make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0319' 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/T0319.} ;\ b=${a%.gz} ;\ c=${b%.pdb} ;\ echo NameConform $c >> read-pdb+servers.under ; \ done cd decoys; shopt -s nullglob ; for x in servers/*.pdb.gz ; do \ echo ReadConformPDB $x >> read-pdb+servers.under ; \ y=${x%.pdb.gz} ; \ z=${y#servers/} ; \ echo NameConform $z >> read-pdb+servers.under ; \ echo SCWRLConform >> read-pdb+servers.under ; \ echo NameConform $z-scwrl >> read-pdb+servers.under ; \ done chgrp protein decoys/read-pdb+servers.under chmod g+w decoys/read-pdb+servers.under rm -f decoys/evaluate.predburial.rdb sed -e s/XXX0000/T0319/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2j6aA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174289477 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.11907 sec, elapsed time= 12.8392 sec) # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 6.19706 sec, elapsed time= 13.0199 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0319 numbered 1 through 135 Created new target T0319 from T0319.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file predburial.costfcn # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-near-backbone-2spot.hist # created burial cost function nb11 with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 5 alphabets from two-spot-burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_nb11_2k # created predicted BurialPredCostFcn pred_nb11_2k_simple # created predicted BurialPredCostFcn pred_nb11_04 # created predicted BurialPredCostFcn pred_nb11_04_simple # created predicted BurialPredCostFcn pred_nb11_06 # created predicted BurialPredCostFcn pred_nb11_06_simple # reading predictions from T0319.t2k.alpha.rdb # created predicted alpha cost function pred_alpha2k with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # reading predictions from T0319.t04.alpha.rdb # created predicted alpha cost function pred_alpha04 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # reading predictions from T0319.t06.alpha.rdb # created predicted alpha cost function pred_alpha06 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-monomeric-50pc-CB14.hist # created burial cost function cb14 with radius 14 with spots at CB counting only CB # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 28 alphabets from burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_cb14_2k # created predicted BurialPredCostFcn pred_cb14_2k_simple # created predicted BurialPredCostFcn pred_cb14_04 # created predicted BurialPredCostFcn pred_cb14_04_simple # created predicted BurialPredCostFcn pred_cb14_06 # created predicted BurialPredCostFcn pred_cb14_06_simple Unrecognized cost function c_beta for SetCost Unrecognized cost function 5 for SetCost # SetCost created cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 5 * nb11(9.65) + 5 * pred_nb11_2k_simple(9.65) + 5 * pred_nb11_2k(9.65) + 5 * pred_nb11_04_simple(9.65) + 5 * pred_nb11_04(9.65) + 5 * pred_nb11_06_simple(9.65) + 5 * pred_nb11_06(9.65) + 5 * cb14(14) + 5 * pred_cb14_2k_simple(14) + 5 * pred_cb14_2k(14) + 5 * pred_cb14_04_simple(14) + 5 * pred_cb14_04(14) + 5 * pred_cb14_06_simple(14) + 5 * pred_cb14_06(14) + 2 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms ) # command:CPU_time= 8.92264 sec, elapsed time= 18.8931 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -18.1481 # GDT_score(maxd=8,maxw=2.9)= -17.5576 # GDT_score(maxd=8,maxw=3.2)= -16.7449 # GDT_score(maxd=8,maxw=3.5)= -16.0715 # GDT_score(maxd=10,maxw=3.8)= -17.7482 # GDT_score(maxd=10,maxw=4)= -17.3053 # GDT_score(maxd=10,maxw=4.2)= -16.9045 # GDT_score(maxd=12,maxw=4.3)= -18.86 # GDT_score(maxd=12,maxw=4.5)= -18.4168 # GDT_score(maxd=12,maxw=4.7)= -17.9843 # GDT_score(maxd=14,maxw=5.2)= -18.9242 # GDT_score(maxd=14,maxw=5.5)= -18.2439 # command:# Prefix for output files set to # command:EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 15.446 14.220 15.594 1.00 0.00 ATOM 2 CA MET A 1 15.362 12.908 14.868 1.00 0.00 ATOM 3 CB MET A 1 16.775 12.606 14.296 1.00 0.00 ATOM 4 CG MET A 1 17.306 13.630 13.312 1.00 0.00 ATOM 5 SD MET A 1 16.223 13.809 11.896 1.00 0.00 ATOM 6 CE MET A 1 16.467 12.257 11.076 1.00 0.00 ATOM 7 O MET A 1 14.644 10.641 15.122 1.00 0.00 ATOM 8 C MET A 1 14.832 11.728 15.678 1.00 0.00 ATOM 9 N LYS A 2 14.588 11.941 16.981 1.00 0.00 ATOM 10 CA LYS A 2 14.054 10.897 17.849 1.00 0.00 ATOM 11 CB LYS A 2 14.138 11.206 19.270 1.00 0.00 ATOM 12 CG LYS A 2 13.347 12.386 19.784 1.00 0.00 ATOM 13 CD LYS A 2 13.820 12.522 21.240 1.00 0.00 ATOM 14 CE LYS A 2 12.643 12.560 22.204 1.00 0.00 ATOM 15 NZ LYS A 2 12.601 13.950 22.727 1.00 0.00 ATOM 16 O LYS A 2 12.206 9.379 17.624 1.00 0.00 ATOM 17 C LYS A 2 12.630 10.522 17.450 1.00 0.00 ATOM 18 N PHE A 3 11.858 11.573 16.919 1.00 0.00 ATOM 19 CA PHE A 3 10.482 11.332 16.497 1.00 0.00 ATOM 20 CB PHE A 3 9.718 12.589 16.080 1.00 0.00 ATOM 21 CG PHE A 3 10.175 13.213 14.781 1.00 0.00 ATOM 22 CD1 PHE A 3 9.666 12.771 13.555 1.00 0.00 ATOM 23 CD2 PHE A 3 11.086 14.271 14.785 1.00 0.00 ATOM 24 CE1 PHE A 3 10.086 13.352 12.349 1.00 0.00 ATOM 25 CE2 PHE A 3 11.506 14.870 13.580 1.00 0.00 ATOM 26 CZ PHE A 3 11.008 14.406 12.363 1.00 0.00 ATOM 27 O PHE A 3 9.435 9.485 15.376 1.00 0.00 ATOM 28 C PHE A 3 10.417 10.224 15.453 1.00 0.00 ATOM 29 N LEU A 4 11.462 10.107 14.648 1.00 0.00 ATOM 30 CA LEU A 4 11.542 9.092 13.600 1.00 0.00 ATOM 31 CB LEU A 4 12.693 9.419 12.635 1.00 0.00 ATOM 32 CG LEU A 4 12.566 10.706 11.801 1.00 0.00 ATOM 33 CD1 LEU A 4 13.782 10.871 10.922 1.00 0.00 ATOM 34 CD2 LEU A 4 11.293 10.682 10.958 1.00 0.00 ATOM 35 O LEU A 4 11.051 6.744 13.633 1.00 0.00 ATOM 36 C LEU A 4 11.657 7.677 14.166 1.00 0.00 ATOM 37 N THR A 5 12.446 7.541 15.246 1.00 0.00 ATOM 38 CA THR A 5 12.591 6.211 15.853 1.00 0.00 ATOM 39 CB THR A 5 13.655 6.232 16.972 1.00 0.00 ATOM 40 CG2 THR A 5 13.904 4.845 17.545 1.00 0.00 ATOM 41 OG1 THR A 5 14.872 6.738 16.382 1.00 0.00 ATOM 42 O THR A 5 10.965 4.484 16.324 1.00 0.00 ATOM 43 C THR A 5 11.272 5.688 16.405 1.00 0.00 ATOM 44 N THR A 6 10.464 6.562 16.992 1.00 0.00 ATOM 45 CA THR A 6 9.165 6.127 17.513 1.00 0.00 ATOM 46 CB THR A 6 8.512 7.267 18.295 1.00 0.00 ATOM 47 CG2 THR A 6 7.172 6.839 18.805 1.00 0.00 ATOM 48 OG1 THR A 6 9.350 7.621 19.421 1.00 0.00 ATOM 49 O THR A 6 7.728 4.498 16.528 1.00 0.00 ATOM 50 C THR A 6 8.328 5.566 16.382 1.00 0.00 ATOM 51 N ASN A 7 8.243 6.234 15.212 1.00 0.00 ATOM 52 CA ASN A 7 7.429 5.759 14.096 1.00 0.00 ATOM 53 CB ASN A 7 7.371 6.824 13.014 1.00 0.00 ATOM 54 CG ASN A 7 6.454 8.005 13.341 1.00 0.00 ATOM 55 ND2 ASN A 7 6.415 8.945 12.412 1.00 0.00 ATOM 56 OD1 ASN A 7 5.780 8.060 14.352 1.00 0.00 ATOM 57 O ASN A 7 7.219 3.522 13.258 1.00 0.00 ATOM 58 C ASN A 7 7.981 4.452 13.530 1.00 0.00 ATOM 59 N PHE A 8 9.278 4.386 13.352 1.00 0.00 ATOM 60 CA PHE A 8 9.930 3.191 12.794 1.00 0.00 ATOM 61 CB PHE A 8 11.407 3.254 12.882 1.00 0.00 ATOM 62 CG PHE A 8 12.090 2.025 12.360 1.00 0.00 ATOM 63 CD1 PHE A 8 12.219 1.816 10.992 1.00 0.00 ATOM 64 CD2 PHE A 8 12.609 1.077 13.234 1.00 0.00 ATOM 65 CE1 PHE A 8 12.855 0.676 10.500 1.00 0.00 ATOM 66 CE2 PHE A 8 13.245 -0.066 12.753 1.00 0.00 ATOM 67 CZ PHE A 8 13.369 -0.265 11.382 1.00 0.00 ATOM 68 O PHE A 8 9.226 0.908 13.062 1.00 0.00 ATOM 69 C PHE A 8 9.619 1.941 13.618 1.00 0.00 ATOM 70 N LEU A 9 9.784 2.032 14.946 1.00 0.00 ATOM 71 CA LEU A 9 9.508 0.903 15.826 1.00 0.00 ATOM 72 CB LEU A 9 9.964 1.248 17.256 1.00 0.00 ATOM 73 CG LEU A 9 9.708 0.169 18.319 1.00 0.00 ATOM 74 CD1 LEU A 9 10.394 -1.147 17.980 1.00 0.00 ATOM 75 CD2 LEU A 9 10.204 0.675 19.673 1.00 0.00 ATOM 76 O LEU A 9 7.764 -0.734 15.672 1.00 0.00 ATOM 77 C LEU A 9 8.047 0.463 15.751 1.00 0.00 ATOM 78 N LYS A 10 7.134 1.430 15.751 1.00 0.00 ATOM 79 CA LYS A 10 5.708 1.124 15.670 1.00 0.00 ATOM 80 CB LYS A 10 4.883 2.412 15.689 1.00 0.00 ATOM 81 CG LYS A 10 3.379 2.186 15.653 1.00 0.00 ATOM 82 CD LYS A 10 2.620 3.499 15.753 1.00 0.00 ATOM 83 CE LYS A 10 1.120 3.275 15.688 1.00 0.00 ATOM 84 NZ LYS A 10 0.362 4.556 15.769 1.00 0.00 ATOM 85 O LYS A 10 4.604 -0.584 14.384 1.00 0.00 ATOM 86 C LYS A 10 5.383 0.376 14.377 1.00 0.00 ATOM 87 N CYS A 11 5.997 0.802 13.272 1.00 0.00 ATOM 88 CA CYS A 11 5.777 0.170 11.976 1.00 0.00 ATOM 89 CB CYS A 11 6.427 0.989 10.859 1.00 0.00 ATOM 90 SG CYS A 11 5.615 2.569 10.523 1.00 0.00 ATOM 91 O CYS A 11 5.782 -2.158 11.378 1.00 0.00 ATOM 92 C CYS A 11 6.368 -1.239 11.960 1.00 0.00 ATOM 93 N SER A 12 7.536 -1.432 12.575 1.00 0.00 ATOM 94 CA SER A 12 8.168 -2.747 12.614 1.00 0.00 ATOM 95 CB SER A 12 9.570 -2.647 13.219 1.00 0.00 ATOM 96 OG SER A 12 10.430 -1.880 12.393 1.00 0.00 ATOM 97 O SER A 12 7.181 -4.886 13.101 1.00 0.00 ATOM 98 C SER A 12 7.338 -3.719 13.457 1.00 0.00 ATOM 99 N VAL A 13 6.790 -3.225 14.564 1.00 0.00 ATOM 100 CA VAL A 13 5.973 -4.047 15.452 1.00 0.00 ATOM 101 CB VAL A 13 5.585 -3.282 16.731 1.00 0.00 ATOM 102 CG1 VAL A 13 4.721 -4.151 17.632 1.00 0.00 ATOM 103 CG2 VAL A 13 6.830 -2.877 17.508 1.00 0.00 ATOM 104 O VAL A 13 4.241 -5.455 14.459 1.00 0.00 ATOM 105 C VAL A 13 4.737 -4.323 14.551 1.00 0.00 ATOM 106 N LYS A 14 4.128 -3.343 13.768 1.00 0.00 ATOM 107 CA LYS A 14 2.919 -3.639 12.894 1.00 0.00 ATOM 108 CB LYS A 14 2.250 -2.383 12.332 1.00 0.00 ATOM 109 CG LYS A 14 0.920 -2.643 11.643 1.00 0.00 ATOM 110 CD LYS A 14 0.279 -1.347 11.173 1.00 0.00 ATOM 111 CE LYS A 14 -1.027 -1.611 10.442 1.00 0.00 ATOM 112 NZ LYS A 14 -1.654 -0.352 9.954 1.00 0.00 ATOM 113 O LYS A 14 2.485 -5.637 11.625 1.00 0.00 ATOM 114 C LYS A 14 3.153 -4.607 11.726 1.00 0.00 ATOM 115 N ALA A 15 4.115 -4.286 10.863 1.00 0.00 ATOM 116 CA ALA A 15 4.424 -5.110 9.695 1.00 0.00 ATOM 117 CB ALA A 15 5.357 -4.365 8.753 1.00 0.00 ATOM 118 O ALA A 15 4.903 -7.443 9.342 1.00 0.00 ATOM 119 C ALA A 15 5.111 -6.441 10.027 1.00 0.00 ATOM 120 N CYS A 16 5.940 -6.444 11.067 1.00 0.00 ATOM 121 CA CYS A 16 6.660 -7.648 11.486 1.00 0.00 ATOM 122 CB CYS A 16 8.153 -7.512 11.185 1.00 0.00 ATOM 123 SG CYS A 16 8.547 -7.333 9.429 1.00 0.00 ATOM 124 O CYS A 16 7.325 -7.518 13.789 1.00 0.00 ATOM 125 C CYS A 16 6.418 -7.759 12.987 1.00 0.00 ATOM 126 N ASP A 17 5.203 -8.191 13.382 1.00 0.00 ATOM 127 CA ASP A 17 4.737 -8.359 14.763 1.00 0.00 ATOM 128 CB ASP A 17 3.410 -9.121 14.789 1.00 0.00 ATOM 129 CG ASP A 17 2.249 -8.282 14.297 1.00 0.00 ATOM 130 OD1 ASP A 17 2.426 -7.056 14.135 1.00 0.00 ATOM 131 OD2 ASP A 17 1.158 -8.850 14.075 1.00 0.00 ATOM 132 O ASP A 17 5.630 -8.881 16.910 1.00 0.00 ATOM 133 C ASP A 17 5.643 -9.130 15.709 1.00 0.00 ATOM 134 N THR A 18 6.416 -10.075 15.186 1.00 0.00 ATOM 135 CA THR A 18 7.312 -10.852 16.034 1.00 0.00 ATOM 136 CB THR A 18 8.079 -11.912 15.220 1.00 0.00 ATOM 137 CG2 THR A 18 7.111 -12.871 14.546 1.00 0.00 ATOM 138 OG1 THR A 18 8.868 -11.267 14.211 1.00 0.00 ATOM 139 O THR A 18 8.957 -10.393 17.722 1.00 0.00 ATOM 140 C THR A 18 8.362 -9.982 16.727 1.00 0.00 ATOM 141 N SER A 19 8.554 -8.725 16.159 1.00 0.00 ATOM 142 CA SER A 19 9.520 -7.803 16.746 1.00 0.00 ATOM 143 CB SER A 19 9.720 -6.587 15.841 1.00 0.00 ATOM 144 OG SER A 19 8.542 -5.804 15.771 1.00 0.00 ATOM 145 O SER A 19 9.832 -6.758 18.903 1.00 0.00 ATOM 146 C SER A 19 9.051 -7.308 18.122 1.00 0.00 ATOM 147 N ASN A 20 7.783 -7.551 18.436 1.00 0.00 ATOM 148 CA ASN A 20 7.214 -7.158 19.723 1.00 0.00 ATOM 149 CB ASN A 20 5.741 -7.802 19.887 1.00 0.00 ATOM 150 CG ASN A 20 4.819 -7.127 20.893 1.00 0.00 ATOM 151 ND2 ASN A 20 4.015 -7.930 21.578 1.00 0.00 ATOM 152 OD1 ASN A 20 4.830 -5.914 21.048 1.00 0.00 ATOM 153 O ASN A 20 7.732 -7.628 22.031 1.00 0.00 ATOM 154 C ASN A 20 7.806 -8.004 20.857 1.00 0.00 ATOM 155 N ASP A 21 8.418 -9.126 20.487 1.00 0.00 ATOM 156 CA ASP A 21 9.033 -10.074 21.418 1.00 0.00 ATOM 157 CB ASP A 21 10.245 -10.744 20.796 1.00 0.00 ATOM 158 CG ASP A 21 10.925 -9.911 19.727 1.00 0.00 ATOM 159 OD1 ASP A 21 11.096 -8.689 19.938 1.00 0.00 ATOM 160 OD2 ASP A 21 11.289 -10.484 18.675 1.00 0.00 ATOM 161 O ASP A 21 10.157 -9.957 23.503 1.00 0.00 ATOM 162 C ASP A 21 9.989 -9.467 22.407 1.00 0.00 ATOM 163 N ASN A 22 10.648 -8.396 22.122 1.00 0.00 ATOM 164 CA ASN A 22 11.585 -7.790 23.082 1.00 0.00 ATOM 165 CB ASN A 22 12.809 -7.273 22.325 1.00 0.00 ATOM 166 CG ASN A 22 13.632 -8.390 21.714 1.00 0.00 ATOM 167 ND2 ASN A 22 13.768 -8.371 20.394 1.00 0.00 ATOM 168 OD1 ASN A 22 14.138 -9.260 22.424 1.00 0.00 ATOM 169 O ASN A 22 11.756 -6.075 24.729 1.00 0.00 ATOM 170 C ASN A 22 11.054 -6.604 23.868 1.00 0.00 ATOM 171 N PHE A 23 9.703 -6.261 23.539 1.00 0.00 ATOM 172 CA PHE A 23 9.346 -5.075 24.306 1.00 0.00 ATOM 173 CB PHE A 23 9.066 -3.787 23.354 1.00 0.00 ATOM 174 CG PHE A 23 9.927 -3.596 22.146 1.00 0.00 ATOM 175 CD1 PHE A 23 9.666 -4.261 20.967 1.00 0.00 ATOM 176 CD2 PHE A 23 10.993 -2.727 22.213 1.00 0.00 ATOM 177 CE1 PHE A 23 10.484 -4.060 19.849 1.00 0.00 ATOM 178 CE2 PHE A 23 11.820 -2.531 21.097 1.00 0.00 ATOM 179 CZ PHE A 23 11.550 -3.191 19.940 1.00 0.00 ATOM 180 O PHE A 23 7.422 -4.329 25.535 1.00 0.00 ATOM 181 C PHE A 23 8.217 -5.245 25.321 1.00 0.00 ATOM 182 N PRO A 24 8.193 -6.389 25.996 1.00 0.00 ATOM 183 CA PRO A 24 7.165 -6.652 26.986 1.00 0.00 ATOM 184 CB PRO A 24 7.491 -8.060 27.492 1.00 0.00 ATOM 185 CG PRO A 24 8.206 -8.709 26.356 1.00 0.00 ATOM 186 CD PRO A 24 9.045 -7.634 25.722 1.00 0.00 ATOM 187 O PRO A 24 6.112 -5.293 28.627 1.00 0.00 ATOM 188 C PRO A 24 7.186 -5.612 28.109 1.00 0.00 ATOM 189 N LEU A 25 8.364 -5.110 28.475 1.00 0.00 ATOM 190 CA LEU A 25 8.404 -4.149 29.562 1.00 0.00 ATOM 191 CB LEU A 25 9.857 -4.005 30.019 1.00 0.00 ATOM 192 CG LEU A 25 10.506 -5.257 30.618 1.00 0.00 ATOM 193 CD1 LEU A 25 11.972 -5.006 30.927 1.00 0.00 ATOM 194 CD2 LEU A 25 9.808 -5.659 31.907 1.00 0.00 ATOM 195 O LEU A 25 7.307 -2.060 29.988 1.00 0.00 ATOM 196 C LEU A 25 7.772 -2.826 29.144 1.00 0.00 ATOM 197 N GLN A 26 7.657 -2.477 27.752 1.00 0.00 ATOM 198 CA GLN A 26 7.077 -1.242 27.234 1.00 0.00 ATOM 199 CB GLN A 26 7.147 -1.552 25.539 1.00 0.00 ATOM 200 CG GLN A 26 5.783 -2.032 25.115 1.00 0.00 ATOM 201 CD GLN A 26 5.788 -2.524 23.658 1.00 0.00 ATOM 202 OE1 GLN A 26 5.079 -3.478 23.319 1.00 0.00 ATOM 203 NE2 GLN A 26 6.610 -1.903 22.810 1.00 0.00 ATOM 204 O GLN A 26 5.089 0.071 27.514 1.00 0.00 ATOM 205 C GLN A 26 5.610 -1.040 27.598 1.00 0.00 ATOM 206 N TYR A 27 4.945 -2.119 27.999 1.00 0.00 ATOM 207 CA TYR A 27 3.552 -2.024 28.387 1.00 0.00 ATOM 208 CB TYR A 27 3.239 -0.627 28.926 1.00 0.00 ATOM 209 CG TYR A 27 3.956 -0.294 30.216 1.00 0.00 ATOM 210 CD1 TYR A 27 5.124 0.457 30.206 1.00 0.00 ATOM 211 CD2 TYR A 27 3.463 -0.731 31.436 1.00 0.00 ATOM 212 CE1 TYR A 27 5.786 0.767 31.378 1.00 0.00 ATOM 213 CE2 TYR A 27 4.111 -0.431 32.620 1.00 0.00 ATOM 214 CZ TYR A 27 5.282 0.325 32.582 1.00 0.00 ATOM 215 OH TYR A 27 5.940 0.632 33.751 1.00 0.00 ATOM 216 O TYR A 27 2.667 -3.208 26.497 1.00 0.00 ATOM 217 C TYR A 27 2.556 -2.252 27.264 1.00 0.00 ATOM 218 N ASP A 28 1.579 -1.351 27.176 1.00 0.00 ATOM 219 CA ASP A 28 0.527 -1.459 26.168 1.00 0.00 ATOM 220 CB ASP A 28 -0.683 -0.615 26.577 1.00 0.00 ATOM 221 CG ASP A 28 -1.424 -1.196 27.765 1.00 0.00 ATOM 222 OD1 ASP A 28 -1.186 -2.377 28.094 1.00 0.00 ATOM 223 OD2 ASP A 28 -2.243 -0.471 28.367 1.00 0.00 ATOM 224 O ASP A 28 0.156 -1.049 23.862 1.00 0.00 ATOM 225 C ASP A 28 0.945 -0.998 24.778 1.00 0.00 ATOM 226 N GLY A 29 2.164 -0.534 24.614 1.00 0.00 ATOM 227 CA GLY A 29 2.647 -0.056 23.348 1.00 0.00 ATOM 228 O GLY A 29 2.259 1.672 21.806 1.00 0.00 ATOM 229 C GLY A 29 2.104 1.294 22.944 1.00 0.00 ATOM 230 N SER A 30 1.471 2.016 23.876 1.00 0.00 ATOM 231 CA SER A 30 0.947 3.343 23.587 1.00 0.00 ATOM 232 CB SER A 30 0.002 3.794 24.702 1.00 0.00 ATOM 233 OG SER A 30 0.710 4.034 25.905 1.00 0.00 ATOM 234 O SER A 30 3.232 4.068 23.539 1.00 0.00 ATOM 235 C SER A 30 2.055 4.365 23.351 1.00 0.00 ATOM 236 N LYS A 31 1.678 5.556 22.951 1.00 0.00 ATOM 237 CA LYS A 31 2.670 6.604 22.731 1.00 0.00 ATOM 238 CB LYS A 31 1.953 7.893 22.325 1.00 0.00 ATOM 239 CG LYS A 31 2.887 9.053 22.020 1.00 0.00 ATOM 240 CD LYS A 31 2.114 10.280 21.563 1.00 0.00 ATOM 241 CE LYS A 31 3.042 11.455 21.307 1.00 0.00 ATOM 242 NZ LYS A 31 2.299 12.658 20.837 1.00 0.00 ATOM 243 O LYS A 31 4.670 7.181 23.925 1.00 0.00 ATOM 244 C LYS A 31 3.464 6.936 23.993 1.00 0.00 ATOM 245 N CYS A 32 2.906 6.994 25.285 1.00 0.00 ATOM 246 CA CYS A 32 3.578 7.363 26.527 1.00 0.00 ATOM 247 CB CYS A 32 2.602 7.491 27.698 1.00 0.00 ATOM 248 SG CYS A 32 1.483 8.908 27.585 1.00 0.00 ATOM 249 O CYS A 32 5.785 6.670 27.169 1.00 0.00 ATOM 250 C CYS A 32 4.627 6.326 26.917 1.00 0.00 ATOM 251 N GLN A 33 4.227 5.051 26.918 1.00 0.00 ATOM 252 CA GLN A 33 5.142 3.983 27.273 1.00 0.00 ATOM 253 CB GLN A 33 4.142 2.645 26.870 1.00 0.00 ATOM 254 CG GLN A 33 2.656 2.882 26.976 1.00 0.00 ATOM 255 CD GLN A 33 2.232 2.979 28.425 1.00 0.00 ATOM 256 OE1 GLN A 33 2.703 2.195 29.243 1.00 0.00 ATOM 257 NE2 GLN A 33 1.359 3.937 28.755 1.00 0.00 ATOM 258 O GLN A 33 7.415 3.706 26.586 1.00 0.00 ATOM 259 C GLN A 33 6.256 3.911 26.238 1.00 0.00 ATOM 260 N LEU A 34 5.903 4.092 24.967 1.00 0.00 ATOM 261 CA LEU A 34 6.898 4.035 23.902 1.00 0.00 ATOM 262 CB LEU A 34 6.237 4.181 22.539 1.00 0.00 ATOM 263 CG LEU A 34 7.180 4.217 21.331 1.00 0.00 ATOM 264 CD1 LEU A 34 7.982 2.929 21.259 1.00 0.00 ATOM 265 CD2 LEU A 34 6.367 4.414 20.063 1.00 0.00 ATOM 266 O LEU A 34 9.097 4.978 23.921 1.00 0.00 ATOM 267 C LEU A 34 7.894 5.164 24.091 1.00 0.00 ATOM 268 N VAL A 35 7.432 6.464 24.313 1.00 0.00 ATOM 269 CA VAL A 35 8.301 7.616 24.547 1.00 0.00 ATOM 270 CB VAL A 35 7.485 8.894 24.814 1.00 0.00 ATOM 271 CG1 VAL A 35 8.401 10.032 25.232 1.00 0.00 ATOM 272 CG2 VAL A 35 6.733 9.318 23.561 1.00 0.00 ATOM 273 O VAL A 35 10.354 7.846 25.764 1.00 0.00 ATOM 274 C VAL A 35 9.218 7.386 25.748 1.00 0.00 ATOM 275 N GLN A 36 8.691 6.670 26.775 1.00 0.00 ATOM 276 CA GLN A 36 9.474 6.390 27.976 1.00 0.00 ATOM 277 CB GLN A 36 8.549 6.218 29.182 1.00 0.00 ATOM 278 CG GLN A 36 7.723 7.449 29.514 1.00 0.00 ATOM 279 CD GLN A 36 6.796 7.229 30.692 1.00 0.00 ATOM 280 OE1 GLN A 36 6.806 6.166 31.312 1.00 0.00 ATOM 281 NE2 GLN A 36 5.989 8.237 31.005 1.00 0.00 ATOM 282 O GLN A 36 11.141 4.841 28.757 1.00 0.00 ATOM 283 C GLN A 36 10.321 5.118 27.875 1.00 0.00 ATOM 284 N ASP A 37 10.127 4.347 26.812 1.00 0.00 ATOM 285 CA ASP A 37 10.851 3.092 26.630 1.00 0.00 ATOM 286 CB ASP A 37 9.956 2.162 25.743 1.00 0.00 ATOM 287 CG ASP A 37 10.534 0.757 25.667 1.00 0.00 ATOM 288 OD1 ASP A 37 11.434 0.510 24.847 1.00 0.00 ATOM 289 OD2 ASP A 37 10.114 -0.125 26.447 1.00 0.00 ATOM 290 O ASP A 37 12.592 3.665 25.069 1.00 0.00 ATOM 291 C ASP A 37 12.310 3.262 26.199 1.00 0.00 ATOM 292 N GLU A 38 13.298 3.002 27.195 1.00 0.00 ATOM 293 CA GLU A 38 14.726 3.114 26.916 1.00 0.00 ATOM 294 CB GLU A 38 15.547 2.655 28.122 1.00 0.00 ATOM 295 CG GLU A 38 15.475 3.593 29.316 1.00 0.00 ATOM 296 CD GLU A 38 16.224 3.060 30.521 1.00 0.00 ATOM 297 OE1 GLU A 38 16.746 1.929 30.445 1.00 0.00 ATOM 298 OE2 GLU A 38 16.289 3.776 31.543 1.00 0.00 ATOM 299 O GLU A 38 16.088 2.664 24.996 1.00 0.00 ATOM 300 C GLU A 38 15.181 2.273 25.726 1.00 0.00 ATOM 301 N SER A 39 14.561 1.115 25.529 1.00 0.00 ATOM 302 CA SER A 39 14.944 0.258 24.415 1.00 0.00 ATOM 303 CB SER A 39 14.262 -1.108 24.532 1.00 0.00 ATOM 304 OG SER A 39 14.718 -1.809 25.676 1.00 0.00 ATOM 305 O SER A 39 15.325 0.766 22.115 1.00 0.00 ATOM 306 C SER A 39 14.615 0.924 23.099 1.00 0.00 ATOM 307 N ILE A 40 13.487 1.641 23.068 1.00 0.00 ATOM 308 CA ILE A 40 13.093 2.317 21.850 1.00 0.00 ATOM 309 CB ILE A 40 11.678 2.866 21.917 1.00 0.00 ATOM 310 CG1 ILE A 40 10.728 1.681 22.048 1.00 0.00 ATOM 311 CG2 ILE A 40 11.334 3.700 20.680 1.00 0.00 ATOM 312 CD1 ILE A 40 9.305 2.066 22.329 1.00 0.00 ATOM 313 O ILE A 40 14.508 3.553 20.353 1.00 0.00 ATOM 314 C ILE A 40 14.086 3.425 21.502 1.00 0.00 ATOM 315 N GLU A 41 14.473 4.202 22.510 1.00 0.00 ATOM 316 CA GLU A 41 15.432 5.282 22.316 1.00 0.00 ATOM 317 CB GLU A 41 15.696 6.007 23.637 1.00 0.00 ATOM 318 CG GLU A 41 14.526 6.845 24.129 1.00 0.00 ATOM 319 CD GLU A 41 14.777 7.449 25.498 1.00 0.00 ATOM 320 OE1 GLU A 41 15.834 7.152 26.092 1.00 0.00 ATOM 321 OE2 GLU A 41 13.916 8.218 25.972 1.00 0.00 ATOM 322 O GLU A 41 17.327 5.303 20.842 1.00 0.00 ATOM 323 C GLU A 41 16.758 4.744 21.782 1.00 0.00 ATOM 324 N PHE A 42 17.254 3.678 22.390 1.00 0.00 ATOM 325 CA PHE A 42 18.513 3.076 21.957 1.00 0.00 ATOM 326 CB PHE A 42 18.838 1.844 22.805 1.00 0.00 ATOM 327 CG PHE A 42 19.188 2.165 24.229 1.00 0.00 ATOM 328 CD1 PHE A 42 19.475 3.464 24.613 1.00 0.00 ATOM 329 CD2 PHE A 42 19.230 1.168 25.189 1.00 0.00 ATOM 330 CE1 PHE A 42 19.797 3.758 25.924 1.00 0.00 ATOM 331 CE2 PHE A 42 19.552 1.462 26.500 1.00 0.00 ATOM 332 CZ PHE A 42 19.835 2.751 26.869 1.00 0.00 ATOM 333 O PHE A 42 19.344 2.947 19.705 1.00 0.00 ATOM 334 C PHE A 42 18.443 2.648 20.493 1.00 0.00 ATOM 335 N ASN A 43 17.410 1.986 20.076 1.00 0.00 ATOM 336 CA ASN A 43 17.176 1.486 18.709 1.00 0.00 ATOM 337 CB ASN A 43 16.993 2.652 17.737 1.00 0.00 ATOM 338 CG ASN A 43 16.416 2.214 16.404 1.00 0.00 ATOM 339 ND2 ASN A 43 16.671 3.000 15.364 1.00 0.00 ATOM 340 OD1 ASN A 43 15.751 1.183 16.314 1.00 0.00 ATOM 341 O ASN A 43 19.121 1.007 17.308 1.00 0.00 ATOM 342 C ASN A 43 18.383 0.645 18.243 1.00 0.00 ATOM 343 N PRO A 44 18.637 -0.444 18.949 1.00 0.00 ATOM 344 CA PRO A 44 19.911 -1.148 18.728 1.00 0.00 ATOM 345 CB PRO A 44 19.866 -2.319 19.713 1.00 0.00 ATOM 346 CG PRO A 44 18.947 -1.861 20.795 1.00 0.00 ATOM 347 CD PRO A 44 17.873 -1.058 20.118 1.00 0.00 ATOM 348 O PRO A 44 19.117 -2.261 16.748 1.00 0.00 ATOM 349 C PRO A 44 20.107 -1.700 17.327 1.00 0.00 ATOM 350 N GLU A 45 21.327 -1.571 16.820 1.00 0.00 ATOM 351 CA GLU A 45 21.726 -2.256 15.600 1.00 0.00 ATOM 352 CB GLU A 45 23.156 -1.880 15.212 1.00 0.00 ATOM 353 CG GLU A 45 23.326 -0.427 14.796 1.00 0.00 ATOM 354 CD GLU A 45 24.756 -0.092 14.421 1.00 0.00 ATOM 355 OE1 GLU A 45 25.668 -0.396 15.220 1.00 0.00 ATOM 356 OE2 GLU A 45 24.966 0.476 13.328 1.00 0.00 ATOM 357 O GLU A 45 21.180 -4.500 14.910 1.00 0.00 ATOM 358 C GLU A 45 21.647 -3.778 15.794 1.00 0.00 ATOM 359 N PHE A 46 22.063 -4.252 16.965 1.00 0.00 ATOM 360 CA PHE A 46 22.054 -5.683 17.277 1.00 0.00 ATOM 361 CB PHE A 46 22.787 -5.936 18.586 1.00 0.00 ATOM 362 CG PHE A 46 22.676 -7.357 19.094 1.00 0.00 ATOM 363 CD1 PHE A 46 23.570 -8.330 18.736 1.00 0.00 ATOM 364 CD2 PHE A 46 21.721 -7.708 20.005 1.00 0.00 ATOM 365 CE1 PHE A 46 23.465 -9.618 19.274 1.00 0.00 ATOM 366 CE2 PHE A 46 21.578 -8.972 20.475 1.00 0.00 ATOM 367 CZ PHE A 46 22.466 -9.906 20.073 1.00 0.00 ATOM 368 O PHE A 46 20.364 -7.232 16.559 1.00 0.00 ATOM 369 C PHE A 46 20.622 -6.208 17.189 1.00 0.00 ATOM 370 N LEU A 47 19.695 -5.514 17.832 1.00 0.00 ATOM 371 CA LEU A 47 18.290 -5.920 17.838 1.00 0.00 ATOM 372 CB LEU A 47 17.487 -5.003 18.781 1.00 0.00 ATOM 373 CG LEU A 47 17.841 -5.097 20.268 1.00 0.00 ATOM 374 CD1 LEU A 47 17.049 -4.059 21.048 1.00 0.00 ATOM 375 CD2 LEU A 47 17.534 -6.498 20.784 1.00 0.00 ATOM 376 O LEU A 47 17.021 -6.818 16.006 1.00 0.00 ATOM 377 C LEU A 47 17.692 -5.877 16.433 1.00 0.00 ATOM 378 N LEU A 48 17.935 -4.780 15.724 1.00 0.00 ATOM 379 CA LEU A 48 17.392 -4.609 14.380 1.00 0.00 ATOM 380 CB LEU A 48 17.862 -3.284 13.777 1.00 0.00 ATOM 381 CG LEU A 48 17.275 -2.013 14.394 1.00 0.00 ATOM 382 CD1 LEU A 48 17.965 -0.776 13.836 1.00 0.00 ATOM 383 CD2 LEU A 48 15.789 -1.904 14.090 1.00 0.00 ATOM 384 O LEU A 48 17.009 -6.364 12.790 1.00 0.00 ATOM 385 C LEU A 48 17.832 -5.724 13.447 1.00 0.00 ATOM 386 N ASN A 49 19.135 -5.958 13.393 1.00 0.00 ATOM 387 CA ASN A 49 19.657 -6.986 12.507 1.00 0.00 ATOM 388 CB ASN A 49 21.186 -6.945 12.478 1.00 0.00 ATOM 389 CG ASN A 49 21.722 -5.749 11.717 1.00 0.00 ATOM 390 ND2 ASN A 49 22.972 -5.389 11.989 1.00 0.00 ATOM 391 OD1 ASN A 49 21.021 -5.159 10.895 1.00 0.00 ATOM 392 O ASN A 49 19.019 -9.232 11.986 1.00 0.00 ATOM 393 C ASN A 49 19.224 -8.396 12.867 1.00 0.00 ATOM 394 N ILE A 50 19.058 -8.656 14.155 1.00 0.00 ATOM 395 CA ILE A 50 18.588 -9.959 14.604 1.00 0.00 ATOM 396 CB ILE A 50 18.637 -10.038 16.140 1.00 0.00 ATOM 397 CG1 ILE A 50 20.106 -10.003 16.593 1.00 0.00 ATOM 398 CG2 ILE A 50 17.959 -11.319 16.637 1.00 0.00 ATOM 399 CD1 ILE A 50 20.296 -9.922 18.095 1.00 0.00 ATOM 400 O ILE A 50 16.895 -11.340 13.602 1.00 0.00 ATOM 401 C ILE A 50 17.171 -10.247 14.095 1.00 0.00 ATOM 402 N VAL A 51 16.285 -9.260 14.189 1.00 0.00 ATOM 403 CA VAL A 51 14.913 -9.435 13.708 1.00 0.00 ATOM 404 CB VAL A 51 14.056 -8.186 13.982 1.00 0.00 ATOM 405 CG1 VAL A 51 12.701 -8.310 13.302 1.00 0.00 ATOM 406 CG2 VAL A 51 13.828 -8.013 15.476 1.00 0.00 ATOM 407 O VAL A 51 14.207 -10.670 11.760 1.00 0.00 ATOM 408 C VAL A 51 14.921 -9.772 12.214 1.00 0.00 ATOM 409 N ASP A 52 15.729 -9.046 11.436 1.00 0.00 ATOM 410 CA ASP A 52 15.807 -9.261 9.996 1.00 0.00 ATOM 411 CB ASP A 52 16.669 -8.188 9.328 1.00 0.00 ATOM 412 CG ASP A 52 15.997 -6.829 9.309 1.00 0.00 ATOM 413 OD1 ASP A 52 14.780 -6.764 9.580 1.00 0.00 ATOM 414 OD2 ASP A 52 16.688 -5.829 9.022 1.00 0.00 ATOM 415 O ASP A 52 16.279 -11.005 8.440 1.00 0.00 ATOM 416 C ASP A 52 16.389 -10.601 9.596 1.00 0.00 ATOM 417 N ARG A 53 17.041 -11.285 10.528 1.00 0.00 ATOM 418 CA ARG A 53 17.576 -12.603 10.227 1.00 0.00 ATOM 419 CB ARG A 53 19.123 -12.488 10.139 1.00 0.00 ATOM 420 CG ARG A 53 19.647 -11.590 9.039 1.00 0.00 ATOM 421 CD ARG A 53 21.083 -11.179 9.325 1.00 0.00 ATOM 422 NE ARG A 53 21.951 -12.333 9.541 1.00 0.00 ATOM 423 CZ ARG A 53 22.301 -13.196 8.593 1.00 0.00 ATOM 424 NH1 ARG A 53 21.860 -13.040 7.349 1.00 0.00 ATOM 425 NH2 ARG A 53 23.089 -14.222 8.890 1.00 0.00 ATOM 426 O ARG A 53 17.594 -14.886 10.910 1.00 0.00 ATOM 427 C ARG A 53 16.954 -13.835 10.890 1.00 0.00 ATOM 428 N VAL A 54 15.760 -13.694 11.404 1.00 0.00 ATOM 429 CA VAL A 54 15.102 -14.795 12.104 1.00 0.00 ATOM 430 CB VAL A 54 14.961 -14.664 13.633 1.00 0.00 ATOM 431 CG1 VAL A 54 16.331 -14.607 14.291 1.00 0.00 ATOM 432 CG2 VAL A 54 14.203 -13.395 13.990 1.00 0.00 ATOM 433 O VAL A 54 13.093 -14.322 10.844 1.00 0.00 ATOM 434 C VAL A 54 13.670 -15.068 11.637 1.00 0.00 ATOM 435 N ASP A 55 13.114 -16.163 12.147 1.00 0.00 ATOM 436 CA ASP A 55 11.759 -16.577 11.807 1.00 0.00 ATOM 437 CB ASP A 55 11.750 -18.024 11.306 1.00 0.00 ATOM 438 CG ASP A 55 12.587 -18.213 10.057 1.00 0.00 ATOM 439 OD1 ASP A 55 12.326 -17.510 9.057 1.00 0.00 ATOM 440 OD2 ASP A 55 13.501 -19.063 10.075 1.00 0.00 ATOM 441 O ASP A 55 9.635 -16.190 12.834 1.00 0.00 ATOM 442 C ASP A 55 10.814 -16.502 12.996 1.00 0.00 ATOM 443 N TRP A 56 11.350 -16.803 14.197 1.00 0.00 ATOM 444 CA TRP A 56 10.502 -16.776 15.381 1.00 0.00 ATOM 445 CB TRP A 56 10.332 -18.186 15.952 1.00 0.00 ATOM 446 CG TRP A 56 9.588 -19.115 15.042 1.00 0.00 ATOM 447 CD1 TRP A 56 10.115 -19.879 14.042 1.00 0.00 ATOM 448 CD2 TRP A 56 8.179 -19.377 15.049 1.00 0.00 ATOM 449 CE2 TRP A 56 7.925 -20.312 14.025 1.00 0.00 ATOM 450 CE3 TRP A 56 7.110 -18.914 15.819 1.00 0.00 ATOM 451 NE1 TRP A 56 9.124 -20.603 13.424 1.00 0.00 ATOM 452 CZ2 TRP A 56 6.645 -20.792 13.754 1.00 0.00 ATOM 453 CZ3 TRP A 56 5.841 -19.392 15.546 1.00 0.00 ATOM 454 CH2 TRP A 56 5.617 -20.320 14.524 1.00 0.00 ATOM 455 O TRP A 56 12.319 -15.875 16.668 1.00 0.00 ATOM 456 C TRP A 56 11.099 -15.898 16.469 1.00 0.00 ATOM 457 N PRO A 57 10.212 -15.190 17.176 1.00 0.00 ATOM 458 CA PRO A 57 10.656 -14.319 18.267 1.00 0.00 ATOM 459 CB PRO A 57 9.359 -13.711 18.807 1.00 0.00 ATOM 460 CG PRO A 57 8.421 -13.745 17.648 1.00 0.00 ATOM 461 CD PRO A 57 8.719 -15.017 16.907 1.00 0.00 ATOM 462 O PRO A 57 12.328 -14.619 19.977 1.00 0.00 ATOM 463 C PRO A 57 11.402 -15.120 19.344 1.00 0.00 ATOM 464 N ALA A 58 10.987 -16.367 19.551 1.00 0.00 ATOM 465 CA ALA A 58 11.635 -17.227 20.544 1.00 0.00 ATOM 466 CB ALA A 58 10.906 -18.557 20.649 1.00 0.00 ATOM 467 O ALA A 58 14.005 -17.379 20.943 1.00 0.00 ATOM 468 C ALA A 58 13.081 -17.480 20.131 1.00 0.00 ATOM 469 N VAL A 59 13.276 -17.819 18.860 1.00 0.00 ATOM 470 CA VAL A 59 14.610 -18.073 18.342 1.00 0.00 ATOM 471 CB VAL A 59 14.553 -18.732 16.948 1.00 0.00 ATOM 472 CG1 VAL A 59 15.959 -18.884 16.392 1.00 0.00 ATOM 473 CG2 VAL A 59 13.880 -20.090 17.041 1.00 0.00 ATOM 474 O VAL A 59 16.517 -16.734 18.696 1.00 0.00 ATOM 475 C VAL A 59 15.405 -16.724 18.357 1.00 0.00 ATOM 476 N LEU A 60 14.801 -15.636 17.884 1.00 0.00 ATOM 477 CA LEU A 60 15.500 -14.347 17.836 1.00 0.00 ATOM 478 CB LEU A 60 14.560 -13.244 17.341 1.00 0.00 ATOM 479 CG LEU A 60 15.145 -11.831 17.285 1.00 0.00 ATOM 480 CD1 LEU A 60 16.319 -11.772 16.320 1.00 0.00 ATOM 481 CD2 LEU A 60 14.096 -10.835 16.817 1.00 0.00 ATOM 482 O LEU A 60 17.085 -13.446 19.430 1.00 0.00 ATOM 483 C LEU A 60 15.962 -13.944 19.237 1.00 0.00 ATOM 484 N THR A 61 15.077 -14.147 20.236 1.00 0.00 ATOM 485 CA THR A 61 15.408 -13.810 21.617 1.00 0.00 ATOM 486 CB THR A 61 14.236 -14.178 22.545 1.00 0.00 ATOM 487 CG2 THR A 61 14.587 -13.872 23.993 1.00 0.00 ATOM 488 OG1 THR A 61 13.076 -13.420 22.178 1.00 0.00 ATOM 489 O THR A 61 17.529 -14.023 22.745 1.00 0.00 ATOM 490 C THR A 61 16.652 -14.575 22.077 1.00 0.00 ATOM 491 N VAL A 62 16.711 -15.850 21.714 1.00 0.00 ATOM 492 CA VAL A 62 17.846 -16.697 22.070 1.00 0.00 ATOM 493 CB VAL A 62 17.603 -18.164 21.668 1.00 0.00 ATOM 494 CG1 VAL A 62 18.862 -18.991 21.883 1.00 0.00 ATOM 495 CG2 VAL A 62 16.483 -18.766 22.503 1.00 0.00 ATOM 496 O VAL A 62 20.197 -16.160 21.975 1.00 0.00 ATOM 497 C VAL A 62 19.125 -16.221 21.367 1.00 0.00 ATOM 498 N ALA A 63 19.004 -15.872 20.088 1.00 0.00 ATOM 499 CA ALA A 63 20.147 -15.395 19.319 1.00 0.00 ATOM 500 CB ALA A 63 19.734 -15.094 17.886 1.00 0.00 ATOM 501 O ALA A 63 21.916 -13.990 20.129 1.00 0.00 ATOM 502 C ALA A 63 20.693 -14.115 19.958 1.00 0.00 ATOM 503 N ALA A 64 19.798 -13.247 20.389 1.00 0.00 ATOM 504 CA ALA A 64 20.255 -12.014 20.984 1.00 0.00 ATOM 505 CB ALA A 64 19.054 -11.138 21.303 1.00 0.00 ATOM 506 O ALA A 64 22.129 -11.736 22.467 1.00 0.00 ATOM 507 C ALA A 64 21.038 -12.270 22.281 1.00 0.00 ATOM 508 N GLU A 65 20.478 -13.090 23.165 1.00 0.00 ATOM 509 CA GLU A 65 21.124 -13.405 24.437 1.00 0.00 ATOM 510 CB GLU A 65 20.210 -14.277 25.301 1.00 0.00 ATOM 511 CG GLU A 65 18.981 -13.556 25.828 1.00 0.00 ATOM 512 CD GLU A 65 18.063 -14.470 26.617 1.00 0.00 ATOM 513 OE1 GLU A 65 18.370 -15.676 26.719 1.00 0.00 ATOM 514 OE2 GLU A 65 17.040 -13.978 27.136 1.00 0.00 ATOM 515 O GLU A 65 23.313 -14.121 25.124 1.00 0.00 ATOM 516 C GLU A 65 22.444 -14.162 24.249 1.00 0.00 ATOM 517 N LEU A 66 22.590 -14.844 23.115 1.00 0.00 ATOM 518 CA LEU A 66 23.810 -15.591 22.806 1.00 0.00 ATOM 519 CB LEU A 66 23.478 -16.841 21.986 1.00 0.00 ATOM 520 CG LEU A 66 22.583 -17.880 22.666 1.00 0.00 ATOM 521 CD1 LEU A 66 22.252 -19.015 21.710 1.00 0.00 ATOM 522 CD2 LEU A 66 23.273 -18.470 23.886 1.00 0.00 ATOM 523 O LEU A 66 25.931 -15.005 21.910 1.00 0.00 ATOM 524 C LEU A 66 24.789 -14.647 22.118 1.00 0.00 ATOM 525 N GLY A 67 24.317 -13.432 21.766 1.00 0.00 ATOM 526 CA GLY A 67 25.164 -12.469 21.080 1.00 0.00 ATOM 527 O GLY A 67 26.697 -12.598 19.256 1.00 0.00 ATOM 528 C GLY A 67 25.602 -12.936 19.702 1.00 0.00 ATOM 529 N ASN A 68 24.753 -13.697 19.022 1.00 0.00 ATOM 530 CA ASN A 68 25.095 -14.213 17.698 1.00 0.00 ATOM 531 CB ASN A 68 23.990 -15.136 17.180 1.00 0.00 ATOM 532 CG ASN A 68 23.976 -16.479 17.883 1.00 0.00 ATOM 533 ND2 ASN A 68 22.846 -17.172 17.807 1.00 0.00 ATOM 534 OD1 ASN A 68 24.969 -16.886 18.484 1.00 0.00 ATOM 535 O ASN A 68 26.190 -13.148 15.838 1.00 0.00 ATOM 536 C ASN A 68 25.298 -13.081 16.675 1.00 0.00 ATOM 537 N ASN A 69 24.453 -12.089 16.687 1.00 0.00 ATOM 538 CA ASN A 69 24.576 -11.001 15.751 1.00 0.00 ATOM 539 CB ASN A 69 23.573 -9.933 15.906 1.00 0.00 ATOM 540 CG ASN A 69 23.544 -9.021 14.700 1.00 0.00 ATOM 541 ND2 ASN A 69 23.752 -7.727 14.918 1.00 0.00 ATOM 542 OD1 ASN A 69 23.349 -9.485 13.573 1.00 0.00 ATOM 543 O ASN A 69 26.531 -9.845 14.980 1.00 0.00 ATOM 544 C ASN A 69 25.862 -10.207 15.949 1.00 0.00 ATOM 545 N ALA A 70 26.214 -9.943 17.201 1.00 0.00 ATOM 546 CA ALA A 70 27.440 -9.210 17.479 1.00 0.00 ATOM 547 CB ALA A 70 27.588 -8.969 18.973 1.00 0.00 ATOM 548 O ALA A 70 29.556 -9.542 16.368 1.00 0.00 ATOM 549 C ALA A 70 28.606 -10.057 16.965 1.00 0.00 ATOM 550 N LEU A 71 28.541 -11.356 17.234 1.00 0.00 ATOM 551 CA LEU A 71 29.607 -12.268 16.836 1.00 0.00 ATOM 552 CB LEU A 71 29.254 -13.706 17.219 1.00 0.00 ATOM 553 CG LEU A 71 30.281 -14.778 16.846 1.00 0.00 ATOM 554 CD1 LEU A 71 31.604 -14.524 17.554 1.00 0.00 ATOM 555 CD2 LEU A 71 29.785 -16.159 17.247 1.00 0.00 ATOM 556 O LEU A 71 30.966 -12.003 14.874 1.00 0.00 ATOM 557 C LEU A 71 29.840 -12.214 15.334 1.00 0.00 ATOM 558 N PRO A 72 28.773 -12.365 14.560 1.00 0.00 ATOM 559 CA PRO A 72 28.900 -12.328 13.111 1.00 0.00 ATOM 560 CB PRO A 72 27.493 -12.702 12.614 1.00 0.00 ATOM 561 CG PRO A 72 26.903 -13.474 13.668 1.00 0.00 ATOM 562 CD PRO A 72 27.416 -12.891 14.982 1.00 0.00 ATOM 563 O PRO A 72 30.237 -10.915 11.823 1.00 0.00 ATOM 564 C PRO A 72 29.383 -10.919 12.689 1.00 0.00 ATOM 565 N PRO A 73 28.883 -9.744 13.268 1.00 0.00 ATOM 566 CA PRO A 73 29.406 -8.406 12.929 1.00 0.00 ATOM 567 CB PRO A 73 28.434 -7.500 13.750 1.00 0.00 ATOM 568 CG PRO A 73 27.167 -8.280 13.747 1.00 0.00 ATOM 569 CD PRO A 73 27.644 -9.705 13.993 1.00 0.00 ATOM 570 O PRO A 73 31.513 -7.297 12.631 1.00 0.00 ATOM 571 C PRO A 73 30.888 -8.177 13.224 1.00 0.00 ATOM 572 N THR A 74 31.455 -8.967 14.130 1.00 0.00 ATOM 573 CA THR A 74 32.865 -8.807 14.465 1.00 0.00 ATOM 574 CB THR A 74 33.130 -9.126 15.949 1.00 0.00 ATOM 575 CG2 THR A 74 32.338 -8.188 16.846 1.00 0.00 ATOM 576 OG1 THR A 74 32.740 -10.476 16.228 1.00 0.00 ATOM 577 O THR A 74 34.995 -9.828 14.031 1.00 0.00 ATOM 578 C THR A 74 33.822 -9.704 13.675 1.00 0.00 ATOM 579 N LYS A 75 33.321 -10.352 12.626 1.00 0.00 ATOM 580 CA LYS A 75 34.163 -11.216 11.805 1.00 0.00 ATOM 581 CB LYS A 75 33.436 -11.611 10.519 1.00 0.00 ATOM 582 CG LYS A 75 34.217 -12.566 9.632 1.00 0.00 ATOM 583 CD LYS A 75 33.411 -12.967 8.407 1.00 0.00 ATOM 584 CE LYS A 75 34.207 -13.887 7.497 1.00 0.00 ATOM 585 NZ LYS A 75 33.417 -14.317 6.311 1.00 0.00 ATOM 586 O LYS A 75 35.415 -9.345 11.061 1.00 0.00 ATOM 587 C LYS A 75 35.426 -10.459 11.530 1.00 0.00 ATOM 588 N PRO A 76 36.632 -11.121 11.711 1.00 0.00 ATOM 589 CA PRO A 76 37.884 -10.416 11.511 1.00 0.00 ATOM 590 CB PRO A 76 38.917 -11.501 11.835 1.00 0.00 ATOM 591 CG PRO A 76 38.199 -12.359 12.823 1.00 0.00 ATOM 592 CD PRO A 76 36.833 -12.449 12.327 1.00 0.00 ATOM 593 O PRO A 76 37.924 -8.396 10.229 1.00 0.00 ATOM 594 C PRO A 76 37.912 -9.628 10.205 1.00 0.00 ATOM 595 N SER A 77 37.910 -10.313 9.049 1.00 0.00 ATOM 596 CA SER A 77 37.926 -9.500 7.829 1.00 0.00 ATOM 597 CB SER A 77 38.140 -10.384 6.598 1.00 0.00 ATOM 598 OG SER A 77 38.081 -9.621 5.405 1.00 0.00 ATOM 599 O SER A 77 35.543 -9.466 7.592 1.00 0.00 ATOM 600 C SER A 77 36.569 -8.804 7.740 1.00 0.00 ATOM 601 N PHE A 78 36.530 -7.471 7.809 1.00 0.00 ATOM 602 CA PHE A 78 35.261 -6.742 7.737 1.00 0.00 ATOM 603 CB PHE A 78 34.484 -7.302 9.145 1.00 0.00 ATOM 604 CG PHE A 78 34.821 -6.330 10.238 1.00 0.00 ATOM 605 CD1 PHE A 78 33.950 -5.289 10.555 1.00 0.00 ATOM 606 CD2 PHE A 78 35.997 -6.470 10.977 1.00 0.00 ATOM 607 CE1 PHE A 78 34.242 -4.404 11.592 1.00 0.00 ATOM 608 CE2 PHE A 78 36.296 -5.590 12.015 1.00 0.00 ATOM 609 CZ PHE A 78 35.416 -4.554 12.323 1.00 0.00 ATOM 610 O PHE A 78 35.253 -4.348 7.507 1.00 0.00 ATOM 611 C PHE A 78 35.022 -5.426 6.982 1.00 0.00 ATOM 612 N PRO A 79 34.437 -5.455 5.875 1.00 0.00 ATOM 613 CA PRO A 79 34.190 -4.245 5.085 1.00 0.00 ATOM 614 CB PRO A 79 34.139 -4.780 3.647 1.00 0.00 ATOM 615 CG PRO A 79 33.506 -6.101 3.813 1.00 0.00 ATOM 616 CD PRO A 79 34.221 -6.668 5.066 1.00 0.00 ATOM 617 O PRO A 79 32.006 -4.066 6.066 1.00 0.00 ATOM 618 C PRO A 79 32.924 -3.507 5.405 1.00 0.00 ATOM 619 N SER A 80 32.908 -2.165 5.003 1.00 0.00 ATOM 620 CA SER A 80 31.743 -1.336 5.324 1.00 0.00 ATOM 621 CB SER A 80 31.954 -0.394 6.511 1.00 0.00 ATOM 622 OG SER A 80 33.025 0.501 6.267 1.00 0.00 ATOM 623 O SER A 80 32.393 -0.056 3.413 1.00 0.00 ATOM 624 C SER A 80 31.463 -0.519 4.067 1.00 0.00 ATOM 625 N SER A 81 30.190 -0.348 3.726 1.00 0.00 ATOM 626 CA SER A 81 29.814 0.406 2.534 1.00 0.00 ATOM 627 CB SER A 81 29.328 -0.517 1.412 1.00 0.00 ATOM 628 OG SER A 81 28.911 0.228 0.282 1.00 0.00 ATOM 629 O SER A 81 27.711 0.907 3.604 1.00 0.00 ATOM 630 C SER A 81 28.671 1.334 2.965 1.00 0.00 ATOM 631 N ILE A 82 28.783 2.610 2.644 1.00 0.00 ATOM 632 CA ILE A 82 27.743 3.579 2.983 1.00 0.00 ATOM 633 CB ILE A 82 28.105 4.993 2.491 1.00 0.00 ATOM 634 CG1 ILE A 82 29.304 5.538 3.269 1.00 0.00 ATOM 635 CG2 ILE A 82 26.932 5.942 2.684 1.00 0.00 ATOM 636 CD1 ILE A 82 29.894 6.800 2.680 1.00 0.00 ATOM 637 O ILE A 82 25.341 3.407 2.926 1.00 0.00 ATOM 638 C ILE A 82 26.404 3.190 2.340 1.00 0.00 ATOM 639 N GLN A 83 26.473 2.702 0.999 1.00 0.00 ATOM 640 CA GLN A 83 25.263 2.258 0.326 1.00 0.00 ATOM 641 CB GLN A 83 25.182 2.853 -1.079 1.00 0.00 ATOM 642 CG GLN A 83 23.910 2.494 -1.833 1.00 0.00 ATOM 643 CD GLN A 83 23.832 3.164 -3.192 1.00 0.00 ATOM 644 OE1 GLN A 83 24.757 3.862 -3.607 1.00 0.00 ATOM 645 NE2 GLN A 83 22.721 2.951 -3.889 1.00 0.00 ATOM 646 O GLN A 83 26.211 0.160 -0.317 1.00 0.00 ATOM 647 C GLN A 83 25.287 0.747 0.231 1.00 0.00 ATOM 648 N GLU A 84 24.267 0.116 0.788 1.00 0.00 ATOM 649 CA GLU A 84 24.222 -1.328 0.769 1.00 0.00 ATOM 650 CB GLU A 84 23.031 -1.838 1.583 1.00 0.00 ATOM 651 CG GLU A 84 22.998 -3.348 1.755 1.00 0.00 ATOM 652 CD GLU A 84 21.911 -3.802 2.709 1.00 0.00 ATOM 653 OE1 GLU A 84 21.935 -3.376 3.883 1.00 0.00 ATOM 654 OE2 GLU A 84 21.035 -4.583 2.283 1.00 0.00 ATOM 655 O GLU A 84 23.009 -1.735 -1.229 1.00 0.00 ATOM 656 C GLU A 84 24.044 -1.949 -0.607 1.00 0.00 ATOM 657 N LEU A 85 25.144 -2.654 -1.094 1.00 0.00 ATOM 658 CA LEU A 85 25.059 -3.318 -2.399 1.00 0.00 ATOM 659 CB LEU A 85 26.466 -3.548 -2.952 1.00 0.00 ATOM 660 CG LEU A 85 27.348 -2.306 -3.102 1.00 0.00 ATOM 661 CD1 LEU A 85 28.738 -2.688 -3.585 1.00 0.00 ATOM 662 CD2 LEU A 85 26.744 -1.337 -4.105 1.00 0.00 ATOM 663 O LEU A 85 24.032 -5.052 -1.126 1.00 0.00 ATOM 664 C LEU A 85 24.278 -4.600 -2.243 1.00 0.00 ATOM 665 N THR A 86 23.950 -5.030 -3.284 1.00 0.00 ATOM 666 CA THR A 86 23.224 -6.257 -3.260 1.00 0.00 ATOM 667 CB THR A 86 22.811 -6.732 -4.665 1.00 0.00 ATOM 668 CG2 THR A 86 21.904 -5.707 -5.329 1.00 0.00 ATOM 669 OG1 THR A 86 23.981 -6.910 -5.475 1.00 0.00 ATOM 670 O THR A 86 23.417 -8.355 -2.233 1.00 0.00 ATOM 671 C THR A 86 23.985 -7.350 -2.748 1.00 0.00 ATOM 672 N ASP A 87 25.300 -7.449 -2.852 1.00 0.00 ATOM 673 CA ASP A 87 26.108 -8.596 -2.353 1.00 0.00 ATOM 674 CB ASP A 87 27.383 -8.784 -3.178 1.00 0.00 ATOM 675 CG ASP A 87 28.314 -7.593 -3.091 1.00 0.00 ATOM 676 OD1 ASP A 87 27.979 -6.628 -2.370 1.00 0.00 ATOM 677 OD2 ASP A 87 29.381 -7.622 -3.742 1.00 0.00 ATOM 678 O ASP A 87 27.374 -9.218 -0.398 1.00 0.00 ATOM 679 C ASP A 87 26.575 -8.420 -0.902 1.00 0.00 ATOM 680 N ASP A 88 26.095 -7.381 -0.220 1.00 0.00 ATOM 681 CA ASP A 88 26.500 -7.163 1.164 1.00 0.00 ATOM 682 CB ASP A 88 26.924 -5.708 1.376 1.00 0.00 ATOM 683 CG ASP A 88 28.154 -5.339 0.573 1.00 0.00 ATOM 684 OD1 ASP A 88 29.164 -6.069 0.663 1.00 0.00 ATOM 685 OD2 ASP A 88 28.113 -4.318 -0.145 1.00 0.00 ATOM 686 O ASP A 88 24.225 -7.101 1.970 1.00 0.00 ATOM 687 C ASP A 88 25.389 -7.454 2.181 1.00 0.00 ATOM 688 N ASP A 89 25.760 -8.096 3.288 1.00 0.00 ATOM 689 CA ASP A 89 24.803 -8.400 4.350 1.00 0.00 ATOM 690 CB ASP A 89 25.321 -9.541 5.227 1.00 0.00 ATOM 691 CG ASP A 89 25.271 -10.886 4.526 1.00 0.00 ATOM 692 OD1 ASP A 89 24.629 -10.974 3.459 1.00 0.00 ATOM 693 OD2 ASP A 89 25.874 -11.848 5.045 1.00 0.00 ATOM 694 O ASP A 89 25.574 -6.461 5.514 1.00 0.00 ATOM 695 C ASP A 89 24.608 -7.131 5.170 1.00 0.00 ATOM 696 N MET A 90 23.280 -6.816 5.490 1.00 0.00 ATOM 697 CA MET A 90 22.963 -5.622 6.262 1.00 0.00 ATOM 698 CB MET A 90 21.472 -5.637 6.608 1.00 0.00 ATOM 699 CG MET A 90 20.557 -5.408 5.418 1.00 0.00 ATOM 700 SD MET A 90 18.814 -5.605 5.832 1.00 0.00 ATOM 701 CE MET A 90 18.585 -4.252 6.985 1.00 0.00 ATOM 702 O MET A 90 24.204 -4.413 7.924 1.00 0.00 ATOM 703 C MET A 90 23.697 -5.484 7.600 1.00 0.00 ATOM 704 N ALA A 91 23.756 -6.568 8.367 1.00 0.00 ATOM 705 CA ALA A 91 24.386 -6.538 9.677 1.00 0.00 ATOM 706 CB ALA A 91 24.179 -7.863 10.395 1.00 0.00 ATOM 707 O ALA A 91 26.430 -5.670 10.562 1.00 0.00 ATOM 708 C ALA A 91 25.885 -6.279 9.647 1.00 0.00 ATOM 709 N ILE A 92 26.564 -6.751 8.611 1.00 0.00 ATOM 710 CA ILE A 92 27.994 -6.502 8.527 1.00 0.00 ATOM 711 CB ILE A 92 28.625 -7.248 7.336 1.00 0.00 ATOM 712 CG1 ILE A 92 28.565 -8.761 7.561 1.00 0.00 ATOM 713 CG2 ILE A 92 30.081 -6.845 7.166 1.00 0.00 ATOM 714 CD1 ILE A 92 28.917 -9.574 6.336 1.00 0.00 ATOM 715 O ILE A 92 29.150 -4.429 8.973 1.00 0.00 ATOM 716 C ILE A 92 28.241 -5.007 8.357 1.00 0.00 ATOM 717 N LEU A 93 27.440 -4.398 7.523 1.00 0.00 ATOM 718 CA LEU A 93 27.573 -2.984 7.263 1.00 0.00 ATOM 719 CB LEU A 93 26.644 -2.560 6.123 1.00 0.00 ATOM 720 CG LEU A 93 27.000 -3.081 4.730 1.00 0.00 ATOM 721 CD1 LEU A 93 25.906 -2.738 3.732 1.00 0.00 ATOM 722 CD2 LEU A 93 28.302 -2.463 4.240 1.00 0.00 ATOM 723 O LEU A 93 27.928 -1.144 8.770 1.00 0.00 ATOM 724 C LEU A 93 27.280 -2.172 8.521 1.00 0.00 ATOM 725 N ASN A 94 26.328 -2.629 9.326 1.00 0.00 ATOM 726 CA ASN A 94 25.947 -1.917 10.548 1.00 0.00 ATOM 727 CB ASN A 94 24.728 -2.539 11.203 1.00 0.00 ATOM 728 CG ASN A 94 23.440 -2.079 10.551 1.00 0.00 ATOM 729 ND2 ASN A 94 22.536 -3.015 10.277 1.00 0.00 ATOM 730 OD1 ASN A 94 23.256 -0.883 10.301 1.00 0.00 ATOM 731 O ASN A 94 27.362 -0.937 12.228 1.00 0.00 ATOM 732 C ASN A 94 27.070 -1.948 11.571 1.00 0.00 ATOM 733 N ASP A 95 27.745 -3.094 11.658 1.00 0.00 ATOM 734 CA ASP A 95 28.867 -3.256 12.572 1.00 0.00 ATOM 735 CB ASP A 95 29.331 -4.713 12.598 1.00 0.00 ATOM 736 CG ASP A 95 30.423 -4.960 13.620 1.00 0.00 ATOM 737 OD1 ASP A 95 30.166 -4.756 14.825 1.00 0.00 ATOM 738 OD2 ASP A 95 31.537 -5.355 13.217 1.00 0.00 ATOM 739 O ASP A 95 30.744 -1.795 12.925 1.00 0.00 ATOM 740 C ASP A 95 30.030 -2.373 12.109 1.00 0.00 ATOM 741 N LEU A 96 30.228 -2.283 10.798 1.00 0.00 ATOM 742 CA LEU A 96 31.303 -1.455 10.256 1.00 0.00 ATOM 743 CB LEU A 96 31.481 -1.677 8.775 1.00 0.00 ATOM 744 CG LEU A 96 32.586 -2.655 8.374 1.00 0.00 ATOM 745 CD1 LEU A 96 33.942 -2.049 8.718 1.00 0.00 ATOM 746 CD2 LEU A 96 32.399 -3.990 9.077 1.00 0.00 ATOM 747 O LEU A 96 32.017 0.786 10.732 1.00 0.00 ATOM 748 C LEU A 96 31.068 0.014 10.596 1.00 0.00 ATOM 749 N HIS A 97 29.787 0.434 10.754 1.00 0.00 ATOM 750 CA HIS A 97 29.488 1.810 11.129 1.00 0.00 ATOM 751 CB HIS A 97 27.958 2.068 10.925 1.00 0.00 ATOM 752 CG HIS A 97 27.557 2.539 9.544 1.00 0.00 ATOM 753 CD2 HIS A 97 27.067 1.863 8.481 1.00 0.00 ATOM 754 ND1 HIS A 97 27.564 3.867 9.166 1.00 0.00 ATOM 755 CE1 HIS A 97 27.085 3.974 7.930 1.00 0.00 ATOM 756 NE2 HIS A 97 26.777 2.767 7.503 1.00 0.00 ATOM 757 O HIS A 97 30.463 3.177 12.877 1.00 0.00 ATOM 758 C HIS A 97 29.975 2.079 12.567 1.00 0.00 ATOM 759 N THR A 98 29.887 1.058 13.423 1.00 0.00 ATOM 760 CA THR A 98 30.350 1.181 14.795 1.00 0.00 ATOM 761 CB THR A 98 29.995 -0.067 15.625 1.00 0.00 ATOM 762 CG2 THR A 98 30.526 0.068 17.043 1.00 0.00 ATOM 763 OG1 THR A 98 28.571 -0.222 15.672 1.00 0.00 ATOM 764 O THR A 98 32.408 2.084 15.694 1.00 0.00 ATOM 765 C THR A 98 31.865 1.354 14.843 1.00 0.00 ATOM 766 N LEU A 99 32.568 0.680 13.965 1.00 0.00 ATOM 767 CA LEU A 99 34.021 0.797 13.862 1.00 0.00 ATOM 768 CB LEU A 99 34.566 -0.185 12.824 1.00 0.00 ATOM 769 CG LEU A 99 36.083 -0.184 12.620 1.00 0.00 ATOM 770 CD1 LEU A 99 36.797 -0.565 13.908 1.00 0.00 ATOM 771 CD2 LEU A 99 36.482 -1.179 11.542 1.00 0.00 ATOM 772 O LEU A 99 35.312 2.846 13.961 1.00 0.00 ATOM 773 C LEU A 99 34.376 2.241 13.439 1.00 0.00 ATOM 774 N LEU A 100 33.612 2.769 12.495 1.00 0.00 ATOM 775 CA LEU A 100 33.816 4.151 12.064 1.00 0.00 ATOM 776 CB LEU A 100 32.787 4.539 11.001 1.00 0.00 ATOM 777 CG LEU A 100 32.944 3.876 9.631 1.00 0.00 ATOM 778 CD1 LEU A 100 31.757 4.199 8.737 1.00 0.00 ATOM 779 CD2 LEU A 100 34.205 4.366 8.939 1.00 0.00 ATOM 780 O LEU A 100 34.490 6.027 13.427 1.00 0.00 ATOM 781 C LEU A 100 33.666 5.118 13.228 1.00 0.00 ATOM 782 N LEU A 101 32.572 4.952 13.959 1.00 0.00 ATOM 783 CA LEU A 101 32.276 5.818 15.084 1.00 0.00 ATOM 784 CB LEU A 101 30.882 5.446 15.644 1.00 0.00 ATOM 785 CG LEU A 101 29.677 5.963 14.832 1.00 0.00 ATOM 786 CD1 LEU A 101 28.436 5.210 15.211 1.00 0.00 ATOM 787 CD2 LEU A 101 29.511 7.469 15.055 1.00 0.00 ATOM 788 O LEU A 101 33.659 6.747 16.791 1.00 0.00 ATOM 789 C LEU A 101 33.267 5.726 16.229 1.00 0.00 ATOM 790 N GLN A 102 33.677 4.514 16.577 1.00 0.00 ATOM 791 CA GLN A 102 34.629 4.333 17.665 1.00 0.00 ATOM 792 CB GLN A 102 34.791 2.847 17.994 1.00 0.00 ATOM 793 CG GLN A 102 33.563 2.211 18.622 1.00 0.00 ATOM 794 CD GLN A 102 33.752 0.735 18.907 1.00 0.00 ATOM 795 OE1 GLN A 102 34.823 0.178 18.665 1.00 0.00 ATOM 796 NE2 GLN A 102 32.709 0.094 19.424 1.00 0.00 ATOM 797 O GLN A 102 36.843 5.171 18.110 1.00 0.00 ATOM 798 C GLN A 102 35.999 4.904 17.259 1.00 0.00 ATOM 799 N THR A 103 36.218 5.094 15.961 1.00 0.00 ATOM 800 CA THR A 103 37.484 5.663 15.506 1.00 0.00 ATOM 801 CB THR A 103 37.914 5.069 14.153 1.00 0.00 ATOM 802 CG2 THR A 103 38.074 3.559 14.260 1.00 0.00 ATOM 803 OG1 THR A 103 36.924 5.361 13.161 1.00 0.00 ATOM 804 O THR A 103 38.447 7.759 14.903 1.00 0.00 ATOM 805 C THR A 103 37.447 7.173 15.311 1.00 0.00 ATOM 806 N SER A 104 36.175 7.774 15.789 1.00 0.00 ATOM 807 CA SER A 104 36.095 9.226 15.747 1.00 0.00 ATOM 808 CB SER A 104 37.567 9.817 15.875 1.00 0.00 ATOM 809 OG SER A 104 38.267 9.605 14.640 1.00 0.00 ATOM 810 O SER A 104 35.213 11.127 14.583 1.00 0.00 ATOM 811 C SER A 104 35.231 9.899 14.679 1.00 0.00 ATOM 812 N ILE A 105 34.501 9.101 13.906 1.00 0.00 ATOM 813 CA ILE A 105 33.522 9.639 12.959 1.00 0.00 ATOM 814 CB ILE A 105 33.020 8.591 11.949 1.00 0.00 ATOM 815 CG1 ILE A 105 34.186 8.042 11.126 1.00 0.00 ATOM 816 CG2 ILE A 105 32.009 9.211 10.996 1.00 0.00 ATOM 817 CD1 ILE A 105 34.879 9.083 10.276 1.00 0.00 ATOM 818 O ILE A 105 31.841 9.468 14.660 1.00 0.00 ATOM 819 C ILE A 105 32.330 10.151 13.761 1.00 0.00 ATOM 820 N ALA A 106 31.841 11.409 13.456 1.00 0.00 ATOM 821 CA ALA A 106 30.732 12.024 14.181 1.00 0.00 ATOM 822 CB ALA A 106 30.908 13.533 14.238 1.00 0.00 ATOM 823 O ALA A 106 28.459 11.374 14.408 1.00 0.00 ATOM 824 C ALA A 106 29.426 11.553 13.602 1.00 0.00 ATOM 825 N GLU A 107 29.399 11.508 12.171 1.00 0.00 ATOM 826 CA GLU A 107 28.128 11.087 11.577 1.00 0.00 ATOM 827 CB GLU A 107 27.592 12.313 10.836 1.00 0.00 ATOM 828 CG GLU A 107 26.261 12.086 10.140 1.00 0.00 ATOM 829 CD GLU A 107 25.694 13.357 9.537 1.00 0.00 ATOM 830 OE1 GLU A 107 26.289 14.433 9.751 1.00 0.00 ATOM 831 OE2 GLU A 107 24.654 13.274 8.849 1.00 0.00 ATOM 832 O GLU A 107 29.083 10.080 9.607 1.00 0.00 ATOM 833 C GLU A 107 28.305 9.964 10.564 1.00 0.00 ATOM 834 N GLY A 108 27.591 8.871 10.785 1.00 0.00 ATOM 835 CA GLY A 108 27.685 7.752 9.870 1.00 0.00 ATOM 836 O GLY A 108 25.322 7.525 10.091 1.00 0.00 ATOM 837 C GLY A 108 26.286 7.547 9.324 1.00 0.00 ATOM 838 N GLU A 109 26.177 7.415 8.006 1.00 0.00 ATOM 839 CA GLU A 109 24.884 7.245 7.358 1.00 0.00 ATOM 840 CB GLU A 109 24.575 8.428 6.439 1.00 0.00 ATOM 841 CG GLU A 109 23.213 8.352 5.766 1.00 0.00 ATOM 842 CD GLU A 109 22.940 9.541 4.867 1.00 0.00 ATOM 843 OE1 GLU A 109 23.845 10.390 4.712 1.00 0.00 ATOM 844 OE2 GLU A 109 21.822 9.627 4.315 1.00 0.00 ATOM 845 O GLU A 109 25.838 5.689 5.785 1.00 0.00 ATOM 846 C GLU A 109 24.931 5.926 6.572 1.00 0.00 ATOM 847 N MET A 110 23.964 5.048 6.852 1.00 0.00 ATOM 848 CA MET A 110 23.882 3.777 6.148 1.00 0.00 ATOM 849 CB MET A 110 23.881 2.634 7.164 1.00 0.00 ATOM 850 CG MET A 110 23.787 1.251 6.541 1.00 0.00 ATOM 851 SD MET A 110 23.751 -0.065 7.775 1.00 0.00 ATOM 852 CE MET A 110 22.113 0.160 8.462 1.00 0.00 ATOM 853 O MET A 110 21.512 3.868 5.901 1.00 0.00 ATOM 854 C MET A 110 22.600 3.753 5.340 1.00 0.00 ATOM 855 N LYS A 111 22.689 3.588 3.991 1.00 0.00 ATOM 856 CA LYS A 111 21.510 3.580 3.156 1.00 0.00 ATOM 857 CB LYS A 111 21.676 4.508 1.951 1.00 0.00 ATOM 858 CG LYS A 111 20.468 4.552 1.031 1.00 0.00 ATOM 859 CD LYS A 111 20.710 5.472 -0.155 1.00 0.00 ATOM 860 CE LYS A 111 19.509 5.502 -1.087 1.00 0.00 ATOM 861 NZ LYS A 111 19.724 6.417 -2.241 1.00 0.00 ATOM 862 O LYS A 111 22.269 1.452 2.307 1.00 0.00 ATOM 863 C LYS A 111 21.314 2.131 2.675 1.00 0.00 ATOM 864 N CYS A 112 20.087 1.632 2.780 1.00 0.00 ATOM 865 CA CYS A 112 19.780 0.290 2.326 1.00 0.00 ATOM 866 CB CYS A 112 19.256 -0.577 3.473 1.00 0.00 ATOM 867 SG CYS A 112 18.815 -2.263 2.994 1.00 0.00 ATOM 868 O CYS A 112 17.530 0.614 1.564 1.00 0.00 ATOM 869 C CYS A 112 18.720 0.481 1.261 1.00 0.00 ATOM 870 N ARG A 113 19.142 0.531 -0.009 1.00 0.00 ATOM 871 CA ARG A 113 18.182 0.728 -1.092 1.00 0.00 ATOM 872 CB ARG A 113 18.922 0.981 -2.421 1.00 0.00 ATOM 873 CG ARG A 113 19.824 -0.146 -2.870 1.00 0.00 ATOM 874 CD ARG A 113 20.666 0.336 -4.039 1.00 0.00 ATOM 875 NE ARG A 113 21.447 -0.723 -4.672 1.00 0.00 ATOM 876 CZ ARG A 113 22.636 -1.132 -4.247 1.00 0.00 ATOM 877 NH1 ARG A 113 23.184 -0.573 -3.173 1.00 0.00 ATOM 878 NH2 ARG A 113 23.299 -2.065 -4.923 1.00 0.00 ATOM 879 O ARG A 113 15.992 -0.156 -1.643 1.00 0.00 ATOM 880 C ARG A 113 17.156 -0.369 -1.267 1.00 0.00 ATOM 881 N ASN A 114 17.675 -1.642 -0.897 1.00 0.00 ATOM 882 CA ASN A 114 16.826 -2.802 -0.903 1.00 0.00 ATOM 883 CB ASN A 114 17.624 -4.090 -0.696 1.00 0.00 ATOM 884 CG ASN A 114 18.595 -4.362 -1.829 1.00 0.00 ATOM 885 ND2 ASN A 114 19.615 -5.167 -1.552 1.00 0.00 ATOM 886 OD1 ASN A 114 18.428 -3.854 -2.937 1.00 0.00 ATOM 887 O ASN A 114 14.513 -3.130 -0.286 1.00 0.00 ATOM 888 C ASN A 114 15.642 -2.753 0.067 1.00 0.00 ATOM 889 N CYS A 115 15.831 -2.329 1.233 1.00 0.00 ATOM 890 CA CYS A 115 14.794 -2.116 2.254 1.00 0.00 ATOM 891 CB CYS A 115 15.662 -2.513 3.681 1.00 0.00 ATOM 892 SG CYS A 115 17.210 -3.389 3.480 1.00 0.00 ATOM 893 O CYS A 115 13.272 -0.371 2.862 1.00 0.00 ATOM 894 C CYS A 115 14.260 -0.688 2.208 1.00 0.00 ATOM 895 N GLY A 116 14.939 0.172 1.406 1.00 0.00 ATOM 896 CA GLY A 116 14.499 1.548 1.270 1.00 0.00 ATOM 897 O GLY A 116 13.432 2.788 3.034 1.00 0.00 ATOM 898 C GLY A 116 14.444 2.201 2.628 1.00 0.00 ATOM 899 N HIS A 117 15.543 2.050 3.354 1.00 0.00 ATOM 900 CA HIS A 117 15.645 2.621 4.673 1.00 0.00 ATOM 901 CB HIS A 117 15.534 1.590 5.793 1.00 0.00 ATOM 902 CG HIS A 117 16.643 0.588 5.887 1.00 0.00 ATOM 903 CD2 HIS A 117 16.633 -0.715 6.254 1.00 0.00 ATOM 904 ND1 HIS A 117 17.966 0.905 5.664 1.00 0.00 ATOM 905 CE1 HIS A 117 18.719 -0.155 5.890 1.00 0.00 ATOM 906 NE2 HIS A 117 17.933 -1.154 6.251 1.00 0.00 ATOM 907 O HIS A 117 17.939 2.997 4.060 1.00 0.00 ATOM 908 C HIS A 117 17.015 3.259 4.835 1.00 0.00 ATOM 909 N ILE A 118 17.127 4.134 5.821 1.00 0.00 ATOM 910 CA ILE A 118 18.392 4.770 6.107 1.00 0.00 ATOM 911 CB ILE A 118 18.438 6.207 5.557 1.00 0.00 ATOM 912 CG1 ILE A 118 18.269 6.201 4.035 1.00 0.00 ATOM 913 CG2 ILE A 118 19.770 6.864 5.890 1.00 0.00 ATOM 914 CD1 ILE A 118 18.124 7.581 3.432 1.00 0.00 ATOM 915 O ILE A 118 17.593 4.974 8.368 1.00 0.00 ATOM 916 C ILE A 118 18.559 4.801 7.618 1.00 0.00 ATOM 917 N TYR A 119 19.785 4.587 8.072 1.00 0.00 ATOM 918 CA TYR A 119 20.046 4.608 9.497 1.00 0.00 ATOM 919 CB TYR A 119 20.330 3.150 9.920 1.00 0.00 ATOM 920 CG TYR A 119 20.538 2.839 11.389 1.00 0.00 ATOM 921 CD1 TYR A 119 21.632 3.343 12.096 1.00 0.00 ATOM 922 CD2 TYR A 119 19.683 1.952 12.046 1.00 0.00 ATOM 923 CE1 TYR A 119 21.871 2.960 13.422 1.00 0.00 ATOM 924 CE2 TYR A 119 19.913 1.563 13.364 1.00 0.00 ATOM 925 CZ TYR A 119 21.007 2.067 14.044 1.00 0.00 ATOM 926 OH TYR A 119 21.243 1.657 15.341 1.00 0.00 ATOM 927 O TYR A 119 22.112 5.727 9.002 1.00 0.00 ATOM 928 C TYR A 119 21.112 5.667 9.721 1.00 0.00 ATOM 929 N TYR A 120 20.912 6.521 10.742 1.00 0.00 ATOM 930 CA TYR A 120 21.859 7.572 11.090 1.00 0.00 ATOM 931 CB TYR A 120 21.180 8.938 11.216 1.00 0.00 ATOM 932 CG TYR A 120 20.698 9.505 9.901 1.00 0.00 ATOM 933 CD1 TYR A 120 19.403 9.269 9.456 1.00 0.00 ATOM 934 CD2 TYR A 120 21.537 10.274 9.106 1.00 0.00 ATOM 935 CE1 TYR A 120 18.952 9.784 8.254 1.00 0.00 ATOM 936 CE2 TYR A 120 21.106 10.797 7.902 1.00 0.00 ATOM 937 CZ TYR A 120 19.801 10.545 7.480 1.00 0.00 ATOM 938 OH TYR A 120 19.356 11.059 6.283 1.00 0.00 ATOM 939 O TYR A 120 21.815 6.981 13.416 1.00 0.00 ATOM 940 C TYR A 120 22.512 7.237 12.428 1.00 0.00 ATOM 941 N ILE A 121 23.849 7.249 12.449 1.00 0.00 ATOM 942 CA ILE A 121 24.635 6.955 13.651 1.00 0.00 ATOM 943 CB ILE A 121 25.632 5.806 13.409 1.00 0.00 ATOM 944 CG1 ILE A 121 24.885 4.523 13.040 1.00 0.00 ATOM 945 CG2 ILE A 121 26.454 5.543 14.661 1.00 0.00 ATOM 946 CD1 ILE A 121 25.791 3.407 12.563 1.00 0.00 ATOM 947 O ILE A 121 26.174 8.766 13.290 1.00 0.00 ATOM 948 C ILE A 121 25.431 8.175 14.085 1.00 0.00 ATOM 949 N LYS A 122 25.270 8.545 15.353 1.00 0.00 ATOM 950 CA LYS A 122 25.964 9.694 15.927 1.00 0.00 ATOM 951 CB LYS A 122 24.981 10.834 16.197 1.00 0.00 ATOM 952 CG LYS A 122 24.360 11.428 14.945 1.00 0.00 ATOM 953 CD LYS A 122 23.430 12.582 15.284 1.00 0.00 ATOM 954 CE LYS A 122 22.786 13.159 14.035 1.00 0.00 ATOM 955 NZ LYS A 122 21.866 14.285 14.351 1.00 0.00 ATOM 956 O LYS A 122 26.068 8.350 17.897 1.00 0.00 ATOM 957 C LYS A 122 26.596 9.229 17.225 1.00 0.00 ATOM 958 N ASN A 123 27.767 9.959 17.435 1.00 0.00 ATOM 959 CA ASN A 123 28.455 9.612 18.676 1.00 0.00 ATOM 960 CB ASN A 123 29.443 10.692 18.918 1.00 0.00 ATOM 961 CG ASN A 123 30.748 10.068 18.480 1.00 0.00 ATOM 962 ND2 ASN A 123 31.755 10.911 18.139 1.00 0.00 ATOM 963 OD1 ASN A 123 30.883 8.854 18.510 1.00 0.00 ATOM 964 O ASN A 123 27.086 11.100 19.929 1.00 0.00 ATOM 965 C ASN A 123 27.589 9.979 19.860 1.00 0.00 ATOM 966 N GLY A 124 27.439 9.054 20.796 1.00 0.00 ATOM 967 CA GLY A 124 26.668 9.327 21.989 1.00 0.00 ATOM 968 O GLY A 124 24.438 9.855 22.659 1.00 0.00 ATOM 969 C GLY A 124 25.167 9.371 21.789 1.00 0.00 ATOM 970 N ILE A 125 24.693 8.863 20.663 1.00 0.00 ATOM 971 CA ILE A 125 23.261 8.875 20.406 1.00 0.00 ATOM 972 CB ILE A 125 22.896 9.931 19.346 1.00 0.00 ATOM 973 CG1 ILE A 125 23.226 11.335 19.857 1.00 0.00 ATOM 974 CG2 ILE A 125 21.410 9.872 19.024 1.00 0.00 ATOM 975 CD1 ILE A 125 23.135 12.407 18.794 1.00 0.00 ATOM 976 O ILE A 125 23.329 7.019 18.874 1.00 0.00 ATOM 977 C ILE A 125 22.727 7.572 19.815 1.00 0.00 ATOM 978 N PRO A 126 21.600 7.117 20.326 1.00 0.00 ATOM 979 CA PRO A 126 20.965 5.961 19.723 1.00 0.00 ATOM 980 CB PRO A 126 19.636 5.879 20.465 1.00 0.00 ATOM 981 CG PRO A 126 19.917 6.495 21.816 1.00 0.00 ATOM 982 CD PRO A 126 20.845 7.625 21.499 1.00 0.00 ATOM 983 O PRO A 126 20.140 7.132 17.736 1.00 0.00 ATOM 984 C PRO A 126 20.701 6.127 18.214 1.00 0.00 ATOM 985 N ASN A 127 21.154 5.151 17.450 1.00 0.00 ATOM 986 CA ASN A 127 21.042 5.197 15.993 1.00 0.00 ATOM 987 CB ASN A 127 22.063 4.201 15.381 1.00 0.00 ATOM 988 CG ASN A 127 23.483 4.388 15.918 1.00 0.00 ATOM 989 ND2 ASN A 127 24.067 3.312 16.460 1.00 0.00 ATOM 990 OD1 ASN A 127 24.052 5.483 15.839 1.00 0.00 ATOM 991 O ASN A 127 18.712 4.676 16.159 1.00 0.00 ATOM 992 C ASN A 127 19.577 5.308 15.567 1.00 0.00 ATOM 993 N LEU A 128 19.316 6.150 14.578 1.00 0.00 ATOM 994 CA LEU A 128 17.975 6.402 14.075 1.00 0.00 ATOM 995 CB LEU A 128 17.775 7.898 13.826 1.00 0.00 ATOM 996 CG LEU A 128 16.418 8.313 13.252 1.00 0.00 ATOM 997 CD1 LEU A 128 15.303 8.022 14.245 1.00 0.00 ATOM 998 CD2 LEU A 128 16.400 9.804 12.943 1.00 0.00 ATOM 999 O LEU A 128 18.380 5.946 11.761 1.00 0.00 ATOM 1000 C LEU A 128 17.736 5.659 12.765 1.00 0.00 ATOM 1001 N LEU A 129 16.794 4.723 12.775 1.00 0.00 ATOM 1002 CA LEU A 129 16.459 3.932 11.592 1.00 0.00 ATOM 1003 CB LEU A 129 16.453 2.424 11.919 1.00 0.00 ATOM 1004 CG LEU A 129 16.084 1.512 10.739 1.00 0.00 ATOM 1005 CD1 LEU A 129 17.176 1.586 9.679 1.00 0.00 ATOM 1006 CD2 LEU A 129 15.877 0.087 11.225 1.00 0.00 ATOM 1007 O LEU A 129 14.089 4.291 11.683 1.00 0.00 ATOM 1008 C LEU A 129 15.117 4.378 11.012 1.00 0.00 ATOM 1009 N LEU A 130 15.111 4.842 9.814 1.00 0.00 ATOM 1010 CA LEU A 130 13.926 5.320 9.122 1.00 0.00 ATOM 1011 CB LEU A 130 13.916 6.843 8.979 1.00 0.00 ATOM 1012 CG LEU A 130 12.752 7.335 8.098 1.00 0.00 ATOM 1013 CD1 LEU A 130 11.421 6.969 8.753 1.00 0.00 ATOM 1014 CD2 LEU A 130 12.847 8.836 7.885 1.00 0.00 ATOM 1015 O LEU A 130 14.605 5.011 6.842 1.00 0.00 ATOM 1016 C LEU A 130 13.800 4.713 7.730 1.00 0.00 ATOM 1017 N PRO A 131 12.831 3.799 7.543 1.00 0.00 ATOM 1018 CA PRO A 131 12.629 3.165 6.235 1.00 0.00 ATOM 1019 CB PRO A 131 11.843 1.918 6.588 1.00 0.00 ATOM 1020 CG PRO A 131 11.005 2.386 7.741 1.00 0.00 ATOM 1021 CD PRO A 131 12.026 3.155 8.593 1.00 0.00 ATOM 1022 O PRO A 131 10.865 4.725 5.811 1.00 0.00 ATOM 1023 C PRO A 131 11.981 4.324 5.486 1.00 0.00 ATOM 1024 N PRO A 132 12.622 5.026 4.426 1.00 0.00 ATOM 1025 CA PRO A 132 12.024 6.182 3.738 1.00 0.00 ATOM 1026 CB PRO A 132 13.106 6.601 2.737 1.00 0.00 ATOM 1027 CG PRO A 132 14.373 6.062 3.293 1.00 0.00 ATOM 1028 CD PRO A 132 14.004 4.773 3.976 1.00 0.00 ATOM 1029 O PRO A 132 9.908 6.784 2.743 1.00 0.00 ATOM 1030 C PRO A 132 10.706 5.878 3.001 1.00 0.00 ATOM 1031 N HIS A 133 10.481 4.610 2.682 1.00 0.00 ATOM 1032 CA HIS A 133 9.257 4.172 2.027 1.00 0.00 ATOM 1033 CB HIS A 133 9.502 3.187 0.921 1.00 0.00 ATOM 1034 CG HIS A 133 10.381 3.762 -0.170 1.00 0.00 ATOM 1035 CD2 HIS A 133 11.517 3.320 -0.680 1.00 0.00 ATOM 1036 ND1 HIS A 133 10.057 4.935 -0.824 1.00 0.00 ATOM 1037 CE1 HIS A 133 11.016 5.165 -1.704 1.00 0.00 ATOM 1038 NE2 HIS A 133 11.937 4.211 -1.638 1.00 0.00 ATOM 1039 O HIS A 133 7.086 3.306 2.665 1.00 0.00 ATOM 1040 C HIS A 133 8.199 3.713 3.036 1.00 0.00 ATOM 1041 N LEU A 134 8.528 3.803 4.319 1.00 0.00 ATOM 1042 CA LEU A 134 7.641 3.312 5.363 1.00 0.00 ATOM 1043 CB LEU A 134 8.293 2.144 6.106 1.00 0.00 ATOM 1044 CG LEU A 134 8.523 0.864 5.296 1.00 0.00 ATOM 1045 CD1 LEU A 134 9.371 -0.114 6.089 1.00 0.00 ATOM 1046 CD2 LEU A 134 7.181 0.249 4.897 1.00 0.00 ATOM 1047 O LEU A 134 6.105 4.337 6.876 1.00 0.00 ATOM 1048 C LEU A 134 7.231 4.363 6.393 1.00 0.00 ATOM 1049 N VAL A 135 8.142 5.274 6.736 1.00 0.00 ATOM 1050 CA VAL A 135 7.877 6.263 7.773 1.00 0.00 ATOM 1051 CB VAL A 135 8.772 5.965 9.035 1.00 0.00 ATOM 1052 CG1 VAL A 135 8.531 6.965 10.148 1.00 0.00 ATOM 1053 CG2 VAL A 135 8.504 4.550 9.559 1.00 0.00 ATOM 1054 O VAL A 135 9.171 7.762 6.440 1.00 0.00 ATOM 1055 C VAL A 135 8.312 7.638 7.313 1.00 0.00 ENDMDL EXPDTA 2j6aA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2j6aA ATOM 1 N MET 1 19.564 8.334 17.783 1.00 0.00 ATOM 2 CA MET 1 19.264 6.893 17.968 1.00 0.00 ATOM 3 CB MET 1 17.772 6.595 17.758 1.00 0.00 ATOM 4 CG MET 1 17.293 6.436 16.357 1.00 0.00 ATOM 5 SD MET 1 15.676 5.609 16.252 1.00 0.00 ATOM 6 CE MET 1 15.822 5.012 14.566 1.00 0.00 ATOM 7 O MET 1 20.398 6.380 15.900 1.00 0.00 ATOM 8 C MET 1 20.179 6.058 17.066 1.00 0.00 ATOM 9 N LYS 2 20.733 5.003 17.632 1.00 0.00 ATOM 10 CA LYS 2 21.709 4.196 16.900 1.00 0.00 ATOM 11 CB LYS 2 22.292 3.093 17.793 1.00 0.00 ATOM 12 CG LYS 2 23.186 3.576 18.921 1.00 0.00 ATOM 13 CD LYS 2 23.661 2.395 19.739 1.00 0.00 ATOM 14 CE LYS 2 23.955 2.801 21.176 1.00 0.00 ATOM 15 NZ LYS 2 24.842 3.983 21.238 1.00 0.00 ATOM 16 O LYS 2 19.898 3.260 15.602 1.00 0.00 ATOM 17 C LYS 2 21.098 3.586 15.640 1.00 0.00 ATOM 18 N PHE 3 21.937 3.422 14.616 1.00 0.00 ATOM 19 CA PHE 3 21.491 2.752 13.390 1.00 0.00 ATOM 20 CB PHE 3 22.641 2.531 12.401 1.00 0.00 ATOM 21 CG PHE 3 22.209 1.831 11.123 1.00 0.00 ATOM 22 CD1 PHE 3 21.762 2.579 10.038 1.00 0.00 ATOM 23 CD2 PHE 3 22.232 0.439 11.011 1.00 0.00 ATOM 24 CE1 PHE 3 21.335 1.960 8.855 1.00 0.00 ATOM 25 CE2 PHE 3 21.827 -0.203 9.818 1.00 0.00 ATOM 26 CZ PHE 3 21.371 0.569 8.733 1.00 0.00 ATOM 27 O PHE 3 19.776 1.111 13.099 1.00 0.00 ATOM 28 C PHE 3 20.787 1.428 13.701 1.00 0.00 ATOM 29 N LEU 4 21.324 0.659 14.640 1.00 0.00 ATOM 30 CA LEU 4 20.724 -0.631 15.040 1.00 0.00 ATOM 31 CB LEU 4 21.433 -1.158 16.293 1.00 0.00 ATOM 32 CG LEU 4 20.878 -2.478 16.827 1.00 0.00 ATOM 33 CD1 LEU 4 21.097 -3.510 15.736 1.00 0.00 ATOM 34 CD2 LEU 4 21.612 -2.832 18.140 1.00 0.00 ATOM 35 O LEU 4 18.456 -1.466 14.974 1.00 0.00 ATOM 36 C LEU 4 19.230 -0.564 15.335 1.00 0.00 ATOM 37 N THR 5 18.825 0.515 16.004 1.00 0.00 ATOM 38 CA THR 5 17.442 0.724 16.369 1.00 0.00 ATOM 39 CB THR 5 17.291 2.015 17.202 1.00 0.00 ATOM 40 CG2 THR 5 15.851 2.132 17.729 1.00 0.00 ATOM 41 OG1 THR 5 18.214 1.979 18.305 1.00 0.00 ATOM 42 O THR 5 15.332 0.289 15.269 1.00 0.00 ATOM 43 C THR 5 16.481 0.737 15.148 1.00 0.00 ATOM 44 N THR 6 16.932 1.231 13.989 1.00 0.00 ATOM 45 CA THR 6 16.083 1.251 12.787 1.00 0.00 ATOM 46 CB THR 6 16.785 1.873 11.524 1.00 0.00 ATOM 47 CG2 THR 6 17.416 3.253 11.817 1.00 0.00 ATOM 48 OG1 THR 6 17.798 0.986 11.051 1.00 0.00 ATOM 49 O THR 6 14.729 -0.411 11.684 1.00 0.00 ATOM 50 C THR 6 15.681 -0.188 12.419 1.00 0.00 ATOM 51 N ASN 7 16.442 -1.164 12.901 1.00 0.00 ATOM 52 CA ASN 7 16.135 -2.562 12.605 1.00 0.00 ATOM 53 CB ASN 7 17.391 -3.456 12.734 1.00 0.00 ATOM 54 CG ASN 7 17.288 -4.732 11.916 1.00 0.00 ATOM 55 ND2 ASN 7 17.349 -4.604 10.588 1.00 0.00 ATOM 56 OD1 ASN 7 17.130 -5.815 12.467 1.00 0.00 ATOM 57 O ASN 7 14.540 -4.238 13.207 1.00 0.00 ATOM 58 C ASN 7 14.996 -3.120 13.454 1.00 0.00 ATOM 59 N PHE 8 14.522 -2.346 14.431 1.00 0.00 ATOM 60 CA PHE 8 13.506 -2.838 15.370 1.00 0.00 ATOM 61 CB PHE 8 14.152 -3.136 16.731 1.00 0.00 ATOM 62 CG PHE 8 15.197 -4.209 16.651 1.00 0.00 ATOM 63 CD1 PHE 8 14.839 -5.559 16.732 1.00 0.00 ATOM 64 CD2 PHE 8 16.524 -3.875 16.410 1.00 0.00 ATOM 65 CE1 PHE 8 15.802 -6.554 16.612 1.00 0.00 ATOM 66 CE2 PHE 8 17.499 -4.875 16.287 1.00 0.00 ATOM 67 CZ PHE 8 17.134 -6.197 16.391 1.00 0.00 ATOM 68 O PHE 8 11.445 -2.168 16.366 1.00 0.00 ATOM 69 C PHE 8 12.297 -1.924 15.519 1.00 0.00 ATOM 70 N LEU 9 12.269 -0.854 14.732 1.00 0.00 ATOM 71 CA LEU 9 11.195 0.136 14.777 1.00 0.00 ATOM 72 CB LEU 9 11.777 1.547 14.686 1.00 0.00 ATOM 73 CG LEU 9 12.111 2.416 15.892 1.00 0.00 ATOM 74 CD1 LEU 9 12.397 3.801 15.334 1.00 0.00 ATOM 75 CD2 LEU 9 10.993 2.485 16.960 1.00 0.00 ATOM 76 O LEU 9 10.533 -0.024 12.475 1.00 0.00 ATOM 77 C LEU 9 10.183 -0.073 13.657 1.00 0.00 ATOM 78 N LYS 10 8.928 -0.328 14.042 1.00 0.00 ATOM 79 CA LYS 10 7.837 -0.489 13.104 1.00 0.00 ATOM 80 CB LYS 10 7.165 -1.879 13.230 1.00 0.00 ATOM 81 CG LYS 10 6.511 -2.166 14.583 1.00 0.00 ATOM 82 CD LYS 10 5.797 -3.524 14.612 1.00 0.00 ATOM 83 CE LYS 10 4.946 -3.665 15.873 1.00 0.00 ATOM 84 NZ LYS 10 3.968 -4.793 15.742 1.00 0.00 ATOM 85 O LYS 10 6.816 1.184 14.492 1.00 0.00 ATOM 86 C LYS 10 6.817 0.609 13.386 1.00 0.00 ATOM 87 N CYS 11 5.957 0.873 12.405 1.00 0.00 ATOM 88 CA CYS 11 4.870 1.854 12.550 1.00 0.00 ATOM 89 CB CYS 11 3.969 1.836 11.319 1.00 0.00 ATOM 90 SG CYS 11 2.560 3.006 11.420 1.00 0.00 ATOM 91 O CYS 11 3.674 0.445 14.095 1.00 0.00 ATOM 92 C CYS 11 4.028 1.588 13.798 1.00 0.00 ATOM 93 N SER 12 3.726 2.659 14.528 1.00 0.00 ATOM 94 CA SER 12 3.036 2.528 15.818 1.00 0.00 ATOM 95 CB SER 12 3.375 3.692 16.733 1.00 0.00 ATOM 96 OG SER 12 2.872 4.878 16.167 1.00 0.00 ATOM 97 O SER 12 0.822 2.233 16.613 1.00 0.00 ATOM 98 C SER 12 1.527 2.457 15.646 1.00 0.00 ATOM 99 N VAL 13 1.025 2.665 14.432 1.00 0.00 ATOM 100 CA VAL 13 -0.410 2.506 14.190 1.00 0.00 ATOM 101 CB VAL 13 -0.875 3.224 12.899 1.00 0.00 ATOM 102 CG1 VAL 13 -2.370 2.974 12.635 1.00 0.00 ATOM 103 CG2 VAL 13 -0.553 4.714 12.979 1.00 0.00 ATOM 104 O VAL 13 -0.305 0.243 13.360 1.00 0.00 ATOM 105 C VAL 13 -0.778 1.018 14.184 1.00 0.00 ATOM 106 N LYS 14 -1.642 0.643 15.123 1.00 0.00 ATOM 107 CA LYS 14 -2.040 -0.758 15.347 1.00 0.00 ATOM 108 CB LYS 14 -2.961 -0.845 16.580 1.00 0.00 ATOM 109 CG LYS 14 -2.669 0.238 17.672 1.00 0.00 ATOM 110 CD LYS 14 -3.141 1.663 17.240 1.00 0.00 ATOM 111 CE LYS 14 -2.249 2.777 17.752 1.00 0.00 ATOM 112 NZ LYS 14 -2.474 4.077 17.041 1.00 0.00 ATOM 113 O LYS 14 -2.463 -2.607 13.839 1.00 0.00 ATOM 114 C LYS 14 -2.665 -1.411 14.101 1.00 0.00 ATOM 115 N ALA 15 -3.396 -0.617 13.311 1.00 0.00 ATOM 116 CA ALA 15 -3.965 -1.076 12.038 1.00 0.00 ATOM 117 CB ALA 15 -4.838 0.031 11.410 1.00 0.00 ATOM 118 O ALA 15 -3.214 -2.334 10.136 1.00 0.00 ATOM 119 C ALA 15 -2.910 -1.548 11.024 1.00 0.00 ATOM 120 N CYS 16 -1.676 -1.044 11.152 1.00 0.00 ATOM 121 CA CYS 16 -0.581 -1.417 10.263 1.00 0.00 ATOM 122 CB CYS 16 0.459 -0.288 10.214 1.00 0.00 ATOM 123 SG CYS 16 -0.074 1.100 9.206 1.00 0.00 ATOM 124 O CYS 16 0.863 -3.290 9.822 1.00 0.00 ATOM 125 C CYS 16 0.103 -2.743 10.632 1.00 0.00 ATOM 126 N ASP 17 -0.158 -3.243 11.841 1.00 0.00 ATOM 127 CA ASP 17 0.495 -4.464 12.350 1.00 0.00 ATOM 128 CB ASP 17 -0.095 -4.870 13.694 1.00 0.00 ATOM 129 CG ASP 17 0.445 -4.046 14.841 1.00 0.00 ATOM 130 OD1 ASP 17 1.229 -3.099 14.595 1.00 0.00 ATOM 131 OD2 ASP 17 0.084 -4.352 16.003 1.00 0.00 ATOM 132 O ASP 17 1.374 -6.459 11.339 1.00 0.00 ATOM 133 C ASP 17 0.432 -5.656 11.403 1.00 0.00 ATOM 134 N THR 18 -0.673 -5.764 10.671 1.00 0.00 ATOM 135 CA THR 18 -0.902 -6.893 9.772 1.00 0.00 ATOM 136 CB THR 18 -2.408 -7.210 9.665 1.00 0.00 ATOM 137 CG2 THR 18 -2.901 -7.861 10.960 1.00 0.00 ATOM 138 OG1 THR 18 -3.137 -5.993 9.450 1.00 0.00 ATOM 139 O THR 18 -0.287 -7.642 7.566 1.00 0.00 ATOM 140 C THR 18 -0.280 -6.716 8.378 1.00 0.00 ATOM 141 N SER 19 0.269 -5.529 8.117 1.00 0.00 ATOM 142 CA SER 19 0.916 -5.230 6.843 1.00 0.00 ATOM 143 CB SER 19 0.865 -3.726 6.557 1.00 0.00 ATOM 144 OG SER 19 1.456 -3.434 5.301 1.00 0.00 ATOM 145 O SER 19 3.074 -5.553 7.832 1.00 0.00 ATOM 146 C SER 19 2.368 -5.693 6.836 1.00 0.00 ATOM 147 N ASN 20 2.806 -6.237 5.703 1.00 0.00 ATOM 148 CA ASN 20 4.222 -6.516 5.467 1.00 0.00 ATOM 149 CB ASN 20 4.414 -7.443 4.261 1.00 0.00 ATOM 150 CG ASN 20 3.830 -8.829 4.482 1.00 0.00 ATOM 151 ND2 ASN 20 3.503 -9.504 3.383 1.00 0.00 ATOM 152 OD1 ASN 20 3.683 -9.294 5.621 1.00 0.00 ATOM 153 O ASN 20 6.252 -5.273 5.189 1.00 0.00 ATOM 154 C ASN 20 5.019 -5.236 5.236 1.00 0.00 ATOM 155 N ASP 21 4.319 -4.112 5.077 1.00 0.00 ATOM 156 CA ASP 21 4.979 -2.834 4.813 1.00 0.00 ATOM 157 CB ASP 21 4.324 -2.100 3.638 1.00 0.00 ATOM 158 CG ASP 21 4.504 -2.827 2.314 1.00 0.00 ATOM 159 OD1 ASP 21 5.546 -3.503 2.111 1.00 0.00 ATOM 160 OD2 ASP 21 3.595 -2.709 1.469 1.00 0.00 ATOM 161 O ASP 21 5.415 -0.729 5.853 1.00 0.00 ATOM 162 C ASP 21 5.081 -1.901 6.024 1.00 0.00 ATOM 163 N ASN 22 4.828 -2.420 7.225 1.00 0.00 ATOM 164 CA ASN 22 4.954 -1.630 8.473 1.00 0.00 ATOM 165 CB ASN 22 3.979 -2.134 9.567 1.00 0.00 ATOM 166 CG ASN 22 4.474 -3.412 10.296 1.00 0.00 ATOM 167 ND2 ASN 22 5.355 -4.161 9.657 1.00 0.00 ATOM 168 OD1 ASN 22 4.047 -3.708 11.413 1.00 0.00 ATOM 169 O ASN 22 6.643 -0.862 10.045 1.00 0.00 ATOM 170 C ASN 22 6.389 -1.525 9.020 1.00 0.00 ATOM 171 N PHE 23 7.310 -2.184 8.322 1.00 0.00 ATOM 172 CA PHE 23 8.690 -2.333 8.763 1.00 0.00 ATOM 173 CB PHE 23 8.788 -3.340 9.929 1.00 0.00 ATOM 174 CG PHE 23 10.208 -3.760 10.216 1.00 0.00 ATOM 175 CD1 PHE 23 10.732 -4.911 9.649 1.00 0.00 ATOM 176 CD2 PHE 23 11.039 -2.950 10.995 1.00 0.00 ATOM 177 CE1 PHE 23 12.061 -5.281 9.870 1.00 0.00 ATOM 178 CE2 PHE 23 12.377 -3.308 11.232 1.00 0.00 ATOM 179 CZ PHE 23 12.891 -4.471 10.661 1.00 0.00 ATOM 180 O PHE 23 9.175 -3.646 6.807 1.00 0.00 ATOM 181 C PHE 23 9.587 -2.799 7.591 1.00 0.00 ATOM 182 N PRO 24 10.791 -2.204 7.430 1.00 0.00 ATOM 183 CA PRO 24 11.283 -1.102 8.259 1.00 0.00 ATOM 184 CB PRO 24 12.777 -1.021 7.915 1.00 0.00 ATOM 185 CG PRO 24 12.894 -1.653 6.563 1.00 0.00 ATOM 186 CD PRO 24 11.726 -2.551 6.342 1.00 0.00 ATOM 187 O PRO 24 9.904 0.197 6.803 1.00 0.00 ATOM 188 C PRO 24 10.606 0.181 7.815 1.00 0.00 ATOM 189 N LEU 25 10.814 1.251 8.565 1.00 0.00 ATOM 190 CA LEU 25 10.274 2.542 8.162 1.00 0.00 ATOM 191 CB LEU 25 10.283 3.505 9.350 1.00 0.00 ATOM 192 CG LEU 25 9.406 3.157 10.551 1.00 0.00 ATOM 193 CD1 LEU 25 9.670 4.131 11.708 1.00 0.00 ATOM 194 CD2 LEU 25 7.981 3.214 10.160 1.00 0.00 ATOM 195 O LEU 25 12.281 2.559 6.844 1.00 0.00 ATOM 196 C LEU 25 11.160 3.054 7.034 1.00 0.00 ATOM 197 N GLN 26 10.653 4.016 6.265 1.00 0.00 ATOM 198 CA GLN 26 11.428 4.574 5.169 1.00 0.00 ATOM 199 CB GLN 26 10.563 4.804 3.938 1.00 0.00 ATOM 200 CG GLN 26 11.321 5.495 2.823 1.00 0.00 ATOM 201 CD GLN 26 10.549 5.547 1.542 1.00 0.00 ATOM 202 OE1 GLN 26 9.751 4.657 1.239 1.00 0.00 ATOM 203 NE2 GLN 26 10.777 6.602 0.769 1.00 0.00 ATOM 204 O GLN 26 11.407 6.890 5.822 1.00 0.00 ATOM 205 C GLN 26 12.077 5.870 5.624 1.00 0.00 ATOM 206 N TYR 27 13.387 5.803 5.813 1.00 0.00 ATOM 207 CA TYR 27 14.143 6.927 6.365 1.00 0.00 ATOM 208 CB TYR 27 15.406 6.416 7.085 1.00 0.00 ATOM 209 CG TYR 27 15.014 5.670 8.326 1.00 0.00 ATOM 210 CD1 TYR 27 15.044 6.299 9.578 1.00 0.00 ATOM 211 CD2 TYR 27 14.540 4.341 8.252 1.00 0.00 ATOM 212 CE1 TYR 27 14.641 5.631 10.737 1.00 0.00 ATOM 213 CE2 TYR 27 14.123 3.656 9.394 1.00 0.00 ATOM 214 CZ TYR 27 14.173 4.311 10.637 1.00 0.00 ATOM 215 OH TYR 27 13.752 3.651 11.757 1.00 0.00 ATOM 216 O TYR 27 14.874 7.499 4.163 1.00 0.00 ATOM 217 C TYR 27 14.456 7.910 5.241 1.00 0.00 ATOM 218 N ASP 28 14.190 9.196 5.490 1.00 0.00 ATOM 219 CA ASP 28 14.487 10.236 4.500 1.00 0.00 ATOM 220 CB ASP 28 13.521 11.406 4.617 1.00 0.00 ATOM 221 CG ASP 28 13.767 12.473 3.550 1.00 0.00 ATOM 222 OD1 ASP 28 14.864 12.488 2.924 1.00 0.00 ATOM 223 OD2 ASP 28 12.864 13.321 3.363 1.00 0.00 ATOM 224 O ASP 28 16.236 11.534 5.530 1.00 0.00 ATOM 225 C ASP 28 15.929 10.695 4.675 1.00 0.00 ATOM 226 N GLY 29 16.817 10.108 3.878 1.00 0.00 ATOM 227 CA GLY 29 18.241 10.350 3.993 1.00 0.00 ATOM 228 O GLY 29 19.711 12.217 4.154 1.00 0.00 ATOM 229 C GLY 29 18.668 11.775 3.685 1.00 0.00 ATOM 230 N SER 30 17.856 12.496 2.912 1.00 0.00 ATOM 231 CA SER 30 18.132 13.916 2.651 1.00 0.00 ATOM 232 CB SER 30 17.249 14.481 1.522 1.00 0.00 ATOM 233 OG SER 30 15.898 14.743 1.899 1.00 0.00 ATOM 234 O SER 30 18.608 15.781 4.101 1.00 0.00 ATOM 235 C SER 30 17.987 14.728 3.941 1.00 0.00 ATOM 236 N LYS 31 17.162 14.228 4.854 1.00 0.00 ATOM 237 CA LYS 31 16.909 14.910 6.117 1.00 0.00 ATOM 238 CB LYS 31 15.406 14.981 6.370 1.00 0.00 ATOM 239 CG LYS 31 14.673 15.867 5.385 1.00 0.00 ATOM 240 CD LYS 31 13.180 15.708 5.562 1.00 0.00 ATOM 241 CE LYS 31 12.415 16.402 4.439 1.00 0.00 ATOM 242 NZ LYS 31 12.792 17.838 4.374 1.00 0.00 ATOM 243 O LYS 31 17.766 15.067 8.346 1.00 0.00 ATOM 244 C LYS 31 17.644 14.366 7.345 1.00 0.00 ATOM 245 N CYS 32 18.138 13.130 7.288 1.00 0.00 ATOM 246 CA CYS 32 18.733 12.520 8.492 1.00 0.00 ATOM 247 CB CYS 32 18.628 10.986 8.462 1.00 0.00 ATOM 248 SG CYS 32 16.940 10.358 8.441 1.00 0.00 ATOM 249 O CYS 32 21.023 12.679 7.844 1.00 0.00 ATOM 250 C CYS 32 20.181 12.944 8.689 1.00 0.00 ATOM 251 N GLN 33 20.466 13.602 9.806 1.00 0.00 ATOM 252 CA GLN 33 21.817 14.016 10.106 1.00 0.00 ATOM 253 CB GLN 33 21.828 15.397 10.748 1.00 0.00 ATOM 254 CG GLN 33 21.119 16.437 9.869 1.00 0.00 ATOM 255 CD GLN 33 21.185 17.845 10.421 1.00 0.00 ATOM 256 OE1 GLN 33 22.241 18.489 10.387 1.00 0.00 ATOM 257 NE2 GLN 33 20.049 18.347 10.911 1.00 0.00 ATOM 258 O GLN 33 21.939 12.625 12.058 1.00 0.00 ATOM 259 C GLN 33 22.466 12.971 10.994 1.00 0.00 ATOM 260 N LEU 34 23.588 12.449 10.516 1.00 0.00 ATOM 261 CA LEU 34 24.255 11.330 11.170 1.00 0.00 ATOM 262 CB LEU 34 24.731 10.290 10.139 1.00 0.00 ATOM 263 CG LEU 34 23.746 9.750 9.093 1.00 0.00 ATOM 264 CD1 LEU 34 24.355 8.586 8.307 1.00 0.00 ATOM 265 CD2 LEU 34 22.417 9.344 9.731 1.00 0.00 ATOM 266 O LEU 34 26.105 12.798 11.566 1.00 0.00 ATOM 267 C LEU 34 25.431 11.837 11.967 1.00 0.00 ATOM 268 N VAL 35 25.681 11.180 13.095 1.00 0.00 ATOM 269 CA VAL 35 26.811 11.491 13.957 1.00 0.00 ATOM 270 CB VAL 35 26.404 12.329 15.209 1.00 0.00 ATOM 271 CG1 VAL 35 25.714 13.637 14.793 1.00 0.00 ATOM 272 CG2 VAL 35 25.510 11.555 16.147 1.00 0.00 ATOM 273 O VAL 35 26.821 9.158 14.528 1.00 0.00 ATOM 274 C VAL 35 27.487 10.191 14.386 1.00 0.00 ATOM 275 N GLN 36 28.801 10.244 14.573 1.00 0.00 ATOM 276 CA GLN 36 29.560 9.092 15.071 1.00 0.00 ATOM 277 CB GLN 36 30.841 8.870 14.251 1.00 0.00 ATOM 278 CG GLN 36 30.634 8.838 12.740 1.00 0.00 ATOM 279 CD GLN 36 29.874 7.602 12.268 1.00 0.00 ATOM 280 OE1 GLN 36 30.114 6.490 12.745 1.00 0.00 ATOM 281 NE2 GLN 36 28.954 7.795 11.321 1.00 0.00 ATOM 282 O GLN 36 30.410 10.259 17.005 1.00 0.00 ATOM 283 C GLN 36 29.883 9.232 16.567 1.00 0.00 ATOM 284 N ASP 37 29.537 8.208 17.346 1.00 0.00 ATOM 285 CA ASP 37 29.911 8.133 18.756 1.00 0.00 ATOM 286 CB ASP 37 28.693 7.773 19.625 1.00 0.00 ATOM 287 CG ASP 37 28.984 7.826 21.133 1.00 0.00 ATOM 288 OD1 ASP 37 30.147 8.060 21.545 1.00 0.00 ATOM 289 OD2 ASP 37 28.023 7.633 21.910 1.00 0.00 ATOM 290 O ASP 37 30.700 5.874 18.904 1.00 0.00 ATOM 291 C ASP 37 30.997 7.067 18.858 1.00 0.00 ATOM 292 N GLU 38 32.252 7.508 18.871 1.00 0.00 ATOM 293 CA GLU 38 33.399 6.599 18.861 1.00 0.00 ATOM 294 CB GLU 38 34.583 7.246 18.127 1.00 0.00 ATOM 295 CG GLU 38 34.253 7.689 16.685 1.00 0.00 ATOM 296 CD GLU 38 35.278 8.653 16.070 1.00 0.00 ATOM 297 OE1 GLU 38 36.293 8.990 16.726 1.00 0.00 ATOM 298 OE2 GLU 38 35.058 9.084 14.911 1.00 0.00 ATOM 299 O GLU 38 34.712 5.316 20.439 1.00 0.00 ATOM 300 C GLU 38 33.785 6.118 20.275 1.00 0.00 ATOM 301 N SER 39 33.045 6.583 21.281 1.00 0.00 ATOM 302 CA SER 39 33.276 6.202 22.675 1.00 0.00 ATOM 303 CB SER 39 32.716 7.273 23.624 1.00 0.00 ATOM 304 OG SER 39 31.307 7.158 23.777 1.00 0.00 ATOM 305 O SER 39 32.989 4.275 24.106 1.00 0.00 ATOM 306 C SER 39 32.704 4.821 23.029 1.00 0.00 ATOM 307 N ILE 40 31.891 4.271 22.128 1.00 0.00 ATOM 308 CA ILE 40 31.318 2.931 22.290 1.00 0.00 ATOM 309 CB ILE 40 30.085 2.733 21.376 1.00 0.00 ATOM 310 CG1 ILE 40 28.960 3.679 21.808 1.00 0.00 ATOM 311 CG2 ILE 40 29.598 1.276 21.406 1.00 0.00 ATOM 312 CD1 ILE 40 28.048 4.076 20.692 1.00 0.00 ATOM 313 O ILE 40 32.956 1.844 20.911 1.00 0.00 ATOM 314 C ILE 40 32.396 1.888 22.007 1.00 0.00 ATOM 315 N GLU 41 32.683 1.069 23.018 1.00 0.00 ATOM 316 CA GLU 41 33.775 0.097 22.979 1.00 0.00 ATOM 317 CB GLU 41 34.147 -0.323 24.406 1.00 0.00 ATOM 318 CG GLU 41 35.652 -0.354 24.669 1.00 0.00 ATOM 319 CD GLU 41 36.022 0.322 25.987 1.00 0.00 ATOM 320 OE1 GLU 41 35.672 -0.223 27.063 1.00 0.00 ATOM 321 OE2 GLU 41 36.668 1.401 25.945 1.00 0.00 ATOM 322 O GLU 41 32.328 -1.690 22.285 1.00 0.00 ATOM 323 C GLU 41 33.420 -1.141 22.160 1.00 0.00 ATOM 324 N PHE 42 34.362 -1.576 21.332 1.00 0.00 ATOM 325 CA PHE 42 34.188 -2.757 20.499 1.00 0.00 ATOM 326 CB PHE 42 35.279 -2.786 19.429 1.00 0.00 ATOM 327 CG PHE 42 35.213 -3.970 18.504 1.00 0.00 ATOM 328 CD1 PHE 42 34.176 -4.115 17.589 1.00 0.00 ATOM 329 CD2 PHE 42 36.223 -4.927 18.523 1.00 0.00 ATOM 330 CE1 PHE 42 34.133 -5.214 16.723 1.00 0.00 ATOM 331 CE2 PHE 42 36.192 -6.018 17.664 1.00 0.00 ATOM 332 CZ PHE 42 35.147 -6.170 16.765 1.00 0.00 ATOM 333 O PHE 42 35.229 -4.246 22.065 1.00 0.00 ATOM 334 C PHE 42 34.246 -4.020 21.360 1.00 0.00 ATOM 335 N ASN 43 33.183 -4.819 21.302 1.00 0.00 ATOM 336 CA ASN 43 33.103 -6.105 22.002 1.00 0.00 ATOM 337 CB ASN 43 32.173 -6.007 23.226 1.00 0.00 ATOM 338 CG ASN 43 32.046 -7.341 24.002 1.00 0.00 ATOM 339 ND2 ASN 43 31.819 -7.242 25.305 1.00 0.00 ATOM 340 OD1 ASN 43 32.151 -8.435 23.432 1.00 0.00 ATOM 341 O ASN 43 31.418 -7.160 20.666 1.00 0.00 ATOM 342 C ASN 43 32.601 -7.155 21.007 1.00 0.00 ATOM 343 N PRO 44 33.508 -8.016 20.499 1.00 0.00 ATOM 344 CA PRO 44 33.128 -8.980 19.453 1.00 0.00 ATOM 345 CB PRO 44 34.436 -9.739 19.169 1.00 0.00 ATOM 346 CG PRO 44 35.285 -9.505 20.389 1.00 0.00 ATOM 347 CD PRO 44 34.948 -8.116 20.830 1.00 0.00 ATOM 348 O PRO 44 31.146 -10.262 19.053 1.00 0.00 ATOM 349 C PRO 44 32.014 -9.938 19.872 1.00 0.00 ATOM 350 N GLU 45 32.030 -10.370 21.131 1.00 0.00 ATOM 351 CA GLU 45 30.997 -11.287 21.642 1.00 0.00 ATOM 352 CB GLU 45 31.345 -11.766 23.069 1.00 0.00 ATOM 353 CG GLU 45 32.507 -12.775 23.072 1.00 0.00 ATOM 354 CD GLU 45 32.756 -13.442 24.432 1.00 0.00 ATOM 355 OE1 GLU 45 31.849 -14.106 24.980 1.00 0.00 ATOM 356 OE2 GLU 45 33.900 -13.326 24.933 1.00 0.00 ATOM 357 O GLU 45 28.660 -11.199 21.044 1.00 0.00 ATOM 358 C GLU 45 29.620 -10.616 21.569 1.00 0.00 ATOM 359 N PHE 46 29.554 -9.377 22.048 1.00 0.00 ATOM 360 CA PHE 46 28.310 -8.578 22.040 1.00 0.00 ATOM 361 CB PHE 46 28.568 -7.256 22.784 1.00 0.00 ATOM 362 CG PHE 46 27.359 -6.358 22.939 1.00 0.00 ATOM 363 CD1 PHE 46 26.211 -6.800 23.597 1.00 0.00 ATOM 364 CD2 PHE 46 27.385 -5.044 22.446 1.00 0.00 ATOM 365 CE1 PHE 46 25.099 -5.952 23.766 1.00 0.00 ATOM 366 CE2 PHE 46 26.274 -4.190 22.602 1.00 0.00 ATOM 367 CZ PHE 46 25.123 -4.660 23.267 1.00 0.00 ATOM 368 O PHE 46 26.734 -8.558 20.219 1.00 0.00 ATOM 369 C PHE 46 27.881 -8.337 20.591 1.00 0.00 ATOM 370 N LEU 47 28.832 -7.932 19.752 1.00 0.00 ATOM 371 CA LEU 47 28.531 -7.664 18.353 1.00 0.00 ATOM 372 CB LEU 47 29.769 -7.073 17.681 1.00 0.00 ATOM 373 CG LEU 47 29.471 -6.456 16.323 1.00 0.00 ATOM 374 CD1 LEU 47 28.417 -5.363 16.458 1.00 0.00 ATOM 375 CD2 LEU 47 30.746 -5.915 15.740 1.00 0.00 ATOM 376 O LEU 47 27.137 -8.848 16.763 1.00 0.00 ATOM 377 C LEU 47 28.044 -8.917 17.606 1.00 0.00 ATOM 378 N LEU 48 28.627 -10.078 17.912 1.00 0.00 ATOM 379 CA LEU 48 28.177 -11.321 17.275 1.00 0.00 ATOM 380 CB LEU 48 29.093 -12.494 17.624 1.00 0.00 ATOM 381 CG LEU 48 30.442 -12.571 16.899 1.00 0.00 ATOM 382 CD1 LEU 48 31.419 -13.467 17.655 1.00 0.00 ATOM 383 CD2 LEU 48 30.249 -13.096 15.480 1.00 0.00 ATOM 384 O LEU 48 25.939 -12.071 16.794 1.00 0.00 ATOM 385 C LEU 48 26.727 -11.631 17.644 1.00 0.00 ATOM 386 N ASN 49 26.377 -11.399 18.905 1.00 0.00 ATOM 387 CA ASN 49 24.996 -11.584 19.360 1.00 0.00 ATOM 388 CB ASN 49 24.885 -11.291 20.840 1.00 0.00 ATOM 389 CG ASN 49 25.504 -12.393 21.696 1.00 0.00 ATOM 390 ND2 ASN 49 25.740 -12.086 22.961 1.00 0.00 ATOM 391 OD1 ASN 49 25.765 -13.500 21.212 1.00 0.00 ATOM 392 O ASN 49 22.969 -11.120 18.137 1.00 0.00 ATOM 393 C ASN 49 24.037 -10.678 18.586 1.00 0.00 ATOM 394 N ILE 50 24.454 -9.431 18.424 1.00 0.00 ATOM 395 CA ILE 50 23.666 -8.405 17.707 1.00 0.00 ATOM 396 CB ILE 50 24.352 -7.001 17.810 1.00 0.00 ATOM 397 CG1 ILE 50 24.296 -6.474 19.250 1.00 0.00 ATOM 398 CG2 ILE 50 23.733 -6.015 16.797 1.00 0.00 ATOM 399 CD1 ILE 50 25.186 -5.263 19.529 1.00 0.00 ATOM 400 O ILE 50 22.337 -8.788 15.732 1.00 0.00 ATOM 401 C ILE 50 23.463 -8.789 16.247 1.00 0.00 ATOM 402 N VAL 51 24.551 -9.134 15.567 1.00 0.00 ATOM 403 CA VAL 51 24.466 -9.504 14.159 1.00 0.00 ATOM 404 CB VAL 51 25.864 -9.722 13.539 1.00 0.00 ATOM 405 CG1 VAL 51 25.742 -10.100 12.077 1.00 0.00 ATOM 406 CG2 VAL 51 26.662 -8.449 13.653 1.00 0.00 ATOM 407 O VAL 51 22.786 -10.761 12.984 1.00 0.00 ATOM 408 C VAL 51 23.539 -10.704 13.959 1.00 0.00 ATOM 409 N ASP 52 23.560 -11.653 14.891 1.00 0.00 ATOM 410 CA ASP 52 22.678 -12.795 14.770 1.00 0.00 ATOM 411 CB ASP 52 22.949 -13.845 15.839 1.00 0.00 ATOM 412 CG ASP 52 22.367 -15.194 15.460 1.00 0.00 ATOM 413 OD1 ASP 52 22.636 -15.652 14.322 1.00 0.00 ATOM 414 OD2 ASP 52 21.638 -15.774 16.285 1.00 0.00 ATOM 415 O ASP 52 20.385 -13.063 14.192 1.00 0.00 ATOM 416 C ASP 52 21.213 -12.402 14.815 1.00 0.00 ATOM 417 N ARG 53 20.913 -11.319 15.520 1.00 0.00 ATOM 418 CA ARG 53 19.534 -10.915 15.779 1.00 0.00 ATOM 419 CB ARG 53 19.483 -10.137 17.093 1.00 0.00 ATOM 420 CG ARG 53 18.113 -10.026 17.691 1.00 0.00 ATOM 421 CD ARG 53 18.229 -9.794 19.178 1.00 0.00 ATOM 422 NE ARG 53 19.214 -10.689 19.771 1.00 0.00 ATOM 423 CZ ARG 53 19.227 -11.047 21.048 1.00 0.00 ATOM 424 NH1 ARG 53 20.183 -11.861 21.484 1.00 0.00 ATOM 425 NH2 ARG 53 18.295 -10.599 21.885 1.00 0.00 ATOM 426 O ARG 53 17.648 -10.036 14.574 1.00 0.00 ATOM 427 C ARG 53 18.883 -10.059 14.688 1.00 0.00 ATOM 428 N VAL 54 19.702 -9.337 13.924 1.00 0.00 ATOM 429 CA VAL 54 19.181 -8.355 12.962 1.00 0.00 ATOM 430 CB VAL 54 20.245 -7.306 12.507 1.00 0.00 ATOM 431 CG1 VAL 54 20.713 -6.460 13.685 1.00 0.00 ATOM 432 CG2 VAL 54 21.430 -7.964 11.789 1.00 0.00 ATOM 433 O VAL 54 18.844 -10.108 11.332 1.00 0.00 ATOM 434 C VAL 54 18.501 -9.002 11.743 1.00 0.00 ATOM 435 N ASP 55 17.498 -8.308 11.222 1.00 0.00 ATOM 436 CA ASP 55 16.908 -8.653 9.933 1.00 0.00 ATOM 437 CB ASP 55 15.479 -8.102 9.835 1.00 0.00 ATOM 438 CG ASP 55 14.837 -8.421 8.501 1.00 0.00 ATOM 439 OD1 ASP 55 14.243 -9.505 8.383 1.00 0.00 ATOM 440 OD2 ASP 55 14.965 -7.623 7.557 1.00 0.00 ATOM 441 O ASP 55 17.818 -6.777 8.730 1.00 0.00 ATOM 442 C ASP 55 17.791 -8.012 8.874 1.00 0.00 ATOM 443 N TRP 56 18.539 -8.858 8.147 1.00 0.00 ATOM 444 CA TRP 56 19.500 -8.374 7.162 1.00 0.00 ATOM 445 CB TRP 56 20.387 -9.509 6.635 1.00 0.00 ATOM 446 CG TRP 56 21.620 -8.977 5.992 1.00 0.00 ATOM 447 CD1 TRP 56 21.917 -8.988 4.665 1.00 0.00 ATOM 448 CD2 TRP 56 22.690 -8.271 6.641 1.00 0.00 ATOM 449 CE2 TRP 56 23.620 -7.918 5.638 1.00 0.00 ATOM 450 CE3 TRP 56 22.953 -7.907 7.974 1.00 0.00 ATOM 451 NE1 TRP 56 23.129 -8.378 4.445 1.00 0.00 ATOM 452 CZ2 TRP 56 24.803 -7.225 5.920 1.00 0.00 ATOM 453 CZ3 TRP 56 24.134 -7.233 8.258 1.00 0.00 ATOM 454 CH2 TRP 56 25.044 -6.888 7.230 1.00 0.00 ATOM 455 O TRP 56 19.384 -6.450 5.744 1.00 0.00 ATOM 456 C TRP 56 18.879 -7.530 6.025 1.00 0.00 ATOM 457 N PRO 57 17.782 -8.001 5.391 1.00 0.00 ATOM 458 CA PRO 57 17.151 -7.154 4.357 1.00 0.00 ATOM 459 CB PRO 57 15.889 -7.936 3.992 1.00 0.00 ATOM 460 CG PRO 57 16.341 -9.396 4.194 1.00 0.00 ATOM 461 CD PRO 57 17.098 -9.312 5.501 1.00 0.00 ATOM 462 O PRO 57 17.072 -4.746 4.119 1.00 0.00 ATOM 463 C PRO 57 16.838 -5.731 4.856 1.00 0.00 ATOM 464 N ALA 58 16.382 -5.604 6.107 1.00 0.00 ATOM 465 CA ALA 58 16.105 -4.263 6.668 1.00 0.00 ATOM 466 CB ALA 58 15.200 -4.350 7.893 1.00 0.00 ATOM 467 O ALA 58 17.358 -2.208 6.841 1.00 0.00 ATOM 468 C ALA 58 17.375 -3.439 6.959 1.00 0.00 ATOM 469 N VAL 59 18.461 -4.102 7.376 1.00 0.00 ATOM 470 CA VAL 59 19.751 -3.411 7.460 1.00 0.00 ATOM 471 CB VAL 59 20.880 -4.325 7.962 1.00 0.00 ATOM 472 CG1 VAL 59 22.252 -3.657 7.815 1.00 0.00 ATOM 473 CG2 VAL 59 20.653 -4.629 9.448 1.00 0.00 ATOM 474 O VAL 59 20.503 -1.689 5.985 1.00 0.00 ATOM 475 C VAL 59 20.097 -2.833 6.091 1.00 0.00 ATOM 476 N LEU 60 19.968 -3.648 5.048 1.00 0.00 ATOM 477 CA LEU 60 20.404 -3.230 3.721 1.00 0.00 ATOM 478 CB LEU 60 20.329 -4.402 2.745 1.00 0.00 ATOM 479 CG LEU 60 21.331 -5.534 2.961 1.00 0.00 ATOM 480 CD1 LEU 60 20.980 -6.611 1.953 1.00 0.00 ATOM 481 CD2 LEU 60 22.779 -5.042 2.768 1.00 0.00 ATOM 482 O LEU 60 20.141 -1.111 2.667 1.00 0.00 ATOM 483 C LEU 60 19.584 -2.053 3.213 1.00 0.00 ATOM 484 N THR 61 18.279 -2.111 3.447 1.00 0.00 ATOM 485 CA THR 61 17.331 -1.073 2.983 1.00 0.00 ATOM 486 CB THR 61 15.865 -1.521 3.225 1.00 0.00 ATOM 487 CG2 THR 61 14.835 -0.379 2.862 1.00 0.00 ATOM 488 OG1 THR 61 15.579 -2.686 2.419 1.00 0.00 ATOM 489 O THR 61 17.758 1.322 3.022 1.00 0.00 ATOM 490 C THR 61 17.632 0.260 3.677 1.00 0.00 ATOM 491 N VAL 62 17.761 0.218 5.003 1.00 0.00 ATOM 492 CA VAL 62 17.971 1.466 5.755 1.00 0.00 ATOM 493 CB VAL 62 17.695 1.242 7.236 1.00 0.00 ATOM 494 CG1 VAL 62 17.978 2.537 8.054 1.00 0.00 ATOM 495 CG2 VAL 62 16.237 0.757 7.388 1.00 0.00 ATOM 496 O VAL 62 19.533 3.254 5.283 1.00 0.00 ATOM 497 C VAL 62 19.369 2.047 5.476 1.00 0.00 ATOM 498 N ALA 63 20.375 1.175 5.424 1.00 0.00 ATOM 499 CA ALA 63 21.730 1.607 5.110 1.00 0.00 ATOM 500 CB ALA 63 22.673 0.432 5.079 1.00 0.00 ATOM 501 O ALA 63 22.401 3.420 3.718 1.00 0.00 ATOM 502 C ALA 63 21.789 2.362 3.784 1.00 0.00 ATOM 503 N ALA 64 21.144 1.819 2.744 1.00 0.00 ATOM 504 CA ALA 64 21.101 2.485 1.420 1.00 0.00 ATOM 505 CB ALA 64 20.424 1.605 0.363 1.00 0.00 ATOM 506 O ALA 64 20.906 4.835 0.966 1.00 0.00 ATOM 507 C ALA 64 20.418 3.843 1.515 1.00 0.00 ATOM 508 N GLU 65 19.296 3.896 2.222 1.00 0.00 ATOM 509 CA GLU 65 18.608 5.178 2.469 1.00 0.00 ATOM 510 CB GLU 65 17.364 4.983 3.353 1.00 0.00 ATOM 511 CG GLU 65 16.216 4.311 2.604 1.00 0.00 ATOM 512 CD GLU 65 15.107 3.780 3.507 1.00 0.00 ATOM 513 OE1 GLU 65 15.135 4.006 4.739 1.00 0.00 ATOM 514 OE2 GLU 65 14.198 3.120 2.957 1.00 0.00 ATOM 515 O GLU 65 19.508 7.404 2.705 1.00 0.00 ATOM 516 C GLU 65 19.551 6.227 3.078 1.00 0.00 ATOM 517 N LEU 66 20.419 5.780 3.978 1.00 0.00 ATOM 518 CA LEU 66 21.340 6.673 4.681 1.00 0.00 ATOM 519 CB LEU 66 21.486 6.200 6.135 1.00 0.00 ATOM 520 CG LEU 66 20.151 6.176 6.900 1.00 0.00 ATOM 521 CD1 LEU 66 20.394 5.759 8.341 1.00 0.00 ATOM 522 CD2 LEU 66 19.379 7.525 6.856 1.00 0.00 ATOM 523 O LEU 66 23.645 7.372 4.587 1.00 0.00 ATOM 524 C LEU 66 22.701 6.806 4.004 1.00 0.00 ATOM 525 N GLY 67 22.809 6.286 2.784 1.00 0.00 ATOM 526 CA GLY 67 24.000 6.487 1.956 1.00 0.00 ATOM 527 O GLY 67 26.257 5.762 1.581 1.00 0.00 ATOM 528 C GLY 67 25.139 5.486 2.062 1.00 0.00 ATOM 529 N ASN 68 24.874 4.329 2.667 1.00 0.00 ATOM 530 CA ASN 68 25.849 3.250 2.719 1.00 0.00 ATOM 531 CB ASN 68 25.985 2.698 4.133 1.00 0.00 ATOM 532 CG ASN 68 27.127 1.709 4.265 1.00 0.00 ATOM 533 ND2 ASN 68 27.721 1.658 5.453 1.00 0.00 ATOM 534 OD1 ASN 68 27.463 0.980 3.313 1.00 0.00 ATOM 535 O ASN 68 24.470 1.417 1.978 1.00 0.00 ATOM 536 C ASN 68 25.458 2.138 1.756 1.00 0.00 ATOM 537 N ASN 69 26.252 1.996 0.703 1.00 0.00 ATOM 538 CA ASN 69 25.982 0.992 -0.312 1.00 0.00 ATOM 539 CB ASN 69 25.725 1.693 -1.647 1.00 0.00 ATOM 540 CG ASN 69 24.457 2.542 -1.614 1.00 0.00 ATOM 541 ND2 ASN 69 24.625 3.867 -1.580 1.00 0.00 ATOM 542 OD1 ASN 69 23.338 2.007 -1.577 1.00 0.00 ATOM 543 O ASN 69 27.198 -0.751 -1.427 1.00 0.00 ATOM 544 C ASN 69 27.082 -0.073 -0.408 1.00 0.00 ATOM 545 N ALA 70 27.851 -0.230 0.666 1.00 0.00 ATOM 546 CA ALA 70 29.015 -1.120 0.654 1.00 0.00 ATOM 547 CB ALA 70 30.273 -0.368 1.133 1.00 0.00 ATOM 548 O ALA 70 29.770 -3.181 1.629 1.00 0.00 ATOM 549 C ALA 70 28.823 -2.433 1.419 1.00 0.00 ATOM 550 N LEU 71 27.588 -2.749 1.787 1.00 0.00 ATOM 551 CA LEU 71 27.310 -3.956 2.578 1.00 0.00 ATOM 552 CB LEU 71 26.096 -3.716 3.470 1.00 0.00 ATOM 553 CG LEU 71 26.221 -2.574 4.495 1.00 0.00 ATOM 554 CD1 LEU 71 24.841 -2.330 5.098 1.00 0.00 ATOM 555 CD2 LEU 71 27.258 -2.851 5.589 1.00 0.00 ATOM 556 O LEU 71 26.493 -5.036 0.593 1.00 0.00 ATOM 557 C LEU 71 27.046 -5.177 1.685 1.00 0.00 ATOM 558 N PRO 72 27.427 -6.390 2.153 1.00 0.00 ATOM 559 CA PRO 72 27.163 -7.583 1.332 1.00 0.00 ATOM 560 CB PRO 72 27.941 -8.677 2.057 1.00 0.00 ATOM 561 CG PRO 72 27.924 -8.228 3.535 1.00 0.00 ATOM 562 CD PRO 72 28.085 -6.729 3.428 1.00 0.00 ATOM 563 O PRO 72 25.004 -7.715 2.337 1.00 0.00 ATOM 564 C PRO 72 25.669 -7.937 1.326 1.00 0.00 ATOM 565 N PRO 73 25.139 -8.479 0.196 1.00 0.00 ATOM 566 CA PRO 73 23.724 -8.847 0.144 1.00 0.00 ATOM 567 CB PRO 73 23.507 -9.269 -1.309 1.00 0.00 ATOM 568 CG PRO 73 24.842 -9.529 -1.844 1.00 0.00 ATOM 569 CD PRO 73 25.803 -8.685 -1.107 1.00 0.00 ATOM 570 O PRO 73 22.144 -10.131 1.399 1.00 0.00 ATOM 571 C PRO 73 23.320 -9.978 1.109 1.00 0.00 ATOM 572 N THR 74 24.288 -10.747 1.596 1.00 0.00 ATOM 573 CA THR 74 24.011 -11.823 2.543 1.00 0.00 ATOM 574 CB THR 74 24.558 -13.163 1.994 1.00 0.00 ATOM 575 CG2 THR 74 24.462 -14.279 3.061 1.00 0.00 ATOM 576 OG1 THR 74 23.792 -13.551 0.846 1.00 0.00 ATOM 577 O THR 74 25.786 -11.042 3.921 1.00 0.00 ATOM 578 C THR 74 24.658 -11.499 3.889 1.00 0.00 ATOM 579 N LYS 75 23.932 -11.705 4.992 1.00 0.00 ATOM 580 CA LYS 75 24.477 -11.431 6.333 1.00 0.00 ATOM 581 CB LYS 75 23.478 -11.858 7.410 1.00 0.00 ATOM 582 CG LYS 75 23.895 -11.452 8.836 1.00 0.00 ATOM 583 CD LYS 75 23.074 -12.159 9.933 1.00 0.00 ATOM 584 CE LYS 75 21.653 -11.604 10.008 1.00 0.00 ATOM 585 NZ LYS 75 20.942 -12.077 11.217 1.00 0.00 ATOM 586 O LYS 75 25.877 -13.388 6.311 1.00 0.00 ATOM 587 C LYS 75 25.818 -12.176 6.542 1.00 0.00 ATOM 588 N PRO 76 26.897 -11.460 6.952 1.00 0.00 ATOM 589 CA PRO 76 28.125 -12.213 7.238 1.00 0.00 ATOM 590 CB PRO 76 29.060 -11.153 7.841 1.00 0.00 ATOM 591 CG PRO 76 28.584 -9.844 7.192 1.00 0.00 ATOM 592 CD PRO 76 27.078 -10.004 7.152 1.00 0.00 ATOM 593 O PRO 76 27.204 -13.162 9.238 1.00 0.00 ATOM 594 C PRO 76 27.897 -13.347 8.233 1.00 0.00 ATOM 595 N SER 77 28.481 -14.506 7.942 1.00 0.00 ATOM 596 CA SER 77 28.443 -15.644 8.855 1.00 0.00 ATOM 597 CB SER 77 28.010 -16.926 8.133 1.00 0.00 ATOM 598 OG SER 77 28.926 -17.262 7.122 1.00 0.00 ATOM 599 O SER 77 30.855 -15.493 8.934 1.00 0.00 ATOM 600 C SER 77 29.807 -15.811 9.519 1.00 0.00 ATOM 601 N PHE 78 29.780 -16.278 10.761 1.00 0.00 ATOM 602 CA PHE 78 30.984 -16.340 11.581 1.00 0.00 ATOM 603 CB PHE 78 30.943 -15.257 12.650 1.00 0.00 ATOM 604 CG PHE 78 30.913 -13.863 12.109 1.00 0.00 ATOM 605 CD1 PHE 78 32.082 -13.246 11.695 1.00 0.00 ATOM 606 CD2 PHE 78 29.715 -13.168 12.019 1.00 0.00 ATOM 607 CE1 PHE 78 32.059 -11.953 11.195 1.00 0.00 ATOM 608 CE2 PHE 78 29.683 -11.875 11.541 1.00 0.00 ATOM 609 CZ PHE 78 30.862 -11.264 11.122 1.00 0.00 ATOM 610 O PHE 78 30.046 -18.353 12.471 1.00 0.00 ATOM 611 C PHE 78 31.071 -17.683 12.283 1.00 0.00 ATOM 612 N PRO 79 32.292 -18.076 12.685 1.00 0.00 ATOM 613 CA PRO 79 32.432 -19.336 13.422 1.00 0.00 ATOM 614 CB PRO 79 33.949 -19.566 13.441 1.00 0.00 ATOM 615 CG PRO 79 34.550 -18.205 13.297 1.00 0.00 ATOM 616 CD PRO 79 33.589 -17.398 12.469 1.00 0.00 ATOM 617 O PRO 79 31.442 -18.184 15.285 1.00 0.00 ATOM 618 C PRO 79 31.828 -19.261 14.836 1.00 0.00 ATOM 619 N SER 80 31.744 -20.406 15.516 1.00 0.00 ATOM 620 CA SER 80 31.043 -20.526 16.812 1.00 0.00 ATOM 621 CB SER 80 30.657 -21.988 17.081 1.00 0.00 ATOM 622 OG SER 80 29.715 -22.451 16.126 1.00 0.00 ATOM 623 O SER 80 31.162 -19.769 19.086 1.00 0.00 ATOM 624 C SER 80 31.777 -19.956 18.031 1.00 0.00 ATOM 625 N SER 81 33.076 -19.680 17.883 1.00 0.00 ATOM 626 CA SER 81 33.908 -19.143 18.965 1.00 0.00 ATOM 627 CB SER 81 34.757 -20.268 19.576 1.00 0.00 ATOM 628 OG SER 81 36.146 -19.977 19.530 1.00 0.00 ATOM 629 O SER 81 35.166 -17.906 17.338 1.00 0.00 ATOM 630 C SER 81 34.788 -17.979 18.507 1.00 0.00 ATOM 631 N ILE 82 35.122 -17.078 19.429 1.00 0.00 ATOM 632 CA ILE 82 35.997 -15.951 19.097 1.00 0.00 ATOM 633 CB ILE 82 36.149 -14.901 20.249 1.00 0.00 ATOM 634 CG1 ILE 82 37.207 -13.847 19.865 1.00 0.00 ATOM 635 CG2 ILE 82 36.474 -15.577 21.576 1.00 0.00 ATOM 636 CD1 ILE 82 37.425 -12.721 20.855 1.00 0.00 ATOM 637 O ILE 82 37.950 -15.842 17.717 1.00 0.00 ATOM 638 C ILE 82 37.370 -16.437 18.622 1.00 0.00 ATOM 639 N GLN 83 37.862 -17.524 19.222 1.00 0.00 ATOM 640 CA GLN 83 39.174 -18.098 18.879 1.00 0.00 ATOM 641 CB GLN 83 39.469 -19.342 19.728 1.00 0.00 ATOM 642 CG GLN 83 39.568 -19.092 21.226 1.00 0.00 ATOM 643 CD GLN 83 39.778 -20.384 22.030 1.00 0.00 ATOM 644 OE1 GLN 83 40.054 -21.460 21.465 1.00 0.00 ATOM 645 NE2 GLN 83 39.656 -20.279 23.356 1.00 0.00 ATOM 646 O GLN 83 40.415 -18.404 16.832 1.00 0.00 ATOM 647 C GLN 83 39.312 -18.456 17.394 1.00 0.00 ATOM 648 N GLU 84 38.199 -18.822 16.765 1.00 0.00 ATOM 649 CA GLU 84 38.213 -19.268 15.377 1.00 0.00 ATOM 650 CB GLU 84 37.086 -20.275 15.111 1.00 0.00 ATOM 651 CG GLU 84 36.937 -21.389 16.137 1.00 0.00 ATOM 652 CD GLU 84 35.582 -22.072 16.054 1.00 0.00 ATOM 653 OE1 GLU 84 34.736 -21.857 16.962 1.00 0.00 ATOM 654 OE2 GLU 84 35.356 -22.823 15.077 1.00 0.00 ATOM 655 O GLU 84 38.215 -18.352 13.164 1.00 0.00 ATOM 656 C GLU 84 38.105 -18.119 14.363 1.00 0.00 ATOM 657 N LEU 85 37.894 -16.895 14.845 1.00 0.00 ATOM 658 CA LEU 85 37.721 -15.736 13.959 1.00 0.00 ATOM 659 CB LEU 85 37.267 -14.505 14.765 1.00 0.00 ATOM 660 CG LEU 85 35.849 -14.442 15.358 1.00 0.00 ATOM 661 CD1 LEU 85 35.703 -13.233 16.257 1.00 0.00 ATOM 662 CD2 LEU 85 34.812 -14.391 14.267 1.00 0.00 ATOM 663 O LEU 85 40.081 -15.360 13.826 1.00 0.00 ATOM 664 C LEU 85 39.014 -15.399 13.218 1.00 0.00 ATOM 665 N THR 86 38.903 -15.136 11.915 1.00 0.00 ATOM 666 CA THR 86 40.048 -14.670 11.108 1.00 0.00 ATOM 667 CB THR 86 39.871 -15.006 9.612 1.00 0.00 ATOM 668 CG2 THR 86 39.680 -16.500 9.382 1.00 0.00 ATOM 669 OG1 THR 86 38.750 -14.269 9.084 1.00 0.00 ATOM 670 O THR 86 39.389 -12.442 11.778 1.00 0.00 ATOM 671 C THR 86 40.247 -13.148 11.238 1.00 0.00 ATOM 672 N ASP 87 41.373 -12.639 10.736 1.00 0.00 ATOM 673 CA ASP 87 41.563 -11.191 10.637 1.00 0.00 ATOM 674 CB ASP 87 42.960 -10.832 10.093 1.00 0.00 ATOM 675 CG ASP 87 44.110 -11.231 11.055 1.00 0.00 ATOM 676 OD1 ASP 87 44.051 -10.915 12.264 1.00 0.00 ATOM 677 OD2 ASP 87 45.097 -11.860 10.588 1.00 0.00 ATOM 678 O ASP 87 39.957 -9.485 10.039 1.00 0.00 ATOM 679 C ASP 87 40.464 -10.582 9.756 1.00 0.00 ATOM 680 N ASP 88 40.088 -11.299 8.699 1.00 0.00 ATOM 681 CA ASP 88 39.062 -10.789 7.791 1.00 0.00 ATOM 682 CB ASP 88 38.984 -11.615 6.506 1.00 0.00 ATOM 683 CG ASP 88 40.148 -11.328 5.542 1.00 0.00 ATOM 684 OD1 ASP 88 40.879 -10.314 5.728 1.00 0.00 ATOM 685 OD2 ASP 88 40.329 -12.129 4.591 1.00 0.00 ATOM 686 O ASP 88 36.987 -9.752 8.351 1.00 0.00 ATOM 687 C ASP 88 37.716 -10.731 8.506 1.00 0.00 ATOM 688 N ASP 89 37.402 -11.763 9.298 1.00 0.00 ATOM 689 CA ASP 89 36.194 -11.766 10.147 1.00 0.00 ATOM 690 CB ASP 89 36.114 -13.046 11.011 1.00 0.00 ATOM 691 CG ASP 89 35.754 -14.290 10.220 1.00 0.00 ATOM 692 OD1 ASP 89 35.085 -14.182 9.163 1.00 0.00 ATOM 693 OD2 ASP 89 36.156 -15.394 10.675 1.00 0.00 ATOM 694 O ASP 89 35.168 -9.852 11.243 1.00 0.00 ATOM 695 C ASP 89 36.189 -10.549 11.085 1.00 0.00 ATOM 696 N MET 90 37.329 -10.295 11.722 1.00 0.00 ATOM 697 CA MET 90 37.443 -9.177 12.661 1.00 0.00 ATOM 698 CB MET 90 38.784 -9.233 13.392 1.00 0.00 ATOM 699 CG MET 90 38.765 -10.126 14.631 1.00 0.00 ATOM 700 SD MET 90 37.682 -9.469 15.943 1.00 0.00 ATOM 701 CE MET 90 38.623 -8.046 16.479 1.00 0.00 ATOM 702 O MET 90 36.649 -6.905 12.571 1.00 0.00 ATOM 703 C MET 90 37.253 -7.821 11.988 1.00 0.00 ATOM 704 N ALA 91 37.754 -7.701 10.762 1.00 0.00 ATOM 705 CA ALA 91 37.610 -6.463 9.997 1.00 0.00 ATOM 706 CB ALA 91 38.439 -6.515 8.737 1.00 0.00 ATOM 707 O ALA 91 35.654 -5.082 9.784 1.00 0.00 ATOM 708 C ALA 91 36.141 -6.213 9.668 1.00 0.00 ATOM 709 N ILE 92 35.438 -7.279 9.283 1.00 0.00 ATOM 710 CA ILE 92 33.982 -7.219 9.074 1.00 0.00 ATOM 711 CB ILE 92 33.412 -8.549 8.507 1.00 0.00 ATOM 712 CG1 ILE 92 34.020 -8.837 7.121 1.00 0.00 ATOM 713 CG2 ILE 92 31.880 -8.500 8.471 1.00 0.00 ATOM 714 CD1 ILE 92 33.795 -10.239 6.594 1.00 0.00 ATOM 715 O ILE 92 32.449 -5.923 10.385 1.00 0.00 ATOM 716 C ILE 92 33.284 -6.826 10.382 1.00 0.00 ATOM 717 N LEU 93 33.626 -7.481 11.489 1.00 0.00 ATOM 718 CA LEU 93 33.047 -7.113 12.788 1.00 0.00 ATOM 719 CB LEU 93 33.542 -8.038 13.910 1.00 0.00 ATOM 720 CG LEU 93 32.867 -9.419 13.928 1.00 0.00 ATOM 721 CD1 LEU 93 33.600 -10.393 14.827 1.00 0.00 ATOM 722 CD2 LEU 93 31.354 -9.357 14.303 1.00 0.00 ATOM 723 O LEU 93 32.313 -4.944 13.560 1.00 0.00 ATOM 724 C LEU 93 33.255 -5.635 13.126 1.00 0.00 ATOM 725 N ASN 94 34.467 -5.140 12.891 1.00 0.00 ATOM 726 CA ASN 94 34.766 -3.737 13.126 1.00 0.00 ATOM 727 CB ASN 94 36.247 -3.448 12.915 1.00 0.00 ATOM 728 CG ASN 94 37.030 -3.555 14.200 1.00 0.00 ATOM 729 ND2 ASN 94 37.794 -4.638 14.349 1.00 0.00 ATOM 730 OD1 ASN 94 36.931 -2.671 15.075 1.00 0.00 ATOM 731 O ASN 94 33.397 -1.818 12.811 1.00 0.00 ATOM 732 C ASN 94 33.897 -2.809 12.292 1.00 0.00 ATOM 733 N ASP 95 33.715 -3.148 11.016 1.00 0.00 ATOM 734 CA ASP 95 32.845 -2.371 10.138 1.00 0.00 ATOM 735 CB ASP 95 32.933 -2.863 8.692 1.00 0.00 ATOM 736 CG ASP 95 34.218 -2.422 7.985 1.00 0.00 ATOM 737 OD1 ASP 95 34.878 -1.458 8.437 1.00 0.00 ATOM 738 OD2 ASP 95 34.546 -3.047 6.952 1.00 0.00 ATOM 739 O ASP 95 30.704 -1.374 10.602 1.00 0.00 ATOM 740 C ASP 95 31.388 -2.399 10.630 1.00 0.00 ATOM 741 N LEU 96 30.936 -3.557 11.106 1.00 0.00 ATOM 742 CA LEU 96 29.555 -3.682 11.616 1.00 0.00 ATOM 743 CB LEU 96 29.150 -5.150 11.775 1.00 0.00 ATOM 744 CG LEU 96 29.076 -5.943 10.461 1.00 0.00 ATOM 745 CD1 LEU 96 28.757 -7.394 10.700 1.00 0.00 ATOM 746 CD2 LEU 96 28.069 -5.342 9.482 1.00 0.00 ATOM 747 O LEU 96 28.283 -2.341 13.181 1.00 0.00 ATOM 748 C LEU 96 29.358 -2.899 12.922 1.00 0.00 ATOM 749 N HIS 97 30.408 -2.844 13.735 1.00 0.00 ATOM 750 CA HIS 97 30.393 -2.054 14.956 1.00 0.00 ATOM 751 CB HIS 97 31.709 -2.233 15.707 1.00 0.00 ATOM 752 CG HIS 97 31.799 -1.428 16.964 1.00 0.00 ATOM 753 CD2 HIS 97 32.467 -0.285 17.244 1.00 0.00 ATOM 754 ND1 HIS 97 31.140 -1.781 18.119 1.00 0.00 ATOM 755 CE1 HIS 97 31.404 -0.890 19.063 1.00 0.00 ATOM 756 NE2 HIS 97 32.203 0.030 18.555 1.00 0.00 ATOM 757 O HIS 97 29.315 0.099 15.117 1.00 0.00 ATOM 758 C HIS 97 30.182 -0.589 14.569 1.00 0.00 ATOM 759 N THR 98 30.932 -0.129 13.574 1.00 0.00 ATOM 760 CA THR 98 30.855 1.272 13.140 1.00 0.00 ATOM 761 CB THR 98 31.947 1.603 12.108 1.00 0.00 ATOM 762 CG2 THR 98 31.843 3.058 11.655 1.00 0.00 ATOM 763 OG1 THR 98 33.231 1.376 12.713 1.00 0.00 ATOM 764 O THR 98 28.867 2.601 12.994 1.00 0.00 ATOM 765 C THR 98 29.462 1.588 12.614 1.00 0.00 ATOM 766 N LEU 99 28.925 0.679 11.804 1.00 0.00 ATOM 767 CA LEU 99 27.603 0.867 11.221 1.00 0.00 ATOM 768 CB LEU 99 27.355 -0.155 10.120 1.00 0.00 ATOM 769 CG LEU 99 25.970 -0.025 9.475 1.00 0.00 ATOM 770 CD1 LEU 99 25.852 1.327 8.779 1.00 0.00 ATOM 771 CD2 LEU 99 25.735 -1.148 8.507 1.00 0.00 ATOM 772 O LEU 99 25.670 1.772 12.325 1.00 0.00 ATOM 773 C LEU 99 26.471 0.830 12.242 1.00 0.00 ATOM 774 N LEU 100 26.409 -0.252 13.021 1.00 0.00 ATOM 775 CA LEU 100 25.229 -0.530 13.838 1.00 0.00 ATOM 776 CB LEU 100 25.127 -2.041 14.125 1.00 0.00 ATOM 777 CG LEU 100 24.941 -2.981 12.921 1.00 0.00 ATOM 778 CD1 LEU 100 25.009 -4.466 13.365 1.00 0.00 ATOM 779 CD2 LEU 100 23.638 -2.728 12.142 1.00 0.00 ATOM 780 O LEU 100 24.165 0.689 15.608 1.00 0.00 ATOM 781 C LEU 100 25.216 0.257 15.148 1.00 0.00 ATOM 782 N LEU 101 26.394 0.418 15.750 1.00 0.00 ATOM 783 CA LEU 101 26.500 0.975 17.098 1.00 0.00 ATOM 784 CB LEU 101 27.290 0.037 18.026 1.00 0.00 ATOM 785 CG LEU 101 26.707 -1.352 18.285 1.00 0.00 ATOM 786 CD1 LEU 101 27.616 -2.142 19.249 1.00 0.00 ATOM 787 CD2 LEU 101 25.242 -1.275 18.819 1.00 0.00 ATOM 788 O LEU 101 26.574 3.194 17.947 1.00 0.00 ATOM 789 C LEU 101 27.072 2.382 17.166 1.00 0.00 ATOM 790 N GLN 102 28.112 2.679 16.382 1.00 0.00 ATOM 791 CA GLN 102 28.741 4.020 16.476 1.00 0.00 ATOM 792 CB GLN 102 30.234 3.975 16.123 1.00 0.00 ATOM 793 CG GLN 102 31.080 3.194 17.114 1.00 0.00 ATOM 794 CD GLN 102 32.559 3.266 16.807 1.00 0.00 ATOM 795 OE1 GLN 102 32.966 3.405 15.651 1.00 0.00 ATOM 796 NE2 GLN 102 33.378 3.167 17.848 1.00 0.00 ATOM 797 O GLN 102 28.250 6.290 15.848 1.00 0.00 ATOM 798 C GLN 102 28.039 5.087 15.636 1.00 0.00 ATOM 799 N THR 103 27.222 4.654 14.687 1.00 0.00 ATOM 800 CA THR 103 26.514 5.584 13.820 1.00 0.00 ATOM 801 CB THR 103 26.455 5.089 12.351 1.00 0.00 ATOM 802 CG2 THR 103 25.799 6.145 11.446 1.00 0.00 ATOM 803 OG1 THR 103 27.786 4.834 11.879 1.00 0.00 ATOM 804 O THR 103 24.310 4.935 14.560 1.00 0.00 ATOM 805 C THR 103 25.117 5.858 14.378 1.00 0.00 ATOM 806 N SER 104 24.856 7.129 14.665 1.00 0.00 ATOM 807 CA SER 104 23.551 7.554 15.173 1.00 0.00 ATOM 808 CB SER 104 23.677 8.130 16.585 1.00 0.00 ATOM 809 OG SER 104 23.760 7.084 17.558 1.00 0.00 ATOM 810 O SER 104 23.548 9.425 13.653 1.00 0.00 ATOM 811 C SER 104 22.878 8.584 14.281 1.00 0.00 ATOM 812 N ILE 105 21.552 8.527 14.256 1.00 0.00 ATOM 813 CA ILE 105 20.751 9.609 13.685 1.00 0.00 ATOM 814 CB ILE 105 19.420 9.110 13.102 1.00 0.00 ATOM 815 CG1 ILE 105 19.670 8.004 12.070 1.00 0.00 ATOM 816 CG2 ILE 105 18.651 10.287 12.479 1.00 0.00 ATOM 817 CD1 ILE 105 18.396 7.267 11.620 1.00 0.00 ATOM 818 O ILE 105 19.782 10.345 15.756 1.00 0.00 ATOM 819 C ILE 105 20.471 10.635 14.784 1.00 0.00 ATOM 820 N ALA 106 21.040 11.826 14.632 1.00 0.00 ATOM 821 CA ALA 106 20.790 12.913 15.576 1.00 0.00 ATOM 822 CB ALA 106 21.940 13.902 15.562 1.00 0.00 ATOM 823 O ALA 106 18.797 14.069 16.211 1.00 0.00 ATOM 824 C ALA 106 19.482 13.635 15.291 1.00 0.00 ATOM 825 N GLU 107 19.152 13.780 14.015 1.00 0.00 ATOM 826 CA GLU 107 17.959 14.506 13.603 1.00 0.00 ATOM 827 CB GLU 107 18.299 15.972 13.327 1.00 0.00 ATOM 828 CG GLU 107 17.247 16.954 13.848 1.00 0.00 ATOM 829 CD GLU 107 17.301 17.144 15.377 1.00 0.00 ATOM 830 OE1 GLU 107 16.244 17.384 15.973 1.00 0.00 ATOM 831 OE2 GLU 107 18.389 17.061 15.982 1.00 0.00 ATOM 832 O GLU 107 18.271 13.452 11.492 1.00 0.00 ATOM 833 C GLU 107 17.469 13.849 12.328 1.00 0.00 ATOM 834 N GLY 108 16.161 13.726 12.176 1.00 0.00 ATOM 835 CA GLY 108 15.655 13.130 10.956 1.00 0.00 ATOM 836 O GLY 108 13.411 13.284 11.788 1.00 0.00 ATOM 837 C GLY 108 14.180 12.850 10.914 1.00 0.00 ATOM 838 N GLU 109 13.799 12.124 9.865 1.00 0.00 ATOM 839 CA GLU 109 12.410 11.907 9.534 1.00 0.00 ATOM 840 CB GLU 109 11.948 12.983 8.544 1.00 0.00 ATOM 841 CG GLU 109 10.465 12.997 8.278 1.00 0.00 ATOM 842 CD GLU 109 10.036 14.071 7.261 1.00 0.00 ATOM 843 OE1 GLU 109 10.474 15.235 7.375 1.00 0.00 ATOM 844 OE2 GLU 109 9.241 13.727 6.354 1.00 0.00 ATOM 845 O GLU 109 13.147 10.162 8.070 1.00 0.00 ATOM 846 C GLU 109 12.296 10.537 8.880 1.00 0.00 ATOM 847 N MET 110 11.242 9.810 9.215 1.00 0.00 ATOM 848 CA MET 110 10.993 8.516 8.596 1.00 0.00 ATOM 849 CB MET 110 11.754 7.389 9.319 1.00 0.00 ATOM 850 CG MET 110 11.282 7.098 10.732 1.00 0.00 ATOM 851 SD MET 110 11.873 8.331 11.894 1.00 0.00 ATOM 852 CE MET 110 11.792 7.425 13.476 1.00 0.00 ATOM 853 O MET 110 8.778 8.644 9.484 1.00 0.00 ATOM 854 C MET 110 9.513 8.218 8.583 1.00 0.00 ATOM 855 N LYS 111 9.078 7.476 7.570 1.00 0.00 ATOM 856 CA LYS 111 7.654 7.208 7.390 1.00 0.00 ATOM 857 CB LYS 111 7.100 8.005 6.207 1.00 0.00 ATOM 858 CG LYS 111 7.466 7.506 4.813 1.00 0.00 ATOM 859 CD LYS 111 6.641 8.281 3.794 1.00 0.00 ATOM 860 CE LYS 111 6.927 7.815 2.375 1.00 0.00 ATOM 861 NZ LYS 111 5.989 8.488 1.414 1.00 0.00 ATOM 862 O LYS 111 8.067 4.877 6.906 1.00 0.00 ATOM 863 C LYS 111 7.266 5.736 7.277 1.00 0.00 ATOM 864 N CYS 112 6.006 5.448 7.597 1.00 0.00 ATOM 865 CA CYS 112 5.495 4.104 7.418 1.00 0.00 ATOM 866 CB CYS 112 4.245 3.879 8.262 1.00 0.00 ATOM 867 SG CYS 112 3.428 2.300 7.916 1.00 0.00 ATOM 868 O CYS 112 4.414 4.653 5.336 1.00 0.00 ATOM 869 C CYS 112 5.184 3.889 5.934 1.00 0.00 ATOM 870 N ARG 113 5.762 2.837 5.355 1.00 0.00 ATOM 871 CA ARG 113 5.542 2.508 3.937 1.00 0.00 ATOM 872 CB ARG 113 6.538 1.433 3.451 1.00 0.00 ATOM 873 CG ARG 113 8.015 1.886 3.379 1.00 0.00 ATOM 874 CD ARG 113 8.975 0.656 3.319 1.00 0.00 ATOM 875 NE ARG 113 10.238 0.860 4.038 1.00 0.00 ATOM 876 CZ ARG 113 11.373 1.279 3.472 1.00 0.00 ATOM 877 NH1 ARG 113 11.418 1.537 2.166 1.00 0.00 ATOM 878 NH2 ARG 113 12.466 1.449 4.208 1.00 0.00 ATOM 879 O ARG 113 3.655 2.158 2.489 1.00 0.00 ATOM 880 C ARG 113 4.097 2.072 3.635 1.00 0.00 ATOM 881 N ASN 114 3.384 1.596 4.656 1.00 0.00 ATOM 882 CA ASN 114 1.986 1.191 4.502 1.00 0.00 ATOM 883 CB ASN 114 1.614 0.135 5.540 1.00 0.00 ATOM 884 CG ASN 114 0.250 -0.479 5.279 1.00 0.00 ATOM 885 ND2 ASN 114 -0.607 -0.470 6.295 1.00 0.00 ATOM 886 OD1 ASN 114 -0.042 -0.923 4.158 1.00 0.00 ATOM 887 O ASN 114 0.020 2.337 3.759 1.00 0.00 ATOM 888 C ASN 114 0.963 2.324 4.549 1.00 0.00 ATOM 889 N CYS 115 1.122 3.247 5.494 1.00 0.00 ATOM 890 CA CYS 115 0.085 4.263 5.756 1.00 0.00 ATOM 891 CB CYS 115 -0.505 4.076 7.161 1.00 0.00 ATOM 892 SG CYS 115 0.505 4.726 8.520 1.00 0.00 ATOM 893 O CYS 115 -0.179 6.665 5.588 1.00 0.00 ATOM 894 C CYS 115 0.601 5.691 5.564 1.00 0.00 ATOM 895 N GLY 116 1.913 5.824 5.376 1.00 0.00 ATOM 896 CA GLY 116 2.519 7.123 5.128 1.00 0.00 ATOM 897 O GLY 116 3.117 9.135 6.232 1.00 0.00 ATOM 898 C GLY 116 2.700 7.994 6.365 1.00 0.00 ATOM 899 N HIS 117 2.383 7.474 7.565 1.00 0.00 ATOM 900 CA HIS 117 2.571 8.240 8.823 1.00 0.00 ATOM 901 CB HIS 117 2.227 7.398 10.061 1.00 0.00 ATOM 902 CG HIS 117 2.132 8.194 11.333 1.00 0.00 ATOM 903 CD2 HIS 117 3.088 8.767 12.101 1.00 0.00 ATOM 904 ND1 HIS 117 0.927 8.482 11.944 1.00 0.00 ATOM 905 CE1 HIS 117 1.151 9.194 13.036 1.00 0.00 ATOM 906 NE2 HIS 117 2.454 9.380 13.154 1.00 0.00 ATOM 907 O HIS 117 4.947 7.918 8.864 1.00 0.00 ATOM 908 C HIS 117 4.017 8.728 8.944 1.00 0.00 ATOM 909 N ILE 118 4.200 10.026 9.164 1.00 0.00 ATOM 910 CA ILE 118 5.546 10.573 9.310 1.00 0.00 ATOM 911 CB ILE 118 5.716 11.919 8.580 1.00 0.00 ATOM 912 CG1 ILE 118 5.313 11.765 7.100 1.00 0.00 ATOM 913 CG2 ILE 118 7.147 12.433 8.761 1.00 0.00 ATOM 914 CD1 ILE 118 5.105 13.079 6.325 1.00 0.00 ATOM 915 O ILE 118 5.355 11.369 11.588 1.00 0.00 ATOM 916 C ILE 118 5.991 10.692 10.772 1.00 0.00 ATOM 917 N TYR 119 7.107 10.035 11.079 1.00 0.00 ATOM 918 CA TYR 119 7.737 10.125 12.395 1.00 0.00 ATOM 919 CB TYR 119 8.097 8.720 12.883 1.00 0.00 ATOM 920 CG TYR 119 6.890 7.797 12.975 1.00 0.00 ATOM 921 CD1 TYR 119 6.044 7.843 14.075 1.00 0.00 ATOM 922 CD2 TYR 119 6.602 6.886 11.944 1.00 0.00 ATOM 923 CE1 TYR 119 4.936 6.994 14.165 1.00 0.00 ATOM 924 CE2 TYR 119 5.488 6.024 12.023 1.00 0.00 ATOM 925 CZ TYR 119 4.656 6.100 13.154 1.00 0.00 ATOM 926 OH TYR 119 3.546 5.260 13.276 1.00 0.00 ATOM 927 O TYR 119 9.546 11.211 11.277 1.00 0.00 ATOM 928 C TYR 119 8.998 10.985 12.351 1.00 0.00 ATOM 929 N TYR 120 9.453 11.430 13.524 1.00 0.00 ATOM 930 CA TYR 120 10.637 12.304 13.651 1.00 0.00 ATOM 931 CB TYR 120 10.211 13.754 13.973 1.00 0.00 ATOM 932 CG TYR 120 9.289 14.307 12.919 1.00 0.00 ATOM 933 CD1 TYR 120 9.798 14.840 11.739 1.00 0.00 ATOM 934 CD2 TYR 120 7.910 14.285 13.092 1.00 0.00 ATOM 935 CE1 TYR 120 8.970 15.318 10.751 1.00 0.00 ATOM 936 CE2 TYR 120 7.063 14.769 12.102 1.00 0.00 ATOM 937 CZ TYR 120 7.608 15.283 10.936 1.00 0.00 ATOM 938 OH TYR 120 6.776 15.767 9.960 1.00 0.00 ATOM 939 O TYR 120 11.278 11.137 15.662 1.00 0.00 ATOM 940 C TYR 120 11.635 11.825 14.692 1.00 0.00 ATOM 941 N ILE 121 12.902 12.162 14.460 1.00 0.00 ATOM 942 CA ILE 121 13.955 11.967 15.427 1.00 0.00 ATOM 943 CB ILE 121 15.069 11.050 14.885 1.00 0.00 ATOM 944 CG1 ILE 121 14.554 9.623 14.697 1.00 0.00 ATOM 945 CG2 ILE 121 16.278 11.021 15.818 1.00 0.00 ATOM 946 CD1 ILE 121 15.306 8.865 13.609 1.00 0.00 ATOM 947 O ILE 121 14.877 14.106 14.838 1.00 0.00 ATOM 948 C ILE 121 14.496 13.356 15.746 1.00 0.00 ATOM 949 N LYS 122 14.491 13.690 17.039 1.00 0.00 ATOM 950 CA LYS 122 14.935 14.996 17.512 1.00 0.00 ATOM 951 CB LYS 122 13.751 15.851 17.991 1.00 0.00 ATOM 952 CG LYS 122 14.155 17.280 18.327 1.00 0.00 ATOM 953 CD LYS 122 13.098 18.040 19.134 1.00 0.00 ATOM 954 CE LYS 122 13.349 19.540 19.048 1.00 0.00 ATOM 955 NZ LYS 122 13.427 19.956 17.611 1.00 0.00 ATOM 956 O LYS 122 15.667 14.077 19.604 1.00 0.00 ATOM 957 C LYS 122 15.942 14.795 18.642 1.00 0.00 ATOM 958 N ASN 123 17.114 15.409 18.486 1.00 0.00 ATOM 959 CA ASN 123 18.218 15.234 19.430 1.00 0.00 ATOM 960 CB ASN 123 17.951 16.042 20.711 1.00 0.00 ATOM 961 CG ASN 123 17.610 17.497 20.424 1.00 0.00 ATOM 962 ND2 ASN 123 18.552 18.215 19.837 1.00 0.00 ATOM 963 OD1 ASN 123 16.499 17.960 20.706 1.00 0.00 ATOM 964 O ASN 123 18.659 13.363 20.911 1.00 0.00 ATOM 965 C ASN 123 18.454 13.753 19.742 1.00 0.00 ATOM 966 N GLY 124 18.389 12.929 18.690 1.00 0.00 ATOM 967 CA GLY 124 18.678 11.494 18.789 1.00 0.00 ATOM 968 O GLY 124 17.621 9.434 19.366 1.00 0.00 ATOM 969 C GLY 124 17.506 10.656 19.273 1.00 0.00 ATOM 970 N ILE 125 16.373 11.305 19.555 1.00 0.00 ATOM 971 CA ILE 125 15.202 10.630 20.153 1.00 0.00 ATOM 972 CB ILE 125 14.735 11.309 21.502 1.00 0.00 ATOM 973 CG1 ILE 125 15.894 11.391 22.510 1.00 0.00 ATOM 974 CG2 ILE 125 13.572 10.517 22.105 1.00 0.00 ATOM 975 CD1 ILE 125 15.683 12.402 23.657 1.00 0.00 ATOM 976 O ILE 125 13.489 11.583 18.774 1.00 0.00 ATOM 977 C ILE 125 14.014 10.548 19.193 1.00 0.00 ATOM 978 N PRO 126 13.559 9.314 18.872 1.00 0.00 ATOM 979 CA PRO 126 12.406 9.155 17.984 1.00 0.00 ATOM 980 CB PRO 126 12.473 7.671 17.595 1.00 0.00 ATOM 981 CG PRO 126 13.088 7.014 18.798 1.00 0.00 ATOM 982 CD PRO 126 14.077 8.013 19.346 1.00 0.00 ATOM 983 O PRO 126 11.006 9.314 19.944 1.00 0.00 ATOM 984 C PRO 126 11.090 9.467 18.719 1.00 0.00 ATOM 985 N ASN 127 10.074 9.908 17.987 1.00 0.00 ATOM 986 CA ASN 127 8.800 10.222 18.625 1.00 0.00 ATOM 987 CB ASN 127 8.213 11.534 18.078 1.00 0.00 ATOM 988 CG ASN 127 7.651 11.391 16.671 1.00 0.00 ATOM 989 ND2 ASN 127 6.734 12.284 16.312 1.00 0.00 ATOM 990 OD1 ASN 127 8.028 10.496 15.929 1.00 0.00 ATOM 991 O ASN 127 6.604 9.239 18.602 1.00 0.00 ATOM 992 C ASN 127 7.819 9.049 18.532 1.00 0.00 ATOM 993 N LEU 128 8.397 7.853 18.394 1.00 0.00 ATOM 994 CA LEU 128 7.732 6.544 18.303 1.00 0.00 ATOM 995 CB LEU 128 8.094 5.920 16.931 1.00 0.00 ATOM 996 CG LEU 128 7.579 4.619 16.339 1.00 0.00 ATOM 997 CD1 LEU 128 6.079 4.565 16.451 1.00 0.00 ATOM 998 CD2 LEU 128 7.978 4.410 14.895 1.00 0.00 ATOM 999 O LEU 128 9.491 5.762 19.746 1.00 0.00 ATOM 1000 C LEU 128 8.300 5.699 19.471 1.00 0.00 ATOM 1001 N LEU 129 7.472 4.916 20.167 1.00 0.00 ATOM 1002 CA LEU 129 7.949 4.220 21.383 1.00 0.00 ATOM 1003 CB LEU 129 6.783 3.548 22.120 1.00 0.00 ATOM 1004 CG LEU 129 6.990 3.150 23.580 1.00 0.00 ATOM 1005 CD1 LEU 129 7.404 4.349 24.445 1.00 0.00 ATOM 1006 CD2 LEU 129 5.706 2.503 24.117 1.00 0.00 ATOM 1007 O LEU 129 8.918 2.302 20.303 1.00 0.00 ATOM 1008 C LEU 129 9.069 3.205 21.121 1.00 0.00 ATOM 1009 N LEU 130 10.197 3.364 21.816 1.00 0.00 ATOM 1010 CA LEU 130 11.302 2.409 21.715 1.00 0.00 ATOM 1011 CB LEU 130 12.593 3.021 22.257 1.00 0.00 ATOM 1012 CG LEU 130 13.210 4.185 21.469 1.00 0.00 ATOM 1013 CD1 LEU 130 14.214 4.925 22.311 1.00 0.00 ATOM 1014 CD2 LEU 130 13.856 3.681 20.195 1.00 0.00 ATOM 1015 O LEU 130 10.515 1.159 23.611 1.00 0.00 ATOM 1016 C LEU 130 10.984 1.107 22.468 1.00 0.00 ATOM 1017 N PRO 131 11.228 -0.060 21.832 1.00 0.00 ATOM 1018 CA PRO 131 11.029 -1.341 22.557 1.00 0.00 ATOM 1019 CB PRO 131 11.188 -2.410 21.462 1.00 0.00 ATOM 1020 CG PRO 131 11.924 -1.733 20.329 1.00 0.00 ATOM 1021 CD PRO 131 11.663 -0.251 20.430 1.00 0.00 ATOM 1022 O PRO 131 13.203 -1.129 23.554 1.00 0.00 ATOM 1023 C PRO 131 12.052 -1.547 23.691 1.00 0.00 ATOM 1024 N PRO 132 11.642 -2.200 24.804 1.00 0.00 ATOM 1025 CA PRO 132 12.555 -2.358 25.955 1.00 0.00 ATOM 1026 CB PRO 132 11.639 -2.873 27.073 1.00 0.00 ATOM 1027 CG PRO 132 10.499 -3.518 26.376 1.00 0.00 ATOM 1028 CD PRO 132 10.328 -2.827 25.047 1.00 0.00 ATOM 1029 O PRO 132 14.707 -3.373 26.402 1.00 0.00 ATOM 1030 C PRO 132 13.694 -3.343 25.679 1.00 0.00 ATOM 1031 N HIS 133 13.529 -4.126 24.622 1.00 0.00 ATOM 1032 CA HIS 133 14.548 -5.070 24.190 1.00 0.00 ATOM 1033 CB HIS 133 14.472 -6.367 25.012 1.00 0.00 ATOM 1034 CG HIS 133 13.215 -7.158 24.803 1.00 0.00 ATOM 1035 CD2 HIS 133 11.928 -6.770 24.637 1.00 0.00 ATOM 1036 ND1 HIS 133 13.212 -8.536 24.735 1.00 0.00 ATOM 1037 CE1 HIS 133 11.975 -8.961 24.537 1.00 0.00 ATOM 1038 NE2 HIS 133 11.176 -7.910 24.474 1.00 0.00 ATOM 1039 O HIS 133 13.302 -5.093 22.128 1.00 0.00 ATOM 1040 C HIS 133 14.384 -5.321 22.691 1.00 0.00 ATOM 1041 N LEU 134 15.453 -5.786 22.054 1.00 0.00 ATOM 1042 CA LEU 134 15.489 -5.911 20.605 1.00 0.00 ATOM 1043 CB LEU 134 16.747 -5.236 20.037 1.00 0.00 ATOM 1044 CG LEU 134 17.033 -3.799 20.491 1.00 0.00 ATOM 1045 CD1 LEU 134 18.447 -3.354 20.103 1.00 0.00 ATOM 1046 CD2 LEU 134 15.990 -2.815 19.956 1.00 0.00 ATOM 1047 O LEU 134 16.372 -8.126 20.477 1.00 0.00 ATOM 1048 C LEU 134 15.442 -7.375 20.205 1.00 0.00 ATOM 1049 N VAL 135 14.346 -7.776 19.577 1.00 0.00 ATOM 1050 CA VAL 135 14.194 -9.149 19.097 1.00 0.00 ATOM 1051 CB VAL 135 13.714 -10.113 20.244 1.00 0.00 ATOM 1052 CG1 VAL 135 12.243 -9.882 20.586 1.00 0.00 ATOM 1053 CG2 VAL 135 14.003 -11.602 19.897 1.00 0.00 ATOM 1054 O VAL 135 12.336 -8.358 17.780 1.00 0.00 ATOM 1055 C VAL 135 13.248 -9.188 17.888 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1220564194.pdb -s /var/tmp/to_scwrl_1220564194.seq -o /var/tmp/from_scwrl_1220564194.pdb > /var/tmp/scwrl_1220564194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1220564194.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -19.074 # GDT_score(maxd=8.000,maxw=2.900)= -18.001 # GDT_score(maxd=8.000,maxw=3.200)= -17.262 # GDT_score(maxd=8.000,maxw=3.500)= -16.607 # GDT_score(maxd=10.000,maxw=3.800)= -18.233 # GDT_score(maxd=10.000,maxw=4.000)= -17.803 # GDT_score(maxd=10.000,maxw=4.200)= -17.414 # GDT_score(maxd=12.000,maxw=4.300)= -19.281 # GDT_score(maxd=12.000,maxw=4.500)= -18.852 # GDT_score(maxd=12.000,maxw=4.700)= -18.435 # GDT_score(maxd=14.000,maxw=5.200)= -19.210 # GDT_score(maxd=14.000,maxw=5.500)= -18.607 # command:# request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1356354030.pdb -s /var/tmp/to_scwrl_1356354030.seq -o /var/tmp/from_scwrl_1356354030.pdb > /var/tmp/scwrl_1356354030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1356354030.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 130 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -16.667 # GDT_score(maxd=8.000,maxw=2.900)= -15.679 # GDT_score(maxd=8.000,maxw=3.200)= -15.190 # GDT_score(maxd=8.000,maxw=3.500)= -14.713 # GDT_score(maxd=10.000,maxw=3.800)= -16.081 # GDT_score(maxd=10.000,maxw=4.000)= -15.758 # GDT_score(maxd=10.000,maxw=4.200)= -15.467 # GDT_score(maxd=12.000,maxw=4.300)= -16.970 # GDT_score(maxd=12.000,maxw=4.500)= -16.643 # GDT_score(maxd=12.000,maxw=4.700)= -16.345 # GDT_score(maxd=14.000,maxw=5.200)= -17.340 # GDT_score(maxd=14.000,maxw=5.500)= -16.858 # command:# request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_699493095.pdb -s /var/tmp/to_scwrl_699493095.seq -o /var/tmp/from_scwrl_699493095.pdb > /var/tmp/scwrl_699493095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_699493095.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 129 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -18.333 # GDT_score(maxd=8.000,maxw=2.900)= -16.803 # GDT_score(maxd=8.000,maxw=3.200)= -16.130 # GDT_score(maxd=8.000,maxw=3.500)= -15.573 # GDT_score(maxd=10.000,maxw=3.800)= -17.186 # GDT_score(maxd=10.000,maxw=4.000)= -16.808 # GDT_score(maxd=10.000,maxw=4.200)= -16.466 # GDT_score(maxd=12.000,maxw=4.300)= -18.329 # GDT_score(maxd=12.000,maxw=4.500)= -17.942 # GDT_score(maxd=12.000,maxw=4.700)= -17.589 # GDT_score(maxd=14.000,maxw=5.200)= -18.542 # GDT_score(maxd=14.000,maxw=5.500)= -17.930 # command:# request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_396814077.pdb -s /var/tmp/to_scwrl_396814077.seq -o /var/tmp/from_scwrl_396814077.pdb > /var/tmp/scwrl_396814077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_396814077.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -17.222 # GDT_score(maxd=8.000,maxw=2.900)= -15.199 # GDT_score(maxd=8.000,maxw=3.200)= -14.617 # GDT_score(maxd=8.000,maxw=3.500)= -14.126 # GDT_score(maxd=10.000,maxw=3.800)= -16.369 # GDT_score(maxd=10.000,maxw=4.000)= -15.995 # GDT_score(maxd=10.000,maxw=4.200)= -15.657 # GDT_score(maxd=12.000,maxw=4.300)= -17.907 # GDT_score(maxd=12.000,maxw=4.500)= -17.506 # GDT_score(maxd=12.000,maxw=4.700)= -17.114 # GDT_score(maxd=14.000,maxw=5.200)= -18.436 # GDT_score(maxd=14.000,maxw=5.500)= -17.802 # command:# request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_50314357.pdb -s /var/tmp/to_scwrl_50314357.seq -o /var/tmp/from_scwrl_50314357.pdb > /var/tmp/scwrl_50314357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_50314357.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 T0319.try1-opt2.pdb looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -18.148 # GDT_score(maxd=8.000,maxw=2.900)= -17.488 # GDT_score(maxd=8.000,maxw=3.200)= -16.682 # GDT_score(maxd=8.000,maxw=3.500)= -16.014 # GDT_score(maxd=10.000,maxw=3.800)= -17.698 # GDT_score(maxd=10.000,maxw=4.000)= -17.258 # GDT_score(maxd=10.000,maxw=4.200)= -16.859 # GDT_score(maxd=12.000,maxw=4.300)= -18.817 # GDT_score(maxd=12.000,maxw=4.500)= -18.376 # GDT_score(maxd=12.000,maxw=4.700)= -17.945 # GDT_score(maxd=14.000,maxw=5.200)= -18.889 # GDT_score(maxd=14.000,maxw=5.500)= -18.211 # command:# Prefix for output files set to # command:EXPDTA T0319.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0319.try1-opt2.pdb ATOM 1 N MET A 1 15.446 14.221 15.595 1.00 0.00 ATOM 2 CA MET A 1 15.361 12.908 14.868 1.00 0.00 ATOM 3 CB MET A 1 16.775 12.606 14.296 1.00 0.00 ATOM 4 CG MET A 1 17.305 13.630 13.312 1.00 0.00 ATOM 5 SD MET A 1 16.223 13.809 11.896 1.00 0.00 ATOM 6 CE MET A 1 16.468 12.257 11.077 1.00 0.00 ATOM 7 O MET A 1 14.644 10.641 15.122 1.00 0.00 ATOM 8 C MET A 1 14.832 11.728 15.679 1.00 0.00 ATOM 9 N LYS A 2 14.588 11.941 16.981 1.00 0.00 ATOM 10 CA LYS A 2 14.054 10.897 17.849 1.00 0.00 ATOM 11 CB LYS A 2 14.138 11.206 19.270 1.00 0.00 ATOM 12 CG LYS A 2 13.347 12.385 19.784 1.00 0.00 ATOM 13 CD LYS A 2 13.820 12.522 21.240 1.00 0.00 ATOM 14 CE LYS A 2 12.643 12.560 22.204 1.00 0.00 ATOM 15 NZ LYS A 2 12.600 13.949 22.727 1.00 0.00 ATOM 16 O LYS A 2 12.207 9.379 17.624 1.00 0.00 ATOM 17 C LYS A 2 12.630 10.522 17.450 1.00 0.00 ATOM 18 N PHE A 3 11.857 11.573 16.919 1.00 0.00 ATOM 19 CA PHE A 3 10.482 11.332 16.498 1.00 0.00 ATOM 20 CB PHE A 3 9.718 12.589 16.080 1.00 0.00 ATOM 21 CG PHE A 3 10.175 13.213 14.782 1.00 0.00 ATOM 22 CD1 PHE A 3 9.666 12.771 13.556 1.00 0.00 ATOM 23 CD2 PHE A 3 11.085 14.271 14.786 1.00 0.00 ATOM 24 CE1 PHE A 3 10.086 13.352 12.349 1.00 0.00 ATOM 25 CE2 PHE A 3 11.506 14.870 13.580 1.00 0.00 ATOM 26 CZ PHE A 3 11.008 14.406 12.364 1.00 0.00 ATOM 27 O PHE A 3 9.435 9.485 15.376 1.00 0.00 ATOM 28 C PHE A 3 10.417 10.223 15.453 1.00 0.00 ATOM 29 N LEU A 4 11.462 10.107 14.648 1.00 0.00 ATOM 30 CA LEU A 4 11.542 9.092 13.600 1.00 0.00 ATOM 31 CB LEU A 4 12.693 9.419 12.635 1.00 0.00 ATOM 32 CG LEU A 4 12.566 10.705 11.801 1.00 0.00 ATOM 33 CD1 LEU A 4 13.781 10.871 10.922 1.00 0.00 ATOM 34 CD2 LEU A 4 11.293 10.682 10.958 1.00 0.00 ATOM 35 O LEU A 4 11.052 6.744 13.633 1.00 0.00 ATOM 36 C LEU A 4 11.657 7.676 14.166 1.00 0.00 ATOM 37 N THR A 5 12.445 7.540 15.246 1.00 0.00 ATOM 38 CA THR A 5 12.591 6.212 15.853 1.00 0.00 ATOM 39 CB THR A 5 13.655 6.231 16.972 1.00 0.00 ATOM 40 CG2 THR A 5 13.904 4.845 17.545 1.00 0.00 ATOM 41 OG1 THR A 5 14.871 6.738 16.382 1.00 0.00 ATOM 42 O THR A 5 10.965 4.483 16.324 1.00 0.00 ATOM 43 C THR A 5 11.271 5.688 16.405 1.00 0.00 ATOM 44 N THR A 6 10.464 6.561 16.992 1.00 0.00 ATOM 45 CA THR A 6 9.165 6.126 17.513 1.00 0.00 ATOM 46 CB THR A 6 8.512 7.267 18.295 1.00 0.00 ATOM 47 CG2 THR A 6 7.172 6.840 18.804 1.00 0.00 ATOM 48 OG1 THR A 6 9.350 7.622 19.422 1.00 0.00 ATOM 49 O THR A 6 7.728 4.498 16.528 1.00 0.00 ATOM 50 C THR A 6 8.327 5.566 16.382 1.00 0.00 ATOM 51 N ASN A 7 8.242 6.234 15.211 1.00 0.00 ATOM 52 CA ASN A 7 7.429 5.759 14.096 1.00 0.00 ATOM 53 CB ASN A 7 7.371 6.824 13.014 1.00 0.00 ATOM 54 CG ASN A 7 6.454 8.004 13.341 1.00 0.00 ATOM 55 ND2 ASN A 7 6.415 8.945 12.413 1.00 0.00 ATOM 56 OD1 ASN A 7 5.780 8.060 14.352 1.00 0.00 ATOM 57 O ASN A 7 7.219 3.522 13.258 1.00 0.00 ATOM 58 C ASN A 7 7.981 4.451 13.530 1.00 0.00 ATOM 59 N PHE A 8 9.277 4.386 13.352 1.00 0.00 ATOM 60 CA PHE A 8 9.930 3.190 12.794 1.00 0.00 ATOM 61 CB PHE A 8 11.406 3.253 12.882 1.00 0.00 ATOM 62 CG PHE A 8 12.090 2.025 12.360 1.00 0.00 ATOM 63 CD1 PHE A 8 12.219 1.815 10.992 1.00 0.00 ATOM 64 CD2 PHE A 8 12.608 1.077 13.234 1.00 0.00 ATOM 65 CE1 PHE A 8 12.855 0.676 10.501 1.00 0.00 ATOM 66 CE2 PHE A 8 13.245 -0.067 12.753 1.00 0.00 ATOM 67 CZ PHE A 8 13.369 -0.265 11.382 1.00 0.00 ATOM 68 O PHE A 8 9.226 0.908 13.062 1.00 0.00 ATOM 69 C PHE A 8 9.619 1.941 13.618 1.00 0.00 ATOM 70 N LEU A 9 9.784 2.031 14.945 1.00 0.00 ATOM 71 CA LEU A 9 9.508 0.903 15.826 1.00 0.00 ATOM 72 CB LEU A 9 9.964 1.247 17.256 1.00 0.00 ATOM 73 CG LEU A 9 9.708 0.169 18.319 1.00 0.00 ATOM 74 CD1 LEU A 9 10.393 -1.147 17.980 1.00 0.00 ATOM 75 CD2 LEU A 9 10.204 0.675 19.672 1.00 0.00 ATOM 76 O LEU A 9 7.764 -0.734 15.673 1.00 0.00 ATOM 77 C LEU A 9 8.047 0.462 15.751 1.00 0.00 ATOM 78 N LYS A 10 7.134 1.430 15.752 1.00 0.00 ATOM 79 CA LYS A 10 5.708 1.124 15.670 1.00 0.00 ATOM 80 CB LYS A 10 4.882 2.411 15.689 1.00 0.00 ATOM 81 CG LYS A 10 3.379 2.185 15.653 1.00 0.00 ATOM 82 CD LYS A 10 2.621 3.499 15.753 1.00 0.00 ATOM 83 CE LYS A 10 1.120 3.275 15.688 1.00 0.00 ATOM 84 NZ LYS A 10 0.363 4.556 15.770 1.00 0.00 ATOM 85 O LYS A 10 4.604 -0.584 14.384 1.00 0.00 ATOM 86 C LYS A 10 5.383 0.375 14.377 1.00 0.00 ATOM 87 N CYS A 11 5.997 0.802 13.272 1.00 0.00 ATOM 88 CA CYS A 11 5.776 0.169 11.976 1.00 0.00 ATOM 89 CB CYS A 11 6.426 0.988 10.859 1.00 0.00 ATOM 90 SG CYS A 11 5.614 2.569 10.523 1.00 0.00 ATOM 91 O CYS A 11 5.782 -2.159 11.378 1.00 0.00 ATOM 92 C CYS A 11 6.368 -1.239 11.961 1.00 0.00 ATOM 93 N SER A 12 7.536 -1.432 12.576 1.00 0.00 ATOM 94 CA SER A 12 8.168 -2.746 12.614 1.00 0.00 ATOM 95 CB SER A 12 9.570 -2.647 13.219 1.00 0.00 ATOM 96 OG SER A 12 10.429 -1.880 12.392 1.00 0.00 ATOM 97 O SER A 12 7.181 -4.886 13.101 1.00 0.00 ATOM 98 C SER A 12 7.338 -3.719 13.457 1.00 0.00 ATOM 99 N VAL A 13 6.791 -3.226 14.564 1.00 0.00 ATOM 100 CA VAL A 13 5.973 -4.047 15.453 1.00 0.00 ATOM 101 CB VAL A 13 5.586 -3.282 16.731 1.00 0.00 ATOM 102 CG1 VAL A 13 4.721 -4.151 17.631 1.00 0.00 ATOM 103 CG2 VAL A 13 6.830 -2.876 17.508 1.00 0.00 ATOM 104 O VAL A 13 4.241 -5.455 14.460 1.00 0.00 ATOM 105 C VAL A 13 4.737 -4.323 14.551 1.00 0.00 ATOM 106 N LYS A 14 4.128 -3.344 13.768 1.00 0.00 ATOM 107 CA LYS A 14 2.919 -3.639 12.894 1.00 0.00 ATOM 108 CB LYS A 14 2.250 -2.383 12.332 1.00 0.00 ATOM 109 CG LYS A 14 0.920 -2.643 11.644 1.00 0.00 ATOM 110 CD LYS A 14 0.280 -1.347 11.173 1.00 0.00 ATOM 111 CE LYS A 14 -1.027 -1.611 10.442 1.00 0.00 ATOM 112 NZ LYS A 14 -1.655 -0.352 9.954 1.00 0.00 ATOM 113 O LYS A 14 2.486 -5.637 11.625 1.00 0.00 ATOM 114 C LYS A 14 3.152 -4.608 11.726 1.00 0.00 ATOM 115 N ALA A 15 4.115 -4.287 10.863 1.00 0.00 ATOM 116 CA ALA A 15 4.425 -5.111 9.696 1.00 0.00 ATOM 117 CB ALA A 15 5.357 -4.365 8.754 1.00 0.00 ATOM 118 O ALA A 15 4.903 -7.442 9.343 1.00 0.00 ATOM 119 C ALA A 15 5.112 -6.441 10.027 1.00 0.00 ATOM 120 N CYS A 16 5.940 -6.444 11.067 1.00 0.00 ATOM 121 CA CYS A 16 6.660 -7.648 11.486 1.00 0.00 ATOM 122 CB CYS A 16 8.153 -7.512 11.185 1.00 0.00 ATOM 123 SG CYS A 16 8.548 -7.334 9.429 1.00 0.00 ATOM 124 O CYS A 16 7.325 -7.518 13.789 1.00 0.00 ATOM 125 C CYS A 16 6.418 -7.759 12.988 1.00 0.00 ATOM 126 N ASP A 17 5.204 -8.191 13.382 1.00 0.00 ATOM 127 CA ASP A 17 4.738 -8.359 14.763 1.00 0.00 ATOM 128 CB ASP A 17 3.411 -9.120 14.790 1.00 0.00 ATOM 129 CG ASP A 17 2.249 -8.281 14.297 1.00 0.00 ATOM 130 OD1 ASP A 17 2.426 -7.056 14.136 1.00 0.00 ATOM 131 OD2 ASP A 17 1.157 -8.850 14.075 1.00 0.00 ATOM 132 O ASP A 17 5.630 -8.881 16.911 1.00 0.00 ATOM 133 C ASP A 17 5.643 -9.129 15.709 1.00 0.00 ATOM 134 N THR A 18 6.416 -10.075 15.186 1.00 0.00 ATOM 135 CA THR A 18 7.313 -10.852 16.033 1.00 0.00 ATOM 136 CB THR A 18 8.079 -11.912 15.220 1.00 0.00 ATOM 137 CG2 THR A 18 7.111 -12.871 14.546 1.00 0.00 ATOM 138 OG1 THR A 18 8.868 -11.267 14.212 1.00 0.00 ATOM 139 O THR A 18 8.958 -10.393 17.723 1.00 0.00 ATOM 140 C THR A 18 8.362 -9.982 16.727 1.00 0.00 ATOM 141 N SER A 19 8.554 -8.724 16.159 1.00 0.00 ATOM 142 CA SER A 19 9.521 -7.803 16.746 1.00 0.00 ATOM 143 CB SER A 19 9.720 -6.587 15.841 1.00 0.00 ATOM 144 OG SER A 19 8.542 -5.804 15.771 1.00 0.00 ATOM 145 O SER A 19 9.832 -6.757 18.902 1.00 0.00 ATOM 146 C SER A 19 9.051 -7.308 18.122 1.00 0.00 ATOM 147 N ASN A 20 7.783 -7.551 18.436 1.00 0.00 ATOM 148 CA ASN A 20 7.214 -7.158 19.723 1.00 0.00 ATOM 149 CB ASN A 20 5.741 -7.803 19.887 1.00 0.00 ATOM 150 CG ASN A 20 4.819 -7.127 20.894 1.00 0.00 ATOM 151 ND2 ASN A 20 4.015 -7.929 21.579 1.00 0.00 ATOM 152 OD1 ASN A 20 4.829 -5.914 21.048 1.00 0.00 ATOM 153 O ASN A 20 7.731 -7.628 22.031 1.00 0.00 ATOM 154 C ASN A 20 7.806 -8.003 20.857 1.00 0.00 ATOM 155 N ASP A 21 8.418 -9.126 20.487 1.00 0.00 ATOM 156 CA ASP A 21 9.033 -10.075 21.418 1.00 0.00 ATOM 157 CB ASP A 21 10.245 -10.744 20.797 1.00 0.00 ATOM 158 CG ASP A 21 10.925 -9.911 19.727 1.00 0.00 ATOM 159 OD1 ASP A 21 11.096 -8.689 19.938 1.00 0.00 ATOM 160 OD2 ASP A 21 11.290 -10.484 18.674 1.00 0.00 ATOM 161 O ASP A 21 10.158 -9.957 23.503 1.00 0.00 ATOM 162 C ASP A 21 9.989 -9.466 22.408 1.00 0.00 ATOM 163 N ASN A 22 10.648 -8.396 22.122 1.00 0.00 ATOM 164 CA ASN A 22 11.585 -7.791 23.082 1.00 0.00 ATOM 165 CB ASN A 22 12.810 -7.273 22.325 1.00 0.00 ATOM 166 CG ASN A 22 13.633 -8.390 21.714 1.00 0.00 ATOM 167 ND2 ASN A 22 13.769 -8.371 20.394 1.00 0.00 ATOM 168 OD1 ASN A 22 14.138 -9.260 22.424 1.00 0.00 ATOM 169 O ASN A 22 11.756 -6.075 24.729 1.00 0.00 ATOM 170 C ASN A 22 11.053 -6.604 23.868 1.00 0.00 ATOM 171 N PHE A 23 9.703 -6.261 23.539 1.00 0.00 ATOM 172 CA PHE A 23 9.347 -5.075 24.306 1.00 0.00 ATOM 173 CB PHE A 23 9.066 -3.787 23.355 1.00 0.00 ATOM 174 CG PHE A 23 9.927 -3.596 22.146 1.00 0.00 ATOM 175 CD1 PHE A 23 9.666 -4.261 20.967 1.00 0.00 ATOM 176 CD2 PHE A 23 10.993 -2.727 22.214 1.00 0.00 ATOM 177 CE1 PHE A 23 10.484 -4.060 19.849 1.00 0.00 ATOM 178 CE2 PHE A 23 11.820 -2.531 21.097 1.00 0.00 ATOM 179 CZ PHE A 23 11.550 -3.190 19.940 1.00 0.00 ATOM 180 O PHE A 23 7.421 -4.329 25.535 1.00 0.00 ATOM 181 C PHE A 23 8.218 -5.245 25.321 1.00 0.00 ATOM 182 N PRO A 24 8.194 -6.389 25.996 1.00 0.00 ATOM 183 CA PRO A 24 7.166 -6.652 26.987 1.00 0.00 ATOM 184 CB PRO A 24 7.491 -8.060 27.492 1.00 0.00 ATOM 185 CG PRO A 24 8.207 -8.709 26.357 1.00 0.00 ATOM 186 CD PRO A 24 9.046 -7.634 25.722 1.00 0.00 ATOM 187 O PRO A 24 6.113 -5.293 28.628 1.00 0.00 ATOM 188 C PRO A 24 7.186 -5.612 28.109 1.00 0.00 ATOM 189 N LEU A 25 8.364 -5.110 28.475 1.00 0.00 ATOM 190 CA LEU A 25 8.404 -4.149 29.561 1.00 0.00 ATOM 191 CB LEU A 25 9.857 -4.006 30.019 1.00 0.00 ATOM 192 CG LEU A 25 10.506 -5.256 30.617 1.00 0.00 ATOM 193 CD1 LEU A 25 11.972 -5.006 30.927 1.00 0.00 ATOM 194 CD2 LEU A 25 9.808 -5.659 31.907 1.00 0.00 ATOM 195 O LEU A 25 7.306 -2.060 29.988 1.00 0.00 ATOM 196 C LEU A 25 7.771 -2.826 29.144 1.00 0.00 ATOM 197 N GLN A 26 7.657 -2.478 27.752 1.00 0.00 ATOM 198 CA GLN A 26 7.077 -1.243 27.235 1.00 0.00 ATOM 199 CB GLN A 26 7.147 -1.552 25.539 1.00 0.00 ATOM 200 CG GLN A 26 5.783 -2.033 25.116 1.00 0.00 ATOM 201 CD GLN A 26 5.789 -2.524 23.658 1.00 0.00 ATOM 202 OE1 GLN A 26 5.080 -3.477 23.320 1.00 0.00 ATOM 203 NE2 GLN A 26 6.610 -1.904 22.811 1.00 0.00 ATOM 204 O GLN A 26 5.089 0.072 27.514 1.00 0.00 ATOM 205 C GLN A 26 5.611 -1.040 27.599 1.00 0.00 ATOM 206 N TYR A 27 4.945 -2.119 27.998 1.00 0.00 ATOM 207 CA TYR A 27 3.553 -2.024 28.387 1.00 0.00 ATOM 208 CB TYR A 27 3.240 -0.627 28.926 1.00 0.00 ATOM 209 CG TYR A 27 3.956 -0.294 30.215 1.00 0.00 ATOM 210 CD1 TYR A 27 5.124 0.457 30.205 1.00 0.00 ATOM 211 CD2 TYR A 27 3.463 -0.731 31.437 1.00 0.00 ATOM 212 CE1 TYR A 27 5.786 0.767 31.378 1.00 0.00 ATOM 213 CE2 TYR A 27 4.111 -0.431 32.620 1.00 0.00 ATOM 214 CZ TYR A 27 5.282 0.325 32.582 1.00 0.00 ATOM 215 OH TYR A 27 5.940 0.632 33.751 1.00 0.00 ATOM 216 O TYR A 27 2.667 -3.208 26.497 1.00 0.00 ATOM 217 C TYR A 27 2.556 -2.252 27.264 1.00 0.00 ATOM 218 N ASP A 28 1.580 -1.351 27.176 1.00 0.00 ATOM 219 CA ASP A 28 0.527 -1.459 26.168 1.00 0.00 ATOM 220 CB ASP A 28 -0.682 -0.615 26.577 1.00 0.00 ATOM 221 CG ASP A 28 -1.424 -1.196 27.765 1.00 0.00 ATOM 222 OD1 ASP A 28 -1.186 -2.377 28.093 1.00 0.00 ATOM 223 OD2 ASP A 28 -2.243 -0.471 28.367 1.00 0.00 ATOM 224 O ASP A 28 0.157 -1.049 23.862 1.00 0.00 ATOM 225 C ASP A 28 0.945 -0.998 24.778 1.00 0.00 ATOM 226 N GLY A 29 2.164 -0.534 24.614 1.00 0.00 ATOM 227 CA GLY A 29 2.647 -0.056 23.348 1.00 0.00 ATOM 228 O GLY A 29 2.259 1.672 21.806 1.00 0.00 ATOM 229 C GLY A 29 2.104 1.294 22.944 1.00 0.00 ATOM 230 N SER A 30 1.471 2.016 23.877 1.00 0.00 ATOM 231 CA SER A 30 0.948 3.343 23.587 1.00 0.00 ATOM 232 CB SER A 30 0.002 3.794 24.702 1.00 0.00 ATOM 233 OG SER A 30 0.710 4.033 25.905 1.00 0.00 ATOM 234 O SER A 30 3.232 4.068 23.539 1.00 0.00 ATOM 235 C SER A 30 2.055 4.365 23.351 1.00 0.00 ATOM 236 N LYS A 31 1.678 5.556 22.952 1.00 0.00 ATOM 237 CA LYS A 31 2.670 6.604 22.731 1.00 0.00 ATOM 238 CB LYS A 31 1.953 7.893 22.325 1.00 0.00 ATOM 239 CG LYS A 31 2.887 9.054 22.020 1.00 0.00 ATOM 240 CD LYS A 31 2.113 10.280 21.563 1.00 0.00 ATOM 241 CE LYS A 31 3.042 11.455 21.307 1.00 0.00 ATOM 242 NZ LYS A 31 2.299 12.658 20.837 1.00 0.00 ATOM 243 O LYS A 31 4.670 7.181 23.924 1.00 0.00 ATOM 244 C LYS A 31 3.464 6.936 23.993 1.00 0.00 ATOM 245 N CYS A 32 2.906 6.994 25.285 1.00 0.00 ATOM 246 CA CYS A 32 3.578 7.363 26.527 1.00 0.00 ATOM 247 CB CYS A 32 2.601 7.491 27.698 1.00 0.00 ATOM 248 SG CYS A 32 1.483 8.907 27.585 1.00 0.00 ATOM 249 O CYS A 32 5.785 6.670 27.169 1.00 0.00 ATOM 250 C CYS A 32 4.627 6.326 26.918 1.00 0.00 ATOM 251 N GLN A 33 4.227 5.051 26.918 1.00 0.00 ATOM 252 CA GLN A 33 5.142 3.982 27.273 1.00 0.00 ATOM 253 CB GLN A 33 4.142 2.644 26.870 1.00 0.00 ATOM 254 CG GLN A 33 2.656 2.882 26.976 1.00 0.00 ATOM 255 CD GLN A 33 2.231 2.980 28.425 1.00 0.00 ATOM 256 OE1 GLN A 33 2.703 2.195 29.243 1.00 0.00 ATOM 257 NE2 GLN A 33 1.359 3.937 28.755 1.00 0.00 ATOM 258 O GLN A 33 7.414 3.705 26.586 1.00 0.00 ATOM 259 C GLN A 33 6.256 3.911 26.238 1.00 0.00 ATOM 260 N LEU A 34 5.903 4.092 24.967 1.00 0.00 ATOM 261 CA LEU A 34 6.898 4.034 23.902 1.00 0.00 ATOM 262 CB LEU A 34 6.237 4.181 22.538 1.00 0.00 ATOM 263 CG LEU A 34 7.180 4.217 21.330 1.00 0.00 ATOM 264 CD1 LEU A 34 7.982 2.929 21.259 1.00 0.00 ATOM 265 CD2 LEU A 34 6.367 4.414 20.063 1.00 0.00 ATOM 266 O LEU A 34 9.097 4.978 23.921 1.00 0.00 ATOM 267 C LEU A 34 7.894 5.164 24.090 1.00 0.00 ATOM 268 N VAL A 35 7.432 6.464 24.313 1.00 0.00 ATOM 269 CA VAL A 35 8.301 7.615 24.548 1.00 0.00 ATOM 270 CB VAL A 35 7.485 8.894 24.814 1.00 0.00 ATOM 271 CG1 VAL A 35 8.401 10.032 25.233 1.00 0.00 ATOM 272 CG2 VAL A 35 6.733 9.318 23.562 1.00 0.00 ATOM 273 O VAL A 35 10.354 7.847 25.764 1.00 0.00 ATOM 274 C VAL A 35 9.218 7.386 25.748 1.00 0.00 ATOM 275 N GLN A 36 8.691 6.670 26.774 1.00 0.00 ATOM 276 CA GLN A 36 9.474 6.390 27.976 1.00 0.00 ATOM 277 CB GLN A 36 8.549 6.217 29.182 1.00 0.00 ATOM 278 CG GLN A 36 7.723 7.449 29.514 1.00 0.00 ATOM 279 CD GLN A 36 6.796 7.229 30.692 1.00 0.00 ATOM 280 OE1 GLN A 36 6.806 6.166 31.313 1.00 0.00 ATOM 281 NE2 GLN A 36 5.989 8.237 31.005 1.00 0.00 ATOM 282 O GLN A 36 11.142 4.841 28.757 1.00 0.00 ATOM 283 C GLN A 36 10.321 5.118 27.876 1.00 0.00 ATOM 284 N ASP A 37 10.127 4.346 26.812 1.00 0.00 ATOM 285 CA ASP A 37 10.851 3.092 26.631 1.00 0.00 ATOM 286 CB ASP A 37 9.957 2.163 25.743 1.00 0.00 ATOM 287 CG ASP A 37 10.533 0.757 25.667 1.00 0.00 ATOM 288 OD1 ASP A 37 11.434 0.510 24.847 1.00 0.00 ATOM 289 OD2 ASP A 37 10.114 -0.125 26.448 1.00 0.00 ATOM 290 O ASP A 37 12.592 3.665 25.069 1.00 0.00 ATOM 291 C ASP A 37 12.309 3.262 26.199 1.00 0.00 ATOM 292 N GLU A 38 13.298 3.002 27.195 1.00 0.00 ATOM 293 CA GLU A 38 14.726 3.114 26.915 1.00 0.00 ATOM 294 CB GLU A 38 15.547 2.654 28.121 1.00 0.00 ATOM 295 CG GLU A 38 15.475 3.593 29.315 1.00 0.00 ATOM 296 CD GLU A 38 16.225 3.061 30.521 1.00 0.00 ATOM 297 OE1 GLU A 38 16.746 1.929 30.445 1.00 0.00 ATOM 298 OE2 GLU A 38 16.289 3.777 31.543 1.00 0.00 ATOM 299 O GLU A 38 16.089 2.664 24.996 1.00 0.00 ATOM 300 C GLU A 38 15.181 2.273 25.726 1.00 0.00 ATOM 301 N SER A 39 14.561 1.115 25.529 1.00 0.00 ATOM 302 CA SER A 39 14.943 0.258 24.415 1.00 0.00 ATOM 303 CB SER A 39 14.263 -1.108 24.532 1.00 0.00 ATOM 304 OG SER A 39 14.719 -1.809 25.676 1.00 0.00 ATOM 305 O SER A 39 15.325 0.766 22.116 1.00 0.00 ATOM 306 C SER A 39 14.616 0.923 23.099 1.00 0.00 ATOM 307 N ILE A 40 13.486 1.641 23.069 1.00 0.00 ATOM 308 CA ILE A 40 13.093 2.318 21.850 1.00 0.00 ATOM 309 CB ILE A 40 11.678 2.866 21.916 1.00 0.00 ATOM 310 CG1 ILE A 40 10.728 1.681 22.048 1.00 0.00 ATOM 311 CG2 ILE A 40 11.334 3.699 20.680 1.00 0.00 ATOM 312 CD1 ILE A 40 9.305 2.066 22.329 1.00 0.00 ATOM 313 O ILE A 40 14.509 3.553 20.353 1.00 0.00 ATOM 314 C ILE A 40 14.086 3.425 21.503 1.00 0.00 ATOM 315 N GLU A 41 14.473 4.202 22.510 1.00 0.00 ATOM 316 CA GLU A 41 15.432 5.282 22.316 1.00 0.00 ATOM 317 CB GLU A 41 15.696 6.007 23.637 1.00 0.00 ATOM 318 CG GLU A 41 14.526 6.845 24.129 1.00 0.00 ATOM 319 CD GLU A 41 14.777 7.449 25.497 1.00 0.00 ATOM 320 OE1 GLU A 41 15.833 7.152 26.092 1.00 0.00 ATOM 321 OE2 GLU A 41 13.916 8.218 25.973 1.00 0.00 ATOM 322 O GLU A 41 17.327 5.303 20.842 1.00 0.00 ATOM 323 C GLU A 41 16.757 4.745 21.782 1.00 0.00 ATOM 324 N PHE A 42 17.254 3.678 22.389 1.00 0.00 ATOM 325 CA PHE A 42 18.513 3.077 21.957 1.00 0.00 ATOM 326 CB PHE A 42 18.838 1.844 22.804 1.00 0.00 ATOM 327 CG PHE A 42 19.188 2.165 24.230 1.00 0.00 ATOM 328 CD1 PHE A 42 19.475 3.463 24.613 1.00 0.00 ATOM 329 CD2 PHE A 42 19.229 1.168 25.189 1.00 0.00 ATOM 330 CE1 PHE A 42 19.797 3.758 25.923 1.00 0.00 ATOM 331 CE2 PHE A 42 19.552 1.463 26.500 1.00 0.00 ATOM 332 CZ PHE A 42 19.835 2.751 26.869 1.00 0.00 ATOM 333 O PHE A 42 19.344 2.948 19.705 1.00 0.00 ATOM 334 C PHE A 42 18.443 2.648 20.493 1.00 0.00 ATOM 335 N ASN A 43 17.410 1.986 20.075 1.00 0.00 ATOM 336 CA ASN A 43 17.176 1.486 18.710 1.00 0.00 ATOM 337 CB ASN A 43 16.993 2.653 17.737 1.00 0.00 ATOM 338 CG ASN A 43 16.416 2.214 16.404 1.00 0.00 ATOM 339 ND2 ASN A 43 16.671 3.000 15.364 1.00 0.00 ATOM 340 OD1 ASN A 43 15.751 1.182 16.314 1.00 0.00 ATOM 341 O ASN A 43 19.122 1.007 17.308 1.00 0.00 ATOM 342 C ASN A 43 18.383 0.645 18.242 1.00 0.00 ATOM 343 N PRO A 44 18.636 -0.443 18.949 1.00 0.00 ATOM 344 CA PRO A 44 19.912 -1.148 18.728 1.00 0.00 ATOM 345 CB PRO A 44 19.866 -2.320 19.712 1.00 0.00 ATOM 346 CG PRO A 44 18.947 -1.861 20.795 1.00 0.00 ATOM 347 CD PRO A 44 17.873 -1.058 20.118 1.00 0.00 ATOM 348 O PRO A 44 19.118 -2.261 16.749 1.00 0.00 ATOM 349 C PRO A 44 20.107 -1.700 17.327 1.00 0.00 ATOM 350 N GLU A 45 21.327 -1.571 16.820 1.00 0.00 ATOM 351 CA GLU A 45 21.726 -2.256 15.599 1.00 0.00 ATOM 352 CB GLU A 45 23.156 -1.880 15.212 1.00 0.00 ATOM 353 CG GLU A 45 23.326 -0.427 14.796 1.00 0.00 ATOM 354 CD GLU A 45 24.756 -0.092 14.421 1.00 0.00 ATOM 355 OE1 GLU A 45 25.668 -0.396 15.220 1.00 0.00 ATOM 356 OE2 GLU A 45 24.966 0.476 13.328 1.00 0.00 ATOM 357 O GLU A 45 21.180 -4.499 14.911 1.00 0.00 ATOM 358 C GLU A 45 21.646 -3.778 15.794 1.00 0.00 ATOM 359 N PHE A 46 22.064 -4.252 16.965 1.00 0.00 ATOM 360 CA PHE A 46 22.054 -5.683 17.277 1.00 0.00 ATOM 361 CB PHE A 46 22.786 -5.936 18.586 1.00 0.00 ATOM 362 CG PHE A 46 22.677 -7.357 19.094 1.00 0.00 ATOM 363 CD1 PHE A 46 23.570 -8.330 18.735 1.00 0.00 ATOM 364 CD2 PHE A 46 21.721 -7.708 20.005 1.00 0.00 ATOM 365 CE1 PHE A 46 23.465 -9.618 19.273 1.00 0.00 ATOM 366 CE2 PHE A 46 21.578 -8.972 20.476 1.00 0.00 ATOM 367 CZ PHE A 46 22.467 -9.906 20.073 1.00 0.00 ATOM 368 O PHE A 46 20.364 -7.232 16.559 1.00 0.00 ATOM 369 C PHE A 46 20.622 -6.208 17.189 1.00 0.00 ATOM 370 N LEU A 47 19.695 -5.514 17.832 1.00 0.00 ATOM 371 CA LEU A 47 18.290 -5.920 17.838 1.00 0.00 ATOM 372 CB LEU A 47 17.487 -5.003 18.781 1.00 0.00 ATOM 373 CG LEU A 47 17.842 -5.097 20.268 1.00 0.00 ATOM 374 CD1 LEU A 47 17.049 -4.059 21.048 1.00 0.00 ATOM 375 CD2 LEU A 47 17.534 -6.499 20.784 1.00 0.00 ATOM 376 O LEU A 47 17.021 -6.818 16.007 1.00 0.00 ATOM 377 C LEU A 47 17.692 -5.878 16.434 1.00 0.00 ATOM 378 N LEU A 48 17.935 -4.780 15.724 1.00 0.00 ATOM 379 CA LEU A 48 17.391 -4.609 14.380 1.00 0.00 ATOM 380 CB LEU A 48 17.862 -3.284 13.777 1.00 0.00 ATOM 381 CG LEU A 48 17.275 -2.013 14.394 1.00 0.00 ATOM 382 CD1 LEU A 48 17.965 -0.776 13.836 1.00 0.00 ATOM 383 CD2 LEU A 48 15.789 -1.905 14.090 1.00 0.00 ATOM 384 O LEU A 48 17.009 -6.364 12.790 1.00 0.00 ATOM 385 C LEU A 48 17.832 -5.724 13.447 1.00 0.00 ATOM 386 N ASN A 49 19.135 -5.958 13.393 1.00 0.00 ATOM 387 CA ASN A 49 19.656 -6.986 12.506 1.00 0.00 ATOM 388 CB ASN A 49 21.185 -6.945 12.478 1.00 0.00 ATOM 389 CG ASN A 49 21.722 -5.750 11.717 1.00 0.00 ATOM 390 ND2 ASN A 49 22.972 -5.388 11.989 1.00 0.00 ATOM 391 OD1 ASN A 49 21.021 -5.159 10.896 1.00 0.00 ATOM 392 O ASN A 49 19.019 -9.232 11.986 1.00 0.00 ATOM 393 C ASN A 49 19.224 -8.396 12.867 1.00 0.00 ATOM 394 N ILE A 50 19.058 -8.656 14.155 1.00 0.00 ATOM 395 CA ILE A 50 18.588 -9.959 14.604 1.00 0.00 ATOM 396 CB ILE A 50 18.637 -10.038 16.140 1.00 0.00 ATOM 397 CG1 ILE A 50 20.107 -10.002 16.593 1.00 0.00 ATOM 398 CG2 ILE A 50 17.958 -11.320 16.637 1.00 0.00 ATOM 399 CD1 ILE A 50 20.296 -9.922 18.095 1.00 0.00 ATOM 400 O ILE A 50 16.895 -11.339 13.602 1.00 0.00 ATOM 401 C ILE A 50 17.171 -10.247 14.096 1.00 0.00 ATOM 402 N VAL A 51 16.285 -9.260 14.189 1.00 0.00 ATOM 403 CA VAL A 51 14.913 -9.435 13.708 1.00 0.00 ATOM 404 CB VAL A 51 14.055 -8.186 13.983 1.00 0.00 ATOM 405 CG1 VAL A 51 12.700 -8.311 13.302 1.00 0.00 ATOM 406 CG2 VAL A 51 13.828 -8.013 15.477 1.00 0.00 ATOM 407 O VAL A 51 14.207 -10.670 11.760 1.00 0.00 ATOM 408 C VAL A 51 14.920 -9.772 12.214 1.00 0.00 ATOM 409 N ASP A 52 15.729 -9.047 11.436 1.00 0.00 ATOM 410 CA ASP A 52 15.807 -9.261 9.997 1.00 0.00 ATOM 411 CB ASP A 52 16.669 -8.188 9.328 1.00 0.00 ATOM 412 CG ASP A 52 15.997 -6.829 9.309 1.00 0.00 ATOM 413 OD1 ASP A 52 14.780 -6.764 9.581 1.00 0.00 ATOM 414 OD2 ASP A 52 16.688 -5.829 9.022 1.00 0.00 ATOM 415 O ASP A 52 16.279 -11.005 8.440 1.00 0.00 ATOM 416 C ASP A 52 16.389 -10.601 9.595 1.00 0.00 ATOM 417 N ARG A 53 17.041 -11.285 10.528 1.00 0.00 ATOM 418 CA ARG A 53 17.576 -12.604 10.228 1.00 0.00 ATOM 419 CB ARG A 53 19.124 -12.488 10.139 1.00 0.00 ATOM 420 CG ARG A 53 19.647 -11.590 9.040 1.00 0.00 ATOM 421 CD ARG A 53 21.083 -11.179 9.325 1.00 0.00 ATOM 422 NE ARG A 53 21.951 -12.333 9.541 1.00 0.00 ATOM 423 CZ ARG A 53 22.301 -13.197 8.593 1.00 0.00 ATOM 424 NH1 ARG A 53 21.860 -13.040 7.349 1.00 0.00 ATOM 425 NH2 ARG A 53 23.089 -14.222 8.890 1.00 0.00 ATOM 426 O ARG A 53 17.594 -14.886 10.911 1.00 0.00 ATOM 427 C ARG A 53 16.954 -13.834 10.890 1.00 0.00 ATOM 428 N VAL A 54 15.760 -13.694 11.404 1.00 0.00 ATOM 429 CA VAL A 54 15.102 -14.795 12.105 1.00 0.00 ATOM 430 CB VAL A 54 14.961 -14.664 13.633 1.00 0.00 ATOM 431 CG1 VAL A 54 16.332 -14.607 14.291 1.00 0.00 ATOM 432 CG2 VAL A 54 14.204 -13.395 13.991 1.00 0.00 ATOM 433 O VAL A 54 13.094 -14.321 10.844 1.00 0.00 ATOM 434 C VAL A 54 13.669 -15.069 11.638 1.00 0.00 ATOM 435 N ASP A 55 13.114 -16.163 12.147 1.00 0.00 ATOM 436 CA ASP A 55 11.759 -16.577 11.807 1.00 0.00 ATOM 437 CB ASP A 55 11.751 -18.025 11.306 1.00 0.00 ATOM 438 CG ASP A 55 12.587 -18.213 10.057 1.00 0.00 ATOM 439 OD1 ASP A 55 12.326 -17.510 9.057 1.00 0.00 ATOM 440 OD2 ASP A 55 13.501 -19.063 10.075 1.00 0.00 ATOM 441 O ASP A 55 9.635 -16.190 12.834 1.00 0.00 ATOM 442 C ASP A 55 10.814 -16.502 12.996 1.00 0.00 ATOM 443 N TRP A 56 11.350 -16.803 14.197 1.00 0.00 ATOM 444 CA TRP A 56 10.502 -16.776 15.382 1.00 0.00 ATOM 445 CB TRP A 56 10.332 -18.186 15.952 1.00 0.00 ATOM 446 CG TRP A 56 9.589 -19.115 15.042 1.00 0.00 ATOM 447 CD1 TRP A 56 10.116 -19.880 14.042 1.00 0.00 ATOM 448 CD2 TRP A 56 8.179 -19.377 15.049 1.00 0.00 ATOM 449 CE2 TRP A 56 7.925 -20.312 14.025 1.00 0.00 ATOM 450 CE3 TRP A 56 7.110 -18.914 15.819 1.00 0.00 ATOM 451 NE1 TRP A 56 9.124 -20.603 13.424 1.00 0.00 ATOM 452 CZ2 TRP A 56 6.645 -20.791 13.755 1.00 0.00 ATOM 453 CZ3 TRP A 56 5.841 -19.392 15.546 1.00 0.00 ATOM 454 CH2 TRP A 56 5.617 -20.320 14.524 1.00 0.00 ATOM 455 O TRP A 56 12.319 -15.874 16.669 1.00 0.00 ATOM 456 C TRP A 56 11.099 -15.898 16.470 1.00 0.00 ATOM 457 N PRO A 57 10.212 -15.191 17.176 1.00 0.00 ATOM 458 CA PRO A 57 10.656 -14.319 18.267 1.00 0.00 ATOM 459 CB PRO A 57 9.359 -13.711 18.807 1.00 0.00 ATOM 460 CG PRO A 57 8.421 -13.745 17.648 1.00 0.00 ATOM 461 CD PRO A 57 8.719 -15.017 16.906 1.00 0.00 ATOM 462 O PRO A 57 12.328 -14.619 19.976 1.00 0.00 ATOM 463 C PRO A 57 11.402 -15.120 19.344 1.00 0.00 ATOM 464 N ALA A 58 10.986 -16.367 19.551 1.00 0.00 ATOM 465 CA ALA A 58 11.636 -17.227 20.544 1.00 0.00 ATOM 466 CB ALA A 58 10.906 -18.557 20.649 1.00 0.00 ATOM 467 O ALA A 58 14.005 -17.379 20.944 1.00 0.00 ATOM 468 C ALA A 58 13.081 -17.480 20.130 1.00 0.00 ATOM 469 N VAL A 59 13.276 -17.819 18.860 1.00 0.00 ATOM 470 CA VAL A 59 14.610 -18.072 18.342 1.00 0.00 ATOM 471 CB VAL A 59 14.553 -18.731 16.948 1.00 0.00 ATOM 472 CG1 VAL A 59 15.960 -18.885 16.392 1.00 0.00 ATOM 473 CG2 VAL A 59 13.881 -20.091 17.042 1.00 0.00 ATOM 474 O VAL A 59 16.517 -16.733 18.696 1.00 0.00 ATOM 475 C VAL A 59 15.405 -16.724 18.358 1.00 0.00 ATOM 476 N LEU A 60 14.801 -15.636 17.884 1.00 0.00 ATOM 477 CA LEU A 60 15.500 -14.346 17.836 1.00 0.00 ATOM 478 CB LEU A 60 14.561 -13.244 17.341 1.00 0.00 ATOM 479 CG LEU A 60 15.144 -11.831 17.285 1.00 0.00 ATOM 480 CD1 LEU A 60 16.320 -11.772 16.321 1.00 0.00 ATOM 481 CD2 LEU A 60 14.096 -10.834 16.816 1.00 0.00 ATOM 482 O LEU A 60 17.086 -13.447 19.430 1.00 0.00 ATOM 483 C LEU A 60 15.962 -13.943 19.237 1.00 0.00 ATOM 484 N THR A 61 15.077 -14.147 20.237 1.00 0.00 ATOM 485 CA THR A 61 15.408 -13.810 21.617 1.00 0.00 ATOM 486 CB THR A 61 14.236 -14.178 22.545 1.00 0.00 ATOM 487 CG2 THR A 61 14.587 -13.871 23.993 1.00 0.00 ATOM 488 OG1 THR A 61 13.076 -13.420 22.179 1.00 0.00 ATOM 489 O THR A 61 17.529 -14.023 22.745 1.00 0.00 ATOM 490 C THR A 61 16.652 -14.575 22.077 1.00 0.00 ATOM 491 N VAL A 62 16.711 -15.851 21.714 1.00 0.00 ATOM 492 CA VAL A 62 17.846 -16.697 22.069 1.00 0.00 ATOM 493 CB VAL A 62 17.603 -18.164 21.668 1.00 0.00 ATOM 494 CG1 VAL A 62 18.862 -18.990 21.883 1.00 0.00 ATOM 495 CG2 VAL A 62 16.484 -18.766 22.504 1.00 0.00 ATOM 496 O VAL A 62 20.197 -16.160 21.975 1.00 0.00 ATOM 497 C VAL A 62 19.125 -16.221 21.367 1.00 0.00 ATOM 498 N ALA A 63 19.005 -15.871 20.089 1.00 0.00 ATOM 499 CA ALA A 63 20.147 -15.395 19.319 1.00 0.00 ATOM 500 CB ALA A 63 19.734 -15.094 17.887 1.00 0.00 ATOM 501 O ALA A 63 21.916 -13.990 20.129 1.00 0.00 ATOM 502 C ALA A 63 20.692 -14.115 19.958 1.00 0.00 ATOM 503 N ALA A 64 19.799 -13.246 20.389 1.00 0.00 ATOM 504 CA ALA A 64 20.255 -12.013 20.984 1.00 0.00 ATOM 505 CB ALA A 64 19.054 -11.138 21.303 1.00 0.00 ATOM 506 O ALA A 64 22.129 -11.736 22.467 1.00 0.00 ATOM 507 C ALA A 64 21.038 -12.270 22.281 1.00 0.00 ATOM 508 N GLU A 65 20.478 -13.090 23.165 1.00 0.00 ATOM 509 CA GLU A 65 21.125 -13.405 24.437 1.00 0.00 ATOM 510 CB GLU A 65 20.211 -14.277 25.300 1.00 0.00 ATOM 511 CG GLU A 65 18.981 -13.555 25.828 1.00 0.00 ATOM 512 CD GLU A 65 18.064 -14.469 26.617 1.00 0.00 ATOM 513 OE1 GLU A 65 18.370 -15.675 26.719 1.00 0.00 ATOM 514 OE2 GLU A 65 17.040 -13.977 27.136 1.00 0.00 ATOM 515 O GLU A 65 23.313 -14.121 25.124 1.00 0.00 ATOM 516 C GLU A 65 22.445 -14.161 24.249 1.00 0.00 ATOM 517 N LEU A 66 22.590 -14.844 23.115 1.00 0.00 ATOM 518 CA LEU A 66 23.810 -15.592 22.806 1.00 0.00 ATOM 519 CB LEU A 66 23.478 -16.841 21.987 1.00 0.00 ATOM 520 CG LEU A 66 22.583 -17.880 22.666 1.00 0.00 ATOM 521 CD1 LEU A 66 22.252 -19.015 21.710 1.00 0.00 ATOM 522 CD2 LEU A 66 23.274 -18.470 23.886 1.00 0.00 ATOM 523 O LEU A 66 25.931 -15.005 21.910 1.00 0.00 ATOM 524 C LEU A 66 24.790 -14.648 22.118 1.00 0.00 ATOM 525 N GLY A 67 24.317 -13.432 21.766 1.00 0.00 ATOM 526 CA GLY A 67 25.164 -12.468 21.080 1.00 0.00 ATOM 527 O GLY A 67 26.697 -12.597 19.256 1.00 0.00 ATOM 528 C GLY A 67 25.603 -12.935 19.702 1.00 0.00 ATOM 529 N ASN A 68 24.753 -13.696 19.023 1.00 0.00 ATOM 530 CA ASN A 68 25.095 -14.213 17.699 1.00 0.00 ATOM 531 CB ASN A 68 23.990 -15.135 17.180 1.00 0.00 ATOM 532 CG ASN A 68 23.976 -16.478 17.883 1.00 0.00 ATOM 533 ND2 ASN A 68 22.846 -17.172 17.807 1.00 0.00 ATOM 534 OD1 ASN A 68 24.970 -16.886 18.483 1.00 0.00 ATOM 535 O ASN A 68 26.190 -13.149 15.838 1.00 0.00 ATOM 536 C ASN A 68 25.298 -13.081 16.675 1.00 0.00 ATOM 537 N ASN A 69 24.453 -12.088 16.688 1.00 0.00 ATOM 538 CA ASN A 69 24.576 -11.001 15.751 1.00 0.00 ATOM 539 CB ASN A 69 23.573 -9.933 15.905 1.00 0.00 ATOM 540 CG ASN A 69 23.545 -9.021 14.700 1.00 0.00 ATOM 541 ND2 ASN A 69 23.752 -7.727 14.918 1.00 0.00 ATOM 542 OD1 ASN A 69 23.349 -9.485 13.574 1.00 0.00 ATOM 543 O ASN A 69 26.531 -9.845 14.980 1.00 0.00 ATOM 544 C ASN A 69 25.862 -10.207 15.949 1.00 0.00 ATOM 545 N ALA A 70 26.214 -9.942 17.201 1.00 0.00 ATOM 546 CA ALA A 70 27.440 -9.209 17.479 1.00 0.00 ATOM 547 CB ALA A 70 27.588 -8.968 18.973 1.00 0.00 ATOM 548 O ALA A 70 29.556 -9.542 16.369 1.00 0.00 ATOM 549 C ALA A 70 28.606 -10.057 16.965 1.00 0.00 ATOM 550 N LEU A 71 28.540 -11.357 17.233 1.00 0.00 ATOM 551 CA LEU A 71 29.608 -12.267 16.836 1.00 0.00 ATOM 552 CB LEU A 71 29.254 -13.706 17.219 1.00 0.00 ATOM 553 CG LEU A 71 30.281 -14.778 16.847 1.00 0.00 ATOM 554 CD1 LEU A 71 31.604 -14.524 17.554 1.00 0.00 ATOM 555 CD2 LEU A 71 29.785 -16.159 17.247 1.00 0.00 ATOM 556 O LEU A 71 30.966 -12.003 14.875 1.00 0.00 ATOM 557 C LEU A 71 29.840 -12.214 15.334 1.00 0.00 ATOM 558 N PRO A 72 28.773 -12.365 14.559 1.00 0.00 ATOM 559 CA PRO A 72 28.900 -12.328 13.111 1.00 0.00 ATOM 560 CB PRO A 72 27.494 -12.701 12.615 1.00 0.00 ATOM 561 CG PRO A 72 26.903 -13.473 13.667 1.00 0.00 ATOM 562 CD PRO A 72 27.416 -12.891 14.982 1.00 0.00 ATOM 563 O PRO A 72 30.238 -10.915 11.823 1.00 0.00 ATOM 564 C PRO A 72 29.384 -10.919 12.689 1.00 0.00 ATOM 565 N PRO A 73 28.883 -9.744 13.268 1.00 0.00 ATOM 566 CA PRO A 73 29.406 -8.406 12.929 1.00 0.00 ATOM 567 CB PRO A 73 28.434 -7.499 13.750 1.00 0.00 ATOM 568 CG PRO A 73 27.167 -8.279 13.747 1.00 0.00 ATOM 569 CD PRO A 73 27.645 -9.705 13.993 1.00 0.00 ATOM 570 O PRO A 73 31.513 -7.297 12.631 1.00 0.00 ATOM 571 C PRO A 73 30.888 -8.176 13.224 1.00 0.00 ATOM 572 N THR A 74 31.455 -8.966 14.130 1.00 0.00 ATOM 573 CA THR A 74 32.865 -8.806 14.465 1.00 0.00 ATOM 574 CB THR A 74 33.131 -9.126 15.949 1.00 0.00 ATOM 575 CG2 THR A 74 32.338 -8.188 16.846 1.00 0.00 ATOM 576 OG1 THR A 74 32.740 -10.476 16.228 1.00 0.00 ATOM 577 O THR A 74 34.995 -9.828 14.031 1.00 0.00 ATOM 578 C THR A 74 33.822 -9.703 13.675 1.00 0.00 ATOM 579 N LYS A 75 33.321 -10.351 12.626 1.00 0.00 ATOM 580 CA LYS A 75 34.164 -11.216 11.805 1.00 0.00 ATOM 581 CB LYS A 75 33.436 -11.611 10.519 1.00 0.00 ATOM 582 CG LYS A 75 34.217 -12.566 9.632 1.00 0.00 ATOM 583 CD LYS A 75 33.411 -12.967 8.407 1.00 0.00 ATOM 584 CE LYS A 75 34.208 -13.887 7.497 1.00 0.00 ATOM 585 NZ LYS A 75 33.417 -14.316 6.311 1.00 0.00 ATOM 586 O LYS A 75 35.415 -9.345 11.061 1.00 0.00 ATOM 587 C LYS A 75 35.427 -10.459 11.530 1.00 0.00 ATOM 588 N PRO A 76 36.632 -11.121 11.711 1.00 0.00 ATOM 589 CA PRO A 76 37.884 -10.416 11.511 1.00 0.00 ATOM 590 CB PRO A 76 38.917 -11.501 11.835 1.00 0.00 ATOM 591 CG PRO A 76 38.199 -12.359 12.822 1.00 0.00 ATOM 592 CD PRO A 76 36.833 -12.449 12.327 1.00 0.00 ATOM 593 O PRO A 76 37.924 -8.395 10.229 1.00 0.00 ATOM 594 C PRO A 76 37.912 -9.627 10.205 1.00 0.00 ATOM 595 N SER A 77 37.909 -10.313 9.049 1.00 0.00 ATOM 596 CA SER A 77 37.927 -9.500 7.828 1.00 0.00 ATOM 597 CB SER A 77 38.140 -10.384 6.597 1.00 0.00 ATOM 598 OG SER A 77 38.081 -9.621 5.405 1.00 0.00 ATOM 599 O SER A 77 35.543 -9.466 7.593 1.00 0.00 ATOM 600 C SER A 77 36.569 -8.804 7.741 1.00 0.00 ATOM 601 N PHE A 78 36.530 -7.472 7.809 1.00 0.00 ATOM 602 CA PHE A 78 35.260 -6.742 7.737 1.00 0.00 ATOM 603 CB PHE A 78 34.484 -7.302 9.145 1.00 0.00 ATOM 604 CG PHE A 78 34.821 -6.330 10.238 1.00 0.00 ATOM 605 CD1 PHE A 78 33.951 -5.289 10.555 1.00 0.00 ATOM 606 CD2 PHE A 78 35.997 -6.470 10.977 1.00 0.00 ATOM 607 CE1 PHE A 78 34.242 -4.404 11.592 1.00 0.00 ATOM 608 CE2 PHE A 78 36.297 -5.589 12.014 1.00 0.00 ATOM 609 CZ PHE A 78 35.416 -4.553 12.323 1.00 0.00 ATOM 610 O PHE A 78 35.253 -4.348 7.507 1.00 0.00 ATOM 611 C PHE A 78 35.022 -5.426 6.982 1.00 0.00 ATOM 612 N PRO A 79 34.437 -5.455 5.875 1.00 0.00 ATOM 613 CA PRO A 79 34.189 -4.245 5.085 1.00 0.00 ATOM 614 CB PRO A 79 34.140 -4.780 3.647 1.00 0.00 ATOM 615 CG PRO A 79 33.506 -6.101 3.813 1.00 0.00 ATOM 616 CD PRO A 79 34.221 -6.668 5.066 1.00 0.00 ATOM 617 O PRO A 79 32.006 -4.066 6.066 1.00 0.00 ATOM 618 C PRO A 79 32.923 -3.508 5.405 1.00 0.00 ATOM 619 N SER A 80 32.908 -2.164 5.003 1.00 0.00 ATOM 620 CA SER A 80 31.743 -1.336 5.324 1.00 0.00 ATOM 621 CB SER A 80 31.954 -0.394 6.511 1.00 0.00 ATOM 622 OG SER A 80 33.026 0.501 6.267 1.00 0.00 ATOM 623 O SER A 80 32.393 -0.056 3.413 1.00 0.00 ATOM 624 C SER A 80 31.463 -0.519 4.067 1.00 0.00 ATOM 625 N SER A 81 30.190 -0.348 3.726 1.00 0.00 ATOM 626 CA SER A 81 29.813 0.406 2.533 1.00 0.00 ATOM 627 CB SER A 81 29.328 -0.517 1.413 1.00 0.00 ATOM 628 OG SER A 81 28.911 0.228 0.282 1.00 0.00 ATOM 629 O SER A 81 27.710 0.907 3.605 1.00 0.00 ATOM 630 C SER A 81 28.671 1.334 2.965 1.00 0.00 ATOM 631 N ILE A 82 28.783 2.610 2.644 1.00 0.00 ATOM 632 CA ILE A 82 27.743 3.579 2.982 1.00 0.00 ATOM 633 CB ILE A 82 28.106 4.993 2.491 1.00 0.00 ATOM 634 CG1 ILE A 82 29.304 5.537 3.270 1.00 0.00 ATOM 635 CG2 ILE A 82 26.933 5.942 2.684 1.00 0.00 ATOM 636 CD1 ILE A 82 29.894 6.799 2.680 1.00 0.00 ATOM 637 O ILE A 82 25.341 3.407 2.925 1.00 0.00 ATOM 638 C ILE A 82 26.404 3.191 2.340 1.00 0.00 ATOM 639 N GLN A 83 26.473 2.702 0.999 1.00 0.00 ATOM 640 CA GLN A 83 25.263 2.258 0.327 1.00 0.00 ATOM 641 CB GLN A 83 25.182 2.853 -1.080 1.00 0.00 ATOM 642 CG GLN A 83 23.910 2.494 -1.834 1.00 0.00 ATOM 643 CD GLN A 83 23.832 3.163 -3.192 1.00 0.00 ATOM 644 OE1 GLN A 83 24.757 3.862 -3.607 1.00 0.00 ATOM 645 NE2 GLN A 83 22.721 2.951 -3.889 1.00 0.00 ATOM 646 O GLN A 83 26.211 0.160 -0.317 1.00 0.00 ATOM 647 C GLN A 83 25.287 0.747 0.231 1.00 0.00 ATOM 648 N GLU A 84 24.266 0.116 0.788 1.00 0.00 ATOM 649 CA GLU A 84 24.222 -1.328 0.769 1.00 0.00 ATOM 650 CB GLU A 84 23.032 -1.838 1.583 1.00 0.00 ATOM 651 CG GLU A 84 22.998 -3.348 1.755 1.00 0.00 ATOM 652 CD GLU A 84 21.910 -3.802 2.709 1.00 0.00 ATOM 653 OE1 GLU A 84 21.935 -3.376 3.883 1.00 0.00 ATOM 654 OE2 GLU A 84 21.034 -4.583 2.284 1.00 0.00 ATOM 655 O GLU A 84 23.008 -1.735 -1.229 1.00 0.00 ATOM 656 C GLU A 84 24.044 -1.949 -0.607 1.00 0.00 ATOM 657 N LEU A 85 25.144 -2.653 -1.094 1.00 0.00 ATOM 658 CA LEU A 85 25.059 -3.318 -2.399 1.00 0.00 ATOM 659 CB LEU A 85 26.466 -3.548 -2.952 1.00 0.00 ATOM 660 CG LEU A 85 27.347 -2.305 -3.101 1.00 0.00 ATOM 661 CD1 LEU A 85 28.737 -2.688 -3.585 1.00 0.00 ATOM 662 CD2 LEU A 85 26.744 -1.337 -4.106 1.00 0.00 ATOM 663 O LEU A 85 24.031 -5.053 -1.127 1.00 0.00 ATOM 664 C LEU A 85 24.278 -4.600 -2.243 1.00 0.00 ATOM 665 N THR A 86 23.950 -5.030 -3.284 1.00 0.00 ATOM 666 CA THR A 86 23.224 -6.258 -3.260 1.00 0.00 ATOM 667 CB THR A 86 22.811 -6.732 -4.665 1.00 0.00 ATOM 668 CG2 THR A 86 21.905 -5.708 -5.329 1.00 0.00 ATOM 669 OG1 THR A 86 23.981 -6.910 -5.474 1.00 0.00 ATOM 670 O THR A 86 23.417 -8.354 -2.233 1.00 0.00 ATOM 671 C THR A 86 23.985 -7.350 -2.748 1.00 0.00 ATOM 672 N ASP A 87 25.300 -7.449 -2.852 1.00 0.00 ATOM 673 CA ASP A 87 26.108 -8.597 -2.353 1.00 0.00 ATOM 674 CB ASP A 87 27.382 -8.784 -3.178 1.00 0.00 ATOM 675 CG ASP A 87 28.314 -7.593 -3.091 1.00 0.00 ATOM 676 OD1 ASP A 87 27.979 -6.628 -2.371 1.00 0.00 ATOM 677 OD2 ASP A 87 29.380 -7.622 -3.742 1.00 0.00 ATOM 678 O ASP A 87 27.375 -9.218 -0.398 1.00 0.00 ATOM 679 C ASP A 87 26.575 -8.419 -0.902 1.00 0.00 ATOM 680 N ASP A 88 26.095 -7.382 -0.220 1.00 0.00 ATOM 681 CA ASP A 88 26.499 -7.163 1.164 1.00 0.00 ATOM 682 CB ASP A 88 26.924 -5.708 1.376 1.00 0.00 ATOM 683 CG ASP A 88 28.155 -5.339 0.573 1.00 0.00 ATOM 684 OD1 ASP A 88 29.164 -6.069 0.663 1.00 0.00 ATOM 685 OD2 ASP A 88 28.112 -4.318 -0.145 1.00 0.00 ATOM 686 O ASP A 88 24.225 -7.101 1.971 1.00 0.00 ATOM 687 C ASP A 88 25.389 -7.454 2.181 1.00 0.00 ATOM 688 N ASP A 89 25.761 -8.096 3.288 1.00 0.00 ATOM 689 CA ASP A 89 24.803 -8.400 4.351 1.00 0.00 ATOM 690 CB ASP A 89 25.321 -9.542 5.227 1.00 0.00 ATOM 691 CG ASP A 89 25.271 -10.886 4.527 1.00 0.00 ATOM 692 OD1 ASP A 89 24.629 -10.973 3.459 1.00 0.00 ATOM 693 OD2 ASP A 89 25.874 -11.848 5.045 1.00 0.00 ATOM 694 O ASP A 89 25.573 -6.461 5.514 1.00 0.00 ATOM 695 C ASP A 89 24.607 -7.131 5.171 1.00 0.00 ATOM 696 N MET A 90 23.280 -6.816 5.489 1.00 0.00 ATOM 697 CA MET A 90 22.963 -5.622 6.262 1.00 0.00 ATOM 698 CB MET A 90 21.472 -5.638 6.608 1.00 0.00 ATOM 699 CG MET A 90 20.556 -5.408 5.418 1.00 0.00 ATOM 700 SD MET A 90 18.814 -5.605 5.833 1.00 0.00 ATOM 701 CE MET A 90 18.585 -4.252 6.985 1.00 0.00 ATOM 702 O MET A 90 24.204 -4.413 7.925 1.00 0.00 ATOM 703 C MET A 90 23.697 -5.484 7.600 1.00 0.00 ATOM 704 N ALA A 91 23.756 -6.567 8.367 1.00 0.00 ATOM 705 CA ALA A 91 24.385 -6.538 9.677 1.00 0.00 ATOM 706 CB ALA A 91 24.179 -7.863 10.395 1.00 0.00 ATOM 707 O ALA A 91 26.430 -5.670 10.562 1.00 0.00 ATOM 708 C ALA A 91 25.884 -6.279 9.647 1.00 0.00 ATOM 709 N ILE A 92 26.564 -6.750 8.612 1.00 0.00 ATOM 710 CA ILE A 92 27.994 -6.502 8.527 1.00 0.00 ATOM 711 CB ILE A 92 28.625 -7.248 7.336 1.00 0.00 ATOM 712 CG1 ILE A 92 28.564 -8.760 7.561 1.00 0.00 ATOM 713 CG2 ILE A 92 30.081 -6.845 7.166 1.00 0.00 ATOM 714 CD1 ILE A 92 28.917 -9.574 6.336 1.00 0.00 ATOM 715 O ILE A 92 29.149 -4.429 8.972 1.00 0.00 ATOM 716 C ILE A 92 28.241 -5.007 8.357 1.00 0.00 ATOM 717 N LEU A 93 27.441 -4.398 7.523 1.00 0.00 ATOM 718 CA LEU A 93 27.573 -2.984 7.263 1.00 0.00 ATOM 719 CB LEU A 93 26.644 -2.560 6.124 1.00 0.00 ATOM 720 CG LEU A 93 27.000 -3.081 4.729 1.00 0.00 ATOM 721 CD1 LEU A 93 25.906 -2.738 3.732 1.00 0.00 ATOM 722 CD2 LEU A 93 28.302 -2.463 4.240 1.00 0.00 ATOM 723 O LEU A 93 27.928 -1.144 8.770 1.00 0.00 ATOM 724 C LEU A 93 27.280 -2.172 8.521 1.00 0.00 ATOM 725 N ASN A 94 26.327 -2.629 9.325 1.00 0.00 ATOM 726 CA ASN A 94 25.947 -1.917 10.547 1.00 0.00 ATOM 727 CB ASN A 94 24.728 -2.539 11.203 1.00 0.00 ATOM 728 CG ASN A 94 23.440 -2.079 10.550 1.00 0.00 ATOM 729 ND2 ASN A 94 22.536 -3.015 10.278 1.00 0.00 ATOM 730 OD1 ASN A 94 23.256 -0.883 10.301 1.00 0.00 ATOM 731 O ASN A 94 27.362 -0.936 12.228 1.00 0.00 ATOM 732 C ASN A 94 27.071 -1.948 11.571 1.00 0.00 ATOM 733 N ASP A 95 27.745 -3.094 11.657 1.00 0.00 ATOM 734 CA ASP A 95 28.867 -3.256 12.572 1.00 0.00 ATOM 735 CB ASP A 95 29.331 -4.713 12.598 1.00 0.00 ATOM 736 CG ASP A 95 30.424 -4.960 13.620 1.00 0.00 ATOM 737 OD1 ASP A 95 30.166 -4.757 14.825 1.00 0.00 ATOM 738 OD2 ASP A 95 31.538 -5.354 13.217 1.00 0.00 ATOM 739 O ASP A 95 30.744 -1.795 12.925 1.00 0.00 ATOM 740 C ASP A 95 30.031 -2.373 12.109 1.00 0.00 ATOM 741 N LEU A 96 30.228 -2.282 10.798 1.00 0.00 ATOM 742 CA LEU A 96 31.304 -1.455 10.256 1.00 0.00 ATOM 743 CB LEU A 96 31.481 -1.677 8.775 1.00 0.00 ATOM 744 CG LEU A 96 32.586 -2.655 8.374 1.00 0.00 ATOM 745 CD1 LEU A 96 33.942 -2.049 8.719 1.00 0.00 ATOM 746 CD2 LEU A 96 32.399 -3.990 9.077 1.00 0.00 ATOM 747 O LEU A 96 32.016 0.786 10.731 1.00 0.00 ATOM 748 C LEU A 96 31.067 0.014 10.595 1.00 0.00 ATOM 749 N HIS A 97 29.787 0.434 10.754 1.00 0.00 ATOM 750 CA HIS A 97 29.488 1.811 11.129 1.00 0.00 ATOM 751 CB HIS A 97 27.958 2.069 10.925 1.00 0.00 ATOM 752 CG HIS A 97 27.558 2.538 9.544 1.00 0.00 ATOM 753 CD2 HIS A 97 27.067 1.864 8.481 1.00 0.00 ATOM 754 ND1 HIS A 97 27.564 3.868 9.165 1.00 0.00 ATOM 755 CE1 HIS A 97 27.085 3.975 7.930 1.00 0.00 ATOM 756 NE2 HIS A 97 26.776 2.767 7.503 1.00 0.00 ATOM 757 O HIS A 97 30.463 3.178 12.877 1.00 0.00 ATOM 758 C HIS A 97 29.975 2.079 12.567 1.00 0.00 ATOM 759 N THR A 98 29.887 1.059 13.422 1.00 0.00 ATOM 760 CA THR A 98 30.350 1.181 14.795 1.00 0.00 ATOM 761 CB THR A 98 29.995 -0.067 15.625 1.00 0.00 ATOM 762 CG2 THR A 98 30.525 0.068 17.043 1.00 0.00 ATOM 763 OG1 THR A 98 28.571 -0.222 15.672 1.00 0.00 ATOM 764 O THR A 98 32.407 2.084 15.694 1.00 0.00 ATOM 765 C THR A 98 31.865 1.354 14.843 1.00 0.00 ATOM 766 N LEU A 99 32.568 0.680 13.965 1.00 0.00 ATOM 767 CA LEU A 99 34.021 0.797 13.863 1.00 0.00 ATOM 768 CB LEU A 99 34.567 -0.184 12.823 1.00 0.00 ATOM 769 CG LEU A 99 36.083 -0.184 12.620 1.00 0.00 ATOM 770 CD1 LEU A 99 36.797 -0.565 13.908 1.00 0.00 ATOM 771 CD2 LEU A 99 36.482 -1.179 11.542 1.00 0.00 ATOM 772 O LEU A 99 35.312 2.846 13.961 1.00 0.00 ATOM 773 C LEU A 99 34.376 2.241 13.439 1.00 0.00 ATOM 774 N LEU A 100 33.612 2.770 12.495 1.00 0.00 ATOM 775 CA LEU A 100 33.816 4.151 12.065 1.00 0.00 ATOM 776 CB LEU A 100 32.787 4.539 11.001 1.00 0.00 ATOM 777 CG LEU A 100 32.944 3.876 9.631 1.00 0.00 ATOM 778 CD1 LEU A 100 31.757 4.199 8.738 1.00 0.00 ATOM 779 CD2 LEU A 100 34.206 4.366 8.939 1.00 0.00 ATOM 780 O LEU A 100 34.490 6.027 13.427 1.00 0.00 ATOM 781 C LEU A 100 33.666 5.118 13.228 1.00 0.00 ATOM 782 N LEU A 101 32.572 4.952 13.960 1.00 0.00 ATOM 783 CA LEU A 101 32.276 5.818 15.084 1.00 0.00 ATOM 784 CB LEU A 101 30.882 5.446 15.644 1.00 0.00 ATOM 785 CG LEU A 101 29.677 5.964 14.831 1.00 0.00 ATOM 786 CD1 LEU A 101 28.436 5.210 15.211 1.00 0.00 ATOM 787 CD2 LEU A 101 29.511 7.469 15.055 1.00 0.00 ATOM 788 O LEU A 101 33.659 6.746 16.791 1.00 0.00 ATOM 789 C LEU A 101 33.266 5.727 16.229 1.00 0.00 ATOM 790 N GLN A 102 33.677 4.514 16.577 1.00 0.00 ATOM 791 CA GLN A 102 34.629 4.333 17.665 1.00 0.00 ATOM 792 CB GLN A 102 34.792 2.847 17.993 1.00 0.00 ATOM 793 CG GLN A 102 33.563 2.211 18.622 1.00 0.00 ATOM 794 CD GLN A 102 33.752 0.735 18.907 1.00 0.00 ATOM 795 OE1 GLN A 102 34.823 0.178 18.665 1.00 0.00 ATOM 796 NE2 GLN A 102 32.709 0.094 19.423 1.00 0.00 ATOM 797 O GLN A 102 36.843 5.172 18.110 1.00 0.00 ATOM 798 C GLN A 102 35.999 4.905 17.259 1.00 0.00 ATOM 799 N THR A 103 36.218 5.095 15.961 1.00 0.00 ATOM 800 CA THR A 103 37.484 5.664 15.506 1.00 0.00 ATOM 801 CB THR A 103 37.915 5.069 14.153 1.00 0.00 ATOM 802 CG2 THR A 103 38.074 3.560 14.260 1.00 0.00 ATOM 803 OG1 THR A 103 36.923 5.362 13.161 1.00 0.00 ATOM 804 O THR A 103 38.447 7.759 14.903 1.00 0.00 ATOM 805 C THR A 103 37.447 7.173 15.311 1.00 0.00 ATOM 806 N SER A 104 36.175 7.774 15.789 1.00 0.00 ATOM 807 CA SER A 104 36.096 9.227 15.746 1.00 0.00 ATOM 808 CB SER A 104 37.567 9.817 15.875 1.00 0.00 ATOM 809 OG SER A 104 38.267 9.606 14.640 1.00 0.00 ATOM 810 O SER A 104 35.213 11.127 14.584 1.00 0.00 ATOM 811 C SER A 104 35.230 9.900 14.679 1.00 0.00 ATOM 812 N ILE A 105 34.501 9.101 13.905 1.00 0.00 ATOM 813 CA ILE A 105 33.522 9.640 12.959 1.00 0.00 ATOM 814 CB ILE A 105 33.020 8.591 11.949 1.00 0.00 ATOM 815 CG1 ILE A 105 34.186 8.042 11.126 1.00 0.00 ATOM 816 CG2 ILE A 105 32.008 9.211 10.996 1.00 0.00 ATOM 817 CD1 ILE A 105 34.879 9.083 10.277 1.00 0.00 ATOM 818 O ILE A 105 31.840 9.469 14.660 1.00 0.00 ATOM 819 C ILE A 105 32.330 10.152 13.761 1.00 0.00 ATOM 820 N ALA A 106 31.841 11.409 13.456 1.00 0.00 ATOM 821 CA ALA A 106 30.731 12.024 14.182 1.00 0.00 ATOM 822 CB ALA A 106 30.907 13.533 14.238 1.00 0.00 ATOM 823 O ALA A 106 28.458 11.375 14.408 1.00 0.00 ATOM 824 C ALA A 106 29.425 11.553 13.602 1.00 0.00 ATOM 825 N GLU A 107 29.398 11.508 12.171 1.00 0.00 ATOM 826 CA GLU A 107 28.128 11.087 11.577 1.00 0.00 ATOM 827 CB GLU A 107 27.592 12.314 10.836 1.00 0.00 ATOM 828 CG GLU A 107 26.261 12.086 10.139 1.00 0.00 ATOM 829 CD GLU A 107 25.693 13.357 9.537 1.00 0.00 ATOM 830 OE1 GLU A 107 26.289 14.433 9.751 1.00 0.00 ATOM 831 OE2 GLU A 107 24.654 13.275 8.849 1.00 0.00 ATOM 832 O GLU A 107 29.083 10.080 9.607 1.00 0.00 ATOM 833 C GLU A 107 28.305 9.964 10.565 1.00 0.00 ATOM 834 N GLY A 108 27.592 8.872 10.785 1.00 0.00 ATOM 835 CA GLY A 108 27.684 7.752 9.870 1.00 0.00 ATOM 836 O GLY A 108 25.322 7.525 10.092 1.00 0.00 ATOM 837 C GLY A 108 26.286 7.547 9.324 1.00 0.00 ATOM 838 N GLU A 109 26.177 7.416 8.007 1.00 0.00 ATOM 839 CA GLU A 109 24.884 7.245 7.357 1.00 0.00 ATOM 840 CB GLU A 109 24.574 8.429 6.438 1.00 0.00 ATOM 841 CG GLU A 109 23.213 8.352 5.766 1.00 0.00 ATOM 842 CD GLU A 109 22.939 9.541 4.867 1.00 0.00 ATOM 843 OE1 GLU A 109 23.844 10.390 4.712 1.00 0.00 ATOM 844 OE2 GLU A 109 21.822 9.626 4.315 1.00 0.00 ATOM 845 O GLU A 109 25.838 5.689 5.785 1.00 0.00 ATOM 846 C GLU A 109 24.930 5.926 6.573 1.00 0.00 ATOM 847 N MET A 110 23.964 5.048 6.852 1.00 0.00 ATOM 848 CA MET A 110 23.882 3.777 6.147 1.00 0.00 ATOM 849 CB MET A 110 23.881 2.634 7.164 1.00 0.00 ATOM 850 CG MET A 110 23.786 1.251 6.541 1.00 0.00 ATOM 851 SD MET A 110 23.751 -0.065 7.775 1.00 0.00 ATOM 852 CE MET A 110 22.113 0.160 8.463 1.00 0.00 ATOM 853 O MET A 110 21.511 3.868 5.901 1.00 0.00 ATOM 854 C MET A 110 22.600 3.753 5.340 1.00 0.00 ATOM 855 N LYS A 111 22.689 3.588 3.991 1.00 0.00 ATOM 856 CA LYS A 111 21.510 3.581 3.156 1.00 0.00 ATOM 857 CB LYS A 111 21.677 4.508 1.951 1.00 0.00 ATOM 858 CG LYS A 111 20.468 4.552 1.031 1.00 0.00 ATOM 859 CD LYS A 111 20.710 5.472 -0.155 1.00 0.00 ATOM 860 CE LYS A 111 19.509 5.502 -1.086 1.00 0.00 ATOM 861 NZ LYS A 111 19.723 6.417 -2.241 1.00 0.00 ATOM 862 O LYS A 111 22.269 1.452 2.307 1.00 0.00 ATOM 863 C LYS A 111 21.313 2.130 2.675 1.00 0.00 ATOM 864 N CYS A 112 20.087 1.632 2.780 1.00 0.00 ATOM 865 CA CYS A 112 19.780 0.289 2.326 1.00 0.00 ATOM 866 CB CYS A 112 19.256 -0.577 3.473 1.00 0.00 ATOM 867 SG CYS A 112 18.814 -2.263 2.994 1.00 0.00 ATOM 868 O CYS A 112 17.530 0.614 1.564 1.00 0.00 ATOM 869 C CYS A 112 18.720 0.481 1.261 1.00 0.00 ATOM 870 N ARG A 113 19.141 0.532 -0.009 1.00 0.00 ATOM 871 CA ARG A 113 18.183 0.728 -1.092 1.00 0.00 ATOM 872 CB ARG A 113 18.921 0.981 -2.421 1.00 0.00 ATOM 873 CG ARG A 113 19.824 -0.146 -2.870 1.00 0.00 ATOM 874 CD ARG A 113 20.665 0.337 -4.039 1.00 0.00 ATOM 875 NE ARG A 113 21.447 -0.723 -4.672 1.00 0.00 ATOM 876 CZ ARG A 113 22.635 -1.132 -4.247 1.00 0.00 ATOM 877 NH1 ARG A 113 23.184 -0.574 -3.173 1.00 0.00 ATOM 878 NH2 ARG A 113 23.299 -2.065 -4.924 1.00 0.00 ATOM 879 O ARG A 113 15.992 -0.157 -1.642 1.00 0.00 ATOM 880 C ARG A 113 17.156 -0.370 -1.268 1.00 0.00 ATOM 881 N ASN A 114 17.675 -1.642 -0.897 1.00 0.00 ATOM 882 CA ASN A 114 16.826 -2.801 -0.903 1.00 0.00 ATOM 883 CB ASN A 114 17.624 -4.090 -0.696 1.00 0.00 ATOM 884 CG ASN A 114 18.594 -4.362 -1.829 1.00 0.00 ATOM 885 ND2 ASN A 114 19.614 -5.166 -1.551 1.00 0.00 ATOM 886 OD1 ASN A 114 18.428 -3.854 -2.937 1.00 0.00 ATOM 887 O ASN A 114 14.512 -3.130 -0.286 1.00 0.00 ATOM 888 C ASN A 114 15.641 -2.753 0.067 1.00 0.00 ATOM 889 N CYS A 115 15.831 -2.329 1.234 1.00 0.00 ATOM 890 CA CYS A 115 14.794 -2.116 2.254 1.00 0.00 ATOM 891 CB CYS A 115 15.662 -2.513 3.682 1.00 0.00 ATOM 892 SG CYS A 115 17.210 -3.389 3.480 1.00 0.00 ATOM 893 O CYS A 115 13.272 -0.371 2.863 1.00 0.00 ATOM 894 C CYS A 115 14.261 -0.687 2.209 1.00 0.00 ATOM 895 N GLY A 116 14.939 0.172 1.407 1.00 0.00 ATOM 896 CA GLY A 116 14.499 1.548 1.269 1.00 0.00 ATOM 897 O GLY A 116 13.432 2.788 3.034 1.00 0.00 ATOM 898 C GLY A 116 14.444 2.202 2.628 1.00 0.00 ATOM 899 N HIS A 117 15.543 2.050 3.354 1.00 0.00 ATOM 900 CA HIS A 117 15.645 2.621 4.673 1.00 0.00 ATOM 901 CB HIS A 117 15.534 1.590 5.793 1.00 0.00 ATOM 902 CG HIS A 117 16.642 0.588 5.887 1.00 0.00 ATOM 903 CD2 HIS A 117 16.632 -0.715 6.255 1.00 0.00 ATOM 904 ND1 HIS A 117 17.967 0.905 5.664 1.00 0.00 ATOM 905 CE1 HIS A 117 18.719 -0.155 5.890 1.00 0.00 ATOM 906 NE2 HIS A 117 17.933 -1.154 6.251 1.00 0.00 ATOM 907 O HIS A 117 17.940 2.997 4.060 1.00 0.00 ATOM 908 C HIS A 117 17.015 3.259 4.835 1.00 0.00 ATOM 909 N ILE A 118 17.126 4.134 5.821 1.00 0.00 ATOM 910 CA ILE A 118 18.392 4.770 6.107 1.00 0.00 ATOM 911 CB ILE A 118 18.438 6.207 5.557 1.00 0.00 ATOM 912 CG1 ILE A 118 18.269 6.201 4.035 1.00 0.00 ATOM 913 CG2 ILE A 118 19.770 6.864 5.890 1.00 0.00 ATOM 914 CD1 ILE A 118 18.123 7.581 3.432 1.00 0.00 ATOM 915 O ILE A 118 17.593 4.974 8.368 1.00 0.00 ATOM 916 C ILE A 118 18.559 4.801 7.618 1.00 0.00 ATOM 917 N TYR A 119 19.785 4.587 8.072 1.00 0.00 ATOM 918 CA TYR A 119 20.046 4.607 9.497 1.00 0.00 ATOM 919 CB TYR A 119 20.330 3.150 9.920 1.00 0.00 ATOM 920 CG TYR A 119 20.537 2.839 11.390 1.00 0.00 ATOM 921 CD1 TYR A 119 21.632 3.343 12.096 1.00 0.00 ATOM 922 CD2 TYR A 119 19.684 1.952 12.046 1.00 0.00 ATOM 923 CE1 TYR A 119 21.871 2.960 13.423 1.00 0.00 ATOM 924 CE2 TYR A 119 19.913 1.562 13.365 1.00 0.00 ATOM 925 CZ TYR A 119 21.007 2.067 14.044 1.00 0.00 ATOM 926 OH TYR A 119 21.243 1.657 15.341 1.00 0.00 ATOM 927 O TYR A 119 22.112 5.727 9.002 1.00 0.00 ATOM 928 C TYR A 119 21.112 5.667 9.721 1.00 0.00 ATOM 929 N TYR A 120 20.912 6.520 10.742 1.00 0.00 ATOM 930 CA TYR A 120 21.859 7.572 11.091 1.00 0.00 ATOM 931 CB TYR A 120 21.180 8.938 11.216 1.00 0.00 ATOM 932 CG TYR A 120 20.698 9.505 9.900 1.00 0.00 ATOM 933 CD1 TYR A 120 19.402 9.270 9.456 1.00 0.00 ATOM 934 CD2 TYR A 120 21.538 10.274 9.106 1.00 0.00 ATOM 935 CE1 TYR A 120 18.952 9.783 8.254 1.00 0.00 ATOM 936 CE2 TYR A 120 21.105 10.797 7.902 1.00 0.00 ATOM 937 CZ TYR A 120 19.801 10.545 7.480 1.00 0.00 ATOM 938 OH TYR A 120 19.355 11.059 6.283 1.00 0.00 ATOM 939 O TYR A 120 21.815 6.981 13.416 1.00 0.00 ATOM 940 C TYR A 120 22.512 7.237 12.428 1.00 0.00 ATOM 941 N ILE A 121 23.849 7.249 12.449 1.00 0.00 ATOM 942 CA ILE A 121 24.635 6.956 13.651 1.00 0.00 ATOM 943 CB ILE A 121 25.632 5.806 13.409 1.00 0.00 ATOM 944 CG1 ILE A 121 24.885 4.523 13.040 1.00 0.00 ATOM 945 CG2 ILE A 121 26.454 5.542 14.661 1.00 0.00 ATOM 946 CD1 ILE A 121 25.791 3.407 12.563 1.00 0.00 ATOM 947 O ILE A 121 26.175 8.766 13.290 1.00 0.00 ATOM 948 C ILE A 121 25.431 8.175 14.085 1.00 0.00 ATOM 949 N LYS A 122 25.270 8.546 15.353 1.00 0.00 ATOM 950 CA LYS A 122 25.964 9.693 15.927 1.00 0.00 ATOM 951 CB LYS A 122 24.981 10.834 16.198 1.00 0.00 ATOM 952 CG LYS A 122 24.359 11.428 14.945 1.00 0.00 ATOM 953 CD LYS A 122 23.430 12.583 15.285 1.00 0.00 ATOM 954 CE LYS A 122 22.786 13.159 14.035 1.00 0.00 ATOM 955 NZ LYS A 122 21.866 14.285 14.351 1.00 0.00 ATOM 956 O LYS A 122 26.068 8.350 17.897 1.00 0.00 ATOM 957 C LYS A 122 26.596 9.229 17.225 1.00 0.00 ATOM 958 N ASN A 123 27.767 9.958 17.435 1.00 0.00 ATOM 959 CA ASN A 123 28.455 9.612 18.675 1.00 0.00 ATOM 960 CB ASN A 123 29.442 10.692 18.918 1.00 0.00 ATOM 961 CG ASN A 123 30.747 10.068 18.480 1.00 0.00 ATOM 962 ND2 ASN A 123 31.755 10.911 18.138 1.00 0.00 ATOM 963 OD1 ASN A 123 30.883 8.854 18.510 1.00 0.00 ATOM 964 O ASN A 123 27.087 11.100 19.929 1.00 0.00 ATOM 965 C ASN A 123 27.589 9.980 19.860 1.00 0.00 ATOM 966 N GLY A 124 27.439 9.053 20.795 1.00 0.00 ATOM 967 CA GLY A 124 26.668 9.327 21.989 1.00 0.00 ATOM 968 O GLY A 124 24.437 9.855 22.660 1.00 0.00 ATOM 969 C GLY A 124 25.167 9.372 21.789 1.00 0.00 ATOM 970 N ILE A 125 24.692 8.864 20.662 1.00 0.00 ATOM 971 CA ILE A 125 23.262 8.875 20.405 1.00 0.00 ATOM 972 CB ILE A 125 22.896 9.931 19.346 1.00 0.00 ATOM 973 CG1 ILE A 125 23.225 11.335 19.857 1.00 0.00 ATOM 974 CG2 ILE A 125 21.410 9.871 19.024 1.00 0.00 ATOM 975 CD1 ILE A 125 23.135 12.408 18.794 1.00 0.00 ATOM 976 O ILE A 125 23.329 7.019 18.874 1.00 0.00 ATOM 977 C ILE A 125 22.728 7.572 19.816 1.00 0.00 ATOM 978 N PRO A 126 21.601 7.117 20.326 1.00 0.00 ATOM 979 CA PRO A 126 20.965 5.962 19.723 1.00 0.00 ATOM 980 CB PRO A 126 19.636 5.880 20.465 1.00 0.00 ATOM 981 CG PRO A 126 19.917 6.495 21.816 1.00 0.00 ATOM 982 CD PRO A 126 20.845 7.626 21.499 1.00 0.00 ATOM 983 O PRO A 126 20.141 7.131 17.736 1.00 0.00 ATOM 984 C PRO A 126 20.701 6.127 18.214 1.00 0.00 ATOM 985 N ASN A 127 21.154 5.152 17.450 1.00 0.00 ATOM 986 CA ASN A 127 21.042 5.197 15.993 1.00 0.00 ATOM 987 CB ASN A 127 22.063 4.201 15.381 1.00 0.00 ATOM 988 CG ASN A 127 23.483 4.387 15.918 1.00 0.00 ATOM 989 ND2 ASN A 127 24.067 3.312 16.460 1.00 0.00 ATOM 990 OD1 ASN A 127 24.052 5.483 15.839 1.00 0.00 ATOM 991 O ASN A 127 18.711 4.676 16.159 1.00 0.00 ATOM 992 C ASN A 127 19.576 5.309 15.567 1.00 0.00 ATOM 993 N LEU A 128 19.317 6.150 14.577 1.00 0.00 ATOM 994 CA LEU A 128 17.975 6.401 14.075 1.00 0.00 ATOM 995 CB LEU A 128 17.774 7.897 13.826 1.00 0.00 ATOM 996 CG LEU A 128 16.418 8.313 13.252 1.00 0.00 ATOM 997 CD1 LEU A 128 15.303 8.022 14.244 1.00 0.00 ATOM 998 CD2 LEU A 128 16.400 9.804 12.943 1.00 0.00 ATOM 999 O LEU A 128 18.381 5.946 11.761 1.00 0.00 ATOM 1000 C LEU A 128 17.736 5.659 12.765 1.00 0.00 ATOM 1001 N LEU A 129 16.794 4.723 12.775 1.00 0.00 ATOM 1002 CA LEU A 129 16.459 3.932 11.592 1.00 0.00 ATOM 1003 CB LEU A 129 16.454 2.424 11.919 1.00 0.00 ATOM 1004 CG LEU A 129 16.084 1.512 10.739 1.00 0.00 ATOM 1005 CD1 LEU A 129 17.176 1.586 9.678 1.00 0.00 ATOM 1006 CD2 LEU A 129 15.877 0.087 11.225 1.00 0.00 ATOM 1007 O LEU A 129 14.089 4.291 11.683 1.00 0.00 ATOM 1008 C LEU A 129 15.118 4.378 11.012 1.00 0.00 ATOM 1009 N LEU A 130 15.111 4.842 9.815 1.00 0.00 ATOM 1010 CA LEU A 130 13.926 5.319 9.122 1.00 0.00 ATOM 1011 CB LEU A 130 13.916 6.844 8.979 1.00 0.00 ATOM 1012 CG LEU A 130 12.752 7.335 8.098 1.00 0.00 ATOM 1013 CD1 LEU A 130 11.421 6.970 8.754 1.00 0.00 ATOM 1014 CD2 LEU A 130 12.846 8.836 7.885 1.00 0.00 ATOM 1015 O LEU A 130 14.605 5.011 6.842 1.00 0.00 ATOM 1016 C LEU A 130 13.799 4.713 7.731 1.00 0.00 ATOM 1017 N PRO A 131 12.832 3.799 7.543 1.00 0.00 ATOM 1018 CA PRO A 131 12.629 3.165 6.235 1.00 0.00 ATOM 1019 CB PRO A 131 11.843 1.918 6.588 1.00 0.00 ATOM 1020 CG PRO A 131 11.006 2.386 7.741 1.00 0.00 ATOM 1021 CD PRO A 131 12.026 3.155 8.594 1.00 0.00 ATOM 1022 O PRO A 131 10.865 4.725 5.811 1.00 0.00 ATOM 1023 C PRO A 131 11.981 4.324 5.486 1.00 0.00 ATOM 1024 N PRO A 132 12.622 5.026 4.425 1.00 0.00 ATOM 1025 CA PRO A 132 12.024 6.182 3.738 1.00 0.00 ATOM 1026 CB PRO A 132 13.105 6.601 2.738 1.00 0.00 ATOM 1027 CG PRO A 132 14.372 6.062 3.293 1.00 0.00 ATOM 1028 CD PRO A 132 14.004 4.773 3.976 1.00 0.00 ATOM 1029 O PRO A 132 9.908 6.784 2.743 1.00 0.00 ATOM 1030 C PRO A 132 10.706 5.878 3.001 1.00 0.00 ATOM 1031 N HIS A 133 10.481 4.609 2.682 1.00 0.00 ATOM 1032 CA HIS A 133 9.257 4.172 2.027 1.00 0.00 ATOM 1033 CB HIS A 133 9.503 3.187 0.921 1.00 0.00 ATOM 1034 CG HIS A 133 10.380 3.762 -0.170 1.00 0.00 ATOM 1035 CD2 HIS A 133 11.517 3.321 -0.680 1.00 0.00 ATOM 1036 ND1 HIS A 133 10.057 4.934 -0.824 1.00 0.00 ATOM 1037 CE1 HIS A 133 11.016 5.165 -1.703 1.00 0.00 ATOM 1038 NE2 HIS A 133 11.937 4.211 -1.638 1.00 0.00 ATOM 1039 O HIS A 133 7.086 3.306 2.665 1.00 0.00 ATOM 1040 C HIS A 133 8.199 3.713 3.036 1.00 0.00 ATOM 1041 N LEU A 134 8.528 3.803 4.319 1.00 0.00 ATOM 1042 CA LEU A 134 7.641 3.312 5.363 1.00 0.00 ATOM 1043 CB LEU A 134 8.293 2.144 6.106 1.00 0.00 ATOM 1044 CG LEU A 134 8.523 0.864 5.297 1.00 0.00 ATOM 1045 CD1 LEU A 134 9.371 -0.115 6.089 1.00 0.00 ATOM 1046 CD2 LEU A 134 7.181 0.249 4.897 1.00 0.00 ATOM 1047 O LEU A 134 6.105 4.337 6.877 1.00 0.00 ATOM 1048 C LEU A 134 7.230 4.363 6.393 1.00 0.00 ATOM 1049 N VAL A 135 8.142 5.273 6.737 1.00 0.00 ATOM 1050 CA VAL A 135 7.877 6.262 7.773 1.00 0.00 ATOM 1051 CB VAL A 135 8.772 5.964 9.035 1.00 0.00 ATOM 1052 CG1 VAL A 135 8.531 6.965 10.148 1.00 0.00 ATOM 1053 CG2 VAL A 135 8.504 4.550 9.559 1.00 0.00 ATOM 1054 O VAL A 135 9.172 7.762 6.440 1.00 0.00 ATOM 1055 C VAL A 135 8.312 7.638 7.313 1.00 0.00 ENDMDL EXPDTA 2j6aA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2j6aA ATOM 1 N MET 1 19.564 8.334 17.783 1.00 0.00 ATOM 2 CA MET 1 19.264 6.893 17.968 1.00 0.00 ATOM 3 CB MET 1 17.772 6.595 17.758 1.00 0.00 ATOM 4 CG MET 1 17.293 6.436 16.357 1.00 0.00 ATOM 5 SD MET 1 15.676 5.609 16.252 1.00 0.00 ATOM 6 CE MET 1 15.822 5.012 14.566 1.00 0.00 ATOM 7 O MET 1 20.398 6.380 15.900 1.00 0.00 ATOM 8 C MET 1 20.179 6.058 17.066 1.00 0.00 ATOM 9 N LYS 2 20.733 5.003 17.632 1.00 0.00 ATOM 10 CA LYS 2 21.709 4.196 16.900 1.00 0.00 ATOM 11 CB LYS 2 22.292 3.093 17.793 1.00 0.00 ATOM 12 CG LYS 2 23.186 3.576 18.921 1.00 0.00 ATOM 13 CD LYS 2 23.661 2.395 19.739 1.00 0.00 ATOM 14 CE LYS 2 23.955 2.801 21.176 1.00 0.00 ATOM 15 NZ LYS 2 24.842 3.983 21.238 1.00 0.00 ATOM 16 O LYS 2 19.898 3.260 15.602 1.00 0.00 ATOM 17 C LYS 2 21.098 3.586 15.640 1.00 0.00 ATOM 18 N PHE 3 21.937 3.422 14.616 1.00 0.00 ATOM 19 CA PHE 3 21.491 2.752 13.390 1.00 0.00 ATOM 20 CB PHE 3 22.641 2.531 12.401 1.00 0.00 ATOM 21 CG PHE 3 22.209 1.831 11.123 1.00 0.00 ATOM 22 CD1 PHE 3 21.762 2.579 10.038 1.00 0.00 ATOM 23 CD2 PHE 3 22.232 0.439 11.011 1.00 0.00 ATOM 24 CE1 PHE 3 21.335 1.960 8.855 1.00 0.00 ATOM 25 CE2 PHE 3 21.827 -0.203 9.818 1.00 0.00 ATOM 26 CZ PHE 3 21.371 0.569 8.733 1.00 0.00 ATOM 27 O PHE 3 19.776 1.111 13.099 1.00 0.00 ATOM 28 C PHE 3 20.787 1.428 13.701 1.00 0.00 ATOM 29 N LEU 4 21.324 0.659 14.640 1.00 0.00 ATOM 30 CA LEU 4 20.724 -0.631 15.040 1.00 0.00 ATOM 31 CB LEU 4 21.433 -1.158 16.293 1.00 0.00 ATOM 32 CG LEU 4 20.878 -2.478 16.827 1.00 0.00 ATOM 33 CD1 LEU 4 21.097 -3.510 15.736 1.00 0.00 ATOM 34 CD2 LEU 4 21.612 -2.832 18.140 1.00 0.00 ATOM 35 O LEU 4 18.456 -1.466 14.974 1.00 0.00 ATOM 36 C LEU 4 19.230 -0.564 15.335 1.00 0.00 ATOM 37 N THR 5 18.825 0.515 16.004 1.00 0.00 ATOM 38 CA THR 5 17.442 0.724 16.369 1.00 0.00 ATOM 39 CB THR 5 17.291 2.015 17.202 1.00 0.00 ATOM 40 CG2 THR 5 15.851 2.132 17.729 1.00 0.00 ATOM 41 OG1 THR 5 18.214 1.979 18.305 1.00 0.00 ATOM 42 O THR 5 15.332 0.289 15.269 1.00 0.00 ATOM 43 C THR 5 16.481 0.737 15.148 1.00 0.00 ATOM 44 N THR 6 16.932 1.231 13.989 1.00 0.00 ATOM 45 CA THR 6 16.083 1.251 12.787 1.00 0.00 ATOM 46 CB THR 6 16.785 1.873 11.524 1.00 0.00 ATOM 47 CG2 THR 6 17.416 3.253 11.817 1.00 0.00 ATOM 48 OG1 THR 6 17.798 0.986 11.051 1.00 0.00 ATOM 49 O THR 6 14.729 -0.411 11.684 1.00 0.00 ATOM 50 C THR 6 15.681 -0.188 12.419 1.00 0.00 ATOM 51 N ASN 7 16.442 -1.164 12.901 1.00 0.00 ATOM 52 CA ASN 7 16.135 -2.562 12.605 1.00 0.00 ATOM 53 CB ASN 7 17.391 -3.456 12.734 1.00 0.00 ATOM 54 CG ASN 7 17.288 -4.732 11.916 1.00 0.00 ATOM 55 ND2 ASN 7 17.349 -4.604 10.588 1.00 0.00 ATOM 56 OD1 ASN 7 17.130 -5.815 12.467 1.00 0.00 ATOM 57 O ASN 7 14.540 -4.238 13.207 1.00 0.00 ATOM 58 C ASN 7 14.996 -3.120 13.454 1.00 0.00 ATOM 59 N PHE 8 14.522 -2.346 14.431 1.00 0.00 ATOM 60 CA PHE 8 13.506 -2.838 15.370 1.00 0.00 ATOM 61 CB PHE 8 14.152 -3.136 16.731 1.00 0.00 ATOM 62 CG PHE 8 15.197 -4.209 16.651 1.00 0.00 ATOM 63 CD1 PHE 8 14.839 -5.559 16.732 1.00 0.00 ATOM 64 CD2 PHE 8 16.524 -3.875 16.410 1.00 0.00 ATOM 65 CE1 PHE 8 15.802 -6.554 16.612 1.00 0.00 ATOM 66 CE2 PHE 8 17.499 -4.875 16.287 1.00 0.00 ATOM 67 CZ PHE 8 17.134 -6.197 16.391 1.00 0.00 ATOM 68 O PHE 8 11.445 -2.168 16.366 1.00 0.00 ATOM 69 C PHE 8 12.297 -1.924 15.519 1.00 0.00 ATOM 70 N LEU 9 12.269 -0.854 14.732 1.00 0.00 ATOM 71 CA LEU 9 11.195 0.136 14.777 1.00 0.00 ATOM 72 CB LEU 9 11.777 1.547 14.686 1.00 0.00 ATOM 73 CG LEU 9 12.111 2.416 15.892 1.00 0.00 ATOM 74 CD1 LEU 9 12.397 3.801 15.334 1.00 0.00 ATOM 75 CD2 LEU 9 10.993 2.485 16.960 1.00 0.00 ATOM 76 O LEU 9 10.533 -0.024 12.475 1.00 0.00 ATOM 77 C LEU 9 10.183 -0.073 13.657 1.00 0.00 ATOM 78 N LYS 10 8.928 -0.328 14.042 1.00 0.00 ATOM 79 CA LYS 10 7.837 -0.489 13.104 1.00 0.00 ATOM 80 CB LYS 10 7.165 -1.879 13.230 1.00 0.00 ATOM 81 CG LYS 10 6.511 -2.166 14.583 1.00 0.00 ATOM 82 CD LYS 10 5.797 -3.524 14.612 1.00 0.00 ATOM 83 CE LYS 10 4.946 -3.665 15.873 1.00 0.00 ATOM 84 NZ LYS 10 3.968 -4.793 15.742 1.00 0.00 ATOM 85 O LYS 10 6.816 1.184 14.492 1.00 0.00 ATOM 86 C LYS 10 6.817 0.609 13.386 1.00 0.00 ATOM 87 N CYS 11 5.957 0.873 12.405 1.00 0.00 ATOM 88 CA CYS 11 4.870 1.854 12.550 1.00 0.00 ATOM 89 CB CYS 11 3.969 1.836 11.319 1.00 0.00 ATOM 90 SG CYS 11 2.560 3.006 11.420 1.00 0.00 ATOM 91 O CYS 11 3.674 0.445 14.095 1.00 0.00 ATOM 92 C CYS 11 4.028 1.588 13.798 1.00 0.00 ATOM 93 N SER 12 3.726 2.659 14.528 1.00 0.00 ATOM 94 CA SER 12 3.036 2.528 15.818 1.00 0.00 ATOM 95 CB SER 12 3.375 3.692 16.733 1.00 0.00 ATOM 96 OG SER 12 2.872 4.878 16.167 1.00 0.00 ATOM 97 O SER 12 0.822 2.233 16.613 1.00 0.00 ATOM 98 C SER 12 1.527 2.457 15.646 1.00 0.00 ATOM 99 N VAL 13 1.025 2.665 14.432 1.00 0.00 ATOM 100 CA VAL 13 -0.410 2.506 14.190 1.00 0.00 ATOM 101 CB VAL 13 -0.875 3.224 12.899 1.00 0.00 ATOM 102 CG1 VAL 13 -2.370 2.974 12.635 1.00 0.00 ATOM 103 CG2 VAL 13 -0.553 4.714 12.979 1.00 0.00 ATOM 104 O VAL 13 -0.305 0.243 13.360 1.00 0.00 ATOM 105 C VAL 13 -0.778 1.018 14.184 1.00 0.00 ATOM 106 N LYS 14 -1.642 0.643 15.123 1.00 0.00 ATOM 107 CA LYS 14 -2.040 -0.758 15.347 1.00 0.00 ATOM 108 CB LYS 14 -2.961 -0.845 16.580 1.00 0.00 ATOM 109 CG LYS 14 -2.669 0.238 17.672 1.00 0.00 ATOM 110 CD LYS 14 -3.141 1.663 17.240 1.00 0.00 ATOM 111 CE LYS 14 -2.249 2.777 17.752 1.00 0.00 ATOM 112 NZ LYS 14 -2.474 4.077 17.041 1.00 0.00 ATOM 113 O LYS 14 -2.463 -2.607 13.839 1.00 0.00 ATOM 114 C LYS 14 -2.665 -1.411 14.101 1.00 0.00 ATOM 115 N ALA 15 -3.396 -0.617 13.311 1.00 0.00 ATOM 116 CA ALA 15 -3.965 -1.076 12.038 1.00 0.00 ATOM 117 CB ALA 15 -4.838 0.031 11.410 1.00 0.00 ATOM 118 O ALA 15 -3.214 -2.334 10.136 1.00 0.00 ATOM 119 C ALA 15 -2.910 -1.548 11.024 1.00 0.00 ATOM 120 N CYS 16 -1.676 -1.044 11.152 1.00 0.00 ATOM 121 CA CYS 16 -0.581 -1.417 10.263 1.00 0.00 ATOM 122 CB CYS 16 0.459 -0.288 10.214 1.00 0.00 ATOM 123 SG CYS 16 -0.074 1.100 9.206 1.00 0.00 ATOM 124 O CYS 16 0.863 -3.290 9.822 1.00 0.00 ATOM 125 C CYS 16 0.103 -2.743 10.632 1.00 0.00 ATOM 126 N ASP 17 -0.158 -3.243 11.841 1.00 0.00 ATOM 127 CA ASP 17 0.495 -4.464 12.350 1.00 0.00 ATOM 128 CB ASP 17 -0.095 -4.870 13.694 1.00 0.00 ATOM 129 CG ASP 17 0.445 -4.046 14.841 1.00 0.00 ATOM 130 OD1 ASP 17 1.229 -3.099 14.595 1.00 0.00 ATOM 131 OD2 ASP 17 0.084 -4.352 16.003 1.00 0.00 ATOM 132 O ASP 17 1.374 -6.459 11.339 1.00 0.00 ATOM 133 C ASP 17 0.432 -5.656 11.403 1.00 0.00 ATOM 134 N THR 18 -0.673 -5.764 10.671 1.00 0.00 ATOM 135 CA THR 18 -0.902 -6.893 9.772 1.00 0.00 ATOM 136 CB THR 18 -2.408 -7.210 9.665 1.00 0.00 ATOM 137 CG2 THR 18 -2.901 -7.861 10.960 1.00 0.00 ATOM 138 OG1 THR 18 -3.137 -5.993 9.450 1.00 0.00 ATOM 139 O THR 18 -0.287 -7.642 7.566 1.00 0.00 ATOM 140 C THR 18 -0.280 -6.716 8.378 1.00 0.00 ATOM 141 N SER 19 0.269 -5.529 8.117 1.00 0.00 ATOM 142 CA SER 19 0.916 -5.230 6.843 1.00 0.00 ATOM 143 CB SER 19 0.865 -3.726 6.557 1.00 0.00 ATOM 144 OG SER 19 1.456 -3.434 5.301 1.00 0.00 ATOM 145 O SER 19 3.074 -5.553 7.832 1.00 0.00 ATOM 146 C SER 19 2.368 -5.693 6.836 1.00 0.00 ATOM 147 N ASN 20 2.806 -6.237 5.703 1.00 0.00 ATOM 148 CA ASN 20 4.222 -6.516 5.467 1.00 0.00 ATOM 149 CB ASN 20 4.414 -7.443 4.261 1.00 0.00 ATOM 150 CG ASN 20 3.830 -8.829 4.482 1.00 0.00 ATOM 151 ND2 ASN 20 3.503 -9.504 3.383 1.00 0.00 ATOM 152 OD1 ASN 20 3.683 -9.294 5.621 1.00 0.00 ATOM 153 O ASN 20 6.252 -5.273 5.189 1.00 0.00 ATOM 154 C ASN 20 5.019 -5.236 5.236 1.00 0.00 ATOM 155 N ASP 21 4.319 -4.112 5.077 1.00 0.00 ATOM 156 CA ASP 21 4.979 -2.834 4.813 1.00 0.00 ATOM 157 CB ASP 21 4.324 -2.100 3.638 1.00 0.00 ATOM 158 CG ASP 21 4.504 -2.827 2.314 1.00 0.00 ATOM 159 OD1 ASP 21 5.546 -3.503 2.111 1.00 0.00 ATOM 160 OD2 ASP 21 3.595 -2.709 1.469 1.00 0.00 ATOM 161 O ASP 21 5.415 -0.729 5.853 1.00 0.00 ATOM 162 C ASP 21 5.081 -1.901 6.024 1.00 0.00 ATOM 163 N ASN 22 4.828 -2.420 7.225 1.00 0.00 ATOM 164 CA ASN 22 4.954 -1.630 8.473 1.00 0.00 ATOM 165 CB ASN 22 3.979 -2.134 9.567 1.00 0.00 ATOM 166 CG ASN 22 4.474 -3.412 10.296 1.00 0.00 ATOM 167 ND2 ASN 22 5.355 -4.161 9.657 1.00 0.00 ATOM 168 OD1 ASN 22 4.047 -3.708 11.413 1.00 0.00 ATOM 169 O ASN 22 6.643 -0.862 10.045 1.00 0.00 ATOM 170 C ASN 22 6.389 -1.525 9.020 1.00 0.00 ATOM 171 N PHE 23 7.310 -2.184 8.322 1.00 0.00 ATOM 172 CA PHE 23 8.690 -2.333 8.763 1.00 0.00 ATOM 173 CB PHE 23 8.788 -3.340 9.929 1.00 0.00 ATOM 174 CG PHE 23 10.208 -3.760 10.216 1.00 0.00 ATOM 175 CD1 PHE 23 10.732 -4.911 9.649 1.00 0.00 ATOM 176 CD2 PHE 23 11.039 -2.950 10.995 1.00 0.00 ATOM 177 CE1 PHE 23 12.061 -5.281 9.870 1.00 0.00 ATOM 178 CE2 PHE 23 12.377 -3.308 11.232 1.00 0.00 ATOM 179 CZ PHE 23 12.891 -4.471 10.661 1.00 0.00 ATOM 180 O PHE 23 9.175 -3.646 6.807 1.00 0.00 ATOM 181 C PHE 23 9.587 -2.799 7.591 1.00 0.00 ATOM 182 N PRO 24 10.791 -2.204 7.430 1.00 0.00 ATOM 183 CA PRO 24 11.283 -1.102 8.259 1.00 0.00 ATOM 184 CB PRO 24 12.777 -1.021 7.915 1.00 0.00 ATOM 185 CG PRO 24 12.894 -1.653 6.563 1.00 0.00 ATOM 186 CD PRO 24 11.726 -2.551 6.342 1.00 0.00 ATOM 187 O PRO 24 9.904 0.197 6.803 1.00 0.00 ATOM 188 C PRO 24 10.606 0.181 7.815 1.00 0.00 ATOM 189 N LEU 25 10.814 1.251 8.565 1.00 0.00 ATOM 190 CA LEU 25 10.274 2.542 8.162 1.00 0.00 ATOM 191 CB LEU 25 10.283 3.505 9.350 1.00 0.00 ATOM 192 CG LEU 25 9.406 3.157 10.551 1.00 0.00 ATOM 193 CD1 LEU 25 9.670 4.131 11.708 1.00 0.00 ATOM 194 CD2 LEU 25 7.981 3.214 10.160 1.00 0.00 ATOM 195 O LEU 25 12.281 2.559 6.844 1.00 0.00 ATOM 196 C LEU 25 11.160 3.054 7.034 1.00 0.00 ATOM 197 N GLN 26 10.653 4.016 6.265 1.00 0.00 ATOM 198 CA GLN 26 11.428 4.574 5.169 1.00 0.00 ATOM 199 CB GLN 26 10.563 4.804 3.938 1.00 0.00 ATOM 200 CG GLN 26 11.321 5.495 2.823 1.00 0.00 ATOM 201 CD GLN 26 10.549 5.547 1.542 1.00 0.00 ATOM 202 OE1 GLN 26 9.751 4.657 1.239 1.00 0.00 ATOM 203 NE2 GLN 26 10.777 6.602 0.769 1.00 0.00 ATOM 204 O GLN 26 11.407 6.890 5.822 1.00 0.00 ATOM 205 C GLN 26 12.077 5.870 5.624 1.00 0.00 ATOM 206 N TYR 27 13.387 5.803 5.813 1.00 0.00 ATOM 207 CA TYR 27 14.143 6.927 6.365 1.00 0.00 ATOM 208 CB TYR 27 15.406 6.416 7.085 1.00 0.00 ATOM 209 CG TYR 27 15.014 5.670 8.326 1.00 0.00 ATOM 210 CD1 TYR 27 15.044 6.299 9.578 1.00 0.00 ATOM 211 CD2 TYR 27 14.540 4.341 8.252 1.00 0.00 ATOM 212 CE1 TYR 27 14.641 5.631 10.737 1.00 0.00 ATOM 213 CE2 TYR 27 14.123 3.656 9.394 1.00 0.00 ATOM 214 CZ TYR 27 14.173 4.311 10.637 1.00 0.00 ATOM 215 OH TYR 27 13.752 3.651 11.757 1.00 0.00 ATOM 216 O TYR 27 14.874 7.499 4.163 1.00 0.00 ATOM 217 C TYR 27 14.456 7.910 5.241 1.00 0.00 ATOM 218 N ASP 28 14.190 9.196 5.490 1.00 0.00 ATOM 219 CA ASP 28 14.487 10.236 4.500 1.00 0.00 ATOM 220 CB ASP 28 13.521 11.406 4.617 1.00 0.00 ATOM 221 CG ASP 28 13.767 12.473 3.550 1.00 0.00 ATOM 222 OD1 ASP 28 14.864 12.488 2.924 1.00 0.00 ATOM 223 OD2 ASP 28 12.864 13.321 3.363 1.00 0.00 ATOM 224 O ASP 28 16.236 11.534 5.530 1.00 0.00 ATOM 225 C ASP 28 15.929 10.695 4.675 1.00 0.00 ATOM 226 N GLY 29 16.817 10.108 3.878 1.00 0.00 ATOM 227 CA GLY 29 18.241 10.350 3.993 1.00 0.00 ATOM 228 O GLY 29 19.711 12.217 4.154 1.00 0.00 ATOM 229 C GLY 29 18.668 11.775 3.685 1.00 0.00 ATOM 230 N SER 30 17.856 12.496 2.912 1.00 0.00 ATOM 231 CA SER 30 18.132 13.916 2.651 1.00 0.00 ATOM 232 CB SER 30 17.249 14.481 1.522 1.00 0.00 ATOM 233 OG SER 30 15.898 14.743 1.899 1.00 0.00 ATOM 234 O SER 30 18.608 15.781 4.101 1.00 0.00 ATOM 235 C SER 30 17.987 14.728 3.941 1.00 0.00 ATOM 236 N LYS 31 17.162 14.228 4.854 1.00 0.00 ATOM 237 CA LYS 31 16.909 14.910 6.117 1.00 0.00 ATOM 238 CB LYS 31 15.406 14.981 6.370 1.00 0.00 ATOM 239 CG LYS 31 14.673 15.867 5.385 1.00 0.00 ATOM 240 CD LYS 31 13.180 15.708 5.562 1.00 0.00 ATOM 241 CE LYS 31 12.415 16.402 4.439 1.00 0.00 ATOM 242 NZ LYS 31 12.792 17.838 4.374 1.00 0.00 ATOM 243 O LYS 31 17.766 15.067 8.346 1.00 0.00 ATOM 244 C LYS 31 17.644 14.366 7.345 1.00 0.00 ATOM 245 N CYS 32 18.138 13.130 7.288 1.00 0.00 ATOM 246 CA CYS 32 18.733 12.520 8.492 1.00 0.00 ATOM 247 CB CYS 32 18.628 10.986 8.462 1.00 0.00 ATOM 248 SG CYS 32 16.940 10.358 8.441 1.00 0.00 ATOM 249 O CYS 32 21.023 12.679 7.844 1.00 0.00 ATOM 250 C CYS 32 20.181 12.944 8.689 1.00 0.00 ATOM 251 N GLN 33 20.466 13.602 9.806 1.00 0.00 ATOM 252 CA GLN 33 21.817 14.016 10.106 1.00 0.00 ATOM 253 CB GLN 33 21.828 15.397 10.748 1.00 0.00 ATOM 254 CG GLN 33 21.119 16.437 9.869 1.00 0.00 ATOM 255 CD GLN 33 21.185 17.845 10.421 1.00 0.00 ATOM 256 OE1 GLN 33 22.241 18.489 10.387 1.00 0.00 ATOM 257 NE2 GLN 33 20.049 18.347 10.911 1.00 0.00 ATOM 258 O GLN 33 21.939 12.625 12.058 1.00 0.00 ATOM 259 C GLN 33 22.466 12.971 10.994 1.00 0.00 ATOM 260 N LEU 34 23.588 12.449 10.516 1.00 0.00 ATOM 261 CA LEU 34 24.255 11.330 11.170 1.00 0.00 ATOM 262 CB LEU 34 24.731 10.290 10.139 1.00 0.00 ATOM 263 CG LEU 34 23.746 9.750 9.093 1.00 0.00 ATOM 264 CD1 LEU 34 24.355 8.586 8.307 1.00 0.00 ATOM 265 CD2 LEU 34 22.417 9.344 9.731 1.00 0.00 ATOM 266 O LEU 34 26.105 12.798 11.566 1.00 0.00 ATOM 267 C LEU 34 25.431 11.837 11.967 1.00 0.00 ATOM 268 N VAL 35 25.681 11.180 13.095 1.00 0.00 ATOM 269 CA VAL 35 26.811 11.491 13.957 1.00 0.00 ATOM 270 CB VAL 35 26.404 12.329 15.209 1.00 0.00 ATOM 271 CG1 VAL 35 25.714 13.637 14.793 1.00 0.00 ATOM 272 CG2 VAL 35 25.510 11.555 16.147 1.00 0.00 ATOM 273 O VAL 35 26.821 9.158 14.528 1.00 0.00 ATOM 274 C VAL 35 27.487 10.191 14.386 1.00 0.00 ATOM 275 N GLN 36 28.801 10.244 14.573 1.00 0.00 ATOM 276 CA GLN 36 29.560 9.092 15.071 1.00 0.00 ATOM 277 CB GLN 36 30.841 8.870 14.251 1.00 0.00 ATOM 278 CG GLN 36 30.634 8.838 12.740 1.00 0.00 ATOM 279 CD GLN 36 29.874 7.602 12.268 1.00 0.00 ATOM 280 OE1 GLN 36 30.114 6.490 12.745 1.00 0.00 ATOM 281 NE2 GLN 36 28.954 7.795 11.321 1.00 0.00 ATOM 282 O GLN 36 30.410 10.259 17.005 1.00 0.00 ATOM 283 C GLN 36 29.883 9.232 16.567 1.00 0.00 ATOM 284 N ASP 37 29.537 8.208 17.346 1.00 0.00 ATOM 285 CA ASP 37 29.911 8.133 18.756 1.00 0.00 ATOM 286 CB ASP 37 28.693 7.773 19.625 1.00 0.00 ATOM 287 CG ASP 37 28.984 7.826 21.133 1.00 0.00 ATOM 288 OD1 ASP 37 30.147 8.060 21.545 1.00 0.00 ATOM 289 OD2 ASP 37 28.023 7.633 21.910 1.00 0.00 ATOM 290 O ASP 37 30.700 5.874 18.904 1.00 0.00 ATOM 291 C ASP 37 30.997 7.067 18.858 1.00 0.00 ATOM 292 N GLU 38 32.252 7.508 18.871 1.00 0.00 ATOM 293 CA GLU 38 33.399 6.599 18.861 1.00 0.00 ATOM 294 CB GLU 38 34.583 7.246 18.127 1.00 0.00 ATOM 295 CG GLU 38 34.253 7.689 16.685 1.00 0.00 ATOM 296 CD GLU 38 35.278 8.653 16.070 1.00 0.00 ATOM 297 OE1 GLU 38 36.293 8.990 16.726 1.00 0.00 ATOM 298 OE2 GLU 38 35.058 9.084 14.911 1.00 0.00 ATOM 299 O GLU 38 34.712 5.316 20.439 1.00 0.00 ATOM 300 C GLU 38 33.785 6.118 20.275 1.00 0.00 ATOM 301 N SER 39 33.045 6.583 21.281 1.00 0.00 ATOM 302 CA SER 39 33.276 6.202 22.675 1.00 0.00 ATOM 303 CB SER 39 32.716 7.273 23.624 1.00 0.00 ATOM 304 OG SER 39 31.307 7.158 23.777 1.00 0.00 ATOM 305 O SER 39 32.989 4.275 24.106 1.00 0.00 ATOM 306 C SER 39 32.704 4.821 23.029 1.00 0.00 ATOM 307 N ILE 40 31.891 4.271 22.128 1.00 0.00 ATOM 308 CA ILE 40 31.318 2.931 22.290 1.00 0.00 ATOM 309 CB ILE 40 30.085 2.733 21.376 1.00 0.00 ATOM 310 CG1 ILE 40 28.960 3.679 21.808 1.00 0.00 ATOM 311 CG2 ILE 40 29.598 1.276 21.406 1.00 0.00 ATOM 312 CD1 ILE 40 28.048 4.076 20.692 1.00 0.00 ATOM 313 O ILE 40 32.956 1.844 20.911 1.00 0.00 ATOM 314 C ILE 40 32.396 1.888 22.007 1.00 0.00 ATOM 315 N GLU 41 32.683 1.069 23.018 1.00 0.00 ATOM 316 CA GLU 41 33.775 0.097 22.979 1.00 0.00 ATOM 317 CB GLU 41 34.147 -0.323 24.406 1.00 0.00 ATOM 318 CG GLU 41 35.652 -0.354 24.669 1.00 0.00 ATOM 319 CD GLU 41 36.022 0.322 25.987 1.00 0.00 ATOM 320 OE1 GLU 41 35.672 -0.223 27.063 1.00 0.00 ATOM 321 OE2 GLU 41 36.668 1.401 25.945 1.00 0.00 ATOM 322 O GLU 41 32.328 -1.690 22.285 1.00 0.00 ATOM 323 C GLU 41 33.420 -1.141 22.160 1.00 0.00 ATOM 324 N PHE 42 34.362 -1.576 21.332 1.00 0.00 ATOM 325 CA PHE 42 34.188 -2.757 20.499 1.00 0.00 ATOM 326 CB PHE 42 35.279 -2.786 19.429 1.00 0.00 ATOM 327 CG PHE 42 35.213 -3.970 18.504 1.00 0.00 ATOM 328 CD1 PHE 42 34.176 -4.115 17.589 1.00 0.00 ATOM 329 CD2 PHE 42 36.223 -4.927 18.523 1.00 0.00 ATOM 330 CE1 PHE 42 34.133 -5.214 16.723 1.00 0.00 ATOM 331 CE2 PHE 42 36.192 -6.018 17.664 1.00 0.00 ATOM 332 CZ PHE 42 35.147 -6.170 16.765 1.00 0.00 ATOM 333 O PHE 42 35.229 -4.246 22.065 1.00 0.00 ATOM 334 C PHE 42 34.246 -4.020 21.360 1.00 0.00 ATOM 335 N ASN 43 33.183 -4.819 21.302 1.00 0.00 ATOM 336 CA ASN 43 33.103 -6.105 22.002 1.00 0.00 ATOM 337 CB ASN 43 32.173 -6.007 23.226 1.00 0.00 ATOM 338 CG ASN 43 32.046 -7.341 24.002 1.00 0.00 ATOM 339 ND2 ASN 43 31.819 -7.242 25.305 1.00 0.00 ATOM 340 OD1 ASN 43 32.151 -8.435 23.432 1.00 0.00 ATOM 341 O ASN 43 31.418 -7.160 20.666 1.00 0.00 ATOM 342 C ASN 43 32.601 -7.155 21.007 1.00 0.00 ATOM 343 N PRO 44 33.508 -8.016 20.499 1.00 0.00 ATOM 344 CA PRO 44 33.128 -8.980 19.453 1.00 0.00 ATOM 345 CB PRO 44 34.436 -9.739 19.169 1.00 0.00 ATOM 346 CG PRO 44 35.285 -9.505 20.389 1.00 0.00 ATOM 347 CD PRO 44 34.948 -8.116 20.830 1.00 0.00 ATOM 348 O PRO 44 31.146 -10.262 19.053 1.00 0.00 ATOM 349 C PRO 44 32.014 -9.938 19.872 1.00 0.00 ATOM 350 N GLU 45 32.030 -10.370 21.131 1.00 0.00 ATOM 351 CA GLU 45 30.997 -11.287 21.642 1.00 0.00 ATOM 352 CB GLU 45 31.345 -11.766 23.069 1.00 0.00 ATOM 353 CG GLU 45 32.507 -12.775 23.072 1.00 0.00 ATOM 354 CD GLU 45 32.756 -13.442 24.432 1.00 0.00 ATOM 355 OE1 GLU 45 31.849 -14.106 24.980 1.00 0.00 ATOM 356 OE2 GLU 45 33.900 -13.326 24.933 1.00 0.00 ATOM 357 O GLU 45 28.660 -11.199 21.044 1.00 0.00 ATOM 358 C GLU 45 29.620 -10.616 21.569 1.00 0.00 ATOM 359 N PHE 46 29.554 -9.377 22.048 1.00 0.00 ATOM 360 CA PHE 46 28.310 -8.578 22.040 1.00 0.00 ATOM 361 CB PHE 46 28.568 -7.256 22.784 1.00 0.00 ATOM 362 CG PHE 46 27.359 -6.358 22.939 1.00 0.00 ATOM 363 CD1 PHE 46 26.211 -6.800 23.597 1.00 0.00 ATOM 364 CD2 PHE 46 27.385 -5.044 22.446 1.00 0.00 ATOM 365 CE1 PHE 46 25.099 -5.952 23.766 1.00 0.00 ATOM 366 CE2 PHE 46 26.274 -4.190 22.602 1.00 0.00 ATOM 367 CZ PHE 46 25.123 -4.660 23.267 1.00 0.00 ATOM 368 O PHE 46 26.734 -8.558 20.219 1.00 0.00 ATOM 369 C PHE 46 27.881 -8.337 20.591 1.00 0.00 ATOM 370 N LEU 47 28.832 -7.932 19.752 1.00 0.00 ATOM 371 CA LEU 47 28.531 -7.664 18.353 1.00 0.00 ATOM 372 CB LEU 47 29.769 -7.073 17.681 1.00 0.00 ATOM 373 CG LEU 47 29.471 -6.456 16.323 1.00 0.00 ATOM 374 CD1 LEU 47 28.417 -5.363 16.458 1.00 0.00 ATOM 375 CD2 LEU 47 30.746 -5.915 15.740 1.00 0.00 ATOM 376 O LEU 47 27.137 -8.848 16.763 1.00 0.00 ATOM 377 C LEU 47 28.044 -8.917 17.606 1.00 0.00 ATOM 378 N LEU 48 28.627 -10.078 17.912 1.00 0.00 ATOM 379 CA LEU 48 28.177 -11.321 17.275 1.00 0.00 ATOM 380 CB LEU 48 29.093 -12.494 17.624 1.00 0.00 ATOM 381 CG LEU 48 30.442 -12.571 16.899 1.00 0.00 ATOM 382 CD1 LEU 48 31.419 -13.467 17.655 1.00 0.00 ATOM 383 CD2 LEU 48 30.249 -13.096 15.480 1.00 0.00 ATOM 384 O LEU 48 25.939 -12.071 16.794 1.00 0.00 ATOM 385 C LEU 48 26.727 -11.631 17.644 1.00 0.00 ATOM 386 N ASN 49 26.377 -11.399 18.905 1.00 0.00 ATOM 387 CA ASN 49 24.996 -11.584 19.360 1.00 0.00 ATOM 388 CB ASN 49 24.885 -11.291 20.840 1.00 0.00 ATOM 389 CG ASN 49 25.504 -12.393 21.696 1.00 0.00 ATOM 390 ND2 ASN 49 25.740 -12.086 22.961 1.00 0.00 ATOM 391 OD1 ASN 49 25.765 -13.500 21.212 1.00 0.00 ATOM 392 O ASN 49 22.969 -11.120 18.137 1.00 0.00 ATOM 393 C ASN 49 24.037 -10.678 18.586 1.00 0.00 ATOM 394 N ILE 50 24.454 -9.431 18.424 1.00 0.00 ATOM 395 CA ILE 50 23.666 -8.405 17.707 1.00 0.00 ATOM 396 CB ILE 50 24.352 -7.001 17.810 1.00 0.00 ATOM 397 CG1 ILE 50 24.296 -6.474 19.250 1.00 0.00 ATOM 398 CG2 ILE 50 23.733 -6.015 16.797 1.00 0.00 ATOM 399 CD1 ILE 50 25.186 -5.263 19.529 1.00 0.00 ATOM 400 O ILE 50 22.337 -8.788 15.732 1.00 0.00 ATOM 401 C ILE 50 23.463 -8.789 16.247 1.00 0.00 ATOM 402 N VAL 51 24.551 -9.134 15.567 1.00 0.00 ATOM 403 CA VAL 51 24.466 -9.504 14.159 1.00 0.00 ATOM 404 CB VAL 51 25.864 -9.722 13.539 1.00 0.00 ATOM 405 CG1 VAL 51 25.742 -10.100 12.077 1.00 0.00 ATOM 406 CG2 VAL 51 26.662 -8.449 13.653 1.00 0.00 ATOM 407 O VAL 51 22.786 -10.761 12.984 1.00 0.00 ATOM 408 C VAL 51 23.539 -10.704 13.959 1.00 0.00 ATOM 409 N ASP 52 23.560 -11.653 14.891 1.00 0.00 ATOM 410 CA ASP 52 22.678 -12.795 14.770 1.00 0.00 ATOM 411 CB ASP 52 22.949 -13.845 15.839 1.00 0.00 ATOM 412 CG ASP 52 22.367 -15.194 15.460 1.00 0.00 ATOM 413 OD1 ASP 52 22.636 -15.652 14.322 1.00 0.00 ATOM 414 OD2 ASP 52 21.638 -15.774 16.285 1.00 0.00 ATOM 415 O ASP 52 20.385 -13.063 14.192 1.00 0.00 ATOM 416 C ASP 52 21.213 -12.402 14.815 1.00 0.00 ATOM 417 N ARG 53 20.913 -11.319 15.520 1.00 0.00 ATOM 418 CA ARG 53 19.534 -10.915 15.779 1.00 0.00 ATOM 419 CB ARG 53 19.483 -10.137 17.093 1.00 0.00 ATOM 420 CG ARG 53 18.113 -10.026 17.691 1.00 0.00 ATOM 421 CD ARG 53 18.229 -9.794 19.178 1.00 0.00 ATOM 422 NE ARG 53 19.214 -10.689 19.771 1.00 0.00 ATOM 423 CZ ARG 53 19.227 -11.047 21.048 1.00 0.00 ATOM 424 NH1 ARG 53 20.183 -11.861 21.484 1.00 0.00 ATOM 425 NH2 ARG 53 18.295 -10.599 21.885 1.00 0.00 ATOM 426 O ARG 53 17.648 -10.036 14.574 1.00 0.00 ATOM 427 C ARG 53 18.883 -10.059 14.688 1.00 0.00 ATOM 428 N VAL 54 19.702 -9.337 13.924 1.00 0.00 ATOM 429 CA VAL 54 19.181 -8.355 12.962 1.00 0.00 ATOM 430 CB VAL 54 20.245 -7.306 12.507 1.00 0.00 ATOM 431 CG1 VAL 54 20.713 -6.460 13.685 1.00 0.00 ATOM 432 CG2 VAL 54 21.430 -7.964 11.789 1.00 0.00 ATOM 433 O VAL 54 18.844 -10.108 11.332 1.00 0.00 ATOM 434 C VAL 54 18.501 -9.002 11.743 1.00 0.00 ATOM 435 N ASP 55 17.498 -8.308 11.222 1.00 0.00 ATOM 436 CA ASP 55 16.908 -8.653 9.933 1.00 0.00 ATOM 437 CB ASP 55 15.479 -8.102 9.835 1.00 0.00 ATOM 438 CG ASP 55 14.837 -8.421 8.501 1.00 0.00 ATOM 439 OD1 ASP 55 14.243 -9.505 8.383 1.00 0.00 ATOM 440 OD2 ASP 55 14.965 -7.623 7.557 1.00 0.00 ATOM 441 O ASP 55 17.818 -6.777 8.730 1.00 0.00 ATOM 442 C ASP 55 17.791 -8.012 8.874 1.00 0.00 ATOM 443 N TRP 56 18.539 -8.858 8.147 1.00 0.00 ATOM 444 CA TRP 56 19.500 -8.374 7.162 1.00 0.00 ATOM 445 CB TRP 56 20.387 -9.509 6.635 1.00 0.00 ATOM 446 CG TRP 56 21.620 -8.977 5.992 1.00 0.00 ATOM 447 CD1 TRP 56 21.917 -8.988 4.665 1.00 0.00 ATOM 448 CD2 TRP 56 22.690 -8.271 6.641 1.00 0.00 ATOM 449 CE2 TRP 56 23.620 -7.918 5.638 1.00 0.00 ATOM 450 CE3 TRP 56 22.953 -7.907 7.974 1.00 0.00 ATOM 451 NE1 TRP 56 23.129 -8.378 4.445 1.00 0.00 ATOM 452 CZ2 TRP 56 24.803 -7.225 5.920 1.00 0.00 ATOM 453 CZ3 TRP 56 24.134 -7.233 8.258 1.00 0.00 ATOM 454 CH2 TRP 56 25.044 -6.888 7.230 1.00 0.00 ATOM 455 O TRP 56 19.384 -6.450 5.744 1.00 0.00 ATOM 456 C TRP 56 18.879 -7.530 6.025 1.00 0.00 ATOM 457 N PRO 57 17.782 -8.001 5.391 1.00 0.00 ATOM 458 CA PRO 57 17.151 -7.154 4.357 1.00 0.00 ATOM 459 CB PRO 57 15.889 -7.936 3.992 1.00 0.00 ATOM 460 CG PRO 57 16.341 -9.396 4.194 1.00 0.00 ATOM 461 CD PRO 57 17.098 -9.312 5.501 1.00 0.00 ATOM 462 O PRO 57 17.072 -4.746 4.119 1.00 0.00 ATOM 463 C PRO 57 16.838 -5.731 4.856 1.00 0.00 ATOM 464 N ALA 58 16.382 -5.604 6.107 1.00 0.00 ATOM 465 CA ALA 58 16.105 -4.263 6.668 1.00 0.00 ATOM 466 CB ALA 58 15.200 -4.350 7.893 1.00 0.00 ATOM 467 O ALA 58 17.358 -2.208 6.841 1.00 0.00 ATOM 468 C ALA 58 17.375 -3.439 6.959 1.00 0.00 ATOM 469 N VAL 59 18.461 -4.102 7.376 1.00 0.00 ATOM 470 CA VAL 59 19.751 -3.411 7.460 1.00 0.00 ATOM 471 CB VAL 59 20.880 -4.325 7.962 1.00 0.00 ATOM 472 CG1 VAL 59 22.252 -3.657 7.815 1.00 0.00 ATOM 473 CG2 VAL 59 20.653 -4.629 9.448 1.00 0.00 ATOM 474 O VAL 59 20.503 -1.689 5.985 1.00 0.00 ATOM 475 C VAL 59 20.097 -2.833 6.091 1.00 0.00 ATOM 476 N LEU 60 19.968 -3.648 5.048 1.00 0.00 ATOM 477 CA LEU 60 20.404 -3.230 3.721 1.00 0.00 ATOM 478 CB LEU 60 20.329 -4.402 2.745 1.00 0.00 ATOM 479 CG LEU 60 21.331 -5.534 2.961 1.00 0.00 ATOM 480 CD1 LEU 60 20.980 -6.611 1.953 1.00 0.00 ATOM 481 CD2 LEU 60 22.779 -5.042 2.768 1.00 0.00 ATOM 482 O LEU 60 20.141 -1.111 2.667 1.00 0.00 ATOM 483 C LEU 60 19.584 -2.053 3.213 1.00 0.00 ATOM 484 N THR 61 18.279 -2.111 3.447 1.00 0.00 ATOM 485 CA THR 61 17.331 -1.073 2.983 1.00 0.00 ATOM 486 CB THR 61 15.865 -1.521 3.225 1.00 0.00 ATOM 487 CG2 THR 61 14.835 -0.379 2.862 1.00 0.00 ATOM 488 OG1 THR 61 15.579 -2.686 2.419 1.00 0.00 ATOM 489 O THR 61 17.758 1.322 3.022 1.00 0.00 ATOM 490 C THR 61 17.632 0.260 3.677 1.00 0.00 ATOM 491 N VAL 62 17.761 0.218 5.003 1.00 0.00 ATOM 492 CA VAL 62 17.971 1.466 5.755 1.00 0.00 ATOM 493 CB VAL 62 17.695 1.242 7.236 1.00 0.00 ATOM 494 CG1 VAL 62 17.978 2.537 8.054 1.00 0.00 ATOM 495 CG2 VAL 62 16.237 0.757 7.388 1.00 0.00 ATOM 496 O VAL 62 19.533 3.254 5.283 1.00 0.00 ATOM 497 C VAL 62 19.369 2.047 5.476 1.00 0.00 ATOM 498 N ALA 63 20.375 1.175 5.424 1.00 0.00 ATOM 499 CA ALA 63 21.730 1.607 5.110 1.00 0.00 ATOM 500 CB ALA 63 22.673 0.432 5.079 1.00 0.00 ATOM 501 O ALA 63 22.401 3.420 3.718 1.00 0.00 ATOM 502 C ALA 63 21.789 2.362 3.784 1.00 0.00 ATOM 503 N ALA 64 21.144 1.819 2.744 1.00 0.00 ATOM 504 CA ALA 64 21.101 2.485 1.420 1.00 0.00 ATOM 505 CB ALA 64 20.424 1.605 0.363 1.00 0.00 ATOM 506 O ALA 64 20.906 4.835 0.966 1.00 0.00 ATOM 507 C ALA 64 20.418 3.843 1.515 1.00 0.00 ATOM 508 N GLU 65 19.296 3.896 2.222 1.00 0.00 ATOM 509 CA GLU 65 18.608 5.178 2.469 1.00 0.00 ATOM 510 CB GLU 65 17.364 4.983 3.353 1.00 0.00 ATOM 511 CG GLU 65 16.216 4.311 2.604 1.00 0.00 ATOM 512 CD GLU 65 15.107 3.780 3.507 1.00 0.00 ATOM 513 OE1 GLU 65 15.135 4.006 4.739 1.00 0.00 ATOM 514 OE2 GLU 65 14.198 3.120 2.957 1.00 0.00 ATOM 515 O GLU 65 19.508 7.404 2.705 1.00 0.00 ATOM 516 C GLU 65 19.551 6.227 3.078 1.00 0.00 ATOM 517 N LEU 66 20.419 5.780 3.978 1.00 0.00 ATOM 518 CA LEU 66 21.340 6.673 4.681 1.00 0.00 ATOM 519 CB LEU 66 21.486 6.200 6.135 1.00 0.00 ATOM 520 CG LEU 66 20.151 6.176 6.900 1.00 0.00 ATOM 521 CD1 LEU 66 20.394 5.759 8.341 1.00 0.00 ATOM 522 CD2 LEU 66 19.379 7.525 6.856 1.00 0.00 ATOM 523 O LEU 66 23.645 7.372 4.587 1.00 0.00 ATOM 524 C LEU 66 22.701 6.806 4.004 1.00 0.00 ATOM 525 N GLY 67 22.809 6.286 2.784 1.00 0.00 ATOM 526 CA GLY 67 24.000 6.487 1.956 1.00 0.00 ATOM 527 O GLY 67 26.257 5.762 1.581 1.00 0.00 ATOM 528 C GLY 67 25.139 5.486 2.062 1.00 0.00 ATOM 529 N ASN 68 24.874 4.329 2.667 1.00 0.00 ATOM 530 CA ASN 68 25.849 3.250 2.719 1.00 0.00 ATOM 531 CB ASN 68 25.985 2.698 4.133 1.00 0.00 ATOM 532 CG ASN 68 27.127 1.709 4.265 1.00 0.00 ATOM 533 ND2 ASN 68 27.721 1.658 5.453 1.00 0.00 ATOM 534 OD1 ASN 68 27.463 0.980 3.313 1.00 0.00 ATOM 535 O ASN 68 24.470 1.417 1.978 1.00 0.00 ATOM 536 C ASN 68 25.458 2.138 1.756 1.00 0.00 ATOM 537 N ASN 69 26.252 1.996 0.703 1.00 0.00 ATOM 538 CA ASN 69 25.982 0.992 -0.312 1.00 0.00 ATOM 539 CB ASN 69 25.725 1.693 -1.647 1.00 0.00 ATOM 540 CG ASN 69 24.457 2.542 -1.614 1.00 0.00 ATOM 541 ND2 ASN 69 24.625 3.867 -1.580 1.00 0.00 ATOM 542 OD1 ASN 69 23.338 2.007 -1.577 1.00 0.00 ATOM 543 O ASN 69 27.198 -0.751 -1.427 1.00 0.00 ATOM 544 C ASN 69 27.082 -0.073 -0.408 1.00 0.00 ATOM 545 N ALA 70 27.851 -0.230 0.666 1.00 0.00 ATOM 546 CA ALA 70 29.015 -1.120 0.654 1.00 0.00 ATOM 547 CB ALA 70 30.273 -0.368 1.133 1.00 0.00 ATOM 548 O ALA 70 29.770 -3.181 1.629 1.00 0.00 ATOM 549 C ALA 70 28.823 -2.433 1.419 1.00 0.00 ATOM 550 N LEU 71 27.588 -2.749 1.787 1.00 0.00 ATOM 551 CA LEU 71 27.310 -3.956 2.578 1.00 0.00 ATOM 552 CB LEU 71 26.096 -3.716 3.470 1.00 0.00 ATOM 553 CG LEU 71 26.221 -2.574 4.495 1.00 0.00 ATOM 554 CD1 LEU 71 24.841 -2.330 5.098 1.00 0.00 ATOM 555 CD2 LEU 71 27.258 -2.851 5.589 1.00 0.00 ATOM 556 O LEU 71 26.493 -5.036 0.593 1.00 0.00 ATOM 557 C LEU 71 27.046 -5.177 1.685 1.00 0.00 ATOM 558 N PRO 72 27.427 -6.390 2.153 1.00 0.00 ATOM 559 CA PRO 72 27.163 -7.583 1.332 1.00 0.00 ATOM 560 CB PRO 72 27.941 -8.677 2.057 1.00 0.00 ATOM 561 CG PRO 72 27.924 -8.228 3.535 1.00 0.00 ATOM 562 CD PRO 72 28.085 -6.729 3.428 1.00 0.00 ATOM 563 O PRO 72 25.004 -7.715 2.337 1.00 0.00 ATOM 564 C PRO 72 25.669 -7.937 1.326 1.00 0.00 ATOM 565 N PRO 73 25.139 -8.479 0.196 1.00 0.00 ATOM 566 CA PRO 73 23.724 -8.847 0.144 1.00 0.00 ATOM 567 CB PRO 73 23.507 -9.269 -1.309 1.00 0.00 ATOM 568 CG PRO 73 24.842 -9.529 -1.844 1.00 0.00 ATOM 569 CD PRO 73 25.803 -8.685 -1.107 1.00 0.00 ATOM 570 O PRO 73 22.144 -10.131 1.399 1.00 0.00 ATOM 571 C PRO 73 23.320 -9.978 1.109 1.00 0.00 ATOM 572 N THR 74 24.288 -10.747 1.596 1.00 0.00 ATOM 573 CA THR 74 24.011 -11.823 2.543 1.00 0.00 ATOM 574 CB THR 74 24.558 -13.163 1.994 1.00 0.00 ATOM 575 CG2 THR 74 24.462 -14.279 3.061 1.00 0.00 ATOM 576 OG1 THR 74 23.792 -13.551 0.846 1.00 0.00 ATOM 577 O THR 74 25.786 -11.042 3.921 1.00 0.00 ATOM 578 C THR 74 24.658 -11.499 3.889 1.00 0.00 ATOM 579 N LYS 75 23.932 -11.705 4.992 1.00 0.00 ATOM 580 CA LYS 75 24.477 -11.431 6.333 1.00 0.00 ATOM 581 CB LYS 75 23.478 -11.858 7.410 1.00 0.00 ATOM 582 CG LYS 75 23.895 -11.452 8.836 1.00 0.00 ATOM 583 CD LYS 75 23.074 -12.159 9.933 1.00 0.00 ATOM 584 CE LYS 75 21.653 -11.604 10.008 1.00 0.00 ATOM 585 NZ LYS 75 20.942 -12.077 11.217 1.00 0.00 ATOM 586 O LYS 75 25.877 -13.388 6.311 1.00 0.00 ATOM 587 C LYS 75 25.818 -12.176 6.542 1.00 0.00 ATOM 588 N PRO 76 26.897 -11.460 6.952 1.00 0.00 ATOM 589 CA PRO 76 28.125 -12.213 7.238 1.00 0.00 ATOM 590 CB PRO 76 29.060 -11.153 7.841 1.00 0.00 ATOM 591 CG PRO 76 28.584 -9.844 7.192 1.00 0.00 ATOM 592 CD PRO 76 27.078 -10.004 7.152 1.00 0.00 ATOM 593 O PRO 76 27.204 -13.162 9.238 1.00 0.00 ATOM 594 C PRO 76 27.897 -13.347 8.233 1.00 0.00 ATOM 595 N SER 77 28.481 -14.506 7.942 1.00 0.00 ATOM 596 CA SER 77 28.443 -15.644 8.855 1.00 0.00 ATOM 597 CB SER 77 28.010 -16.926 8.133 1.00 0.00 ATOM 598 OG SER 77 28.926 -17.262 7.122 1.00 0.00 ATOM 599 O SER 77 30.855 -15.493 8.934 1.00 0.00 ATOM 600 C SER 77 29.807 -15.811 9.519 1.00 0.00 ATOM 601 N PHE 78 29.780 -16.278 10.761 1.00 0.00 ATOM 602 CA PHE 78 30.984 -16.340 11.581 1.00 0.00 ATOM 603 CB PHE 78 30.943 -15.257 12.650 1.00 0.00 ATOM 604 CG PHE 78 30.913 -13.863 12.109 1.00 0.00 ATOM 605 CD1 PHE 78 32.082 -13.246 11.695 1.00 0.00 ATOM 606 CD2 PHE 78 29.715 -13.168 12.019 1.00 0.00 ATOM 607 CE1 PHE 78 32.059 -11.953 11.195 1.00 0.00 ATOM 608 CE2 PHE 78 29.683 -11.875 11.541 1.00 0.00 ATOM 609 CZ PHE 78 30.862 -11.264 11.122 1.00 0.00 ATOM 610 O PHE 78 30.046 -18.353 12.471 1.00 0.00 ATOM 611 C PHE 78 31.071 -17.683 12.283 1.00 0.00 ATOM 612 N PRO 79 32.292 -18.076 12.685 1.00 0.00 ATOM 613 CA PRO 79 32.432 -19.336 13.422 1.00 0.00 ATOM 614 CB PRO 79 33.949 -19.566 13.441 1.00 0.00 ATOM 615 CG PRO 79 34.550 -18.205 13.297 1.00 0.00 ATOM 616 CD PRO 79 33.589 -17.398 12.469 1.00 0.00 ATOM 617 O PRO 79 31.442 -18.184 15.285 1.00 0.00 ATOM 618 C PRO 79 31.828 -19.261 14.836 1.00 0.00 ATOM 619 N SER 80 31.744 -20.406 15.516 1.00 0.00 ATOM 620 CA SER 80 31.043 -20.526 16.812 1.00 0.00 ATOM 621 CB SER 80 30.657 -21.988 17.081 1.00 0.00 ATOM 622 OG SER 80 29.715 -22.451 16.126 1.00 0.00 ATOM 623 O SER 80 31.162 -19.769 19.086 1.00 0.00 ATOM 624 C SER 80 31.777 -19.956 18.031 1.00 0.00 ATOM 625 N SER 81 33.076 -19.680 17.883 1.00 0.00 ATOM 626 CA SER 81 33.908 -19.143 18.965 1.00 0.00 ATOM 627 CB SER 81 34.757 -20.268 19.576 1.00 0.00 ATOM 628 OG SER 81 36.146 -19.977 19.530 1.00 0.00 ATOM 629 O SER 81 35.166 -17.906 17.338 1.00 0.00 ATOM 630 C SER 81 34.788 -17.979 18.507 1.00 0.00 ATOM 631 N ILE 82 35.122 -17.078 19.429 1.00 0.00 ATOM 632 CA ILE 82 35.997 -15.951 19.097 1.00 0.00 ATOM 633 CB ILE 82 36.149 -14.901 20.249 1.00 0.00 ATOM 634 CG1 ILE 82 37.207 -13.847 19.865 1.00 0.00 ATOM 635 CG2 ILE 82 36.474 -15.577 21.576 1.00 0.00 ATOM 636 CD1 ILE 82 37.425 -12.721 20.855 1.00 0.00 ATOM 637 O ILE 82 37.950 -15.842 17.717 1.00 0.00 ATOM 638 C ILE 82 37.370 -16.437 18.622 1.00 0.00 ATOM 639 N GLN 83 37.862 -17.524 19.222 1.00 0.00 ATOM 640 CA GLN 83 39.174 -18.098 18.879 1.00 0.00 ATOM 641 CB GLN 83 39.469 -19.342 19.728 1.00 0.00 ATOM 642 CG GLN 83 39.568 -19.092 21.226 1.00 0.00 ATOM 643 CD GLN 83 39.778 -20.384 22.030 1.00 0.00 ATOM 644 OE1 GLN 83 40.054 -21.460 21.465 1.00 0.00 ATOM 645 NE2 GLN 83 39.656 -20.279 23.356 1.00 0.00 ATOM 646 O GLN 83 40.415 -18.404 16.832 1.00 0.00 ATOM 647 C GLN 83 39.312 -18.456 17.394 1.00 0.00 ATOM 648 N GLU 84 38.199 -18.822 16.765 1.00 0.00 ATOM 649 CA GLU 84 38.213 -19.268 15.377 1.00 0.00 ATOM 650 CB GLU 84 37.086 -20.275 15.111 1.00 0.00 ATOM 651 CG GLU 84 36.937 -21.389 16.137 1.00 0.00 ATOM 652 CD GLU 84 35.582 -22.072 16.054 1.00 0.00 ATOM 653 OE1 GLU 84 34.736 -21.857 16.962 1.00 0.00 ATOM 654 OE2 GLU 84 35.356 -22.823 15.077 1.00 0.00 ATOM 655 O GLU 84 38.215 -18.352 13.164 1.00 0.00 ATOM 656 C GLU 84 38.105 -18.119 14.363 1.00 0.00 ATOM 657 N LEU 85 37.894 -16.895 14.845 1.00 0.00 ATOM 658 CA LEU 85 37.721 -15.736 13.959 1.00 0.00 ATOM 659 CB LEU 85 37.267 -14.505 14.765 1.00 0.00 ATOM 660 CG LEU 85 35.849 -14.442 15.358 1.00 0.00 ATOM 661 CD1 LEU 85 35.703 -13.233 16.257 1.00 0.00 ATOM 662 CD2 LEU 85 34.812 -14.391 14.267 1.00 0.00 ATOM 663 O LEU 85 40.081 -15.360 13.826 1.00 0.00 ATOM 664 C LEU 85 39.014 -15.399 13.218 1.00 0.00 ATOM 665 N THR 86 38.903 -15.136 11.915 1.00 0.00 ATOM 666 CA THR 86 40.048 -14.670 11.108 1.00 0.00 ATOM 667 CB THR 86 39.871 -15.006 9.612 1.00 0.00 ATOM 668 CG2 THR 86 39.680 -16.500 9.382 1.00 0.00 ATOM 669 OG1 THR 86 38.750 -14.269 9.084 1.00 0.00 ATOM 670 O THR 86 39.389 -12.442 11.778 1.00 0.00 ATOM 671 C THR 86 40.247 -13.148 11.238 1.00 0.00 ATOM 672 N ASP 87 41.373 -12.639 10.736 1.00 0.00 ATOM 673 CA ASP 87 41.563 -11.191 10.637 1.00 0.00 ATOM 674 CB ASP 87 42.960 -10.832 10.093 1.00 0.00 ATOM 675 CG ASP 87 44.110 -11.231 11.055 1.00 0.00 ATOM 676 OD1 ASP 87 44.051 -10.915 12.264 1.00 0.00 ATOM 677 OD2 ASP 87 45.097 -11.860 10.588 1.00 0.00 ATOM 678 O ASP 87 39.957 -9.485 10.039 1.00 0.00 ATOM 679 C ASP 87 40.464 -10.582 9.756 1.00 0.00 ATOM 680 N ASP 88 40.088 -11.299 8.699 1.00 0.00 ATOM 681 CA ASP 88 39.062 -10.789 7.791 1.00 0.00 ATOM 682 CB ASP 88 38.984 -11.615 6.506 1.00 0.00 ATOM 683 CG ASP 88 40.148 -11.328 5.542 1.00 0.00 ATOM 684 OD1 ASP 88 40.879 -10.314 5.728 1.00 0.00 ATOM 685 OD2 ASP 88 40.329 -12.129 4.591 1.00 0.00 ATOM 686 O ASP 88 36.987 -9.752 8.351 1.00 0.00 ATOM 687 C ASP 88 37.716 -10.731 8.506 1.00 0.00 ATOM 688 N ASP 89 37.402 -11.763 9.298 1.00 0.00 ATOM 689 CA ASP 89 36.194 -11.766 10.147 1.00 0.00 ATOM 690 CB ASP 89 36.114 -13.046 11.011 1.00 0.00 ATOM 691 CG ASP 89 35.754 -14.290 10.220 1.00 0.00 ATOM 692 OD1 ASP 89 35.085 -14.182 9.163 1.00 0.00 ATOM 693 OD2 ASP 89 36.156 -15.394 10.675 1.00 0.00 ATOM 694 O ASP 89 35.168 -9.852 11.243 1.00 0.00 ATOM 695 C ASP 89 36.189 -10.549 11.085 1.00 0.00 ATOM 696 N MET 90 37.329 -10.295 11.722 1.00 0.00 ATOM 697 CA MET 90 37.443 -9.177 12.661 1.00 0.00 ATOM 698 CB MET 90 38.784 -9.233 13.392 1.00 0.00 ATOM 699 CG MET 90 38.765 -10.126 14.631 1.00 0.00 ATOM 700 SD MET 90 37.682 -9.469 15.943 1.00 0.00 ATOM 701 CE MET 90 38.623 -8.046 16.479 1.00 0.00 ATOM 702 O MET 90 36.649 -6.905 12.571 1.00 0.00 ATOM 703 C MET 90 37.253 -7.821 11.988 1.00 0.00 ATOM 704 N ALA 91 37.754 -7.701 10.762 1.00 0.00 ATOM 705 CA ALA 91 37.610 -6.463 9.997 1.00 0.00 ATOM 706 CB ALA 91 38.439 -6.515 8.737 1.00 0.00 ATOM 707 O ALA 91 35.654 -5.082 9.784 1.00 0.00 ATOM 708 C ALA 91 36.141 -6.213 9.668 1.00 0.00 ATOM 709 N ILE 92 35.438 -7.279 9.283 1.00 0.00 ATOM 710 CA ILE 92 33.982 -7.219 9.074 1.00 0.00 ATOM 711 CB ILE 92 33.412 -8.549 8.507 1.00 0.00 ATOM 712 CG1 ILE 92 34.020 -8.837 7.121 1.00 0.00 ATOM 713 CG2 ILE 92 31.880 -8.500 8.471 1.00 0.00 ATOM 714 CD1 ILE 92 33.795 -10.239 6.594 1.00 0.00 ATOM 715 O ILE 92 32.449 -5.923 10.385 1.00 0.00 ATOM 716 C ILE 92 33.284 -6.826 10.382 1.00 0.00 ATOM 717 N LEU 93 33.626 -7.481 11.489 1.00 0.00 ATOM 718 CA LEU 93 33.047 -7.113 12.788 1.00 0.00 ATOM 719 CB LEU 93 33.542 -8.038 13.910 1.00 0.00 ATOM 720 CG LEU 93 32.867 -9.419 13.928 1.00 0.00 ATOM 721 CD1 LEU 93 33.600 -10.393 14.827 1.00 0.00 ATOM 722 CD2 LEU 93 31.354 -9.357 14.303 1.00 0.00 ATOM 723 O LEU 93 32.313 -4.944 13.560 1.00 0.00 ATOM 724 C LEU 93 33.255 -5.635 13.126 1.00 0.00 ATOM 725 N ASN 94 34.467 -5.140 12.891 1.00 0.00 ATOM 726 CA ASN 94 34.766 -3.737 13.126 1.00 0.00 ATOM 727 CB ASN 94 36.247 -3.448 12.915 1.00 0.00 ATOM 728 CG ASN 94 37.030 -3.555 14.200 1.00 0.00 ATOM 729 ND2 ASN 94 37.794 -4.638 14.349 1.00 0.00 ATOM 730 OD1 ASN 94 36.931 -2.671 15.075 1.00 0.00 ATOM 731 O ASN 94 33.397 -1.818 12.811 1.00 0.00 ATOM 732 C ASN 94 33.897 -2.809 12.292 1.00 0.00 ATOM 733 N ASP 95 33.715 -3.148 11.016 1.00 0.00 ATOM 734 CA ASP 95 32.845 -2.371 10.138 1.00 0.00 ATOM 735 CB ASP 95 32.933 -2.863 8.692 1.00 0.00 ATOM 736 CG ASP 95 34.218 -2.422 7.985 1.00 0.00 ATOM 737 OD1 ASP 95 34.878 -1.458 8.437 1.00 0.00 ATOM 738 OD2 ASP 95 34.546 -3.047 6.952 1.00 0.00 ATOM 739 O ASP 95 30.704 -1.374 10.602 1.00 0.00 ATOM 740 C ASP 95 31.388 -2.399 10.630 1.00 0.00 ATOM 741 N LEU 96 30.936 -3.557 11.106 1.00 0.00 ATOM 742 CA LEU 96 29.555 -3.682 11.616 1.00 0.00 ATOM 743 CB LEU 96 29.150 -5.150 11.775 1.00 0.00 ATOM 744 CG LEU 96 29.076 -5.943 10.461 1.00 0.00 ATOM 745 CD1 LEU 96 28.757 -7.394 10.700 1.00 0.00 ATOM 746 CD2 LEU 96 28.069 -5.342 9.482 1.00 0.00 ATOM 747 O LEU 96 28.283 -2.341 13.181 1.00 0.00 ATOM 748 C LEU 96 29.358 -2.899 12.922 1.00 0.00 ATOM 749 N HIS 97 30.408 -2.844 13.735 1.00 0.00 ATOM 750 CA HIS 97 30.393 -2.054 14.956 1.00 0.00 ATOM 751 CB HIS 97 31.709 -2.233 15.707 1.00 0.00 ATOM 752 CG HIS 97 31.799 -1.428 16.964 1.00 0.00 ATOM 753 CD2 HIS 97 32.467 -0.285 17.244 1.00 0.00 ATOM 754 ND1 HIS 97 31.140 -1.781 18.119 1.00 0.00 ATOM 755 CE1 HIS 97 31.404 -0.890 19.063 1.00 0.00 ATOM 756 NE2 HIS 97 32.203 0.030 18.555 1.00 0.00 ATOM 757 O HIS 97 29.315 0.099 15.117 1.00 0.00 ATOM 758 C HIS 97 30.182 -0.589 14.569 1.00 0.00 ATOM 759 N THR 98 30.932 -0.129 13.574 1.00 0.00 ATOM 760 CA THR 98 30.855 1.272 13.140 1.00 0.00 ATOM 761 CB THR 98 31.947 1.603 12.108 1.00 0.00 ATOM 762 CG2 THR 98 31.843 3.058 11.655 1.00 0.00 ATOM 763 OG1 THR 98 33.231 1.376 12.713 1.00 0.00 ATOM 764 O THR 98 28.867 2.601 12.994 1.00 0.00 ATOM 765 C THR 98 29.462 1.588 12.614 1.00 0.00 ATOM 766 N LEU 99 28.925 0.679 11.804 1.00 0.00 ATOM 767 CA LEU 99 27.603 0.867 11.221 1.00 0.00 ATOM 768 CB LEU 99 27.355 -0.155 10.120 1.00 0.00 ATOM 769 CG LEU 99 25.970 -0.025 9.475 1.00 0.00 ATOM 770 CD1 LEU 99 25.852 1.327 8.779 1.00 0.00 ATOM 771 CD2 LEU 99 25.735 -1.148 8.507 1.00 0.00 ATOM 772 O LEU 99 25.670 1.772 12.325 1.00 0.00 ATOM 773 C LEU 99 26.471 0.830 12.242 1.00 0.00 ATOM 774 N LEU 100 26.409 -0.252 13.021 1.00 0.00 ATOM 775 CA LEU 100 25.229 -0.530 13.838 1.00 0.00 ATOM 776 CB LEU 100 25.127 -2.041 14.125 1.00 0.00 ATOM 777 CG LEU 100 24.941 -2.981 12.921 1.00 0.00 ATOM 778 CD1 LEU 100 25.009 -4.466 13.365 1.00 0.00 ATOM 779 CD2 LEU 100 23.638 -2.728 12.142 1.00 0.00 ATOM 780 O LEU 100 24.165 0.689 15.608 1.00 0.00 ATOM 781 C LEU 100 25.216 0.257 15.148 1.00 0.00 ATOM 782 N LEU 101 26.394 0.418 15.750 1.00 0.00 ATOM 783 CA LEU 101 26.500 0.975 17.098 1.00 0.00 ATOM 784 CB LEU 101 27.290 0.037 18.026 1.00 0.00 ATOM 785 CG LEU 101 26.707 -1.352 18.285 1.00 0.00 ATOM 786 CD1 LEU 101 27.616 -2.142 19.249 1.00 0.00 ATOM 787 CD2 LEU 101 25.242 -1.275 18.819 1.00 0.00 ATOM 788 O LEU 101 26.574 3.194 17.947 1.00 0.00 ATOM 789 C LEU 101 27.072 2.382 17.166 1.00 0.00 ATOM 790 N GLN 102 28.112 2.679 16.382 1.00 0.00 ATOM 791 CA GLN 102 28.741 4.020 16.476 1.00 0.00 ATOM 792 CB GLN 102 30.234 3.975 16.123 1.00 0.00 ATOM 793 CG GLN 102 31.080 3.194 17.114 1.00 0.00 ATOM 794 CD GLN 102 32.559 3.266 16.807 1.00 0.00 ATOM 795 OE1 GLN 102 32.966 3.405 15.651 1.00 0.00 ATOM 796 NE2 GLN 102 33.378 3.167 17.848 1.00 0.00 ATOM 797 O GLN 102 28.250 6.290 15.848 1.00 0.00 ATOM 798 C GLN 102 28.039 5.087 15.636 1.00 0.00 ATOM 799 N THR 103 27.222 4.654 14.687 1.00 0.00 ATOM 800 CA THR 103 26.514 5.584 13.820 1.00 0.00 ATOM 801 CB THR 103 26.455 5.089 12.351 1.00 0.00 ATOM 802 CG2 THR 103 25.799 6.145 11.446 1.00 0.00 ATOM 803 OG1 THR 103 27.786 4.834 11.879 1.00 0.00 ATOM 804 O THR 103 24.310 4.935 14.560 1.00 0.00 ATOM 805 C THR 103 25.117 5.858 14.378 1.00 0.00 ATOM 806 N SER 104 24.856 7.129 14.665 1.00 0.00 ATOM 807 CA SER 104 23.551 7.554 15.173 1.00 0.00 ATOM 808 CB SER 104 23.677 8.130 16.585 1.00 0.00 ATOM 809 OG SER 104 23.760 7.084 17.558 1.00 0.00 ATOM 810 O SER 104 23.548 9.425 13.653 1.00 0.00 ATOM 811 C SER 104 22.878 8.584 14.281 1.00 0.00 ATOM 812 N ILE 105 21.552 8.527 14.256 1.00 0.00 ATOM 813 CA ILE 105 20.751 9.609 13.685 1.00 0.00 ATOM 814 CB ILE 105 19.420 9.110 13.102 1.00 0.00 ATOM 815 CG1 ILE 105 19.670 8.004 12.070 1.00 0.00 ATOM 816 CG2 ILE 105 18.651 10.287 12.479 1.00 0.00 ATOM 817 CD1 ILE 105 18.396 7.267 11.620 1.00 0.00 ATOM 818 O ILE 105 19.782 10.345 15.756 1.00 0.00 ATOM 819 C ILE 105 20.471 10.635 14.784 1.00 0.00 ATOM 820 N ALA 106 21.040 11.826 14.632 1.00 0.00 ATOM 821 CA ALA 106 20.790 12.913 15.576 1.00 0.00 ATOM 822 CB ALA 106 21.940 13.902 15.562 1.00 0.00 ATOM 823 O ALA 106 18.797 14.069 16.211 1.00 0.00 ATOM 824 C ALA 106 19.482 13.635 15.291 1.00 0.00 ATOM 825 N GLU 107 19.152 13.780 14.015 1.00 0.00 ATOM 826 CA GLU 107 17.959 14.506 13.603 1.00 0.00 ATOM 827 CB GLU 107 18.299 15.972 13.327 1.00 0.00 ATOM 828 CG GLU 107 17.247 16.954 13.848 1.00 0.00 ATOM 829 CD GLU 107 17.301 17.144 15.377 1.00 0.00 ATOM 830 OE1 GLU 107 16.244 17.384 15.973 1.00 0.00 ATOM 831 OE2 GLU 107 18.389 17.061 15.982 1.00 0.00 ATOM 832 O GLU 107 18.271 13.452 11.492 1.00 0.00 ATOM 833 C GLU 107 17.469 13.849 12.328 1.00 0.00 ATOM 834 N GLY 108 16.161 13.726 12.176 1.00 0.00 ATOM 835 CA GLY 108 15.655 13.130 10.956 1.00 0.00 ATOM 836 O GLY 108 13.411 13.284 11.788 1.00 0.00 ATOM 837 C GLY 108 14.180 12.850 10.914 1.00 0.00 ATOM 838 N GLU 109 13.799 12.124 9.865 1.00 0.00 ATOM 839 CA GLU 109 12.410 11.907 9.534 1.00 0.00 ATOM 840 CB GLU 109 11.948 12.983 8.544 1.00 0.00 ATOM 841 CG GLU 109 10.465 12.997 8.278 1.00 0.00 ATOM 842 CD GLU 109 10.036 14.071 7.261 1.00 0.00 ATOM 843 OE1 GLU 109 10.474 15.235 7.375 1.00 0.00 ATOM 844 OE2 GLU 109 9.241 13.727 6.354 1.00 0.00 ATOM 845 O GLU 109 13.147 10.162 8.070 1.00 0.00 ATOM 846 C GLU 109 12.296 10.537 8.880 1.00 0.00 ATOM 847 N MET 110 11.242 9.810 9.215 1.00 0.00 ATOM 848 CA MET 110 10.993 8.516 8.596 1.00 0.00 ATOM 849 CB MET 110 11.754 7.389 9.319 1.00 0.00 ATOM 850 CG MET 110 11.282 7.098 10.732 1.00 0.00 ATOM 851 SD MET 110 11.873 8.331 11.894 1.00 0.00 ATOM 852 CE MET 110 11.792 7.425 13.476 1.00 0.00 ATOM 853 O MET 110 8.778 8.644 9.484 1.00 0.00 ATOM 854 C MET 110 9.513 8.218 8.583 1.00 0.00 ATOM 855 N LYS 111 9.078 7.476 7.570 1.00 0.00 ATOM 856 CA LYS 111 7.654 7.208 7.390 1.00 0.00 ATOM 857 CB LYS 111 7.100 8.005 6.207 1.00 0.00 ATOM 858 CG LYS 111 7.466 7.506 4.813 1.00 0.00 ATOM 859 CD LYS 111 6.641 8.281 3.794 1.00 0.00 ATOM 860 CE LYS 111 6.927 7.815 2.375 1.00 0.00 ATOM 861 NZ LYS 111 5.989 8.488 1.414 1.00 0.00 ATOM 862 O LYS 111 8.067 4.877 6.906 1.00 0.00 ATOM 863 C LYS 111 7.266 5.736 7.277 1.00 0.00 ATOM 864 N CYS 112 6.006 5.448 7.597 1.00 0.00 ATOM 865 CA CYS 112 5.495 4.104 7.418 1.00 0.00 ATOM 866 CB CYS 112 4.245 3.879 8.262 1.00 0.00 ATOM 867 SG CYS 112 3.428 2.300 7.916 1.00 0.00 ATOM 868 O CYS 112 4.414 4.653 5.336 1.00 0.00 ATOM 869 C CYS 112 5.184 3.889 5.934 1.00 0.00 ATOM 870 N ARG 113 5.762 2.837 5.355 1.00 0.00 ATOM 871 CA ARG 113 5.542 2.508 3.937 1.00 0.00 ATOM 872 CB ARG 113 6.538 1.433 3.451 1.00 0.00 ATOM 873 CG ARG 113 8.015 1.886 3.379 1.00 0.00 ATOM 874 CD ARG 113 8.975 0.656 3.319 1.00 0.00 ATOM 875 NE ARG 113 10.238 0.860 4.038 1.00 0.00 ATOM 876 CZ ARG 113 11.373 1.279 3.472 1.00 0.00 ATOM 877 NH1 ARG 113 11.418 1.537 2.166 1.00 0.00 ATOM 878 NH2 ARG 113 12.466 1.449 4.208 1.00 0.00 ATOM 879 O ARG 113 3.655 2.158 2.489 1.00 0.00 ATOM 880 C ARG 113 4.097 2.072 3.635 1.00 0.00 ATOM 881 N ASN 114 3.384 1.596 4.656 1.00 0.00 ATOM 882 CA ASN 114 1.986 1.191 4.502 1.00 0.00 ATOM 883 CB ASN 114 1.614 0.135 5.540 1.00 0.00 ATOM 884 CG ASN 114 0.250 -0.479 5.279 1.00 0.00 ATOM 885 ND2 ASN 114 -0.607 -0.470 6.295 1.00 0.00 ATOM 886 OD1 ASN 114 -0.042 -0.923 4.158 1.00 0.00 ATOM 887 O ASN 114 0.020 2.337 3.759 1.00 0.00 ATOM 888 C ASN 114 0.963 2.324 4.549 1.00 0.00 ATOM 889 N CYS 115 1.122 3.247 5.494 1.00 0.00 ATOM 890 CA CYS 115 0.085 4.263 5.756 1.00 0.00 ATOM 891 CB CYS 115 -0.505 4.076 7.161 1.00 0.00 ATOM 892 SG CYS 115 0.505 4.726 8.520 1.00 0.00 ATOM 893 O CYS 115 -0.179 6.665 5.588 1.00 0.00 ATOM 894 C CYS 115 0.601 5.691 5.564 1.00 0.00 ATOM 895 N GLY 116 1.913 5.824 5.376 1.00 0.00 ATOM 896 CA GLY 116 2.519 7.123 5.128 1.00 0.00 ATOM 897 O GLY 116 3.117 9.135 6.232 1.00 0.00 ATOM 898 C GLY 116 2.700 7.994 6.365 1.00 0.00 ATOM 899 N HIS 117 2.383 7.474 7.565 1.00 0.00 ATOM 900 CA HIS 117 2.571 8.240 8.823 1.00 0.00 ATOM 901 CB HIS 117 2.227 7.398 10.061 1.00 0.00 ATOM 902 CG HIS 117 2.132 8.194 11.333 1.00 0.00 ATOM 903 CD2 HIS 117 3.088 8.767 12.101 1.00 0.00 ATOM 904 ND1 HIS 117 0.927 8.482 11.944 1.00 0.00 ATOM 905 CE1 HIS 117 1.151 9.194 13.036 1.00 0.00 ATOM 906 NE2 HIS 117 2.454 9.380 13.154 1.00 0.00 ATOM 907 O HIS 117 4.947 7.918 8.864 1.00 0.00 ATOM 908 C HIS 117 4.017 8.728 8.944 1.00 0.00 ATOM 909 N ILE 118 4.200 10.026 9.164 1.00 0.00 ATOM 910 CA ILE 118 5.546 10.573 9.310 1.00 0.00 ATOM 911 CB ILE 118 5.716 11.919 8.580 1.00 0.00 ATOM 912 CG1 ILE 118 5.313 11.765 7.100 1.00 0.00 ATOM 913 CG2 ILE 118 7.147 12.433 8.761 1.00 0.00 ATOM 914 CD1 ILE 118 5.105 13.079 6.325 1.00 0.00 ATOM 915 O ILE 118 5.355 11.369 11.588 1.00 0.00 ATOM 916 C ILE 118 5.991 10.692 10.772 1.00 0.00 ATOM 917 N TYR 119 7.107 10.035 11.079 1.00 0.00 ATOM 918 CA TYR 119 7.737 10.125 12.395 1.00 0.00 ATOM 919 CB TYR 119 8.097 8.720 12.883 1.00 0.00 ATOM 920 CG TYR 119 6.890 7.797 12.975 1.00 0.00 ATOM 921 CD1 TYR 119 6.044 7.843 14.075 1.00 0.00 ATOM 922 CD2 TYR 119 6.602 6.886 11.944 1.00 0.00 ATOM 923 CE1 TYR 119 4.936 6.994 14.165 1.00 0.00 ATOM 924 CE2 TYR 119 5.488 6.024 12.023 1.00 0.00 ATOM 925 CZ TYR 119 4.656 6.100 13.154 1.00 0.00 ATOM 926 OH TYR 119 3.546 5.260 13.276 1.00 0.00 ATOM 927 O TYR 119 9.546 11.211 11.277 1.00 0.00 ATOM 928 C TYR 119 8.998 10.985 12.351 1.00 0.00 ATOM 929 N TYR 120 9.453 11.430 13.524 1.00 0.00 ATOM 930 CA TYR 120 10.637 12.304 13.651 1.00 0.00 ATOM 931 CB TYR 120 10.211 13.754 13.973 1.00 0.00 ATOM 932 CG TYR 120 9.289 14.307 12.919 1.00 0.00 ATOM 933 CD1 TYR 120 9.798 14.840 11.739 1.00 0.00 ATOM 934 CD2 TYR 120 7.910 14.285 13.092 1.00 0.00 ATOM 935 CE1 TYR 120 8.970 15.318 10.751 1.00 0.00 ATOM 936 CE2 TYR 120 7.063 14.769 12.102 1.00 0.00 ATOM 937 CZ TYR 120 7.608 15.283 10.936 1.00 0.00 ATOM 938 OH TYR 120 6.776 15.767 9.960 1.00 0.00 ATOM 939 O TYR 120 11.278 11.137 15.662 1.00 0.00 ATOM 940 C TYR 120 11.635 11.825 14.692 1.00 0.00 ATOM 941 N ILE 121 12.902 12.162 14.460 1.00 0.00 ATOM 942 CA ILE 121 13.955 11.967 15.427 1.00 0.00 ATOM 943 CB ILE 121 15.069 11.050 14.885 1.00 0.00 ATOM 944 CG1 ILE 121 14.554 9.623 14.697 1.00 0.00 ATOM 945 CG2 ILE 121 16.278 11.021 15.818 1.00 0.00 ATOM 946 CD1 ILE 121 15.306 8.865 13.609 1.00 0.00 ATOM 947 O ILE 121 14.877 14.106 14.838 1.00 0.00 ATOM 948 C ILE 121 14.496 13.356 15.746 1.00 0.00 ATOM 949 N LYS 122 14.491 13.690 17.039 1.00 0.00 ATOM 950 CA LYS 122 14.935 14.996 17.512 1.00 0.00 ATOM 951 CB LYS 122 13.751 15.851 17.991 1.00 0.00 ATOM 952 CG LYS 122 14.155 17.280 18.327 1.00 0.00 ATOM 953 CD LYS 122 13.098 18.040 19.134 1.00 0.00 ATOM 954 CE LYS 122 13.349 19.540 19.048 1.00 0.00 ATOM 955 NZ LYS 122 13.427 19.956 17.611 1.00 0.00 ATOM 956 O LYS 122 15.667 14.077 19.604 1.00 0.00 ATOM 957 C LYS 122 15.942 14.795 18.642 1.00 0.00 ATOM 958 N ASN 123 17.114 15.409 18.486 1.00 0.00 ATOM 959 CA ASN 123 18.218 15.234 19.430 1.00 0.00 ATOM 960 CB ASN 123 17.951 16.042 20.711 1.00 0.00 ATOM 961 CG ASN 123 17.610 17.497 20.424 1.00 0.00 ATOM 962 ND2 ASN 123 18.552 18.215 19.837 1.00 0.00 ATOM 963 OD1 ASN 123 16.499 17.960 20.706 1.00 0.00 ATOM 964 O ASN 123 18.659 13.363 20.911 1.00 0.00 ATOM 965 C ASN 123 18.454 13.753 19.742 1.00 0.00 ATOM 966 N GLY 124 18.389 12.929 18.690 1.00 0.00 ATOM 967 CA GLY 124 18.678 11.494 18.789 1.00 0.00 ATOM 968 O GLY 124 17.621 9.434 19.366 1.00 0.00 ATOM 969 C GLY 124 17.506 10.656 19.273 1.00 0.00 ATOM 970 N ILE 125 16.373 11.305 19.555 1.00 0.00 ATOM 971 CA ILE 125 15.202 10.630 20.153 1.00 0.00 ATOM 972 CB ILE 125 14.735 11.309 21.502 1.00 0.00 ATOM 973 CG1 ILE 125 15.894 11.391 22.510 1.00 0.00 ATOM 974 CG2 ILE 125 13.572 10.517 22.105 1.00 0.00 ATOM 975 CD1 ILE 125 15.683 12.402 23.657 1.00 0.00 ATOM 976 O ILE 125 13.489 11.583 18.774 1.00 0.00 ATOM 977 C ILE 125 14.014 10.548 19.193 1.00 0.00 ATOM 978 N PRO 126 13.559 9.314 18.872 1.00 0.00 ATOM 979 CA PRO 126 12.406 9.155 17.984 1.00 0.00 ATOM 980 CB PRO 126 12.473 7.671 17.595 1.00 0.00 ATOM 981 CG PRO 126 13.088 7.014 18.798 1.00 0.00 ATOM 982 CD PRO 126 14.077 8.013 19.346 1.00 0.00 ATOM 983 O PRO 126 11.006 9.314 19.944 1.00 0.00 ATOM 984 C PRO 126 11.090 9.467 18.719 1.00 0.00 ATOM 985 N ASN 127 10.074 9.908 17.987 1.00 0.00 ATOM 986 CA ASN 127 8.800 10.222 18.625 1.00 0.00 ATOM 987 CB ASN 127 8.213 11.534 18.078 1.00 0.00 ATOM 988 CG ASN 127 7.651 11.391 16.671 1.00 0.00 ATOM 989 ND2 ASN 127 6.734 12.284 16.312 1.00 0.00 ATOM 990 OD1 ASN 127 8.028 10.496 15.929 1.00 0.00 ATOM 991 O ASN 127 6.604 9.239 18.602 1.00 0.00 ATOM 992 C ASN 127 7.819 9.049 18.532 1.00 0.00 ATOM 993 N LEU 128 8.397 7.853 18.394 1.00 0.00 ATOM 994 CA LEU 128 7.732 6.544 18.303 1.00 0.00 ATOM 995 CB LEU 128 8.094 5.920 16.931 1.00 0.00 ATOM 996 CG LEU 128 7.579 4.619 16.339 1.00 0.00 ATOM 997 CD1 LEU 128 6.079 4.565 16.451 1.00 0.00 ATOM 998 CD2 LEU 128 7.978 4.410 14.895 1.00 0.00 ATOM 999 O LEU 128 9.491 5.762 19.746 1.00 0.00 ATOM 1000 C LEU 128 8.300 5.699 19.471 1.00 0.00 ATOM 1001 N LEU 129 7.472 4.916 20.167 1.00 0.00 ATOM 1002 CA LEU 129 7.949 4.220 21.383 1.00 0.00 ATOM 1003 CB LEU 129 6.783 3.548 22.120 1.00 0.00 ATOM 1004 CG LEU 129 6.990 3.150 23.580 1.00 0.00 ATOM 1005 CD1 LEU 129 7.404 4.349 24.445 1.00 0.00 ATOM 1006 CD2 LEU 129 5.706 2.503 24.117 1.00 0.00 ATOM 1007 O LEU 129 8.918 2.302 20.303 1.00 0.00 ATOM 1008 C LEU 129 9.069 3.205 21.121 1.00 0.00 ATOM 1009 N LEU 130 10.197 3.364 21.816 1.00 0.00 ATOM 1010 CA LEU 130 11.302 2.409 21.715 1.00 0.00 ATOM 1011 CB LEU 130 12.593 3.021 22.257 1.00 0.00 ATOM 1012 CG LEU 130 13.210 4.185 21.469 1.00 0.00 ATOM 1013 CD1 LEU 130 14.214 4.925 22.311 1.00 0.00 ATOM 1014 CD2 LEU 130 13.856 3.681 20.195 1.00 0.00 ATOM 1015 O LEU 130 10.515 1.159 23.611 1.00 0.00 ATOM 1016 C LEU 130 10.984 1.107 22.468 1.00 0.00 ATOM 1017 N PRO 131 11.228 -0.060 21.832 1.00 0.00 ATOM 1018 CA PRO 131 11.029 -1.341 22.557 1.00 0.00 ATOM 1019 CB PRO 131 11.188 -2.410 21.462 1.00 0.00 ATOM 1020 CG PRO 131 11.924 -1.733 20.329 1.00 0.00 ATOM 1021 CD PRO 131 11.663 -0.251 20.430 1.00 0.00 ATOM 1022 O PRO 131 13.203 -1.129 23.554 1.00 0.00 ATOM 1023 C PRO 131 12.052 -1.547 23.691 1.00 0.00 ATOM 1024 N PRO 132 11.642 -2.200 24.804 1.00 0.00 ATOM 1025 CA PRO 132 12.555 -2.358 25.955 1.00 0.00 ATOM 1026 CB PRO 132 11.639 -2.873 27.073 1.00 0.00 ATOM 1027 CG PRO 132 10.499 -3.518 26.376 1.00 0.00 ATOM 1028 CD PRO 132 10.328 -2.827 25.047 1.00 0.00 ATOM 1029 O PRO 132 14.707 -3.373 26.402 1.00 0.00 ATOM 1030 C PRO 132 13.694 -3.343 25.679 1.00 0.00 ATOM 1031 N HIS 133 13.529 -4.126 24.622 1.00 0.00 ATOM 1032 CA HIS 133 14.548 -5.070 24.190 1.00 0.00 ATOM 1033 CB HIS 133 14.472 -6.367 25.012 1.00 0.00 ATOM 1034 CG HIS 133 13.215 -7.158 24.803 1.00 0.00 ATOM 1035 CD2 HIS 133 11.928 -6.770 24.637 1.00 0.00 ATOM 1036 ND1 HIS 133 13.212 -8.536 24.735 1.00 0.00 ATOM 1037 CE1 HIS 133 11.975 -8.961 24.537 1.00 0.00 ATOM 1038 NE2 HIS 133 11.176 -7.910 24.474 1.00 0.00 ATOM 1039 O HIS 133 13.302 -5.093 22.128 1.00 0.00 ATOM 1040 C HIS 133 14.384 -5.321 22.691 1.00 0.00 ATOM 1041 N LEU 134 15.453 -5.786 22.054 1.00 0.00 ATOM 1042 CA LEU 134 15.489 -5.911 20.605 1.00 0.00 ATOM 1043 CB LEU 134 16.747 -5.236 20.037 1.00 0.00 ATOM 1044 CG LEU 134 17.033 -3.799 20.491 1.00 0.00 ATOM 1045 CD1 LEU 134 18.447 -3.354 20.103 1.00 0.00 ATOM 1046 CD2 LEU 134 15.990 -2.815 19.956 1.00 0.00 ATOM 1047 O LEU 134 16.372 -8.126 20.477 1.00 0.00 ATOM 1048 C LEU 134 15.442 -7.375 20.205 1.00 0.00 ATOM 1049 N VAL 135 14.346 -7.776 19.577 1.00 0.00 ATOM 1050 CA VAL 135 14.194 -9.149 19.097 1.00 0.00 ATOM 1051 CB VAL 135 13.714 -10.113 20.244 1.00 0.00 ATOM 1052 CG1 VAL 135 12.243 -9.882 20.586 1.00 0.00 ATOM 1053 CG2 VAL 135 14.003 -11.602 19.897 1.00 0.00 ATOM 1054 O VAL 135 12.336 -8.358 17.780 1.00 0.00 ATOM 1055 C VAL 135 13.248 -9.188 17.888 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 T0319.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.237 # GDT_score = -8.704 # GDT_score(maxd=8.000,maxw=2.900)= -8.583 # GDT_score(maxd=8.000,maxw=3.200)= -8.457 # GDT_score(maxd=8.000,maxw=3.500)= -8.280 # GDT_score(maxd=10.000,maxw=3.800)= -8.575 # GDT_score(maxd=10.000,maxw=4.000)= -8.436 # GDT_score(maxd=10.000,maxw=4.200)= -8.281 # GDT_score(maxd=12.000,maxw=4.300)= -8.691 # GDT_score(maxd=12.000,maxw=4.500)= -8.535 # GDT_score(maxd=12.000,maxw=4.700)= -8.393 # GDT_score(maxd=14.000,maxw=5.200)= -8.472 # GDT_score(maxd=14.000,maxw=5.500)= -8.252 # command:# ReadConformPDB reading from PDB file T0319.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.289 # GDT_score = -10.185 # GDT_score(maxd=8.000,maxw=2.900)= -9.041 # GDT_score(maxd=8.000,maxw=3.200)= -8.749 # GDT_score(maxd=8.000,maxw=3.500)= -8.463 # GDT_score(maxd=10.000,maxw=3.800)= -9.337 # GDT_score(maxd=10.000,maxw=4.000)= -9.130 # GDT_score(maxd=10.000,maxw=4.200)= -8.942 # GDT_score(maxd=12.000,maxw=4.300)= -9.725 # GDT_score(maxd=12.000,maxw=4.500)= -9.523 # GDT_score(maxd=12.000,maxw=4.700)= -9.337 # GDT_score(maxd=14.000,maxw=5.200)= -9.532 # GDT_score(maxd=14.000,maxw=5.500)= -9.255 # command:# ReadConformPDB reading from PDB file T0319.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0319.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0319.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # command:# naming current conformation align5 # command:# Prefix for input files set to decoys/ # command:# reading script from file read-pdb+servers.under # ReadConformPDB reading from PDB file ../model1.ts-submitted looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0319.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1255768536.pdb -s /var/tmp/to_scwrl_1255768536.seq -o /var/tmp/from_scwrl_1255768536.pdb > /var/tmp/scwrl_1255768536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255768536.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 T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_384626854.pdb -s /var/tmp/to_scwrl_384626854.seq -o /var/tmp/from_scwrl_384626854.pdb > /var/tmp/scwrl_384626854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_384626854.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 T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_671089116.pdb -s /var/tmp/to_scwrl_671089116.seq -o /var/tmp/from_scwrl_671089116.pdb > /var/tmp/scwrl_671089116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671089116.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 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1743090007.pdb -s /var/tmp/to_scwrl_1743090007.seq -o /var/tmp/from_scwrl_1743090007.pdb > /var/tmp/scwrl_1743090007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1743090007.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 T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_966954234.pdb -s /var/tmp/to_scwrl_966954234.seq -o /var/tmp/from_scwrl_966954234.pdb > /var/tmp/scwrl_966954234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_966954234.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 T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1487848747.pdb -s /var/tmp/to_scwrl_1487848747.seq -o /var/tmp/from_scwrl_1487848747.pdb > /var/tmp/scwrl_1487848747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1487848747.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 T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1335052707.pdb -s /var/tmp/to_scwrl_1335052707.seq -o /var/tmp/from_scwrl_1335052707.pdb > /var/tmp/scwrl_1335052707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1335052707.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 T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1430337175.pdb -s /var/tmp/to_scwrl_1430337175.seq -o /var/tmp/from_scwrl_1430337175.pdb > /var/tmp/scwrl_1430337175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430337175.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 T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_831027819.pdb -s /var/tmp/to_scwrl_831027819.seq -o /var/tmp/from_scwrl_831027819.pdb > /var/tmp/scwrl_831027819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_831027819.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1362025555.pdb -s /var/tmp/to_scwrl_1362025555.seq -o /var/tmp/from_scwrl_1362025555.pdb > /var/tmp/scwrl_1362025555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1362025555.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 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1038186676.pdb -s /var/tmp/to_scwrl_1038186676.seq -o /var/tmp/from_scwrl_1038186676.pdb > /var/tmp/scwrl_1038186676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038186676.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 T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1091218964.pdb -s /var/tmp/to_scwrl_1091218964.seq -o /var/tmp/from_scwrl_1091218964.pdb > /var/tmp/scwrl_1091218964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1091218964.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 T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1414019322.pdb -s /var/tmp/to_scwrl_1414019322.seq -o /var/tmp/from_scwrl_1414019322.pdb > /var/tmp/scwrl_1414019322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414019322.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1725211613.pdb -s /var/tmp/to_scwrl_1725211613.seq -o /var/tmp/from_scwrl_1725211613.pdb > /var/tmp/scwrl_1725211613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725211613.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1485487308.pdb -s /var/tmp/to_scwrl_1485487308.seq -o /var/tmp/from_scwrl_1485487308.pdb > /var/tmp/scwrl_1485487308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485487308.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 131 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_612005508.pdb -s /var/tmp/to_scwrl_612005508.seq -o /var/tmp/from_scwrl_612005508.pdb > /var/tmp/scwrl_612005508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612005508.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 117 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1435571649.pdb -s /var/tmp/to_scwrl_1435571649.seq -o /var/tmp/from_scwrl_1435571649.pdb > /var/tmp/scwrl_1435571649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1435571649.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 130 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_191715859.pdb -s /var/tmp/to_scwrl_191715859.seq -o /var/tmp/from_scwrl_191715859.pdb > /var/tmp/scwrl_191715859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_191715859.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 125 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1996178945.pdb -s /var/tmp/to_scwrl_1996178945.seq -o /var/tmp/from_scwrl_1996178945.pdb > /var/tmp/scwrl_1996178945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996178945.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 129 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1041097703.pdb -s /var/tmp/to_scwrl_1041097703.seq -o /var/tmp/from_scwrl_1041097703.pdb > /var/tmp/scwrl_1041097703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1041097703.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 131 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1964817088.pdb -s /var/tmp/to_scwrl_1964817088.seq -o /var/tmp/from_scwrl_1964817088.pdb > /var/tmp/scwrl_1964817088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1964817088.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 130 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_441546032.pdb -s /var/tmp/to_scwrl_441546032.seq -o /var/tmp/from_scwrl_441546032.pdb > /var/tmp/scwrl_441546032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_441546032.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 134 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2012959107.pdb -s /var/tmp/to_scwrl_2012959107.seq -o /var/tmp/from_scwrl_2012959107.pdb > /var/tmp/scwrl_2012959107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2012959107.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 134 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_572164840.pdb -s /var/tmp/to_scwrl_572164840.seq -o /var/tmp/from_scwrl_572164840.pdb > /var/tmp/scwrl_572164840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_572164840.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 130 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_424154027.pdb -s /var/tmp/to_scwrl_424154027.seq -o /var/tmp/from_scwrl_424154027.pdb > /var/tmp/scwrl_424154027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424154027.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 130 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1568512430.pdb -s /var/tmp/to_scwrl_1568512430.seq -o /var/tmp/from_scwrl_1568512430.pdb > /var/tmp/scwrl_1568512430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1568512430.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 134 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1792729035.pdb -s /var/tmp/to_scwrl_1792729035.seq -o /var/tmp/from_scwrl_1792729035.pdb > /var/tmp/scwrl_1792729035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1792729035.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1780508057.pdb -s /var/tmp/to_scwrl_1780508057.seq -o /var/tmp/from_scwrl_1780508057.pdb > /var/tmp/scwrl_1780508057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1780508057.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 # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_120521878.pdb -s /var/tmp/to_scwrl_120521878.seq -o /var/tmp/from_scwrl_120521878.pdb > /var/tmp/scwrl_120521878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_120521878.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_42059465.pdb -s /var/tmp/to_scwrl_42059465.seq -o /var/tmp/from_scwrl_42059465.pdb > /var/tmp/scwrl_42059465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_42059465.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 # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1830822414.pdb -s /var/tmp/to_scwrl_1830822414.seq -o /var/tmp/from_scwrl_1830822414.pdb > /var/tmp/scwrl_1830822414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830822414.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 133 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1376290414.pdb -s /var/tmp/to_scwrl_1376290414.seq -o /var/tmp/from_scwrl_1376290414.pdb > /var/tmp/scwrl_1376290414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376290414.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 132 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_426686320.pdb -s /var/tmp/to_scwrl_426686320.seq -o /var/tmp/from_scwrl_426686320.pdb > /var/tmp/scwrl_426686320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_426686320.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 132 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_354427884.pdb -s /var/tmp/to_scwrl_354427884.seq -o /var/tmp/from_scwrl_354427884.pdb > /var/tmp/scwrl_354427884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_354427884.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 134 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_971896775.pdb -s /var/tmp/to_scwrl_971896775.seq -o /var/tmp/from_scwrl_971896775.pdb > /var/tmp/scwrl_971896775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_971896775.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1393640553.pdb -s /var/tmp/to_scwrl_1393640553.seq -o /var/tmp/from_scwrl_1393640553.pdb > /var/tmp/scwrl_1393640553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393640553.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1842276631.pdb -s /var/tmp/to_scwrl_1842276631.seq -o /var/tmp/from_scwrl_1842276631.pdb > /var/tmp/scwrl_1842276631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1842276631.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 T0319 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_159465835.pdb -s /var/tmp/to_scwrl_159465835.seq -o /var/tmp/from_scwrl_159465835.pdb > /var/tmp/scwrl_159465835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159465835.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_676494082.pdb -s /var/tmp/to_scwrl_676494082.seq -o /var/tmp/from_scwrl_676494082.pdb > /var/tmp/scwrl_676494082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_676494082.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 T0319 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_525820803.pdb -s /var/tmp/to_scwrl_525820803.seq -o /var/tmp/from_scwrl_525820803.pdb > /var/tmp/scwrl_525820803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_525820803.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 T0319 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1521491390.pdb -s /var/tmp/to_scwrl_1521491390.seq -o /var/tmp/from_scwrl_1521491390.pdb > /var/tmp/scwrl_1521491390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521491390.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 T0319 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1714680757.pdb -s /var/tmp/to_scwrl_1714680757.seq -o /var/tmp/from_scwrl_1714680757.pdb > /var/tmp/scwrl_1714680757.log Error: can't open any of /var/tmp/from_scwrl_1714680757.pdb or /var/tmp/from_scwrl_1714680757_b.pdb or /var/tmp/from_scwrl_1714680757_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 T0319 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1617039767.pdb -s /var/tmp/to_scwrl_1617039767.seq -o /var/tmp/from_scwrl_1617039767.pdb > /var/tmp/scwrl_1617039767.log Error: can't open any of /var/tmp/from_scwrl_1617039767.pdb or /var/tmp/from_scwrl_1617039767_b.pdb or /var/tmp/from_scwrl_1617039767_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 T0319 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_788027066.pdb -s /var/tmp/to_scwrl_788027066.seq -o /var/tmp/from_scwrl_788027066.pdb > /var/tmp/scwrl_788027066.log Error: can't open any of /var/tmp/from_scwrl_788027066.pdb or /var/tmp/from_scwrl_788027066_b.pdb or /var/tmp/from_scwrl_788027066_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 T0319 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1292408723.pdb -s /var/tmp/to_scwrl_1292408723.seq -o /var/tmp/from_scwrl_1292408723.pdb > /var/tmp/scwrl_1292408723.log Error: can't open any of /var/tmp/from_scwrl_1292408723.pdb or /var/tmp/from_scwrl_1292408723_b.pdb or /var/tmp/from_scwrl_1292408723_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 T0319 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_955043430.pdb -s /var/tmp/to_scwrl_955043430.seq -o /var/tmp/from_scwrl_955043430.pdb > /var/tmp/scwrl_955043430.log Error: can't open any of /var/tmp/from_scwrl_955043430.pdb or /var/tmp/from_scwrl_955043430_b.pdb or /var/tmp/from_scwrl_955043430_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1400032574.pdb -s /var/tmp/to_scwrl_1400032574.seq -o /var/tmp/from_scwrl_1400032574.pdb > /var/tmp/scwrl_1400032574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400032574.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 132 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_580496727.pdb -s /var/tmp/to_scwrl_580496727.seq -o /var/tmp/from_scwrl_580496727.pdb > /var/tmp/scwrl_580496727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_580496727.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 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1146759288.pdb -s /var/tmp/to_scwrl_1146759288.seq -o /var/tmp/from_scwrl_1146759288.pdb > /var/tmp/scwrl_1146759288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1146759288.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 T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1248727872.pdb -s /var/tmp/to_scwrl_1248727872.seq -o /var/tmp/from_scwrl_1248727872.pdb > /var/tmp/scwrl_1248727872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1248727872.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 T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1621594429.pdb -s /var/tmp/to_scwrl_1621594429.seq -o /var/tmp/from_scwrl_1621594429.pdb > /var/tmp/scwrl_1621594429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621594429.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 132 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_964092730.pdb -s /var/tmp/to_scwrl_964092730.seq -o /var/tmp/from_scwrl_964092730.pdb > /var/tmp/scwrl_964092730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_964092730.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 132 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1690273904.pdb -s /var/tmp/to_scwrl_1690273904.seq -o /var/tmp/from_scwrl_1690273904.pdb > /var/tmp/scwrl_1690273904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690273904.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 134 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1487069889.pdb -s /var/tmp/to_scwrl_1487069889.seq -o /var/tmp/from_scwrl_1487069889.pdb > /var/tmp/scwrl_1487069889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1487069889.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1536257570.pdb -s /var/tmp/to_scwrl_1536257570.seq -o /var/tmp/from_scwrl_1536257570.pdb > /var/tmp/scwrl_1536257570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1536257570.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 T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2114427932.pdb -s /var/tmp/to_scwrl_2114427932.seq -o /var/tmp/from_scwrl_2114427932.pdb > /var/tmp/scwrl_2114427932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114427932.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 78 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_908098673.pdb -s /var/tmp/to_scwrl_908098673.seq -o /var/tmp/from_scwrl_908098673.pdb > /var/tmp/scwrl_908098673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_908098673.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 76 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1181502958.pdb -s /var/tmp/to_scwrl_1181502958.seq -o /var/tmp/from_scwrl_1181502958.pdb > /var/tmp/scwrl_1181502958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181502958.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 124 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1747452342.pdb -s /var/tmp/to_scwrl_1747452342.seq -o /var/tmp/from_scwrl_1747452342.pdb > /var/tmp/scwrl_1747452342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1747452342.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 # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1028620551.pdb -s /var/tmp/to_scwrl_1028620551.seq -o /var/tmp/from_scwrl_1028620551.pdb > /var/tmp/scwrl_1028620551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1028620551.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 109 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1223562423.pdb -s /var/tmp/to_scwrl_1223562423.seq -o /var/tmp/from_scwrl_1223562423.pdb > /var/tmp/scwrl_1223562423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1223562423.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 T0319 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1430791110.pdb -s /var/tmp/to_scwrl_1430791110.seq -o /var/tmp/from_scwrl_1430791110.pdb > /var/tmp/scwrl_1430791110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430791110.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 T0319 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_257427318.pdb -s /var/tmp/to_scwrl_257427318.seq -o /var/tmp/from_scwrl_257427318.pdb > /var/tmp/scwrl_257427318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257427318.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 T0319 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1650248743.pdb -s /var/tmp/to_scwrl_1650248743.seq -o /var/tmp/from_scwrl_1650248743.pdb > /var/tmp/scwrl_1650248743.log Error: can't open any of /var/tmp/from_scwrl_1650248743.pdb or /var/tmp/from_scwrl_1650248743_b.pdb or /var/tmp/from_scwrl_1650248743_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1785218994.pdb -s /var/tmp/to_scwrl_1785218994.seq -o /var/tmp/from_scwrl_1785218994.pdb > /var/tmp/scwrl_1785218994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1785218994.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 T0319 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1229324093.pdb -s /var/tmp/to_scwrl_1229324093.seq -o /var/tmp/from_scwrl_1229324093.pdb > /var/tmp/scwrl_1229324093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229324093.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 T0319 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_896405650.pdb -s /var/tmp/to_scwrl_896405650.seq -o /var/tmp/from_scwrl_896405650.pdb > /var/tmp/scwrl_896405650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_896405650.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 T0319 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1480011978.pdb -s /var/tmp/to_scwrl_1480011978.seq -o /var/tmp/from_scwrl_1480011978.pdb > /var/tmp/scwrl_1480011978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480011978.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 T0319 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1388789928.pdb -s /var/tmp/to_scwrl_1388789928.seq -o /var/tmp/from_scwrl_1388789928.pdb > /var/tmp/scwrl_1388789928.log Error: can't open any of /var/tmp/from_scwrl_1388789928.pdb or /var/tmp/from_scwrl_1388789928_b.pdb or /var/tmp/from_scwrl_1388789928_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1572899731.pdb -s /var/tmp/to_scwrl_1572899731.seq -o /var/tmp/from_scwrl_1572899731.pdb > /var/tmp/scwrl_1572899731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1572899731.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 T0319 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2005832782.pdb -s /var/tmp/to_scwrl_2005832782.seq -o /var/tmp/from_scwrl_2005832782.pdb > /var/tmp/scwrl_2005832782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005832782.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 129 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_762797673.pdb -s /var/tmp/to_scwrl_762797673.seq -o /var/tmp/from_scwrl_762797673.pdb > /var/tmp/scwrl_762797673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_762797673.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 134 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1140096841.pdb -s /var/tmp/to_scwrl_1140096841.seq -o /var/tmp/from_scwrl_1140096841.pdb > /var/tmp/scwrl_1140096841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140096841.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 134 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1475388902.pdb -s /var/tmp/to_scwrl_1475388902.seq -o /var/tmp/from_scwrl_1475388902.pdb > /var/tmp/scwrl_1475388902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475388902.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 119 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1550824738.pdb -s /var/tmp/to_scwrl_1550824738.seq -o /var/tmp/from_scwrl_1550824738.pdb > /var/tmp/scwrl_1550824738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550824738.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 134 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_285021919.pdb -s /var/tmp/to_scwrl_285021919.seq -o /var/tmp/from_scwrl_285021919.pdb > /var/tmp/scwrl_285021919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_285021919.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_282948685.pdb -s /var/tmp/to_scwrl_282948685.seq -o /var/tmp/from_scwrl_282948685.pdb > /var/tmp/scwrl_282948685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_282948685.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_803373666.pdb -s /var/tmp/to_scwrl_803373666.seq -o /var/tmp/from_scwrl_803373666.pdb > /var/tmp/scwrl_803373666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803373666.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 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_865518646.pdb -s /var/tmp/to_scwrl_865518646.seq -o /var/tmp/from_scwrl_865518646.pdb > /var/tmp/scwrl_865518646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865518646.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 T0319 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1429707974.pdb -s /var/tmp/to_scwrl_1429707974.seq -o /var/tmp/from_scwrl_1429707974.pdb > /var/tmp/scwrl_1429707974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429707974.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 61 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2052101538.pdb -s /var/tmp/to_scwrl_2052101538.seq -o /var/tmp/from_scwrl_2052101538.pdb > /var/tmp/scwrl_2052101538.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2052101538.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 T0319 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_339629428.pdb -s /var/tmp/to_scwrl_339629428.seq -o /var/tmp/from_scwrl_339629428.pdb > /var/tmp/scwrl_339629428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_339629428.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 T0319 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_246317057.pdb -s /var/tmp/to_scwrl_246317057.seq -o /var/tmp/from_scwrl_246317057.pdb > /var/tmp/scwrl_246317057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246317057.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 T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1594891796.pdb -s /var/tmp/to_scwrl_1594891796.seq -o /var/tmp/from_scwrl_1594891796.pdb > /var/tmp/scwrl_1594891796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1594891796.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 T0319 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1826699318.pdb -s /var/tmp/to_scwrl_1826699318.seq -o /var/tmp/from_scwrl_1826699318.pdb > /var/tmp/scwrl_1826699318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1826699318.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 T0319 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1782574627.pdb -s /var/tmp/to_scwrl_1782574627.seq -o /var/tmp/from_scwrl_1782574627.pdb > /var/tmp/scwrl_1782574627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782574627.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 133 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1561836081.pdb -s /var/tmp/to_scwrl_1561836081.seq -o /var/tmp/from_scwrl_1561836081.pdb > /var/tmp/scwrl_1561836081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1561836081.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 132 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_587314344.pdb -s /var/tmp/to_scwrl_587314344.seq -o /var/tmp/from_scwrl_587314344.pdb > /var/tmp/scwrl_587314344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_587314344.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 132 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_816593939.pdb -s /var/tmp/to_scwrl_816593939.seq -o /var/tmp/from_scwrl_816593939.pdb > /var/tmp/scwrl_816593939.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_816593939.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1161804776.pdb -s /var/tmp/to_scwrl_1161804776.seq -o /var/tmp/from_scwrl_1161804776.pdb > /var/tmp/scwrl_1161804776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1161804776.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 134 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1615934895.pdb -s /var/tmp/to_scwrl_1615934895.seq -o /var/tmp/from_scwrl_1615934895.pdb > /var/tmp/scwrl_1615934895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1615934895.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 125 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2040156363.pdb -s /var/tmp/to_scwrl_2040156363.seq -o /var/tmp/from_scwrl_2040156363.pdb > /var/tmp/scwrl_2040156363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040156363.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 119 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_445112240.pdb -s /var/tmp/to_scwrl_445112240.seq -o /var/tmp/from_scwrl_445112240.pdb > /var/tmp/scwrl_445112240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_445112240.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 69 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1873362213.pdb -s /var/tmp/to_scwrl_1873362213.seq -o /var/tmp/from_scwrl_1873362213.pdb > /var/tmp/scwrl_1873362213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873362213.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 134 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1542921459.pdb -s /var/tmp/to_scwrl_1542921459.seq -o /var/tmp/from_scwrl_1542921459.pdb > /var/tmp/scwrl_1542921459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1542921459.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_82847587.pdb -s /var/tmp/to_scwrl_82847587.seq -o /var/tmp/from_scwrl_82847587.pdb > /var/tmp/scwrl_82847587.log Error: can't open any of /var/tmp/from_scwrl_82847587.pdb or /var/tmp/from_scwrl_82847587_b.pdb or /var/tmp/from_scwrl_82847587_a.pdb Error: no new SCWRL conformation added # 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 8 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_955202660.pdb -s /var/tmp/to_scwrl_955202660.seq -o /var/tmp/from_scwrl_955202660.pdb > /var/tmp/scwrl_955202660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_955202660.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 108 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_291843463.pdb -s /var/tmp/to_scwrl_291843463.seq -o /var/tmp/from_scwrl_291843463.pdb > /var/tmp/scwrl_291843463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_291843463.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 118 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1562859566.pdb -s /var/tmp/to_scwrl_1562859566.seq -o /var/tmp/from_scwrl_1562859566.pdb > /var/tmp/scwrl_1562859566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1562859566.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 T0319 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_196508942.pdb -s /var/tmp/to_scwrl_196508942.seq -o /var/tmp/from_scwrl_196508942.pdb > /var/tmp/scwrl_196508942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196508942.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 T0319 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1864743194.pdb -s /var/tmp/to_scwrl_1864743194.seq -o /var/tmp/from_scwrl_1864743194.pdb > /var/tmp/scwrl_1864743194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1864743194.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 T0319 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1421208701.pdb -s /var/tmp/to_scwrl_1421208701.seq -o /var/tmp/from_scwrl_1421208701.pdb > /var/tmp/scwrl_1421208701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421208701.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 T0319 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_959306615.pdb -s /var/tmp/to_scwrl_959306615.seq -o /var/tmp/from_scwrl_959306615.pdb > /var/tmp/scwrl_959306615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_959306615.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 T0319 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_857356390.pdb -s /var/tmp/to_scwrl_857356390.seq -o /var/tmp/from_scwrl_857356390.pdb > /var/tmp/scwrl_857356390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857356390.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_749113957.pdb -s /var/tmp/to_scwrl_749113957.seq -o /var/tmp/from_scwrl_749113957.pdb > /var/tmp/scwrl_749113957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749113957.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_362647706.pdb -s /var/tmp/to_scwrl_362647706.seq -o /var/tmp/from_scwrl_362647706.pdb > /var/tmp/scwrl_362647706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362647706.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1142378308.pdb -s /var/tmp/to_scwrl_1142378308.seq -o /var/tmp/from_scwrl_1142378308.pdb > /var/tmp/scwrl_1142378308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1142378308.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 T0319 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1032062643.pdb -s /var/tmp/to_scwrl_1032062643.seq -o /var/tmp/from_scwrl_1032062643.pdb > /var/tmp/scwrl_1032062643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1032062643.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 T0319 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1166021372.pdb -s /var/tmp/to_scwrl_1166021372.seq -o /var/tmp/from_scwrl_1166021372.pdb > /var/tmp/scwrl_1166021372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1166021372.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_FLEX_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation MIG_FROST_FLEX_AL1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2007896954.pdb -s /var/tmp/to_scwrl_2007896954.seq -o /var/tmp/from_scwrl_2007896954.pdb > /var/tmp/scwrl_2007896954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007896954.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_FLEX_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_314286970.pdb -s /var/tmp/to_scwrl_314286970.seq -o /var/tmp/from_scwrl_314286970.pdb > /var/tmp/scwrl_314286970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_314286970.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1070639264.pdb -s /var/tmp/to_scwrl_1070639264.seq -o /var/tmp/from_scwrl_1070639264.pdb > /var/tmp/scwrl_1070639264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070639264.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 56 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_200042735.pdb -s /var/tmp/to_scwrl_200042735.seq -o /var/tmp/from_scwrl_200042735.pdb > /var/tmp/scwrl_200042735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_200042735.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 121 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_560604027.pdb -s /var/tmp/to_scwrl_560604027.seq -o /var/tmp/from_scwrl_560604027.pdb > /var/tmp/scwrl_560604027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_560604027.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 125 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_518047413.pdb -s /var/tmp/to_scwrl_518047413.seq -o /var/tmp/from_scwrl_518047413.pdb > /var/tmp/scwrl_518047413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518047413.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 134 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2026742053.pdb -s /var/tmp/to_scwrl_2026742053.seq -o /var/tmp/from_scwrl_2026742053.pdb > /var/tmp/scwrl_2026742053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026742053.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 134 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_195695008.pdb -s /var/tmp/to_scwrl_195695008.seq -o /var/tmp/from_scwrl_195695008.pdb > /var/tmp/scwrl_195695008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195695008.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2079883494.pdb -s /var/tmp/to_scwrl_2079883494.seq -o /var/tmp/from_scwrl_2079883494.pdb > /var/tmp/scwrl_2079883494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2079883494.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_466572751.pdb -s /var/tmp/to_scwrl_466572751.seq -o /var/tmp/from_scwrl_466572751.pdb > /var/tmp/scwrl_466572751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466572751.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1012288947.pdb -s /var/tmp/to_scwrl_1012288947.seq -o /var/tmp/from_scwrl_1012288947.pdb > /var/tmp/scwrl_1012288947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012288947.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1094204624.pdb -s /var/tmp/to_scwrl_1094204624.seq -o /var/tmp/from_scwrl_1094204624.pdb > /var/tmp/scwrl_1094204624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1094204624.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2082507646.pdb -s /var/tmp/to_scwrl_2082507646.seq -o /var/tmp/from_scwrl_2082507646.pdb > /var/tmp/scwrl_2082507646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2082507646.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_904961663.pdb -s /var/tmp/to_scwrl_904961663.seq -o /var/tmp/from_scwrl_904961663.pdb > /var/tmp/scwrl_904961663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_904961663.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1539316864.pdb -s /var/tmp/to_scwrl_1539316864.seq -o /var/tmp/from_scwrl_1539316864.pdb > /var/tmp/scwrl_1539316864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1539316864.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1808386212.pdb -s /var/tmp/to_scwrl_1808386212.seq -o /var/tmp/from_scwrl_1808386212.pdb > /var/tmp/scwrl_1808386212.log Error: can't open any of /var/tmp/from_scwrl_1808386212.pdb or /var/tmp/from_scwrl_1808386212_b.pdb or /var/tmp/from_scwrl_1808386212_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_300399476.pdb -s /var/tmp/to_scwrl_300399476.seq -o /var/tmp/from_scwrl_300399476.pdb > /var/tmp/scwrl_300399476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300399476.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1622164452.pdb -s /var/tmp/to_scwrl_1622164452.seq -o /var/tmp/from_scwrl_1622164452.pdb > /var/tmp/scwrl_1622164452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1622164452.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 122 ; scwrl -i /var/tmp/to_scwrl_616105226.pdb -s /var/tmp/to_scwrl_616105226.seq -o /var/tmp/from_scwrl_616105226.pdb > /var/tmp/scwrl_616105226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616105226.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 122 ; scwrl -i /var/tmp/to_scwrl_592242939.pdb -s /var/tmp/to_scwrl_592242939.seq -o /var/tmp/from_scwrl_592242939.pdb > /var/tmp/scwrl_592242939.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592242939.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 122 ; scwrl -i /var/tmp/to_scwrl_1037540372.pdb -s /var/tmp/to_scwrl_1037540372.seq -o /var/tmp/from_scwrl_1037540372.pdb > /var/tmp/scwrl_1037540372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037540372.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 122 ; scwrl -i /var/tmp/to_scwrl_812614168.pdb -s /var/tmp/to_scwrl_812614168.seq -o /var/tmp/from_scwrl_812614168.pdb > /var/tmp/scwrl_812614168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_812614168.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_309502486.pdb -s /var/tmp/to_scwrl_309502486.seq -o /var/tmp/from_scwrl_309502486.pdb > /var/tmp/scwrl_309502486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_309502486.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 125 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_311265426.pdb -s /var/tmp/to_scwrl_311265426.seq -o /var/tmp/from_scwrl_311265426.pdb > /var/tmp/scwrl_311265426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311265426.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1771920782.pdb -s /var/tmp/to_scwrl_1771920782.seq -o /var/tmp/from_scwrl_1771920782.pdb > /var/tmp/scwrl_1771920782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771920782.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1166858875.pdb -s /var/tmp/to_scwrl_1166858875.seq -o /var/tmp/from_scwrl_1166858875.pdb > /var/tmp/scwrl_1166858875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1166858875.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 125 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1060379383.pdb -s /var/tmp/to_scwrl_1060379383.seq -o /var/tmp/from_scwrl_1060379383.pdb > /var/tmp/scwrl_1060379383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060379383.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2134568488.pdb -s /var/tmp/to_scwrl_2134568488.seq -o /var/tmp/from_scwrl_2134568488.pdb > /var/tmp/scwrl_2134568488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2134568488.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 T0319 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_161753537.pdb -s /var/tmp/to_scwrl_161753537.seq -o /var/tmp/from_scwrl_161753537.pdb > /var/tmp/scwrl_161753537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161753537.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2092442025.pdb -s /var/tmp/to_scwrl_2092442025.seq -o /var/tmp/from_scwrl_2092442025.pdb > /var/tmp/scwrl_2092442025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2092442025.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 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1153106213.pdb -s /var/tmp/to_scwrl_1153106213.seq -o /var/tmp/from_scwrl_1153106213.pdb > /var/tmp/scwrl_1153106213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1153106213.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_22166844.pdb -s /var/tmp/to_scwrl_22166844.seq -o /var/tmp/from_scwrl_22166844.pdb > /var/tmp/scwrl_22166844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_22166844.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 T0319 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_259245348.pdb -s /var/tmp/to_scwrl_259245348.seq -o /var/tmp/from_scwrl_259245348.pdb > /var/tmp/scwrl_259245348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_259245348.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_76261831.pdb -s /var/tmp/to_scwrl_76261831.seq -o /var/tmp/from_scwrl_76261831.pdb > /var/tmp/scwrl_76261831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_76261831.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_222209580.pdb -s /var/tmp/to_scwrl_222209580.seq -o /var/tmp/from_scwrl_222209580.pdb > /var/tmp/scwrl_222209580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_222209580.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_819849376.pdb -s /var/tmp/to_scwrl_819849376.seq -o /var/tmp/from_scwrl_819849376.pdb > /var/tmp/scwrl_819849376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_819849376.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_594309244.pdb -s /var/tmp/to_scwrl_594309244.seq -o /var/tmp/from_scwrl_594309244.pdb > /var/tmp/scwrl_594309244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594309244.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_101467986.pdb -s /var/tmp/to_scwrl_101467986.seq -o /var/tmp/from_scwrl_101467986.pdb > /var/tmp/scwrl_101467986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101467986.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 119 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1015544384.pdb -s /var/tmp/to_scwrl_1015544384.seq -o /var/tmp/from_scwrl_1015544384.pdb > /var/tmp/scwrl_1015544384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015544384.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 74 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_526709092.pdb -s /var/tmp/to_scwrl_526709092.seq -o /var/tmp/from_scwrl_526709092.pdb > /var/tmp/scwrl_526709092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_526709092.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 # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_568040737.pdb -s /var/tmp/to_scwrl_568040737.seq -o /var/tmp/from_scwrl_568040737.pdb > /var/tmp/scwrl_568040737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_568040737.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 111 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2027833330.pdb -s /var/tmp/to_scwrl_2027833330.seq -o /var/tmp/from_scwrl_2027833330.pdb > /var/tmp/scwrl_2027833330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2027833330.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 T0319 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1620913716.pdb -s /var/tmp/to_scwrl_1620913716.seq -o /var/tmp/from_scwrl_1620913716.pdb > /var/tmp/scwrl_1620913716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1620913716.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 115 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_503064736.pdb -s /var/tmp/to_scwrl_503064736.seq -o /var/tmp/from_scwrl_503064736.pdb > /var/tmp/scwrl_503064736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503064736.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 117 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_785311347.pdb -s /var/tmp/to_scwrl_785311347.seq -o /var/tmp/from_scwrl_785311347.pdb > /var/tmp/scwrl_785311347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_785311347.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 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1012746934.pdb -s /var/tmp/to_scwrl_1012746934.seq -o /var/tmp/from_scwrl_1012746934.pdb > /var/tmp/scwrl_1012746934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012746934.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 # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_163967302.pdb -s /var/tmp/to_scwrl_163967302.seq -o /var/tmp/from_scwrl_163967302.pdb > /var/tmp/scwrl_163967302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_163967302.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 88 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1085710822.pdb -s /var/tmp/to_scwrl_1085710822.seq -o /var/tmp/from_scwrl_1085710822.pdb > /var/tmp/scwrl_1085710822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1085710822.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 129 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_487427739.pdb -s /var/tmp/to_scwrl_487427739.seq -o /var/tmp/from_scwrl_487427739.pdb > /var/tmp/scwrl_487427739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_487427739.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 134 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_780072528.pdb -s /var/tmp/to_scwrl_780072528.seq -o /var/tmp/from_scwrl_780072528.pdb > /var/tmp/scwrl_780072528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_780072528.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 130 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1677953761.pdb -s /var/tmp/to_scwrl_1677953761.seq -o /var/tmp/from_scwrl_1677953761.pdb > /var/tmp/scwrl_1677953761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1677953761.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 132 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1524968110.pdb -s /var/tmp/to_scwrl_1524968110.seq -o /var/tmp/from_scwrl_1524968110.pdb > /var/tmp/scwrl_1524968110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524968110.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 132 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1592686695.pdb -s /var/tmp/to_scwrl_1592686695.seq -o /var/tmp/from_scwrl_1592686695.pdb > /var/tmp/scwrl_1592686695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592686695.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1987456247.pdb -s /var/tmp/to_scwrl_1987456247.seq -o /var/tmp/from_scwrl_1987456247.pdb > /var/tmp/scwrl_1987456247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1987456247.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 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1836233536.pdb -s /var/tmp/to_scwrl_1836233536.seq -o /var/tmp/from_scwrl_1836233536.pdb > /var/tmp/scwrl_1836233536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1836233536.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 105 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1217123830.pdb -s /var/tmp/to_scwrl_1217123830.seq -o /var/tmp/from_scwrl_1217123830.pdb > /var/tmp/scwrl_1217123830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1217123830.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 117 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1006831477.pdb -s /var/tmp/to_scwrl_1006831477.seq -o /var/tmp/from_scwrl_1006831477.pdb > /var/tmp/scwrl_1006831477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1006831477.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 73 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_749129273.pdb -s /var/tmp/to_scwrl_749129273.seq -o /var/tmp/from_scwrl_749129273.pdb > /var/tmp/scwrl_749129273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749129273.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 109 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1204208671.pdb -s /var/tmp/to_scwrl_1204208671.seq -o /var/tmp/from_scwrl_1204208671.pdb > /var/tmp/scwrl_1204208671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204208671.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 111 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1168585013.pdb -s /var/tmp/to_scwrl_1168585013.seq -o /var/tmp/from_scwrl_1168585013.pdb > /var/tmp/scwrl_1168585013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1168585013.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 111 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_694087651.pdb -s /var/tmp/to_scwrl_694087651.seq -o /var/tmp/from_scwrl_694087651.pdb > /var/tmp/scwrl_694087651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694087651.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_209831239.pdb -s /var/tmp/to_scwrl_209831239.seq -o /var/tmp/from_scwrl_209831239.pdb > /var/tmp/scwrl_209831239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209831239.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 54 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1190751858.pdb -s /var/tmp/to_scwrl_1190751858.seq -o /var/tmp/from_scwrl_1190751858.pdb > /var/tmp/scwrl_1190751858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1190751858.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_953333000.pdb -s /var/tmp/to_scwrl_953333000.seq -o /var/tmp/from_scwrl_953333000.pdb > /var/tmp/scwrl_953333000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_953333000.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_286093070.pdb -s /var/tmp/to_scwrl_286093070.seq -o /var/tmp/from_scwrl_286093070.pdb > /var/tmp/scwrl_286093070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_286093070.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1412961438.pdb -s /var/tmp/to_scwrl_1412961438.seq -o /var/tmp/from_scwrl_1412961438.pdb > /var/tmp/scwrl_1412961438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1412961438.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1773182375.pdb -s /var/tmp/to_scwrl_1773182375.seq -o /var/tmp/from_scwrl_1773182375.pdb > /var/tmp/scwrl_1773182375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773182375.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_880402314.pdb -s /var/tmp/to_scwrl_880402314.seq -o /var/tmp/from_scwrl_880402314.pdb > /var/tmp/scwrl_880402314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_880402314.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 T0319 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1514429424.pdb -s /var/tmp/to_scwrl_1514429424.seq -o /var/tmp/from_scwrl_1514429424.pdb > /var/tmp/scwrl_1514429424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1514429424.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 T0319 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_641243112.pdb -s /var/tmp/to_scwrl_641243112.seq -o /var/tmp/from_scwrl_641243112.pdb > /var/tmp/scwrl_641243112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_641243112.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 T0319 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1407111405.pdb -s /var/tmp/to_scwrl_1407111405.seq -o /var/tmp/from_scwrl_1407111405.pdb > /var/tmp/scwrl_1407111405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1407111405.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 T0319 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2082470162.pdb -s /var/tmp/to_scwrl_2082470162.seq -o /var/tmp/from_scwrl_2082470162.pdb > /var/tmp/scwrl_2082470162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2082470162.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 T0319 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_521592795.pdb -s /var/tmp/to_scwrl_521592795.seq -o /var/tmp/from_scwrl_521592795.pdb > /var/tmp/scwrl_521592795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_521592795.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_880541475.pdb -s /var/tmp/to_scwrl_880541475.seq -o /var/tmp/from_scwrl_880541475.pdb > /var/tmp/scwrl_880541475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_880541475.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 T0319 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_438051251.pdb -s /var/tmp/to_scwrl_438051251.seq -o /var/tmp/from_scwrl_438051251.pdb > /var/tmp/scwrl_438051251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_438051251.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 T0319 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1306904141.pdb -s /var/tmp/to_scwrl_1306904141.seq -o /var/tmp/from_scwrl_1306904141.pdb > /var/tmp/scwrl_1306904141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306904141.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 T0319 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1893288409.pdb -s /var/tmp/to_scwrl_1893288409.seq -o /var/tmp/from_scwrl_1893288409.pdb > /var/tmp/scwrl_1893288409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1893288409.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 T0319 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_602018553.pdb -s /var/tmp/to_scwrl_602018553.seq -o /var/tmp/from_scwrl_602018553.pdb > /var/tmp/scwrl_602018553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_602018553.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 116 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_245131317.pdb -s /var/tmp/to_scwrl_245131317.seq -o /var/tmp/from_scwrl_245131317.pdb > /var/tmp/scwrl_245131317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245131317.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 82 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_233232501.pdb -s /var/tmp/to_scwrl_233232501.seq -o /var/tmp/from_scwrl_233232501.pdb > /var/tmp/scwrl_233232501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_233232501.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 81 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1382091080.pdb -s /var/tmp/to_scwrl_1382091080.seq -o /var/tmp/from_scwrl_1382091080.pdb > /var/tmp/scwrl_1382091080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382091080.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 115 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1923085078.pdb -s /var/tmp/to_scwrl_1923085078.seq -o /var/tmp/from_scwrl_1923085078.pdb > /var/tmp/scwrl_1923085078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1923085078.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 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1758200612.pdb -s /var/tmp/to_scwrl_1758200612.seq -o /var/tmp/from_scwrl_1758200612.pdb > /var/tmp/scwrl_1758200612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1758200612.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 132 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_827294129.pdb -s /var/tmp/to_scwrl_827294129.seq -o /var/tmp/from_scwrl_827294129.pdb > /var/tmp/scwrl_827294129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827294129.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 128 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1763057679.pdb -s /var/tmp/to_scwrl_1763057679.seq -o /var/tmp/from_scwrl_1763057679.pdb > /var/tmp/scwrl_1763057679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763057679.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 132 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1446950501.pdb -s /var/tmp/to_scwrl_1446950501.seq -o /var/tmp/from_scwrl_1446950501.pdb > /var/tmp/scwrl_1446950501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1446950501.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2044417959.pdb -s /var/tmp/to_scwrl_2044417959.seq -o /var/tmp/from_scwrl_2044417959.pdb > /var/tmp/scwrl_2044417959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2044417959.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 108 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_622405509.pdb -s /var/tmp/to_scwrl_622405509.seq -o /var/tmp/from_scwrl_622405509.pdb > /var/tmp/scwrl_622405509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_622405509.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 112 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_48596127.pdb -s /var/tmp/to_scwrl_48596127.seq -o /var/tmp/from_scwrl_48596127.pdb > /var/tmp/scwrl_48596127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48596127.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 125 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1101142984.pdb -s /var/tmp/to_scwrl_1101142984.seq -o /var/tmp/from_scwrl_1101142984.pdb > /var/tmp/scwrl_1101142984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101142984.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 62 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1790990522.pdb -s /var/tmp/to_scwrl_1790990522.seq -o /var/tmp/from_scwrl_1790990522.pdb > /var/tmp/scwrl_1790990522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1790990522.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 96 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_742683779.pdb -s /var/tmp/to_scwrl_742683779.seq -o /var/tmp/from_scwrl_742683779.pdb > /var/tmp/scwrl_742683779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_742683779.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1310974223.pdb -s /var/tmp/to_scwrl_1310974223.seq -o /var/tmp/from_scwrl_1310974223.pdb > /var/tmp/scwrl_1310974223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1310974223.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 T0319 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_834258734.pdb -s /var/tmp/to_scwrl_834258734.seq -o /var/tmp/from_scwrl_834258734.pdb > /var/tmp/scwrl_834258734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_834258734.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 T0319 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1696016778.pdb -s /var/tmp/to_scwrl_1696016778.seq -o /var/tmp/from_scwrl_1696016778.pdb > /var/tmp/scwrl_1696016778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1696016778.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 T0319 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1597067293.pdb -s /var/tmp/to_scwrl_1597067293.seq -o /var/tmp/from_scwrl_1597067293.pdb > /var/tmp/scwrl_1597067293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1597067293.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 T0319 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_99736525.pdb -s /var/tmp/to_scwrl_99736525.seq -o /var/tmp/from_scwrl_99736525.pdb > /var/tmp/scwrl_99736525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_99736525.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 T0319 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1321715506.pdb -s /var/tmp/to_scwrl_1321715506.seq -o /var/tmp/from_scwrl_1321715506.pdb > /var/tmp/scwrl_1321715506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321715506.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 T0319 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_329985960.pdb -s /var/tmp/to_scwrl_329985960.seq -o /var/tmp/from_scwrl_329985960.pdb > /var/tmp/scwrl_329985960.log Error: can't open any of /var/tmp/from_scwrl_329985960.pdb or /var/tmp/from_scwrl_329985960_b.pdb or /var/tmp/from_scwrl_329985960_a.pdb Error: no new SCWRL conformation added # 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 T0319 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1614165950.pdb -s /var/tmp/to_scwrl_1614165950.seq -o /var/tmp/from_scwrl_1614165950.pdb > /var/tmp/scwrl_1614165950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1614165950.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 T0319 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1962958618.pdb -s /var/tmp/to_scwrl_1962958618.seq -o /var/tmp/from_scwrl_1962958618.pdb > /var/tmp/scwrl_1962958618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962958618.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 T0319 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1737097366.pdb -s /var/tmp/to_scwrl_1737097366.seq -o /var/tmp/from_scwrl_1737097366.pdb > /var/tmp/scwrl_1737097366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1737097366.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 T0319 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1549152465.pdb -s /var/tmp/to_scwrl_1549152465.seq -o /var/tmp/from_scwrl_1549152465.pdb > /var/tmp/scwrl_1549152465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1549152465.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 T0319 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_337067766.pdb -s /var/tmp/to_scwrl_337067766.seq -o /var/tmp/from_scwrl_337067766.pdb > /var/tmp/scwrl_337067766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337067766.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_470155194.pdb -s /var/tmp/to_scwrl_470155194.seq -o /var/tmp/from_scwrl_470155194.pdb > /var/tmp/scwrl_470155194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_470155194.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1987203716.pdb -s /var/tmp/to_scwrl_1987203716.seq -o /var/tmp/from_scwrl_1987203716.pdb > /var/tmp/scwrl_1987203716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1987203716.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 133 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1643971908.pdb -s /var/tmp/to_scwrl_1643971908.seq -o /var/tmp/from_scwrl_1643971908.pdb > /var/tmp/scwrl_1643971908.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643971908.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 134 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_215959956.pdb -s /var/tmp/to_scwrl_215959956.seq -o /var/tmp/from_scwrl_215959956.pdb > /var/tmp/scwrl_215959956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215959956.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 131 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_441738623.pdb -s /var/tmp/to_scwrl_441738623.seq -o /var/tmp/from_scwrl_441738623.pdb > /var/tmp/scwrl_441738623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_441738623.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1889103225.pdb -s /var/tmp/to_scwrl_1889103225.seq -o /var/tmp/from_scwrl_1889103225.pdb > /var/tmp/scwrl_1889103225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1889103225.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_449192458.pdb -s /var/tmp/to_scwrl_449192458.seq -o /var/tmp/from_scwrl_449192458.pdb > /var/tmp/scwrl_449192458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_449192458.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 T0319 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1823829703.pdb -s /var/tmp/to_scwrl_1823829703.seq -o /var/tmp/from_scwrl_1823829703.pdb > /var/tmp/scwrl_1823829703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1823829703.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 T0319 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1664704657.pdb -s /var/tmp/to_scwrl_1664704657.seq -o /var/tmp/from_scwrl_1664704657.pdb > /var/tmp/scwrl_1664704657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1664704657.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 T0319 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_59909423.pdb -s /var/tmp/to_scwrl_59909423.seq -o /var/tmp/from_scwrl_59909423.pdb > /var/tmp/scwrl_59909423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_59909423.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 T0319 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_503640186.pdb -s /var/tmp/to_scwrl_503640186.seq -o /var/tmp/from_scwrl_503640186.pdb > /var/tmp/scwrl_503640186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503640186.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 T0319 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1280278689.pdb -s /var/tmp/to_scwrl_1280278689.seq -o /var/tmp/from_scwrl_1280278689.pdb > /var/tmp/scwrl_1280278689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1280278689.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 T0319 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1506859924.pdb -s /var/tmp/to_scwrl_1506859924.seq -o /var/tmp/from_scwrl_1506859924.pdb > /var/tmp/scwrl_1506859924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1506859924.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 T0319 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_400574498.pdb -s /var/tmp/to_scwrl_400574498.seq -o /var/tmp/from_scwrl_400574498.pdb > /var/tmp/scwrl_400574498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400574498.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1902684198.pdb -s /var/tmp/to_scwrl_1902684198.seq -o /var/tmp/from_scwrl_1902684198.pdb > /var/tmp/scwrl_1902684198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1902684198.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 120 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1555456052.pdb -s /var/tmp/to_scwrl_1555456052.seq -o /var/tmp/from_scwrl_1555456052.pdb > /var/tmp/scwrl_1555456052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1555456052.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 79 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1501717482.pdb -s /var/tmp/to_scwrl_1501717482.seq -o /var/tmp/from_scwrl_1501717482.pdb > /var/tmp/scwrl_1501717482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1501717482.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 76 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1546191073.pdb -s /var/tmp/to_scwrl_1546191073.seq -o /var/tmp/from_scwrl_1546191073.pdb > /var/tmp/scwrl_1546191073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1546191073.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 95 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_150656184.pdb -s /var/tmp/to_scwrl_150656184.seq -o /var/tmp/from_scwrl_150656184.pdb > /var/tmp/scwrl_150656184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150656184.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 132 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_665208059.pdb -s /var/tmp/to_scwrl_665208059.seq -o /var/tmp/from_scwrl_665208059.pdb > /var/tmp/scwrl_665208059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665208059.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_232966161.pdb -s /var/tmp/to_scwrl_232966161.seq -o /var/tmp/from_scwrl_232966161.pdb > /var/tmp/scwrl_232966161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_232966161.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1846672962.pdb -s /var/tmp/to_scwrl_1846672962.seq -o /var/tmp/from_scwrl_1846672962.pdb > /var/tmp/scwrl_1846672962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1846672962.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_114791705.pdb -s /var/tmp/to_scwrl_114791705.seq -o /var/tmp/from_scwrl_114791705.pdb > /var/tmp/scwrl_114791705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_114791705.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 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 122 ; scwrl -i /var/tmp/to_scwrl_332702686.pdb -s /var/tmp/to_scwrl_332702686.seq -o /var/tmp/from_scwrl_332702686.pdb > /var/tmp/scwrl_332702686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_332702686.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1020904822.pdb -s /var/tmp/to_scwrl_1020904822.seq -o /var/tmp/from_scwrl_1020904822.pdb > /var/tmp/scwrl_1020904822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1020904822.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_444777666.pdb -s /var/tmp/to_scwrl_444777666.seq -o /var/tmp/from_scwrl_444777666.pdb > /var/tmp/scwrl_444777666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_444777666.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 T0319 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1946868636.pdb -s /var/tmp/to_scwrl_1946868636.seq -o /var/tmp/from_scwrl_1946868636.pdb > /var/tmp/scwrl_1946868636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1946868636.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 T0319 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_836379793.pdb -s /var/tmp/to_scwrl_836379793.seq -o /var/tmp/from_scwrl_836379793.pdb > /var/tmp/scwrl_836379793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_836379793.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_34391385.pdb -s /var/tmp/to_scwrl_34391385.seq -o /var/tmp/from_scwrl_34391385.pdb > /var/tmp/scwrl_34391385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34391385.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 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1348537454.pdb -s /var/tmp/to_scwrl_1348537454.seq -o /var/tmp/from_scwrl_1348537454.pdb > /var/tmp/scwrl_1348537454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1348537454.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1173447558.pdb -s /var/tmp/to_scwrl_1173447558.seq -o /var/tmp/from_scwrl_1173447558.pdb > /var/tmp/scwrl_1173447558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1173447558.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_504546579.pdb -s /var/tmp/to_scwrl_504546579.seq -o /var/tmp/from_scwrl_504546579.pdb > /var/tmp/scwrl_504546579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504546579.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1188257524.pdb -s /var/tmp/to_scwrl_1188257524.seq -o /var/tmp/from_scwrl_1188257524.pdb > /var/tmp/scwrl_1188257524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1188257524.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_669935820.pdb -s /var/tmp/to_scwrl_669935820.seq -o /var/tmp/from_scwrl_669935820.pdb > /var/tmp/scwrl_669935820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669935820.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 T0319 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_720506536.pdb -s /var/tmp/to_scwrl_720506536.seq -o /var/tmp/from_scwrl_720506536.pdb > /var/tmp/scwrl_720506536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720506536.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 T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1629996147.pdb -s /var/tmp/to_scwrl_1629996147.seq -o /var/tmp/from_scwrl_1629996147.pdb > /var/tmp/scwrl_1629996147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1629996147.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 T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_411555399.pdb -s /var/tmp/to_scwrl_411555399.seq -o /var/tmp/from_scwrl_411555399.pdb > /var/tmp/scwrl_411555399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_411555399.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 T0319 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1169698993.pdb -s /var/tmp/to_scwrl_1169698993.seq -o /var/tmp/from_scwrl_1169698993.pdb > /var/tmp/scwrl_1169698993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1169698993.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 T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1306342203.pdb -s /var/tmp/to_scwrl_1306342203.seq -o /var/tmp/from_scwrl_1306342203.pdb > /var/tmp/scwrl_1306342203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306342203.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 T0319 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_2076260056.pdb -s /var/tmp/to_scwrl_2076260056.seq -o /var/tmp/from_scwrl_2076260056.pdb > /var/tmp/scwrl_2076260056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076260056.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1229608416.pdb -s /var/tmp/to_scwrl_1229608416.seq -o /var/tmp/from_scwrl_1229608416.pdb > /var/tmp/scwrl_1229608416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229608416.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0319 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 122 ; scwrl -i /var/tmp/to_scwrl_1809982389.pdb -s /var/tmp/to_scwrl_1809982389.seq -o /var/tmp/from_scwrl_1809982389.pdb > /var/tmp/scwrl_1809982389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809982389.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 35.976 sec, elapsed time= 309.040 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.predburial.rdb # command:# CostConform shub_TS1-scwrl costs 736.339 real_cost = 322.272 shub_TS1 costs 717.342 real_cost = 322.432 panther2_TS1-scwrl costs 1076.895 real_cost = 497.424 panther2_TS1 costs 1061.728 real_cost = 494.187 nFOLD_TS5-scwrl costs 455.298 real_cost = 285.661 nFOLD_TS5 costs 3902.247 real_cost = 361.325 nFOLD_TS4-scwrl costs 541.813 real_cost = 309.287 nFOLD_TS4 costs 10781.757 real_cost = 379.328 nFOLD_TS3-scwrl costs 823.328 real_cost = 316.296 nFOLD_TS3 costs 6824.473 real_cost = 352.902 nFOLD_TS2-scwrl costs 928.672 real_cost = 367.602 nFOLD_TS2 costs 22922.067 real_cost = 367.602 nFOLD_TS1-scwrl costs 894.029 real_cost = 342.085 nFOLD_TS1 costs 5474.020 real_cost = 342.086 mGen-3D_TS1-scwrl costs 876.103 real_cost = 457.639 mGen-3D_TS1 costs 2746.752 real_cost = 497.789 keasar-server_TS5-scwrl costs 609.165 real_cost = 277.973 keasar-server_TS5 costs 609.561 real_cost = 285.480 keasar-server_TS4-scwrl costs 627.420 real_cost = 327.676 keasar-server_TS4 costs 624.849 real_cost = 333.905 keasar-server_TS3-scwrl costs 648.670 real_cost = 302.068 keasar-server_TS3 costs 642.537 real_cost = 320.940 keasar-server_TS2-scwrl costs 473.670 real_cost = 332.631 keasar-server_TS2 costs 480.365 real_cost = 337.469 keasar-server_TS1-scwrl costs 666.377 real_cost = 326.976 keasar-server_TS1 costs 661.541 real_cost = 336.392 karypis.srv_TS5-scwrl costs 922.629 real_cost = 325.843 karypis.srv_TS5 costs 907.887 real_cost = 321.543 karypis.srv_TS4-scwrl costs 801.976 real_cost = 307.758 karypis.srv_TS4 costs 786.592 real_cost = 309.557 karypis.srv_TS3-scwrl costs 682.738 real_cost = 297.533 karypis.srv_TS3 costs 671.701 real_cost = 295.980 karypis.srv_TS2-scwrl costs 742.833 real_cost = 308.945 karypis.srv_TS2 costs 728.748 real_cost = 306.230 karypis.srv_TS1-scwrl costs 749.706 real_cost = 299.533 karypis.srv_TS1 costs 741.102 real_cost = 296.734 karypis.srv.4_TS5-scwrl costs 680.172 real_cost = 348.626 karypis.srv.4_TS5 costs 700.006 real_cost = 349.470 karypis.srv.4_TS4-scwrl costs 616.228 real_cost = 325.629 karypis.srv.4_TS4 costs 636.210 real_cost = 329.666 karypis.srv.4_TS3-scwrl costs 586.202 real_cost = 346.132 karypis.srv.4_TS3 costs 597.024 real_cost = 348.807 karypis.srv.4_TS2-scwrl costs 608.832 real_cost = 325.684 karypis.srv.4_TS2 costs 610.138 real_cost = 323.366 karypis.srv.4_TS1-scwrl costs 762.060 real_cost = 310.185 karypis.srv.4_TS1 costs 783.964 real_cost = 308.461 karypis.srv.2_TS5-scwrl costs 526.219 real_cost = 302.188 karypis.srv.2_TS5 costs 526.219 real_cost = 302.188 karypis.srv.2_TS4-scwrl costs 491.470 real_cost = 299.495 karypis.srv.2_TS4 costs 490.734 real_cost = 299.489 karypis.srv.2_TS3-scwrl costs 583.469 real_cost = 384.171 karypis.srv.2_TS3 costs 583.469 real_cost = 384.171 karypis.srv.2_TS2-scwrl costs 534.631 real_cost = 288.555 karypis.srv.2_TS2 costs 534.631 real_cost = 288.555 karypis.srv.2_TS1-scwrl costs 489.924 real_cost = 270.177 karypis.srv.2_TS1 costs 489.924 real_cost = 270.177 gtg_AL2-scwrl costs 1179.033 real_cost = 497.148 gtg_AL2 costs 3359.862 real_cost = 528.428 gtg_AL1-scwrl costs 1195.853 real_cost = 519.701 gtg_AL1 costs 40117.295 real_cost = 529.192 forecast-s_AL5-scwrl costs 788.095 real_cost = 386.051 forecast-s_AL5 costs 22057.923 real_cost = 433.480 forecast-s_AL4-scwrl costs 838.339 real_cost = 432.619 forecast-s_AL4 costs 6518.033 real_cost = 488.980 forecast-s_AL3-scwrl costs 982.690 real_cost = 471.764 forecast-s_AL3 costs 31094.770 real_cost = 513.349 forecast-s_AL2-scwrl costs 867.502 real_cost = 443.069 forecast-s_AL2 costs 51506.082 real_cost = 510.751 forecast-s_AL1-scwrl costs 704.801 real_cost = 412.917 forecast-s_AL1 costs 22183.232 real_cost = 489.546 beautshotbase_TS1-scwrl costs 767.554 real_cost = 335.214 beautshotbase_TS1 costs 742.262 real_cost = 347.628 beautshot_TS1-scwrl costs 745.924 real_cost = 330.400 beautshot_TS1 costs 723.054 real_cost = 329.483 Zhang-Server_TS5-scwrl costs 534.549 real_cost = 234.048 Zhang-Server_TS5 costs 534.921 real_cost = 241.940 Zhang-Server_TS4-scwrl costs 537.905 real_cost = 274.888 Zhang-Server_TS4 costs 520.282 real_cost = 285.351 Zhang-Server_TS3-scwrl costs 507.767 real_cost = 227.586 Zhang-Server_TS3 costs 499.510 real_cost = 225.282 Zhang-Server_TS2-scwrl costs 496.037 real_cost = 221.687 Zhang-Server_TS2 costs 513.120 real_cost = 225.158 Zhang-Server_TS1-scwrl costs 541.441 real_cost = 224.023 Zhang-Server_TS1 costs 534.767 real_cost = 228.450 UNI-EID_sfst_AL5-scwrl costs 1082.680 real_cost = 363.007 UNI-EID_sfst_AL5 costs 4858.331 real_cost = 389.919 UNI-EID_sfst_AL4-scwrl costs 1002.875 real_cost = 395.184 UNI-EID_sfst_AL4 costs 20459.658 real_cost = 424.287 UNI-EID_sfst_AL3-scwrl costs 1058.241 real_cost = 434.823 UNI-EID_sfst_AL3 costs 83055.854 real_cost = 432.835 UNI-EID_sfst_AL2-scwrl costs 1104.590 real_cost = 375.486 UNI-EID_sfst_AL2 costs 10767.549 real_cost = 392.383 UNI-EID_sfst_AL1-scwrl costs 1009.881 real_cost = 318.618 UNI-EID_sfst_AL1 costs 19765.805 real_cost = 365.754 UNI-EID_expm_TS1-scwrl costs 7665.724 real_cost = 351.132 UNI-EID_bnmx_TS5-scwrl costs 751.688 real_cost = 381.406 UNI-EID_bnmx_TS5 costs 23910.318 real_cost = 429.297 UNI-EID_bnmx_TS4-scwrl costs 1085.391 real_cost = 471.133 UNI-EID_bnmx_TS4 costs 3630.535 real_cost = 502.738 UNI-EID_bnmx_TS3-scwrl costs 836.782 real_cost = 428.145 UNI-EID_bnmx_TS3 costs 164611.440 real_cost = 476.213 UNI-EID_bnmx_TS2-scwrl costs 1005.312 real_cost = 373.118 UNI-EID_bnmx_TS2 costs 14746.589 real_cost = 405.608 UNI-EID_bnmx_TS1-scwrl costs 702.517 real_cost = 299.556 UNI-EID_bnmx_TS1 costs 25453.200 real_cost = 376.175 SPARKS2_TS5-scwrl costs 454.717 real_cost = 272.604 SPARKS2_TS5 costs 466.391 real_cost = 268.686 SPARKS2_TS4-scwrl costs 505.932 real_cost = 313.996 SPARKS2_TS4 costs 496.574 real_cost = 315.281 SPARKS2_TS3-scwrl costs 473.851 real_cost = 305.677 SPARKS2_TS3 costs 482.741 real_cost = 308.780 SPARKS2_TS2-scwrl costs 460.592 real_cost = 278.647 SPARKS2_TS2 costs 469.382 real_cost = 285.006 SPARKS2_TS1-scwrl costs 468.752 real_cost = 271.596 SPARKS2_TS1 costs 477.009 real_cost = 279.918 SP4_TS5-scwrl costs 467.302 real_cost = 252.518 SP4_TS5 costs 478.299 real_cost = 243.448 SP4_TS4-scwrl costs 482.266 real_cost = 286.847 SP4_TS4 costs 488.638 real_cost = 289.700 SP4_TS3-scwrl costs 494.769 real_cost = 259.693 SP4_TS3 costs 503.219 real_cost = 268.925 SP4_TS2-scwrl costs 489.177 real_cost = 251.756 SP4_TS2 costs 493.441 real_cost = 258.477 SP4_TS1-scwrl costs 473.731 real_cost = 255.347 SP4_TS1 costs 480.032 real_cost = 258.254 SP3_TS5-scwrl costs 476.758 real_cost = 269.932 SP3_TS5 costs 486.091 real_cost = 282.129 SP3_TS4-scwrl costs 439.326 real_cost = 242.967 SP3_TS4 costs 448.367 real_cost = 249.522 SP3_TS3-scwrl costs 467.646 real_cost = 262.542 SP3_TS3 costs 475.632 real_cost = 265.103 SP3_TS2-scwrl costs 461.220 real_cost = 234.781 SP3_TS2 costs 475.997 real_cost = 255.515 SP3_TS1-scwrl costs 519.414 real_cost = 264.080 SP3_TS1 costs 512.549 real_cost = 268.740 SAM_T06_server_TS5-scwrl costs 965.027 real_cost = 359.224 SAM_T06_server_TS5 costs 898.920 real_cost = 338.899 SAM_T06_server_TS4-scwrl costs 826.118 real_cost = 400.068 SAM_T06_server_TS4 costs 734.020 real_cost = 373.072 SAM_T06_server_TS3-scwrl costs 1079.669 real_cost = 458.004 SAM_T06_server_TS3 costs 1046.553 real_cost = 456.917 SAM_T06_server_TS2-scwrl costs 1116.080 real_cost = 391.270 SAM_T06_server_TS2 costs 1098.710 real_cost = 398.185 SAM_T06_server_TS1-scwrl costs 404.386 real_cost = 291.176 SAM_T06_server_TS1 costs 398.323 real_cost = 292.580 SAM-T02_AL5-scwrl costs 1198.793 real_cost = 461.205 SAM-T02_AL5 costs 1563.990 real_cost = 482.515 SAM-T02_AL4-scwrl costs 1226.337 real_cost = 305.784 SAM-T02_AL4 costs 1302.800 real_cost = 328.745 SAM-T02_AL3-scwrl costs 1221.946 real_cost = 305.083 SAM-T02_AL3 costs 1499.605 real_cost = 305.766 SAM-T02_AL2-scwrl costs 1129.973 real_cost = 415.686 SAM-T02_AL2 costs 2379.437 real_cost = 434.011 SAM-T02_AL1-scwrl costs 1160.064 real_cost = 318.810 SAM-T02_AL1 costs 1424.688 real_cost = 363.642 ROKKY_TS5-scwrl costs 443.449 real_cost = 287.101 ROKKY_TS5 costs 2898.491 real_cost = 369.124 ROKKY_TS4-scwrl costs 413.435 real_cost = 253.877 ROKKY_TS4 costs 3548.922 real_cost = 326.845 ROKKY_TS3-scwrl costs 444.433 real_cost = 286.502 ROKKY_TS3 costs 4308.085 real_cost = 368.465 ROKKY_TS2-scwrl costs 419.731 real_cost = 293.329 ROKKY_TS2 costs 3771.570 real_cost = 369.608 ROKKY_TS1-scwrl costs 442.964 real_cost = 282.024 ROKKY_TS1 costs 3898.889 real_cost = 358.516 ROBETTA_TS5-scwrl costs 397.262 real_cost = 249.540 ROBETTA_TS5 costs 393.407 real_cost = 254.098 ROBETTA_TS4-scwrl costs 384.448 real_cost = 211.113 ROBETTA_TS4 costs 381.915 real_cost = 214.119 ROBETTA_TS3-scwrl costs 403.938 real_cost = 215.088 ROBETTA_TS3 costs 397.166 real_cost = 209.428 ROBETTA_TS2-scwrl costs 399.459 real_cost = 215.018 ROBETTA_TS2 costs 396.656 real_cost = 216.659 ROBETTA_TS1-scwrl costs 428.907 real_cost = 244.049 ROBETTA_TS1 costs 427.061 real_cost = 250.511 RAPTOR_TS5-scwrl costs 511.621 real_cost = 289.145 RAPTOR_TS5 costs 525.842 real_cost = 298.195 RAPTOR_TS4-scwrl costs 430.187 real_cost = 263.468 RAPTOR_TS4 costs 444.405 real_cost = 265.680 RAPTOR_TS3-scwrl costs 458.806 real_cost = 233.013 RAPTOR_TS3 costs 472.404 real_cost = 233.954 RAPTOR_TS2-scwrl costs 440.956 real_cost = 257.473 RAPTOR_TS2 costs 454.249 real_cost = 257.252 RAPTOR_TS1-scwrl costs 450.888 real_cost = 270.882 RAPTOR_TS1 costs 455.564 real_cost = 267.170 RAPTORESS_TS5-scwrl costs 555.091 real_cost = 250.924 RAPTORESS_TS5 costs 551.220 real_cost = 262.755 RAPTORESS_TS4-scwrl costs 443.140 real_cost = 269.251 RAPTORESS_TS4 costs 451.827 real_cost = 266.530 RAPTORESS_TS3-scwrl costs 461.635 real_cost = 242.316 RAPTORESS_TS3 costs 471.677 real_cost = 248.080 RAPTORESS_TS2-scwrl costs 445.578 real_cost = 258.681 RAPTORESS_TS2 costs 450.670 real_cost = 263.488 RAPTORESS_TS1-scwrl costs 437.937 real_cost = 271.854 RAPTORESS_TS1 costs 447.973 real_cost = 273.531 RAPTOR-ACE_TS5-scwrl costs 514.091 real_cost = 260.305 RAPTOR-ACE_TS5 costs 524.002 real_cost = 272.624 RAPTOR-ACE_TS4-scwrl costs 476.758 real_cost = 269.932 RAPTOR-ACE_TS4 costs 486.091 real_cost = 282.129 RAPTOR-ACE_TS3-scwrl costs 437.705 real_cost = 248.060 RAPTOR-ACE_TS3 costs 438.566 real_cost = 254.257 RAPTOR-ACE_TS2-scwrl costs 458.233 real_cost = 239.197 RAPTOR-ACE_TS2 costs 457.094 real_cost = 244.975 RAPTOR-ACE_TS1-scwrl costs 439.326 real_cost = 242.967 RAPTOR-ACE_TS1 costs 448.367 real_cost = 249.522 Pmodeller6_TS5-scwrl costs 757.635 real_cost = 300.313 Pmodeller6_TS5 costs 748.429 real_cost = 298.352 Pmodeller6_TS4-scwrl costs 397.329 real_cost = 221.839 Pmodeller6_TS4 costs 389.153 real_cost = 227.290 Pmodeller6_TS3-scwrl costs 384.448 real_cost = 211.113 Pmodeller6_TS3 costs 381.915 real_cost = 214.119 Pmodeller6_TS2-scwrl costs 396.120 real_cost = 225.929 Pmodeller6_TS2 costs 393.976 real_cost = 225.932 Pmodeller6_TS1-scwrl costs 398.396 real_cost = 229.802 Pmodeller6_TS1 costs 393.893 real_cost = 234.355 Phyre-2_TS5-scwrl costs 1200.312 real_cost = 479.803 Phyre-2_TS5 costs 1207.439 real_cost = 479.427 Phyre-2_TS4-scwrl costs 472.413 real_cost = 313.925 Phyre-2_TS4 costs 510.351 real_cost = 313.027 Phyre-2_TS3-scwrl costs 481.052 real_cost = 259.660 Phyre-2_TS3 costs 519.414 real_cost = 258.895 Phyre-2_TS2-scwrl costs 458.502 real_cost = 288.293 Phyre-2_TS2 costs 494.714 real_cost = 294.340 Phyre-2_TS1-scwrl costs 451.412 real_cost = 250.294 Phyre-2_TS1 costs 485.230 real_cost = 254.662 Phyre-1_TS1-scwrl costs 1197.669 real_cost = 237.481 Phyre-1_TS1 costs 1190.788 real_cost = 248.648 Pcons6_TS5-scwrl costs 630.623 real_cost = 290.763 Pcons6_TS5 costs 619.201 real_cost = 287.706 Pcons6_TS4-scwrl costs 418.648 real_cost = 196.725 Pcons6_TS4 costs 416.794 real_cost = 196.594 Pcons6_TS3-scwrl costs 712.539 real_cost = 272.462 Pcons6_TS3 costs 703.806 real_cost = 271.602 Pcons6_TS2-scwrl costs 513.268 real_cost = 253.623 Pcons6_TS2 costs 505.368 real_cost = 251.961 Pcons6_TS1-scwrl costs 399.459 real_cost = 215.018 Pcons6_TS1 costs 396.656 real_cost = 216.659 PROTINFO_TS5-scwrl costs 465.004 real_cost = 248.294 PROTINFO_TS5 costs 479.512 real_cost = 249.861 PROTINFO_TS4-scwrl costs 692.085 real_cost = 318.892 PROTINFO_TS4 costs 683.503 real_cost = 320.843 PROTINFO_TS3-scwrl costs 465.863 real_cost = 302.120 PROTINFO_TS3 costs 470.583 real_cost = 303.430 PROTINFO_TS2-scwrl costs 467.165 real_cost = 342.832 PROTINFO_TS2 costs 471.209 real_cost = 342.500 PROTINFO_TS1-scwrl costs 461.801 real_cost = 252.467 PROTINFO_TS1 costs 475.530 real_cost = 254.048 PROTINFO-AB_TS5-scwrl costs 467.360 real_cost = 251.595 PROTINFO-AB_TS5 costs 481.441 real_cost = 248.482 PROTINFO-AB_TS4-scwrl costs 463.756 real_cost = 251.159 PROTINFO-AB_TS4 costs 479.553 real_cost = 256.004 PROTINFO-AB_TS3-scwrl costs 460.779 real_cost = 258.707 PROTINFO-AB_TS3 costs 478.585 real_cost = 256.080 PROTINFO-AB_TS2-scwrl costs 464.199 real_cost = 249.046 PROTINFO-AB_TS2 costs 484.812 real_cost = 252.475 PROTINFO-AB_TS1-scwrl costs 457.053 real_cost = 250.217 PROTINFO-AB_TS1 costs 473.644 real_cost = 249.346 POMYSL_TS5-scwrl costs 531.867 real_cost = 338.928 POMYSL_TS5 costs 539.666 real_cost = 343.688 POMYSL_TS4-scwrl costs 1092.093 real_cost = 484.791 POMYSL_TS3-scwrl costs 571.630 real_cost = 329.586 POMYSL_TS3 costs 562.652 real_cost = 333.348 POMYSL_TS2-scwrl costs 572.150 real_cost = 326.832 POMYSL_TS2 costs 560.577 real_cost = 333.308 POMYSL_TS1-scwrl costs 535.440 real_cost = 308.822 POMYSL_TS1 costs 547.201 real_cost = 324.540 NN_PUT_lab_TS1-scwrl costs 894.029 real_cost = 342.085 NN_PUT_lab_TS1 costs 5474.020 real_cost = 342.086 MetaTasser_TS5-scwrl costs 668.630 real_cost = 235.552 MetaTasser_TS5 costs 669.326 real_cost = 228.813 MetaTasser_TS4-scwrl costs 594.024 real_cost = 243.949 MetaTasser_TS4 costs 617.660 real_cost = 242.189 MetaTasser_TS3-scwrl costs 605.164 real_cost = 233.958 MetaTasser_TS3 costs 617.300 real_cost = 236.782 MetaTasser_TS2-scwrl costs 631.945 real_cost = 238.369 MetaTasser_TS2 costs 643.208 real_cost = 244.994 MetaTasser_TS1-scwrl costs 620.902 real_cost = 247.721 MetaTasser_TS1 costs 671.700 real_cost = 249.336 Ma-OPUS-server_TS5-scwrl costs 494.996 real_cost = 315.980 Ma-OPUS-server_TS5 costs 503.635 real_cost = 306.099 Ma-OPUS-server_TS4-scwrl costs 489.184 real_cost = 279.612 Ma-OPUS-server_TS4 costs 503.130 real_cost = 285.480 Ma-OPUS-server_TS3-scwrl costs 452.638 real_cost = 270.298 Ma-OPUS-server_TS3 costs 459.701 real_cost = 264.311 Ma-OPUS-server_TS2-scwrl costs 441.149 real_cost = 223.798 Ma-OPUS-server_TS2 costs 448.168 real_cost = 242.441 Ma-OPUS-server_TS1-scwrl costs 444.371 real_cost = 253.181 Ma-OPUS-server_TS1 costs 453.391 real_cost = 249.788 MIG_FROST_FLEX_AL1-scwrl costs 1125.101 real_cost = 353.097 MIG_FROST_FLEX_AL1 costs 55326.108 real_cost = 381.900 LOOPP_TS5-scwrl costs 489.386 real_cost = 278.466 LOOPP_TS5 costs 486.484 real_cost = 280.786 LOOPP_TS4-scwrl costs 580.697 real_cost = 262.041 LOOPP_TS4 costs 571.396 real_cost = 265.616 LOOPP_TS3-scwrl costs 592.329 real_cost = 260.173 LOOPP_TS3 costs 581.963 real_cost = 262.873 LOOPP_TS2-scwrl costs 507.388 real_cost = 254.404 LOOPP_TS2 costs 488.890 real_cost = 252.057 LOOPP_TS1-scwrl costs 513.538 real_cost = 277.949 LOOPP_TS1 costs 499.319 real_cost = 287.615 Huber-Torda-Server_TS5-scwrl costs 843.874 real_cost = 367.286 Huber-Torda-Server_TS5 costs 83953.301 real_cost = 396.506 Huber-Torda-Server_TS4-scwrl costs 821.889 real_cost = 371.641 Huber-Torda-Server_TS4 costs 14312.704 real_cost = 422.150 Huber-Torda-Server_TS3-scwrl costs 728.195 real_cost = 384.824 Huber-Torda-Server_TS3 costs 12313.651 real_cost = 422.298 Huber-Torda-Server_TS2-scwrl costs 696.243 real_cost = 324.495 Huber-Torda-Server_TS2 costs 12235.012 real_cost = 369.361 Huber-Torda-Server_TS1-scwrl costs 828.174 real_cost = 340.167 Huber-Torda-Server_TS1 costs 24680.492 real_cost = 375.322 HHpred3_TS1-scwrl costs 505.256 real_cost = 304.168 HHpred3_TS1 costs 517.924 real_cost = 297.632 HHpred2_TS1-scwrl costs 615.289 real_cost = 397.344 HHpred2_TS1 costs 626.673 real_cost = 401.032 HHpred1_TS1-scwrl costs 674.224 real_cost = 382.968 HHpred1_TS1 costs 692.328 real_cost = 410.814 GeneSilicoMetaServer_TS5-scwrl costs 602.276 real_cost = 296.425 GeneSilicoMetaServer_TS4-scwrl costs 489.539 real_cost = 297.357 GeneSilicoMetaServer_TS4 costs 494.654 real_cost = 296.185 GeneSilicoMetaServer_TS3-scwrl costs 404.726 real_cost = 273.396 GeneSilicoMetaServer_TS3 costs 420.888 real_cost = 275.816 GeneSilicoMetaServer_TS2-scwrl costs 408.496 real_cost = 289.184 GeneSilicoMetaServer_TS2 costs 420.228 real_cost = 289.443 GeneSilicoMetaServer_TS1-scwrl costs 459.230 real_cost = 270.220 GeneSilicoMetaServer_TS1 costs 472.396 real_cost = 271.945 FUNCTION_TS5-scwrl costs 507.752 real_cost = 275.875 FUNCTION_TS5 costs 507.980 real_cost = 286.069 FUNCTION_TS4-scwrl costs 509.352 real_cost = 268.616 FUNCTION_TS4 costs 511.613 real_cost = 268.988 FUNCTION_TS3-scwrl costs 471.469 real_cost = 298.374 FUNCTION_TS3 costs 485.288 real_cost = 296.773 FUNCTION_TS2-scwrl costs 456.294 real_cost = 274.212 FUNCTION_TS2 costs 457.296 real_cost = 274.816 FUNCTION_TS1-scwrl costs 435.265 real_cost = 266.084 FUNCTION_TS1 costs 445.188 real_cost = 266.225 FUGUE_AL5-scwrl costs 653.555 real_cost = 377.773 FUGUE_AL5 costs 45321.550 real_cost = 446.520 FUGUE_AL4-scwrl costs 821.177 real_cost = 399.350 FUGUE_AL4 costs 28262.910 real_cost = 464.921 FUGUE_AL3-scwrl costs 509.656 real_cost = 339.990 FUGUE_AL3 costs 26164.612 real_cost = 440.016 FUGUE_AL2-scwrl costs 736.031 real_cost = 400.032 FUGUE_AL2 costs 6426.462 real_cost = 466.178 FUGUE_AL1-scwrl costs 749.894 real_cost = 370.795 FUGUE_AL1 costs 178783.248 real_cost = 435.222 FUGMOD_TS5-scwrl costs 484.908 real_cost = 342.334 FUGMOD_TS5 costs 495.777 real_cost = 346.653 FUGMOD_TS4-scwrl costs 564.806 real_cost = 352.737 FUGMOD_TS4 costs 563.584 real_cost = 350.654 FUGMOD_TS3-scwrl costs 451.528 real_cost = 334.329 FUGMOD_TS3 costs 462.328 real_cost = 331.255 FUGMOD_TS2-scwrl costs 460.394 real_cost = 321.335 FUGMOD_TS2 costs 473.652 real_cost = 322.646 FUGMOD_TS1-scwrl costs 626.503 real_cost = 341.136 FUGMOD_TS1 costs 631.483 real_cost = 338.563 FPSOLVER-SERVER_TS5-scwrl costs 449.741 real_cost = 301.143 FPSOLVER-SERVER_TS5 costs 454.934 real_cost = 303.448 FPSOLVER-SERVER_TS4-scwrl costs 453.771 real_cost = 297.432 FPSOLVER-SERVER_TS4 costs 455.888 real_cost = 298.745 FPSOLVER-SERVER_TS3-scwrl costs 474.982 real_cost = 336.783 FPSOLVER-SERVER_TS3 costs 479.604 real_cost = 338.470 FPSOLVER-SERVER_TS2-scwrl costs 468.604 real_cost = 299.616 FPSOLVER-SERVER_TS2 costs 473.250 real_cost = 303.529 FPSOLVER-SERVER_TS1-scwrl costs 467.714 real_cost = 277.544 FPSOLVER-SERVER_TS1 costs 467.938 real_cost = 277.805 FORTE2_AL5-scwrl costs 621.556 real_cost = 322.469 FORTE2_AL5 costs 40511.250 real_cost = 408.672 FORTE2_AL4-scwrl costs 545.364 real_cost = 321.180 FORTE2_AL4 costs 62806.424 real_cost = 417.199 FORTE2_AL3-scwrl costs 25567.273 real_cost = 444.372 FORTE2_AL2-scwrl costs 580.825 real_cost = 346.216 FORTE2_AL2 costs 9190.573 real_cost = 406.168 FORTE2_AL1-scwrl costs 641.075 real_cost = 335.598 FORTE2_AL1 costs 29816.671 real_cost = 410.144 FORTE1_AL5-scwrl costs 504.054 real_cost = 291.507 FORTE1_AL5 costs 17703.758 real_cost = 380.565 FORTE1_AL4-scwrl costs 545.364 real_cost = 321.180 FORTE1_AL4 costs 62806.424 real_cost = 417.199 FORTE1_AL3-scwrl costs 25567.273 real_cost = 444.372 FORTE1_AL2-scwrl costs 580.825 real_cost = 346.216 FORTE1_AL2 costs 9190.573 real_cost = 406.168 FORTE1_AL1-scwrl costs 641.075 real_cost = 335.598 FORTE1_AL1 costs 29816.671 real_cost = 410.144 FOLDpro_TS5-scwrl costs 510.587 real_cost = 361.989 FOLDpro_TS5 costs 519.367 real_cost = 359.972 FOLDpro_TS4-scwrl costs 449.538 real_cost = 299.606 FOLDpro_TS4 costs 460.704 real_cost = 304.898 FOLDpro_TS3-scwrl costs 473.648 real_cost = 338.508 FOLDpro_TS3 costs 486.715 real_cost = 341.350 FOLDpro_TS2-scwrl costs 454.894 real_cost = 315.752 FOLDpro_TS2 costs 470.952 real_cost = 312.923 FOLDpro_TS1-scwrl costs 453.725 real_cost = 314.104 FOLDpro_TS1 costs 461.369 real_cost = 312.076 FAMS_TS5-scwrl costs 528.395 real_cost = 278.171 FAMS_TS5 costs 521.894 real_cost = 284.437 FAMS_TS4-scwrl costs 512.062 real_cost = 290.215 FAMS_TS4 costs 511.927 real_cost = 290.737 FAMS_TS3-scwrl costs 507.752 real_cost = 275.875 FAMS_TS3 costs 507.980 real_cost = 286.069 FAMS_TS2-scwrl costs 476.665 real_cost = 272.425 FAMS_TS2 costs 482.120 real_cost = 272.991 FAMS_TS1-scwrl costs 484.854 real_cost = 232.923 FAMS_TS1 costs 492.455 real_cost = 236.978 FAMSD_TS5-scwrl costs 528.395 real_cost = 278.171 FAMSD_TS5 costs 521.894 real_cost = 284.437 FAMSD_TS4-scwrl costs 512.062 real_cost = 290.215 FAMSD_TS4 costs 511.927 real_cost = 290.737 FAMSD_TS3-scwrl costs 470.727 real_cost = 228.690 FAMSD_TS3 costs 475.008 real_cost = 226.266 FAMSD_TS2-scwrl costs 476.947 real_cost = 283.991 FAMSD_TS2 costs 488.999 real_cost = 282.593 FAMSD_TS1-scwrl costs 512.482 real_cost = 223.191 FAMSD_TS1 costs 522.512 real_cost = 242.406 Distill_TS5-scwrl costs 2286.197 real_cost = 402.731 Distill_TS4-scwrl costs 2271.293 real_cost = 396.847 Distill_TS3-scwrl costs 2267.644 real_cost = 402.779 Distill_TS2-scwrl costs 2284.783 real_cost = 392.607 Distill_TS1-scwrl costs 2268.729 real_cost = 407.409 CaspIta-FOX_TS5-scwrl costs 769.606 real_cost = 458.369 CaspIta-FOX_TS5 costs 4268.561 real_cost = 440.797 CaspIta-FOX_TS4-scwrl costs 583.644 real_cost = 277.188 CaspIta-FOX_TS4 costs 566.322 real_cost = 278.337 CaspIta-FOX_TS3-scwrl costs 712.544 real_cost = 306.170 CaspIta-FOX_TS3 costs 1447.338 real_cost = 295.203 CaspIta-FOX_TS2-scwrl costs 711.193 real_cost = 337.995 CaspIta-FOX_TS2 costs 696.749 real_cost = 335.936 CaspIta-FOX_TS1-scwrl costs 888.794 real_cost = 420.151 CaspIta-FOX_TS1 costs 871.023 real_cost = 415.434 CIRCLE_TS5-scwrl costs 476.665 real_cost = 272.425 CIRCLE_TS5 costs 482.120 real_cost = 272.991 CIRCLE_TS4-scwrl costs 512.482 real_cost = 223.191 CIRCLE_TS4 costs 522.512 real_cost = 242.406 CIRCLE_TS3-scwrl costs 480.154 real_cost = 225.528 CIRCLE_TS3 costs 492.332 real_cost = 233.248 CIRCLE_TS2-scwrl costs 456.372 real_cost = 232.188 CIRCLE_TS2 costs 466.423 real_cost = 239.791 CIRCLE_TS1-scwrl costs 444.378 real_cost = 240.684 CIRCLE_TS1 costs 460.316 real_cost = 248.073 Bilab-ENABLE_TS5-scwrl costs 430.137 real_cost = 224.363 Bilab-ENABLE_TS5 costs 430.137 real_cost = 224.363 Bilab-ENABLE_TS4-scwrl costs 463.104 real_cost = 209.401 Bilab-ENABLE_TS4 costs 461.366 real_cost = 208.080 Bilab-ENABLE_TS3-scwrl costs 455.424 real_cost = 199.285 Bilab-ENABLE_TS3 costs 455.424 real_cost = 199.285 Bilab-ENABLE_TS2-scwrl costs 457.157 real_cost = 231.876 Bilab-ENABLE_TS2 costs 457.157 real_cost = 231.876 Bilab-ENABLE_TS1-scwrl costs 576.697 real_cost = 257.622 Bilab-ENABLE_TS1 costs 577.685 real_cost = 257.631 BayesHH_TS1-scwrl costs 832.814 real_cost = 356.173 BayesHH_TS1 costs 802.547 real_cost = 356.188 ABIpro_TS5-scwrl costs 460.888 real_cost = 251.328 ABIpro_TS5 costs 460.888 real_cost = 251.328 ABIpro_TS4-scwrl costs 500.959 real_cost = 259.448 ABIpro_TS4 costs 500.847 real_cost = 259.451 ABIpro_TS3-scwrl costs 485.858 real_cost = 277.500 ABIpro_TS3 costs 485.858 real_cost = 277.500 ABIpro_TS2-scwrl costs 523.764 real_cost = 234.206 ABIpro_TS2 costs 523.764 real_cost = 234.206 ABIpro_TS1-scwrl costs 501.992 real_cost = 249.964 ABIpro_TS1 costs 497.529 real_cost = 250.482 3Dpro_TS5-scwrl costs 851.732 real_cost = 448.048 3Dpro_TS5 costs 935.998 real_cost = 448.077 3Dpro_TS4-scwrl costs 458.195 real_cost = 290.104 3Dpro_TS4 costs 472.166 real_cost = 295.422 3Dpro_TS3-scwrl costs 523.764 real_cost = 234.206 3Dpro_TS3 costs 523.764 real_cost = 234.206 3Dpro_TS2-scwrl costs 512.950 real_cost = 341.574 3Dpro_TS2 costs 516.741 real_cost = 339.244 3Dpro_TS1-scwrl costs 501.992 real_cost = 249.964 3Dpro_TS1 costs 497.529 real_cost = 250.482 3D-JIGSAW_TS5-scwrl costs 661.264 real_cost = 273.092 3D-JIGSAW_TS5 costs 613.313 real_cost = 270.471 3D-JIGSAW_TS4-scwrl costs 564.991 real_cost = 269.134 3D-JIGSAW_TS4 costs 543.072 real_cost = 266.631 3D-JIGSAW_TS3-scwrl costs 569.299 real_cost = 266.601 3D-JIGSAW_TS3 costs 565.743 real_cost = 273.474 3D-JIGSAW_TS2-scwrl costs 737.180 real_cost = 225.223 3D-JIGSAW_TS2 costs 726.422 real_cost = 252.852 3D-JIGSAW_TS1-scwrl costs 497.489 real_cost = 291.846 3D-JIGSAW_TS1 costs 509.642 real_cost = 299.467 3D-JIGSAW_RECOM_TS5-scwrl costs 698.304 real_cost = 296.990 3D-JIGSAW_RECOM_TS5 costs 686.424 real_cost = 298.523 3D-JIGSAW_RECOM_TS4-scwrl costs 730.792 real_cost = 306.803 3D-JIGSAW_RECOM_TS4 costs 697.540 real_cost = 307.134 3D-JIGSAW_RECOM_TS3-scwrl costs 733.407 real_cost = 323.123 3D-JIGSAW_RECOM_TS3 costs 702.712 real_cost = 322.551 3D-JIGSAW_RECOM_TS2-scwrl costs 703.621 real_cost = 294.377 3D-JIGSAW_RECOM_TS2 costs 688.504 real_cost = 297.929 3D-JIGSAW_RECOM_TS1-scwrl costs 685.358 real_cost = 295.777 3D-JIGSAW_RECOM_TS1 costs 666.282 real_cost = 298.825 3D-JIGSAW_POPULUS_TS5-scwrl costs 531.709 real_cost = 256.452 3D-JIGSAW_POPULUS_TS5 costs 518.459 real_cost = 256.178 3D-JIGSAW_POPULUS_TS4-scwrl costs 468.988 real_cost = 264.887 3D-JIGSAW_POPULUS_TS4 costs 468.988 real_cost = 264.887 3D-JIGSAW_POPULUS_TS3-scwrl costs 713.318 real_cost = 302.633 3D-JIGSAW_POPULUS_TS3 costs 699.213 real_cost = 303.612 3D-JIGSAW_POPULUS_TS2-scwrl costs 715.282 real_cost = 300.273 3D-JIGSAW_POPULUS_TS2 costs 701.590 real_cost = 301.153 3D-JIGSAW_POPULUS_TS1-scwrl costs 717.312 real_cost = 304.496 3D-JIGSAW_POPULUS_TS1 costs 703.136 real_cost = 305.144 T0319.try9-opt2.repack-nonPC.pdb.gz costs 393.389 real_cost = 282.231 T0319.try9-opt2.pdb.gz costs 392.360 real_cost = 282.413 T0319.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 421.050 real_cost = 285.854 T0319.try9-opt2.gromacs0.pdb.gz costs 419.747 real_cost = 286.541 T0319.try9-opt1.pdb.gz costs 405.093 real_cost = 286.944 T0319.try9-opt1-scwrl.pdb.gz costs 407.363 real_cost = 288.494 T0319.try8-opt2.repack-nonPC.pdb.gz costs 385.984 real_cost = 272.226 T0319.try8-opt2.pdb.gz costs 384.131 real_cost = 271.254 T0319.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 407.076 real_cost = 268.510 T0319.try8-opt2.gromacs0.pdb.gz costs 405.277 real_cost = 269.119 T0319.try8-opt1.pdb.gz costs 399.185 real_cost = 273.350 T0319.try8-opt1-scwrl.pdb.gz costs 399.164 real_cost = 273.527 T0319.try7-opt2.repack-nonPC.pdb.gz costs 403.659 real_cost = 267.434 T0319.try7-opt2.pdb.gz costs 398.969 real_cost = 267.581 T0319.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 414.180 real_cost = 265.708 T0319.try7-opt2.gromacs0.pdb.gz costs 411.265 real_cost = 267.884 T0319.try7-opt1.pdb.gz costs 407.036 real_cost = 266.104 T0319.try7-opt1-scwrl.pdb.gz costs 410.379 real_cost = 269.956 T0319.try6-opt2.repack-nonPC.pdb.gz costs 388.196 real_cost = 264.410 T0319.try6-opt2.pdb.gz costs 383.203 real_cost = 261.079 T0319.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 406.189 real_cost = 263.502 T0319.try6-opt2.gromacs0.pdb.gz costs 403.723 real_cost = 261.483 T0319.try6-opt1.pdb.gz costs 390.957 real_cost = 263.183 T0319.try6-opt1-scwrl.pdb.gz costs 395.051 real_cost = 267.340 T0319.try5-opt2.repack-nonPC.pdb.gz costs 389.623 real_cost = 276.100 T0319.try5-opt2.pdb.gz costs 385.816 real_cost = 277.297 T0319.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 410.565 real_cost = 277.021 T0319.try5-opt2.gromacs0.pdb.gz costs 408.329 real_cost = 275.410 T0319.try5-opt1.pdb.gz costs 394.419 real_cost = 277.191 T0319.try5-opt1-scwrl.pdb.gz costs 393.545 real_cost = 276.620 T0319.try4-opt2.repack-nonPC.pdb.gz costs 387.695 real_cost = 245.813 T0319.try4-opt2.pdb.gz costs 385.255 real_cost = 246.986 T0319.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 404.889 real_cost = 249.305 T0319.try4-opt2.gromacs0.pdb.gz costs 403.381 real_cost = 247.900 T0319.try4-opt1.pdb.gz costs 393.875 real_cost = 249.052 T0319.try4-opt1-scwrl.pdb.gz costs 395.123 real_cost = 249.918 T0319.try3-opt2.repack-nonPC.pdb.gz costs 377.035 real_cost = 284.356 T0319.try3-opt2.pdb.gz costs 373.848 real_cost = 283.856 T0319.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 399.790 real_cost = 281.487 T0319.try3-opt2.gromacs0.pdb.gz costs 398.052 real_cost = 279.840 T0319.try3-opt1.pdb.gz costs 385.831 real_cost = 282.642 T0319.try3-opt1-scwrl.pdb.gz costs 386.920 real_cost = 283.039 T0319.try2-opt2.repack-nonPC.pdb.gz costs 403.346 real_cost = 313.872 T0319.try2-opt2.pdb.gz costs 400.199 real_cost = 313.866 T0319.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 437.173 real_cost = 312.421 T0319.try2-opt2.gromacs0.pdb.gz costs 437.738 real_cost = 312.234 T0319.try2-opt1.pdb.gz costs 416.558 real_cost = 314.684 T0319.try2-opt1-scwrl.pdb.gz costs 420.947 real_cost = 314.927 T0319.try13-opt2.repack-nonPC.pdb.gz costs 413.720 real_cost = 269.964 T0319.try13-opt2.pdb.gz costs 409.910 real_cost = 269.201 T0319.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 424.804 real_cost = 271.405 T0319.try13-opt2.gromacs0.pdb.gz costs 425.733 real_cost = 270.387 T0319.try13-opt1.pdb.gz costs 417.548 real_cost = 269.595 T0319.try13-opt1-scwrl.pdb.gz costs 418.025 real_cost = 271.378 T0319.try12-opt2.repack-nonPC.pdb.gz costs 386.321 real_cost = 307.590 T0319.try12-opt2.pdb.gz costs 382.630 real_cost = 306.759 T0319.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 409.007 real_cost = 305.676 T0319.try12-opt2.gromacs0.pdb.gz costs 408.692 real_cost = 304.996 T0319.try12-opt1.pdb.gz costs 404.364 real_cost = 304.073 T0319.try12-opt1-scwrl.pdb.gz costs 404.982 real_cost = 304.139 T0319.try11-opt2.repack-nonPC.pdb.gz costs 405.921 real_cost = 294.373 T0319.try11-opt2.pdb.gz costs 403.719 real_cost = 298.719 T0319.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 432.917 real_cost = 297.923 T0319.try11-opt2.gromacs0.pdb.gz costs 432.388 real_cost = 300.511 T0319.try11-opt1.pdb.gz costs 424.279 real_cost = 296.037 T0319.try11-opt1-scwrl.pdb.gz costs 430.821 real_cost = 295.602 T0319.try10-opt2.repack-nonPC.pdb.gz costs 411.804 real_cost = 246.968 T0319.try10-opt2.pdb.gz costs 407.371 real_cost = 246.820 T0319.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 425.929 real_cost = 243.850 T0319.try10-opt2.gromacs0.pdb.gz costs 424.311 real_cost = 245.091 T0319.try10-opt1.pdb.gz costs 420.675 real_cost = 242.884 T0319.try10-opt1-scwrl.pdb.gz costs 423.525 real_cost = 238.807 T0319.try1-opt2.repack-nonPC.pdb.gz costs 380.599 real_cost = 249.164 T0319.try1-opt2.pdb.gz costs 377.711 real_cost = 247.814 T0319.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 392.584 real_cost = 245.951 T0319.try1-opt2.gromacs0.pdb.gz costs 390.503 real_cost = 243.814 T0319.try1-opt1.pdb.gz costs 390.578 real_cost = 249.343 T0319.try1-opt1-scwrl.pdb.gz costs 392.893 real_cost = 246.970 ../model5.ts-submitted costs 373.809 real_cost = 283.846 ../model4.ts-submitted costs 384.139 real_cost = 270.796 ../model3.ts-submitted costs 383.264 real_cost = 261.081 ../model2.ts-submitted costs 385.283 real_cost = 246.966 ../model1.ts-submitted costs 377.758 real_cost = 247.757 align5 costs 982.848 real_cost = 325.209 align4 costs 1099.700 real_cost = 346.972 align3 costs 1097.128 real_cost = 350.050 align2 costs 1156.914 real_cost = 452.406 align1 costs 1132.060 real_cost = 507.576 T0319.try1-opt2.pdb costs 377.711 real_cost = 247.825 model5-scwrl costs 376.526 real_cost = 284.577 model5.ts-submitted costs 373.809 real_cost = 283.846 model4-scwrl costs 388.066 real_cost = 270.924 model4.ts-submitted costs 384.139 real_cost = 270.796 model3-scwrl costs 389.326 real_cost = 264.941 model3.ts-submitted costs 383.264 real_cost = 261.081 model2-scwrl costs 389.675 real_cost = 248.115 model2.ts-submitted costs 385.283 real_cost = 246.966 model1-scwrl costs 385.881 real_cost = 249.149 model1.ts-submitted costs 377.758 real_cost = 247.766 2j6aA costs 340.463 real_cost = -895.000 # command:CPU_time= 353.440 sec, elapsed time= 1072.733 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.predburial.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.predburial.rdb mv -f decoys/evaluate.predburial.pretty decoys/evaluate.predburial.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.predburial.rdb > decoys/evaluate.predburial.pretty make[1]: Leaving directory `/projects/compbio/experiments/protein-predict/casp7/T0319'