_AL3 costs 102.842 real_cost = 516.737 FORTE1_AL2-scwrl costs 71.487 real_cost = -73.569 FORTE1_AL2 costs 71.517 real_cost = 19.519 FORTE1_AL1-scwrl costs 56.760 real_cost = -290.565 FORTE1_AL1 costs 56.722 real_cost = -159.356 FOLDpro_TS5-scwrl costs 59.145 real_cost = -187.757 FOLDpro_TS5 costs 59.145 real_cost = -191.349 FOLDpro_TS4-scwrl costs 57.052 real_cost = -193.136 FOLDpro_TS4 costs 57.052 real_cost = -195.028 FOLDpro_TS3-scwrl costs 53.436 real_cost = -328.648 FOLDpro_TS3 costs 53.436 real_cost = -332.705 FOLDpro_TS2-scwrl costs 57.762 real_cost = -173.156 FOLDpro_TS2 costs 57.762 real_cost = -182.004 FOLDpro_TS1-scwrl costs 53.886 real_cost = -345.383 FOLDpro_TS1 costs 53.886 real_cost = -353.886 FAMS_TS5-scwrl costs 60.510 real_cost = -330.754 FAMS_TS5 costs 60.510 real_cost = -339.480 FAMS_TS4-scwrl costs 52.765 real_cost = -347.373 FAMS_TS4 costs 52.765 real_cost = -362.063 FAMS_TS3-scwrl costs 54.686 real_cost = -363.985 FAMS_TS3 costs 54.686 real_cost = -380.036 FAMS_TS2-scwrl costs 55.773 real_cost = -363.380 FAMS_TS2 costs 55.773 real_cost = -375.928 FAMS_TS1-scwrl costs 55.473 real_cost = -340.964 FAMS_TS1 costs 55.473 real_cost = -351.066 FAMSD_TS5-scwrl costs 58.170 real_cost = -339.127 FAMSD_TS5 costs 58.170 real_cost = -345.814 FAMSD_TS4-scwrl costs 53.517 real_cost = -341.949 FAMSD_TS4 costs 53.517 real_cost = -338.559 FAMSD_TS3-scwrl costs 55.837 real_cost = -332.788 FAMSD_TS3 costs 55.837 real_cost = -346.363 FAMSD_TS2-scwrl costs 53.520 real_cost = -356.727 FAMSD_TS2 costs 53.520 real_cost = -358.428 FAMSD_TS1-scwrl costs 54.590 real_cost = -343.779 FAMSD_TS1 costs 54.590 real_cost = -334.348 Distill_TS5-scwrl costs 223.807 real_cost = 211.006 Distill_TS4-scwrl costs 221.923 real_cost = 217.450 Distill_TS3-scwrl costs 224.164 real_cost = 211.655 Distill_TS2-scwrl costs 220.837 real_cost = 207.359 Distill_TS1-scwrl costs 224.693 real_cost = 211.361 CaspIta-FOX_TS5-scwrl costs 60.982 real_cost = -226.253 CaspIta-FOX_TS5 costs 60.982 real_cost = -231.349 CaspIta-FOX_TS4-scwrl costs 65.185 real_cost = -248.284 CaspIta-FOX_TS4 costs 65.185 real_cost = -249.444 CaspIta-FOX_TS3-scwrl costs 54.763 real_cost = -324.863 CaspIta-FOX_TS3 costs 54.763 real_cost = -335.128 CaspIta-FOX_TS2-scwrl costs 59.613 real_cost = -225.416 CaspIta-FOX_TS2 costs 59.613 real_cost = -237.890 CaspIta-FOX_TS1-scwrl costs 51.856 real_cost = -386.589 CaspIta-FOX_TS1 costs 51.856 real_cost = -394.772 CPHmodels_TS1-scwrl costs 58.223 real_cost = -325.183 CPHmodels_TS1 costs 58.223 real_cost = -342.438 CIRCLE_TS5-scwrl costs 60.510 real_cost = -330.754 CIRCLE_TS5 costs 60.510 real_cost = -339.480 CIRCLE_TS4-scwrl costs 52.765 real_cost = -347.373 CIRCLE_TS4 costs 52.765 real_cost = -362.063 CIRCLE_TS3-scwrl costs 55.773 real_cost = -363.380 CIRCLE_TS3 costs 55.773 real_cost = -375.928 CIRCLE_TS2-scwrl costs 52.568 real_cost = -368.836 CIRCLE_TS2 costs 52.568 real_cost = -388.153 CIRCLE_TS1-scwrl costs 54.686 real_cost = -363.985 CIRCLE_TS1 costs 54.686 real_cost = -380.036 Bilab-ENABLE_TS5-scwrl costs 56.409 real_cost = -277.652 Bilab-ENABLE_TS5 costs 56.409 real_cost = -277.652 Bilab-ENABLE_TS4-scwrl costs 53.187 real_cost = -355.990 Bilab-ENABLE_TS4 costs 53.187 real_cost = -356.539 Bilab-ENABLE_TS3-scwrl costs 54.969 real_cost = -339.222 Bilab-ENABLE_TS3 costs 54.969 real_cost = -339.323 Bilab-ENABLE_TS2-scwrl costs 55.831 real_cost = -278.000 Bilab-ENABLE_TS2 costs 55.831 real_cost = -278.000 Bilab-ENABLE_TS1-scwrl costs 54.115 real_cost = -287.904 Bilab-ENABLE_TS1 costs 54.115 real_cost = -287.904 BayesHH_TS1-scwrl costs 51.295 real_cost = -346.692 BayesHH_TS1 costs 51.295 real_cost = -363.107 ABIpro_TS5-scwrl costs 103.002 real_cost = 274.213 ABIpro_TS5 costs 103.002 real_cost = 272.311 ABIpro_TS4-scwrl costs 91.558 real_cost = 273.799 ABIpro_TS4 costs 91.558 real_cost = 272.442 ABIpro_TS3-scwrl costs 99.872 real_cost = 272.195 ABIpro_TS3 costs 99.872 real_cost = 272.195 ABIpro_TS2-scwrl costs 93.402 real_cost = 275.114 ABIpro_TS2 costs 93.402 real_cost = 275.118 ABIpro_TS1-scwrl costs 89.338 real_cost = 280.160 ABIpro_TS1 costs 89.338 real_cost = 280.121 3Dpro_TS5-scwrl costs 63.269 real_cost = -190.620 3Dpro_TS5 costs 63.269 real_cost = -205.580 3Dpro_TS4-scwrl costs 59.145 real_cost = -187.757 3Dpro_TS4 costs 59.145 real_cost = -191.349 3Dpro_TS3-scwrl costs 57.052 real_cost = -193.136 3Dpro_TS3 costs 57.052 real_cost = -195.028 3Dpro_TS2-scwrl costs 53.752 real_cost = -378.295 3Dpro_TS2 costs 53.752 real_cost = -399.905 3Dpro_TS1-scwrl costs 52.761 real_cost = -340.690 3Dpro_TS1 costs 52.761 real_cost = -352.171 3D-JIGSAW_TS5-scwrl costs 70.247 real_cost = -189.291 3D-JIGSAW_TS5 costs 70.247 real_cost = -185.363 3D-JIGSAW_TS4-scwrl costs 67.773 real_cost = -220.916 3D-JIGSAW_TS4 costs 67.773 real_cost = -202.103 3D-JIGSAW_TS3-scwrl costs 52.319 real_cost = -370.092 3D-JIGSAW_TS3 costs 52.319 real_cost = -338.305 3D-JIGSAW_TS2-scwrl costs 52.831 real_cost = -378.219 3D-JIGSAW_TS2 costs 52.831 real_cost = -361.996 3D-JIGSAW_TS1-scwrl costs 58.300 real_cost = -374.123 3D-JIGSAW_TS1 costs 58.300 real_cost = -346.866 3D-JIGSAW_RECOM_TS5-scwrl costs 67.813 real_cost = -216.097 3D-JIGSAW_RECOM_TS5 costs 67.813 real_cost = -201.365 3D-JIGSAW_RECOM_TS4-scwrl costs 65.269 real_cost = -232.546 3D-JIGSAW_RECOM_TS4 costs 65.269 real_cost = -228.356 3D-JIGSAW_RECOM_TS3-scwrl costs 54.456 real_cost = -376.778 3D-JIGSAW_RECOM_TS3 costs 54.456 real_cost = -374.937 3D-JIGSAW_RECOM_TS2-scwrl costs 62.831 real_cost = -239.091 3D-JIGSAW_RECOM_TS2 costs 62.831 real_cost = -227.857 3D-JIGSAW_RECOM_TS1-scwrl costs 53.859 real_cost = -373.795 3D-JIGSAW_RECOM_TS1 costs 53.859 real_cost = -373.773 3D-JIGSAW_POPULUS_TS5-scwrl costs 60.640 real_cost = -232.335 3D-JIGSAW_POPULUS_TS5 costs 60.640 real_cost = -232.342 3D-JIGSAW_POPULUS_TS4-scwrl costs 53.784 real_cost = -347.639 3D-JIGSAW_POPULUS_TS4 costs 53.784 real_cost = -347.615 3D-JIGSAW_POPULUS_TS3-scwrl costs 53.409 real_cost = -359.841 3D-JIGSAW_POPULUS_TS3 costs 53.409 real_cost = -359.927 3D-JIGSAW_POPULUS_TS2-scwrl costs 53.385 real_cost = -367.939 3D-JIGSAW_POPULUS_TS2 costs 53.385 real_cost = -368.238 3D-JIGSAW_POPULUS_TS1-scwrl costs 53.740 real_cost = -367.231 3D-JIGSAW_POPULUS_TS1 costs 53.740 real_cost = -367.528 dimer//dimer-try4-2rmcA costs 53.607 real_cost = -377.102 dimer//dimer-try4-1yndA.unpack costs 53.607 real_cost = -377.131 dimer//dimer-try4-1yndA costs 53.607 real_cost = -377.131 dimer//dimer-try4-1dywA.unpack costs 53.607 real_cost = -377.087 dimer//dimer-try4-1dywA costs 53.607 real_cost = -377.087 dimer//dimer-try3-1yndA costs 62.507 real_cost = -374.593 dimer//try3-opt2.unpack costs 59.140 real_cost = -380.381 dimer//try3-opt2.unpack.gromacs0.repack-nonPC.unpack costs 53.227 real_cost = -377.214 dimer//try3-opt2.unpack.gromacs0.repack-nonPC costs 53.227 real_cost = -377.214 dimer//try3-opt2.unpack.gromacs0 costs 53.227 real_cost = -376.891 dimer//try3-opt2.repack-nonPC costs 59.140 real_cost = -377.532 dimer//try3-opt2 costs 59.140 real_cost = -380.381 dimer//try3-opt1 costs 58.815 real_cost = -377.150 dimer//try3-opt1-scwrl costs 58.815 real_cost = -375.917 dimer//try2-opt2.unpack costs 58.927 real_cost = -377.738 dimer//try2-opt2.unpack.gromacs0.repack-nonPC.unpack costs 53.426 real_cost = -379.350 dimer//try2-opt2.unpack.gromacs0.repack-nonPC costs 53.426 real_cost = -379.350 dimer//try2-opt2.unpack.gromacs0 costs 53.426 real_cost = -376.640 dimer//try2-opt2.repack-nonPC costs 58.927 real_cost = -378.138 dimer//try2-opt2 costs 58.927 real_cost = -377.738 dimer//try2-opt1 costs 59.316 real_cost = -377.834 dimer//try2-opt1-scwrl costs 59.316 real_cost = -376.564 dimer//try1-opt2.unpack costs 63.252 real_cost = -373.768 dimer//try1-opt2.unpack.gromacs0.repack-nonPC.unpack costs 54.154 real_cost = -378.218 dimer//try1-opt2.unpack.gromacs0.repack-nonPC costs 54.154 real_cost = -378.218 dimer//try1-opt2.unpack.gromacs0 costs 54.154 real_cost = -372.427 dimer//try1-opt2.repack-nonPC costs 63.252 real_cost = -386.723 dimer//try1-opt2 costs 63.252 real_cost = -373.768 dimer//try1-opt1 costs 62.551 real_cost = -375.286 dimer//try1-opt1-scwrl costs 62.551 real_cost = -377.267 T0346.try4-opt2.repack-nonPC.pdb.gz costs 65.415 real_cost = -382.189 T0346.try4-opt2.pdb.gz costs 65.415 real_cost = -375.025 T0346.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.607 real_cost = -377.121 T0346.try4-opt2.gromacs0.pdb.gz costs 53.607 real_cost = -375.141 T0346.try4-opt1.pdb.gz costs 64.337 real_cost = -381.426 T0346.try4-opt1-scwrl.pdb.gz costs 64.337 real_cost = -376.561 T0346.try3-opt2.repack-nonPC.pdb.gz costs 62.507 real_cost = -386.723 T0346.try3-opt2.pdb.gz costs 62.507 real_cost = -374.577 T0346.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.884 real_cost = -383.256 T0346.try3-opt2.gromacs0.pdb.gz costs 53.884 real_cost = -373.542 T0346.try3-opt1.pdb.gz costs 62.725 real_cost = -373.287 T0346.try3-opt1-scwrl.pdb.gz costs 62.725 real_cost = -379.260 T0346.try2-opt2.repack-nonPC.pdb.gz costs 62.899 real_cost = -387.265 T0346.try2-opt2.pdb.gz costs 62.899 real_cost = -373.910 T0346.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.317 real_cost = -383.127 T0346.try2-opt2.gromacs0.pdb.gz costs 54.317 real_cost = -372.529 T0346.try2-opt1.pdb.gz costs 62.551 real_cost = -374.276 T0346.try2-opt1-scwrl.pdb.gz costs 62.551 real_cost = -379.930 T0346.try1-opt2.repack-nonPC.pdb.gz costs 62.782 real_cost = -394.418 T0346.try1-opt2.pdb.gz costs 62.782 real_cost = -377.135 T0346.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.309 real_cost = -384.244 T0346.try1-opt2.gromacs0.pdb.gz costs 54.309 real_cost = -374.798 T0346.try1-opt1.pdb.gz costs 60.657 real_cost = -376.773 T0346.try1-opt1-scwrl.pdb.gz costs 60.657 real_cost = -384.194 ../model5.ts-submitted costs 56.025 real_cost = -279.284 ../model4.ts-submitted costs 62.782 real_cost = -377.501 ../model3.ts-submitted costs 62.899 real_cost = -373.915 ../model2.ts-submitted costs 62.507 real_cost = -374.584 ../model1.ts-submitted costs 53.607 real_cost = -377.120 align5 costs 70.057 real_cost = -211.814 align4 costs 65.196 real_cost = -318.541 align3 costs 64.279 real_cost = -259.540 align2 costs 64.960 real_cost = -258.605 align1 costs 55.282 real_cost = -278.697 T0346.try1-opt2.pdb costs 62.782 real_cost = -377.159 model5-scwrl costs 55.998 real_cost = -275.540 model5.ts-submitted costs 56.025 real_cost = -279.284 model4-scwrl costs 62.782 real_cost = -382.075 model4.ts-submitted costs 62.782 real_cost = -377.501 model3-scwrl costs 62.899 real_cost = -379.128 model3.ts-submitted costs 62.899 real_cost = -373.915 model2-scwrl costs 62.507 real_cost = -374.819 model2.ts-submitted costs 62.507 real_cost = -374.584 model1-scwrl costs 53.607 real_cost = -376.467 model1.ts-submitted costs 53.607 real_cost = -377.080 2he9A costs 50.260 real_cost = -895.000 # command:CPU_time= 944.539 sec, elapsed time= 1214.143 sec. # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.anglevector.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.anglevector.rdb mv -f decoys/evaluate.anglevector.pretty decoys/evaluate.anglevector.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.anglevector.rdb > decoys/evaluate.anglevector.pretty make[1]: Leaving directory `/projects/compbio/experiments/protein-predict/casp7/T0346'