make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0300' 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/T0300.} ;\ 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/T0300/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2h3rA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174200101 # 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= 6.13007 sec, elapsed time= 12.7002 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= 6.21006 sec, elapsed time= 12.8865 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0300 numbered 1 through 102 Created new target T0300 from T0300.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file predburial.costfcn # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-near-backbone-2spot.hist # created burial cost function nb11 with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 5 alphabets from two-spot-burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_nb11_2k # created predicted BurialPredCostFcn pred_nb11_2k_simple # created predicted BurialPredCostFcn pred_nb11_04 # created predicted BurialPredCostFcn pred_nb11_04_simple # created predicted BurialPredCostFcn pred_nb11_06 # created predicted BurialPredCostFcn pred_nb11_06_simple # reading predictions from T0300.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 T0300.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 T0300.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= 8.91065 sec, elapsed time= 18.5207 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 97 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -44.1011 # GDT_score(maxd=8,maxw=2.9)= -43.7953 # GDT_score(maxd=8,maxw=3.2)= -43.1656 # GDT_score(maxd=8,maxw=3.5)= -42.6017 # GDT_score(maxd=10,maxw=3.8)= -44.0291 # GDT_score(maxd=10,maxw=4)= -43.5031 # GDT_score(maxd=10,maxw=4.2)= -42.9296 # GDT_score(maxd=12,maxw=4.3)= -44.4596 # GDT_score(maxd=12,maxw=4.5)= -43.8567 # GDT_score(maxd=12,maxw=4.7)= -43.1895 # GDT_score(maxd=14,maxw=5.2)= -43.1715 # GDT_score(maxd=14,maxw=5.5)= -41.8469 # 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 17.826 -7.583 20.009 1.00 0.00 ATOM 2 CA MET A 1 19.057 -8.030 19.364 1.00 0.00 ATOM 3 CB MET A 1 20.078 -8.483 20.411 1.00 0.00 ATOM 4 CG MET A 1 20.597 -7.362 21.296 1.00 0.00 ATOM 5 SD MET A 1 21.477 -6.092 20.367 1.00 0.00 ATOM 6 CE MET A 1 22.940 -6.997 19.860 1.00 0.00 ATOM 7 O MET A 1 17.667 -9.748 18.429 1.00 0.00 ATOM 8 C MET A 1 18.775 -9.202 18.428 1.00 0.00 ATOM 9 N ALA A 2 19.766 -9.565 17.616 1.00 0.00 ATOM 10 CA ALA A 2 19.620 -10.669 16.669 1.00 0.00 ATOM 11 CB ALA A 2 20.875 -10.828 15.826 1.00 0.00 ATOM 12 O ALA A 2 18.567 -12.812 16.875 1.00 0.00 ATOM 13 C ALA A 2 19.333 -11.995 17.383 1.00 0.00 ATOM 14 N SER A 3 19.930 -12.212 18.554 1.00 0.00 ATOM 15 CA SER A 3 19.637 -13.428 19.336 1.00 0.00 ATOM 16 CB SER A 3 20.428 -13.500 20.632 1.00 0.00 ATOM 17 OG SER A 3 19.855 -12.724 21.687 1.00 0.00 ATOM 18 O SER A 3 17.640 -14.612 19.928 1.00 0.00 ATOM 19 C SER A 3 18.160 -13.520 19.706 1.00 0.00 ATOM 20 N LYS A 4 17.515 -12.353 19.778 1.00 0.00 ATOM 21 CA LYS A 4 16.100 -12.325 20.126 1.00 0.00 ATOM 22 CB LYS A 4 15.553 -10.942 20.421 1.00 0.00 ATOM 23 CG LYS A 4 16.354 -10.262 21.552 1.00 0.00 ATOM 24 CD LYS A 4 15.600 -9.716 22.740 1.00 0.00 ATOM 25 CE LYS A 4 16.527 -9.002 23.725 1.00 0.00 ATOM 26 NZ LYS A 4 16.114 -7.584 23.966 1.00 0.00 ATOM 27 O LYS A 4 14.117 -13.245 19.184 1.00 0.00 ATOM 28 C LYS A 4 15.254 -12.837 18.980 1.00 0.00 ATOM 29 N LYS A 5 15.763 -12.721 17.756 1.00 0.00 ATOM 30 CA LYS A 5 15.153 -13.282 16.555 1.00 0.00 ATOM 31 CB LYS A 5 14.992 -12.186 15.499 1.00 0.00 ATOM 32 CG LYS A 5 14.067 -11.053 15.916 1.00 0.00 ATOM 33 CD LYS A 5 13.884 -10.048 14.790 1.00 0.00 ATOM 34 CE LYS A 5 13.017 -8.879 15.231 1.00 0.00 ATOM 35 NZ LYS A 5 12.806 -7.900 14.130 1.00 0.00 ATOM 36 O LYS A 5 16.950 -14.121 15.191 1.00 0.00 ATOM 37 C LYS A 5 16.043 -14.372 16.033 1.00 0.00 ATOM 38 N PRO A 6 16.158 -15.529 16.809 1.00 0.00 ATOM 39 CA PRO A 6 17.189 -16.541 16.608 1.00 0.00 ATOM 40 CB PRO A 6 16.843 -17.628 17.629 1.00 0.00 ATOM 41 CG PRO A 6 16.111 -16.908 18.709 1.00 0.00 ATOM 42 CD PRO A 6 15.287 -15.854 18.024 1.00 0.00 ATOM 43 O PRO A 6 18.270 -17.368 14.624 1.00 0.00 ATOM 44 C PRO A 6 17.201 -17.089 15.179 1.00 0.00 ATOM 45 N ASP A 7 16.021 -17.216 14.576 1.00 0.00 ATOM 46 CA ASP A 7 15.927 -17.713 13.211 1.00 0.00 ATOM 47 CB ASP A 7 14.461 -17.921 12.823 1.00 0.00 ATOM 48 CG ASP A 7 13.837 -19.112 13.528 1.00 0.00 ATOM 49 OD1 ASP A 7 14.589 -19.915 14.117 1.00 0.00 ATOM 50 OD2 ASP A 7 12.595 -19.240 13.487 1.00 0.00 ATOM 51 O ASP A 7 17.314 -17.062 11.373 1.00 0.00 ATOM 52 C ASP A 7 16.564 -16.708 12.287 1.00 0.00 ATOM 53 N LYS A 8 16.301 -15.372 12.571 1.00 0.00 ATOM 54 CA LYS A 8 16.862 -14.315 11.742 1.00 0.00 ATOM 55 CB LYS A 8 16.073 -12.997 12.017 1.00 0.00 ATOM 56 CG LYS A 8 14.570 -13.141 12.063 1.00 0.00 ATOM 57 CD LYS A 8 14.029 -13.994 10.926 1.00 0.00 ATOM 58 CE LYS A 8 14.141 -13.306 9.582 1.00 0.00 ATOM 59 NZ LYS A 8 13.250 -13.956 8.583 1.00 0.00 ATOM 60 O LYS A 8 19.102 -14.052 10.911 1.00 0.00 ATOM 61 C LYS A 8 18.384 -14.302 11.881 1.00 0.00 ATOM 62 N THR A 9 18.873 -14.593 13.073 1.00 0.00 ATOM 63 CA THR A 9 20.312 -14.649 13.300 1.00 0.00 ATOM 64 CB THR A 9 20.641 -14.805 14.797 1.00 0.00 ATOM 65 CG2 THR A 9 22.144 -14.902 15.005 1.00 0.00 ATOM 66 OG1 THR A 9 20.144 -13.671 15.518 1.00 0.00 ATOM 67 O THR A 9 22.032 -15.677 11.970 1.00 0.00 ATOM 68 C THR A 9 20.966 -15.818 12.573 1.00 0.00 ATOM 69 N TYR A 10 20.320 -16.982 12.633 1.00 0.00 ATOM 70 CA TYR A 10 20.812 -18.164 11.944 1.00 0.00 ATOM 71 CB TYR A 10 19.910 -19.365 12.234 1.00 0.00 ATOM 72 CG TYR A 10 20.340 -20.635 11.533 1.00 0.00 ATOM 73 CD1 TYR A 10 21.397 -21.393 12.021 1.00 0.00 ATOM 74 CD2 TYR A 10 19.687 -21.072 10.389 1.00 0.00 ATOM 75 CE1 TYR A 10 21.797 -22.555 11.387 1.00 0.00 ATOM 76 CE2 TYR A 10 20.071 -22.231 9.742 1.00 0.00 ATOM 77 CZ TYR A 10 21.137 -22.972 10.253 1.00 0.00 ATOM 78 OH TYR A 10 21.533 -24.130 9.621 1.00 0.00 ATOM 79 O TYR A 10 21.773 -18.193 9.742 1.00 0.00 ATOM 80 C TYR A 10 20.816 -17.870 10.446 1.00 0.00 ATOM 81 N GLU A 11 19.765 -17.217 9.968 1.00 0.00 ATOM 82 CA GLU A 11 19.676 -16.883 8.555 1.00 0.00 ATOM 83 CB GLU A 11 18.325 -16.236 8.240 1.00 0.00 ATOM 84 CG GLU A 11 17.148 -17.194 8.304 1.00 0.00 ATOM 85 CD GLU A 11 15.816 -16.495 8.109 1.00 0.00 ATOM 86 OE1 GLU A 11 15.810 -15.250 7.998 1.00 0.00 ATOM 87 OE2 GLU A 11 14.781 -17.193 8.068 1.00 0.00 ATOM 88 O GLU A 11 21.435 -16.021 7.124 1.00 0.00 ATOM 89 C GLU A 11 20.808 -15.947 8.180 1.00 0.00 ATOM 90 N GLU A 12 21.081 -14.999 9.119 1.00 0.00 ATOM 91 CA GLU A 12 22.153 -14.026 8.926 1.00 0.00 ATOM 92 CB GLU A 12 22.239 -13.051 10.102 1.00 0.00 ATOM 93 CG GLU A 12 21.070 -12.085 10.196 1.00 0.00 ATOM 94 CD GLU A 12 21.116 -11.232 11.448 1.00 0.00 ATOM 95 OE1 GLU A 12 22.026 -11.445 12.278 1.00 0.00 ATOM 96 OE2 GLU A 12 20.244 -10.351 11.600 1.00 0.00 ATOM 97 O GLU A 12 24.255 -14.473 7.840 1.00 0.00 ATOM 98 C GLU A 12 23.505 -14.730 8.786 1.00 0.00 ATOM 99 N MET A 13 23.828 -15.635 9.712 1.00 0.00 ATOM 100 CA MET A 13 25.102 -16.343 9.653 1.00 0.00 ATOM 101 CB MET A 13 25.299 -17.197 10.909 1.00 0.00 ATOM 102 CG MET A 13 25.487 -16.391 12.184 1.00 0.00 ATOM 103 SD MET A 13 26.957 -15.348 12.136 1.00 0.00 ATOM 104 CE MET A 13 26.244 -13.780 11.642 1.00 0.00 ATOM 105 O MET A 13 26.204 -17.355 7.781 1.00 0.00 ATOM 106 C MET A 13 25.177 -17.283 8.447 1.00 0.00 ATOM 107 N VAL A 14 24.081 -17.946 8.126 1.00 0.00 ATOM 108 CA VAL A 14 24.037 -18.846 6.969 1.00 0.00 ATOM 109 CB VAL A 14 22.685 -19.610 6.949 1.00 0.00 ATOM 110 CG1 VAL A 14 22.573 -20.428 5.677 1.00 0.00 ATOM 111 CG2 VAL A 14 22.576 -20.515 8.178 1.00 0.00 ATOM 112 O VAL A 14 24.940 -18.539 4.766 1.00 0.00 ATOM 113 C VAL A 14 24.212 -18.094 5.644 1.00 0.00 ATOM 114 N LYS A 15 23.536 -16.984 5.502 1.00 0.00 ATOM 115 CA LYS A 15 23.646 -16.179 4.280 1.00 0.00 ATOM 116 CB LYS A 15 22.746 -14.946 4.367 1.00 0.00 ATOM 117 CG LYS A 15 22.778 -14.067 3.127 1.00 0.00 ATOM 118 CD LYS A 15 21.808 -12.903 3.251 1.00 0.00 ATOM 119 CE LYS A 15 21.875 -11.995 2.034 1.00 0.00 ATOM 120 NZ LYS A 15 20.948 -10.836 2.154 1.00 0.00 ATOM 121 O LYS A 15 25.664 -15.849 3.000 1.00 0.00 ATOM 122 C LYS A 15 25.085 -15.708 4.086 1.00 0.00 ATOM 123 N GLU A 16 25.647 -15.133 5.123 1.00 0.00 ATOM 124 CA GLU A 16 27.019 -14.647 5.036 1.00 0.00 ATOM 125 CB GLU A 16 27.407 -13.909 6.320 1.00 0.00 ATOM 126 CG GLU A 16 26.708 -12.571 6.502 1.00 0.00 ATOM 127 CD GLU A 16 26.976 -11.613 5.358 1.00 0.00 ATOM 128 OE1 GLU A 16 28.163 -11.396 5.031 1.00 0.00 ATOM 129 OE2 GLU A 16 26.002 -11.081 4.788 1.00 0.00 ATOM 130 O GLU A 16 29.005 -15.623 4.144 1.00 0.00 ATOM 131 C GLU A 16 28.002 -15.790 4.829 1.00 0.00 ATOM 132 N VAL A 17 27.708 -16.943 5.420 1.00 0.00 ATOM 133 CA VAL A 17 28.579 -18.113 5.283 1.00 0.00 ATOM 134 CB VAL A 17 28.192 -19.196 6.340 1.00 0.00 ATOM 135 CG1 VAL A 17 28.844 -20.552 6.038 1.00 0.00 ATOM 136 CG2 VAL A 17 28.551 -18.720 7.756 1.00 0.00 ATOM 137 O VAL A 17 29.599 -18.893 3.249 1.00 0.00 ATOM 138 C VAL A 17 28.551 -18.573 3.820 1.00 0.00 ATOM 139 N GLU A 18 27.362 -18.605 3.211 1.00 0.00 ATOM 140 CA GLU A 18 27.259 -19.015 1.808 1.00 0.00 ATOM 141 CB GLU A 18 25.785 -19.059 1.403 1.00 0.00 ATOM 142 CG GLU A 18 24.997 -20.185 2.051 1.00 0.00 ATOM 143 CD GLU A 18 23.522 -20.143 1.698 1.00 0.00 ATOM 144 OE1 GLU A 18 23.106 -19.197 0.997 1.00 0.00 ATOM 145 OE2 GLU A 18 22.784 -21.056 2.122 1.00 0.00 ATOM 146 O GLU A 18 28.609 -18.395 -0.053 1.00 0.00 ATOM 147 C GLU A 18 27.999 -18.019 0.927 1.00 0.00 ATOM 148 N ARG A 19 27.964 -16.743 1.307 1.00 0.00 ATOM 149 CA ARG A 19 28.666 -15.713 0.543 1.00 0.00 ATOM 150 CB ARG A 19 28.546 -14.344 1.119 1.00 0.00 ATOM 151 CG ARG A 19 27.227 -13.683 0.745 1.00 0.00 ATOM 152 CD ARG A 19 27.122 -13.502 -0.766 1.00 0.00 ATOM 153 NE ARG A 19 28.081 -12.520 -1.264 1.00 0.00 ATOM 154 CZ ARG A 19 28.410 -12.374 -2.545 1.00 0.00 ATOM 155 NH1 ARG A 19 27.862 -13.152 -3.467 1.00 0.00 ATOM 156 NH2 ARG A 19 29.283 -11.444 -2.901 1.00 0.00 ATOM 157 O ARG A 19 30.886 -15.987 -0.440 1.00 0.00 ATOM 158 C ARG A 19 30.168 -15.984 0.578 1.00 0.00 ATOM 159 N LEU A 20 30.709 -16.219 1.801 1.00 0.00 ATOM 160 CA LEU A 20 32.128 -16.512 1.991 1.00 0.00 ATOM 161 CB LEU A 20 32.435 -16.715 3.476 1.00 0.00 ATOM 162 CG LEU A 20 33.885 -17.052 3.828 1.00 0.00 ATOM 163 CD1 LEU A 20 34.815 -15.923 3.411 1.00 0.00 ATOM 164 CD2 LEU A 20 34.038 -17.267 5.327 1.00 0.00 ATOM 165 O LEU A 20 33.575 -17.857 0.633 1.00 0.00 ATOM 166 C LEU A 20 32.522 -17.794 1.264 1.00 0.00 ATOM 167 N LYS A 21 31.657 -18.815 1.343 1.00 0.00 ATOM 168 CA LYS A 21 31.928 -20.086 0.680 1.00 0.00 ATOM 169 CB LYS A 21 30.786 -21.061 0.975 1.00 0.00 ATOM 170 CG LYS A 21 30.950 -22.424 0.322 1.00 0.00 ATOM 171 CD LYS A 21 29.822 -23.364 0.713 1.00 0.00 ATOM 172 CE LYS A 21 29.959 -24.709 0.023 1.00 0.00 ATOM 173 NZ LYS A 21 28.845 -25.633 0.379 1.00 0.00 ATOM 174 O LYS A 21 32.965 -20.430 -1.463 1.00 0.00 ATOM 175 C LYS A 21 32.031 -19.925 -0.834 1.00 0.00 ATOM 176 N LEU A 22 31.066 -19.214 -1.440 1.00 0.00 ATOM 177 CA LEU A 22 31.062 -18.997 -2.880 1.00 0.00 ATOM 178 CB LEU A 22 29.840 -18.191 -3.322 1.00 0.00 ATOM 179 CG LEU A 22 28.486 -18.893 -3.206 1.00 0.00 ATOM 180 CD1 LEU A 22 27.351 -17.926 -3.500 1.00 0.00 ATOM 181 CD2 LEU A 22 28.394 -20.048 -4.191 1.00 0.00 ATOM 182 O LEU A 22 32.916 -18.557 -4.367 1.00 0.00 ATOM 183 C LEU A 22 32.308 -18.234 -3.348 1.00 0.00 ATOM 184 N GLU A 23 32.692 -17.232 -2.578 1.00 0.00 ATOM 185 CA GLU A 23 33.890 -16.470 -2.866 1.00 0.00 ATOM 186 CB GLU A 23 34.121 -15.408 -1.788 1.00 0.00 ATOM 187 CG GLU A 23 33.131 -14.256 -1.829 1.00 0.00 ATOM 188 CD GLU A 23 33.303 -13.299 -0.666 1.00 0.00 ATOM 189 OE1 GLU A 23 34.141 -13.579 0.215 1.00 0.00 ATOM 190 OE2 GLU A 23 32.598 -12.267 -0.638 1.00 0.00 ATOM 191 O GLU A 23 35.934 -17.299 -3.808 1.00 0.00 ATOM 192 C GLU A 23 35.120 -17.358 -2.906 1.00 0.00 ATOM 193 N ASN A 24 35.249 -18.202 -1.899 1.00 0.00 ATOM 194 CA ASN A 24 36.397 -19.093 -1.806 1.00 0.00 ATOM 195 CB ASN A 24 36.411 -19.849 -0.476 1.00 0.00 ATOM 196 CG ASN A 24 36.757 -18.957 0.699 1.00 0.00 ATOM 197 ND2 ASN A 24 36.384 -19.388 1.898 1.00 0.00 ATOM 198 OD1 ASN A 24 37.354 -17.893 0.529 1.00 0.00 ATOM 199 O ASN A 24 37.335 -20.331 -3.649 1.00 0.00 ATOM 200 C ASN A 24 36.330 -20.072 -2.981 1.00 0.00 ATOM 201 N LYS A 25 35.189 -20.612 -3.260 1.00 0.00 ATOM 202 CA LYS A 25 35.016 -21.539 -4.378 1.00 0.00 ATOM 203 CB LYS A 25 33.553 -21.979 -4.458 1.00 0.00 ATOM 204 CG LYS A 25 33.275 -23.009 -5.541 1.00 0.00 ATOM 205 CD LYS A 25 31.821 -23.453 -5.520 1.00 0.00 ATOM 206 CE LYS A 25 31.530 -24.448 -6.633 1.00 0.00 ATOM 207 NZ LYS A 25 30.103 -24.873 -6.639 1.00 0.00 ATOM 208 O LYS A 25 36.148 -21.473 -6.486 1.00 0.00 ATOM 209 C LYS A 25 35.410 -20.893 -5.694 1.00 0.00 ATOM 210 N THR A 26 34.915 -19.679 -5.913 1.00 0.00 ATOM 211 CA THR A 26 35.199 -18.949 -7.140 1.00 0.00 ATOM 212 CB THR A 26 34.416 -17.624 -7.201 1.00 0.00 ATOM 213 CG2 THR A 26 34.759 -16.861 -8.471 1.00 0.00 ATOM 214 OG1 THR A 26 33.008 -17.897 -7.191 1.00 0.00 ATOM 215 O THR A 26 37.271 -18.744 -8.331 1.00 0.00 ATOM 216 C THR A 26 36.677 -18.584 -7.265 1.00 0.00 ATOM 217 N LEU A 27 37.280 -18.146 -6.168 1.00 0.00 ATOM 218 CA LEU A 27 38.689 -17.773 -6.184 1.00 0.00 ATOM 219 CB LEU A 27 39.083 -17.160 -4.832 1.00 0.00 ATOM 220 CG LEU A 27 38.266 -15.944 -4.369 1.00 0.00 ATOM 221 CD1 LEU A 27 38.889 -15.394 -3.077 1.00 0.00 ATOM 222 CD2 LEU A 27 38.205 -14.867 -5.451 1.00 0.00 ATOM 223 O LEU A 27 40.468 -18.909 -7.359 1.00 0.00 ATOM 224 C LEU A 27 39.553 -18.995 -6.531 1.00 0.00 ATOM 225 N LYS A 28 39.216 -20.131 -5.933 1.00 0.00 ATOM 226 CA LYS A 28 39.945 -21.366 -6.181 1.00 0.00 ATOM 227 CB LYS A 28 39.428 -22.492 -5.283 1.00 0.00 ATOM 228 CG LYS A 28 39.757 -22.312 -3.811 1.00 0.00 ATOM 229 CD LYS A 28 39.218 -23.465 -2.979 1.00 0.00 ATOM 230 CE LYS A 28 39.526 -23.274 -1.503 1.00 0.00 ATOM 231 NZ LYS A 28 38.973 -24.379 -0.673 1.00 0.00 ATOM 232 O LYS A 28 40.799 -22.156 -8.274 1.00 0.00 ATOM 233 C LYS A 28 39.818 -21.775 -7.643 1.00 0.00 ATOM 234 N GLN A 29 38.600 -21.686 -8.186 1.00 0.00 ATOM 235 CA GLN A 29 38.370 -22.060 -9.576 1.00 0.00 ATOM 236 CB GLN A 29 36.952 -21.851 -9.980 1.00 0.00 ATOM 237 CG GLN A 29 36.666 -22.265 -11.430 1.00 0.00 ATOM 238 CD GLN A 29 36.903 -23.732 -11.650 1.00 0.00 ATOM 239 OE1 GLN A 29 36.472 -24.558 -10.826 1.00 0.00 ATOM 240 NE2 GLN A 29 37.613 -24.077 -12.706 1.00 0.00 ATOM 241 O GLN A 29 39.772 -21.687 -11.495 1.00 0.00 ATOM 242 C GLN A 29 39.173 -21.186 -10.541 1.00 0.00 ATOM 243 N LYS A 30 39.190 -19.874 -10.296 1.00 0.00 ATOM 244 CA LYS A 30 39.927 -18.962 -11.160 1.00 0.00 ATOM 245 CB LYS A 30 39.666 -17.515 -10.737 1.00 0.00 ATOM 246 CG LYS A 30 38.264 -17.021 -11.052 1.00 0.00 ATOM 247 CD LYS A 30 38.073 -15.579 -10.606 1.00 0.00 ATOM 248 CE LYS A 30 36.663 -15.092 -10.900 1.00 0.00 ATOM 249 NZ LYS A 30 36.452 -13.692 -10.438 1.00 0.00 ATOM 250 O LYS A 30 42.154 -19.092 -12.057 1.00 0.00 ATOM 251 C LYS A 30 41.433 -19.202 -11.064 1.00 0.00 ATOM 252 N VAL A 31 41.893 -19.540 -9.852 1.00 0.00 ATOM 253 CA VAL A 31 43.315 -19.787 -9.638 1.00 0.00 ATOM 254 CB VAL A 31 43.585 -20.056 -8.151 1.00 0.00 ATOM 255 CG1 VAL A 31 45.015 -20.561 -7.897 1.00 0.00 ATOM 256 CG2 VAL A 31 43.343 -18.789 -7.340 1.00 0.00 ATOM 257 O VAL A 31 44.826 -20.896 -11.172 1.00 0.00 ATOM 258 C VAL A 31 43.807 -20.944 -10.506 1.00 0.00 ATOM 259 N LYS A 32 43.010 -22.039 -10.485 1.00 0.00 ATOM 260 CA LYS A 32 43.396 -23.213 -11.260 1.00 0.00 ATOM 261 CB LYS A 32 41.991 -24.160 -11.194 1.00 0.00 ATOM 262 CG LYS A 32 41.040 -24.007 -10.014 1.00 0.00 ATOM 263 CD LYS A 32 41.454 -24.971 -8.923 1.00 0.00 ATOM 264 CE LYS A 32 40.548 -24.929 -7.695 1.00 0.00 ATOM 265 NZ LYS A 32 41.148 -25.776 -6.594 1.00 0.00 ATOM 266 O LYS A 32 44.223 -23.281 -13.506 1.00 0.00 ATOM 267 C LYS A 32 43.329 -22.908 -12.753 1.00 0.00 ATOM 268 N SER A 33 42.267 -22.235 -13.165 1.00 0.00 ATOM 269 CA SER A 33 42.132 -21.846 -14.573 1.00 0.00 ATOM 270 CB SER A 33 40.831 -21.071 -14.792 1.00 0.00 ATOM 271 OG SER A 33 39.700 -21.899 -14.572 1.00 0.00 ATOM 272 O SER A 33 43.833 -21.140 -16.126 1.00 0.00 ATOM 273 C SER A 33 43.286 -20.961 -15.040 1.00 0.00 ATOM 274 N SER A 34 43.649 -19.986 -14.209 1.00 0.00 ATOM 275 CA SER A 34 44.763 -19.115 -14.539 1.00 0.00 ATOM 276 CB SER A 34 44.737 -17.920 -13.597 1.00 0.00 ATOM 277 OG SER A 34 44.928 -18.388 -12.291 1.00 0.00 ATOM 278 O SER A 34 46.958 -19.641 -15.390 1.00 0.00 ATOM 279 C SER A 34 46.089 -19.894 -14.550 1.00 0.00 ATOM 280 N GLY A 35 46.229 -20.868 -13.663 1.00 0.00 ATOM 281 CA GLY A 35 47.430 -21.698 -13.646 1.00 0.00 ATOM 282 O GLY A 35 48.569 -22.721 -15.514 1.00 0.00 ATOM 283 C GLY A 35 47.486 -22.464 -14.961 1.00 0.00 ATOM 284 N ALA A 36 46.254 -22.886 -15.512 1.00 0.00 ATOM 285 CA ALA A 36 46.222 -23.736 -16.678 1.00 0.00 ATOM 286 CB ALA A 36 44.852 -24.388 -16.785 1.00 0.00 ATOM 287 O ALA A 36 47.008 -23.625 -18.933 1.00 0.00 ATOM 288 C ALA A 36 46.431 -23.035 -18.020 1.00 0.00 ATOM 289 N VAL A 37 45.960 -21.758 -18.173 1.00 0.00 ATOM 290 CA VAL A 37 46.082 -21.020 -19.423 1.00 0.00 ATOM 291 CB VAL A 37 44.703 -20.723 -20.042 1.00 0.00 ATOM 292 CG1 VAL A 37 43.982 -22.019 -20.378 1.00 0.00 ATOM 293 CG2 VAL A 37 43.840 -19.933 -19.068 1.00 0.00 ATOM 294 O VAL A 37 47.221 -19.121 -20.290 1.00 0.00 ATOM 295 C VAL A 37 46.775 -19.675 -19.290 1.00 0.00 ATOM 296 N SER A 38 46.962 -19.147 -18.153 1.00 0.00 ATOM 297 CA SER A 38 47.599 -17.844 -17.978 1.00 0.00 ATOM 298 CB SER A 38 46.567 -16.794 -17.566 1.00 0.00 ATOM 299 OG SER A 38 45.912 -17.166 -16.366 1.00 0.00 ATOM 300 O SER A 38 48.847 -16.781 -16.244 1.00 0.00 ATOM 301 C SER A 38 48.681 -17.799 -16.913 1.00 0.00 ATOM 302 N SER A 39 49.425 -18.890 -16.773 1.00 0.00 ATOM 303 CA SER A 39 50.479 -18.965 -15.776 1.00 0.00 ATOM 304 CB SER A 39 51.060 -20.380 -15.711 1.00 0.00 ATOM 305 OG SER A 39 51.708 -20.719 -16.925 1.00 0.00 ATOM 306 O SER A 39 52.165 -17.417 -15.111 1.00 0.00 ATOM 307 C SER A 39 51.653 -18.032 -16.038 1.00 0.00 ATOM 308 N ASP A 40 52.092 -17.934 -17.288 1.00 0.00 ATOM 309 CA ASP A 40 53.234 -17.085 -17.625 1.00 0.00 ATOM 310 CB ASP A 40 54.403 -17.934 -18.131 1.00 0.00 ATOM 311 CG ASP A 40 55.635 -17.106 -18.439 1.00 0.00 ATOM 312 OD1 ASP A 40 55.547 -15.862 -18.367 1.00 0.00 ATOM 313 OD2 ASP A 40 56.687 -17.701 -18.753 1.00 0.00 ATOM 314 O ASP A 40 52.737 -16.458 -19.880 1.00 0.00 ATOM 315 C ASP A 40 52.903 -16.063 -18.718 1.00 0.00 ATOM 316 N ASP A 41 52.748 -14.738 -18.320 1.00 0.00 ATOM 317 CA ASP A 41 52.396 -13.690 -19.294 1.00 0.00 ATOM 318 CB ASP A 41 53.052 -12.295 -18.790 1.00 0.00 ATOM 319 CG ASP A 41 52.561 -11.035 -19.482 1.00 0.00 ATOM 320 OD1 ASP A 41 51.389 -10.967 -19.902 1.00 0.00 ATOM 321 OD2 ASP A 41 53.361 -10.095 -19.603 1.00 0.00 ATOM 322 O ASP A 41 53.045 -13.223 -21.557 1.00 0.00 ATOM 323 C ASP A 41 53.403 -13.593 -20.438 1.00 0.00 ATOM 324 N SER A 42 54.685 -13.903 -20.132 1.00 0.00 ATOM 325 CA SER A 42 55.715 -13.812 -21.150 1.00 0.00 ATOM 326 CB SER A 42 57.045 -14.329 -20.600 1.00 0.00 ATOM 327 OG SER A 42 57.507 -13.516 -19.534 1.00 0.00 ATOM 328 O SER A 42 55.687 -14.344 -23.490 1.00 0.00 ATOM 329 C SER A 42 55.320 -14.692 -22.353 1.00 0.00 ATOM 330 N ILE A 43 54.569 -15.847 -22.078 1.00 0.00 ATOM 331 CA ILE A 43 54.122 -16.721 -23.187 1.00 0.00 ATOM 332 CB ILE A 43 53.805 -18.157 -22.731 1.00 0.00 ATOM 333 CG1 ILE A 43 55.086 -18.873 -22.294 1.00 0.00 ATOM 334 CG2 ILE A 43 53.175 -18.951 -23.866 1.00 0.00 ATOM 335 CD1 ILE A 43 54.840 -20.186 -21.586 1.00 0.00 ATOM 336 O ILE A 43 52.781 -16.136 -25.077 1.00 0.00 ATOM 337 C ILE A 43 52.875 -16.138 -23.848 1.00 0.00 ATOM 338 N LEU A 44 51.942 -15.689 -23.068 1.00 0.00 ATOM 339 CA LEU A 44 50.694 -15.118 -23.562 1.00 0.00 ATOM 340 CB LEU A 44 49.719 -16.237 -23.345 1.00 0.00 ATOM 341 CG LEU A 44 49.589 -16.983 -24.666 1.00 0.00 ATOM 342 CD1 LEU A 44 48.542 -18.118 -24.468 1.00 0.00 ATOM 343 CD2 LEU A 44 49.037 -16.042 -25.790 1.00 0.00 ATOM 344 O LEU A 44 49.836 -14.185 -21.524 1.00 0.00 ATOM 345 C LEU A 44 50.104 -13.993 -22.710 1.00 0.00 ATOM 346 N THR A 45 49.905 -12.824 -23.312 1.00 0.00 ATOM 347 CA THR A 45 49.313 -11.693 -22.611 1.00 0.00 ATOM 348 CB THR A 45 49.279 -10.433 -23.496 1.00 0.00 ATOM 349 CG2 THR A 45 48.613 -9.283 -22.761 1.00 0.00 ATOM 350 OG1 THR A 45 50.618 -10.052 -23.838 1.00 0.00 ATOM 351 O THR A 45 47.487 -11.653 -21.044 1.00 0.00 ATOM 352 C THR A 45 47.881 -11.968 -22.179 1.00 0.00 ATOM 353 N ALA A 46 47.095 -12.581 -23.060 1.00 0.00 ATOM 354 CA ALA A 46 45.713 -12.897 -22.681 1.00 0.00 ATOM 355 CB ALA A 46 44.978 -13.624 -23.746 1.00 0.00 ATOM 356 O ALA A 46 44.905 -13.682 -20.558 1.00 0.00 ATOM 357 C ALA A 46 45.718 -13.840 -21.477 1.00 0.00 ATOM 358 N ALA A 47 46.625 -14.816 -21.481 1.00 0.00 ATOM 359 CA ALA A 47 46.702 -15.749 -20.355 1.00 0.00 ATOM 360 CB ALA A 47 47.771 -16.750 -20.644 1.00 0.00 ATOM 361 O ALA A 47 46.431 -15.241 -18.029 1.00 0.00 ATOM 362 C ALA A 47 47.082 -15.045 -19.060 1.00 0.00 ATOM 363 N LYS A 48 48.097 -14.184 -19.104 1.00 0.00 ATOM 364 CA LYS A 48 48.529 -13.558 -17.859 1.00 0.00 ATOM 365 CB LYS A 48 49.839 -12.795 -18.072 1.00 0.00 ATOM 366 CG LYS A 48 50.416 -12.186 -16.804 1.00 0.00 ATOM 367 CD LYS A 48 50.903 -13.263 -15.848 1.00 0.00 ATOM 368 CE LYS A 48 51.588 -12.654 -14.634 1.00 0.00 ATOM 369 NZ LYS A 48 52.112 -13.698 -13.710 1.00 0.00 ATOM 370 O LYS A 48 47.493 -12.405 -16.052 1.00 0.00 ATOM 371 C LYS A 48 47.547 -12.569 -17.276 1.00 0.00 ATOM 372 N ARG A 49 46.783 -11.887 -18.122 1.00 0.00 ATOM 373 CA ARG A 49 45.806 -10.939 -17.605 1.00 0.00 ATOM 374 CB ARG A 49 44.949 -10.313 -18.650 1.00 0.00 ATOM 375 CG ARG A 49 45.700 -9.264 -19.481 1.00 0.00 ATOM 376 CD ARG A 49 44.724 -8.308 -20.159 1.00 0.00 ATOM 377 NE ARG A 49 43.825 -8.969 -21.100 1.00 0.00 ATOM 378 CZ ARG A 49 44.101 -9.171 -22.386 1.00 0.00 ATOM 379 NH1 ARG A 49 45.263 -8.764 -22.894 1.00 0.00 ATOM 380 NH2 ARG A 49 43.208 -9.764 -23.163 1.00 0.00 ATOM 381 O ARG A 49 44.410 -11.209 -15.677 1.00 0.00 ATOM 382 C ARG A 49 44.806 -11.688 -16.736 1.00 0.00 ATOM 383 N GLU A 50 44.398 -12.866 -17.195 1.00 0.00 ATOM 384 CA GLU A 50 43.464 -13.696 -16.449 1.00 0.00 ATOM 385 CB GLU A 50 43.041 -14.924 -17.178 1.00 0.00 ATOM 386 CG GLU A 50 41.805 -15.572 -16.562 1.00 0.00 ATOM 387 CD GLU A 50 41.207 -16.668 -17.422 1.00 0.00 ATOM 388 OE1 GLU A 50 41.435 -16.663 -18.655 1.00 0.00 ATOM 389 OE2 GLU A 50 40.485 -17.523 -16.868 1.00 0.00 ATOM 390 O GLU A 50 43.383 -14.007 -14.063 1.00 0.00 ATOM 391 C GLU A 50 44.060 -14.099 -15.091 1.00 0.00 ATOM 392 N SER A 51 45.296 -14.605 -15.103 1.00 0.00 ATOM 393 CA SER A 51 45.973 -15.004 -13.868 1.00 0.00 ATOM 394 CB SER A 51 47.367 -15.552 -14.176 1.00 0.00 ATOM 395 OG SER A 51 48.204 -14.545 -14.716 1.00 0.00 ATOM 396 O SER A 51 46.011 -13.908 -11.728 1.00 0.00 ATOM 397 C SER A 51 46.125 -13.796 -12.956 1.00 0.00 ATOM 398 N ILE A 52 46.371 -12.655 -13.549 1.00 0.00 ATOM 399 CA ILE A 52 46.482 -11.426 -12.754 1.00 0.00 ATOM 400 CB ILE A 52 46.802 -10.208 -13.641 1.00 0.00 ATOM 401 CG1 ILE A 52 48.216 -10.323 -14.215 1.00 0.00 ATOM 402 CG2 ILE A 52 46.713 -8.923 -12.833 1.00 0.00 ATOM 403 CD1 ILE A 52 48.515 -9.317 -15.305 1.00 0.00 ATOM 404 O ILE A 52 45.140 -10.849 -10.853 1.00 0.00 ATOM 405 C ILE A 52 45.165 -11.160 -12.042 1.00 0.00 ATOM 406 N ILE A 53 44.057 -11.289 -12.755 1.00 0.00 ATOM 407 CA ILE A 53 42.750 -11.051 -12.155 1.00 0.00 ATOM 408 CB ILE A 53 41.626 -11.045 -13.217 1.00 0.00 ATOM 409 CG1 ILE A 53 41.899 -9.939 -14.247 1.00 0.00 ATOM 410 CG2 ILE A 53 40.270 -10.822 -12.576 1.00 0.00 ATOM 411 CD1 ILE A 53 42.171 -8.569 -13.632 1.00 0.00 ATOM 412 O ILE A 53 41.908 -11.755 -9.986 1.00 0.00 ATOM 413 C ILE A 53 42.474 -12.070 -11.048 1.00 0.00 ATOM 414 N VAL A 54 42.883 -13.270 -11.323 1.00 0.00 ATOM 415 CA VAL A 54 42.724 -14.335 -10.348 1.00 0.00 ATOM 416 CB VAL A 54 43.202 -15.688 -10.909 1.00 0.00 ATOM 417 CG1 VAL A 54 43.148 -16.761 -9.833 1.00 0.00 ATOM 418 CG2 VAL A 54 42.322 -16.124 -12.069 1.00 0.00 ATOM 419 O VAL A 54 43.003 -14.259 -7.965 1.00 0.00 ATOM 420 C VAL A 54 43.498 -14.036 -9.070 1.00 0.00 ATOM 421 N SER A 55 44.718 -13.532 -9.226 1.00 0.00 ATOM 422 CA SER A 55 45.539 -13.202 -8.071 1.00 0.00 ATOM 423 CB SER A 55 46.922 -12.724 -8.517 1.00 0.00 ATOM 424 OG SER A 55 47.646 -13.769 -9.143 1.00 0.00 ATOM 425 O SER A 55 44.841 -12.146 -6.030 1.00 0.00 ATOM 426 C SER A 55 44.863 -12.099 -7.262 1.00 0.00 ATOM 427 N SER A 56 44.340 -11.094 -7.956 1.00 0.00 ATOM 428 CA SER A 56 43.664 -9.986 -7.296 1.00 0.00 ATOM 429 CB SER A 56 43.209 -8.947 -8.325 1.00 0.00 ATOM 430 OG SER A 56 44.321 -8.335 -8.955 1.00 0.00 ATOM 431 O SER A 56 42.170 -10.033 -5.419 1.00 0.00 ATOM 432 C SER A 56 42.439 -10.480 -6.536 1.00 0.00 ATOM 433 N SER A 57 41.665 -11.355 -7.169 1.00 0.00 ATOM 434 CA SER A 57 40.472 -11.906 -6.542 1.00 0.00 ATOM 435 CB SER A 57 39.791 -12.912 -7.473 1.00 0.00 ATOM 436 OG SER A 57 39.287 -12.271 -8.631 1.00 0.00 ATOM 437 O SER A 57 40.137 -12.508 -4.258 1.00 0.00 ATOM 438 C SER A 57 40.842 -12.607 -5.258 1.00 0.00 ATOM 439 N ARG A 58 41.940 -13.353 -5.288 1.00 0.00 ATOM 440 CA ARG A 58 42.388 -14.081 -4.090 1.00 0.00 ATOM 441 CB ARG A 58 43.681 -14.847 -4.376 1.00 0.00 ATOM 442 CG ARG A 58 44.203 -15.646 -3.191 1.00 0.00 ATOM 443 CD ARG A 58 45.420 -16.470 -3.576 1.00 0.00 ATOM 444 NE ARG A 58 45.961 -17.213 -2.440 1.00 0.00 ATOM 445 CZ ARG A 58 47.052 -17.970 -2.493 1.00 0.00 ATOM 446 NH1 ARG A 58 47.470 -18.608 -1.409 1.00 0.00 ATOM 447 NH2 ARG A 58 47.722 -18.089 -3.631 1.00 0.00 ATOM 448 O ARG A 58 42.157 -13.268 -1.844 1.00 0.00 ATOM 449 C ARG A 58 42.636 -13.079 -2.963 1.00 0.00 ATOM 450 N ALA A 59 43.324 -11.986 -3.273 1.00 0.00 ATOM 451 CA ALA A 59 43.611 -10.966 -2.257 1.00 0.00 ATOM 452 CB ALA A 59 44.571 -9.925 -2.811 1.00 0.00 ATOM 453 O ALA A 59 42.108 -10.085 -0.607 1.00 0.00 ATOM 454 C ALA A 59 42.329 -10.282 -1.803 1.00 0.00 ATOM 455 N LEU A 60 41.452 -9.962 -2.749 1.00 0.00 ATOM 456 CA LEU A 60 40.170 -9.382 -2.402 1.00 0.00 ATOM 457 CB LEU A 60 39.415 -8.961 -3.666 1.00 0.00 ATOM 458 CG LEU A 60 40.012 -7.793 -4.455 1.00 0.00 ATOM 459 CD1 LEU A 60 39.271 -7.599 -5.768 1.00 0.00 ATOM 460 CD2 LEU A 60 39.915 -6.502 -3.658 1.00 0.00 ATOM 461 O LEU A 60 38.753 -9.988 -0.570 1.00 0.00 ATOM 462 C LEU A 60 39.335 -10.362 -1.584 1.00 0.00 ATOM 463 N GLY A 61 39.286 -11.635 -2.009 1.00 0.00 ATOM 464 CA GLY A 61 38.517 -12.634 -1.281 1.00 0.00 ATOM 465 O GLY A 61 38.182 -12.940 1.078 1.00 0.00 ATOM 466 C GLY A 61 38.988 -12.799 0.159 1.00 0.00 ATOM 467 N ALA A 62 40.308 -12.832 0.338 1.00 0.00 ATOM 468 CA ALA A 62 40.885 -13.008 1.669 1.00 0.00 ATOM 469 CB ALA A 62 42.403 -13.053 1.588 1.00 0.00 ATOM 470 O ALA A 62 40.105 -12.130 3.763 1.00 0.00 ATOM 471 C ALA A 62 40.466 -11.883 2.613 1.00 0.00 ATOM 472 N VAL A 63 40.544 -10.643 2.137 1.00 0.00 ATOM 473 CA VAL A 63 40.158 -9.495 2.953 1.00 0.00 ATOM 474 CB VAL A 63 40.429 -8.154 2.247 1.00 0.00 ATOM 475 CG1 VAL A 63 39.864 -7.000 3.059 1.00 0.00 ATOM 476 CG2 VAL A 63 41.924 -7.936 2.074 1.00 0.00 ATOM 477 O VAL A 63 38.293 -9.369 4.460 1.00 0.00 ATOM 478 C VAL A 63 38.679 -9.578 3.312 1.00 0.00 ATOM 479 N ALA A 64 37.845 -9.884 2.323 1.00 0.00 ATOM 480 CA ALA A 64 36.406 -9.998 2.534 1.00 0.00 ATOM 481 CB ALA A 64 35.704 -10.281 1.210 1.00 0.00 ATOM 482 O ALA A 64 35.261 -10.961 4.427 1.00 0.00 ATOM 483 C ALA A 64 36.107 -11.108 3.547 1.00 0.00 ATOM 484 N MET A 65 36.838 -12.205 3.423 1.00 0.00 ATOM 485 CA MET A 65 36.675 -13.354 4.297 1.00 0.00 ATOM 486 CB MET A 65 37.614 -14.486 3.871 1.00 0.00 ATOM 487 CG MET A 65 37.525 -15.727 4.746 1.00 0.00 ATOM 488 SD MET A 65 38.695 -17.009 4.254 1.00 0.00 ATOM 489 CE MET A 65 40.240 -16.285 4.804 1.00 0.00 ATOM 490 O MET A 65 36.256 -13.286 6.663 1.00 0.00 ATOM 491 C MET A 65 37.017 -13.001 5.740 1.00 0.00 ATOM 492 N ARG A 66 38.185 -12.370 5.949 1.00 0.00 ATOM 493 CA ARG A 66 38.629 -11.990 7.288 1.00 0.00 ATOM 494 CB ARG A 66 39.983 -11.282 7.204 1.00 0.00 ATOM 495 CG ARG A 66 41.142 -12.198 6.851 1.00 0.00 ATOM 496 CD ARG A 66 42.445 -11.423 6.740 1.00 0.00 ATOM 497 NE ARG A 66 43.561 -12.283 6.352 1.00 0.00 ATOM 498 CZ ARG A 66 44.797 -11.848 6.132 1.00 0.00 ATOM 499 NH1 ARG A 66 45.749 -12.702 5.782 1.00 0.00 ATOM 500 NH2 ARG A 66 45.078 -10.559 6.260 1.00 0.00 ATOM 501 O ARG A 66 37.221 -11.284 9.083 1.00 0.00 ATOM 502 C ARG A 66 37.638 -11.042 7.958 1.00 0.00 ATOM 503 N LYS A 67 37.222 -10.012 7.237 1.00 0.00 ATOM 504 CA LYS A 67 36.279 -9.069 7.781 1.00 0.00 ATOM 505 CB LYS A 67 36.034 -7.927 6.793 1.00 0.00 ATOM 506 CG LYS A 67 37.225 -7.002 6.606 1.00 0.00 ATOM 507 CD LYS A 67 36.914 -5.900 5.606 1.00 0.00 ATOM 508 CE LYS A 67 38.120 -5.003 5.380 1.00 0.00 ATOM 509 NZ LYS A 67 37.838 -3.927 4.390 1.00 0.00 ATOM 510 O LYS A 67 34.283 -9.366 9.101 1.00 0.00 ATOM 511 C LYS A 67 34.902 -9.688 8.084 1.00 0.00 ATOM 512 N ILE A 68 34.403 -10.503 7.158 1.00 0.00 ATOM 513 CA ILE A 68 33.092 -11.130 7.283 1.00 0.00 ATOM 514 CB ILE A 68 32.714 -11.924 6.028 1.00 0.00 ATOM 515 CG1 ILE A 68 32.384 -10.960 4.881 1.00 0.00 ATOM 516 CG2 ILE A 68 31.527 -12.861 6.314 1.00 0.00 ATOM 517 CD1 ILE A 68 32.201 -11.624 3.532 1.00 0.00 ATOM 518 O ILE A 68 32.165 -11.962 9.336 1.00 0.00 ATOM 519 C ILE A 68 33.079 -12.026 8.510 1.00 0.00 ATOM 520 N GLU A 69 34.099 -12.864 8.624 1.00 0.00 ATOM 521 CA GLU A 69 34.178 -13.774 9.751 1.00 0.00 ATOM 522 CB GLU A 69 35.216 -14.900 9.348 1.00 0.00 ATOM 523 CG GLU A 69 35.305 -16.046 10.355 1.00 0.00 ATOM 524 CD GLU A 69 36.108 -17.229 9.843 1.00 0.00 ATOM 525 OE1 GLU A 69 37.029 -17.009 9.028 1.00 0.00 ATOM 526 OE2 GLU A 69 35.826 -18.372 10.267 1.00 0.00 ATOM 527 O GLU A 69 33.908 -13.653 12.135 1.00 0.00 ATOM 528 C GLU A 69 34.309 -13.094 11.113 1.00 0.00 ATOM 529 N ALA A 70 34.872 -11.858 11.137 1.00 0.00 ATOM 530 CA ALA A 70 35.038 -11.113 12.382 1.00 0.00 ATOM 531 CB ALA A 70 36.196 -10.135 12.256 1.00 0.00 ATOM 532 O ALA A 70 33.270 -10.377 13.826 1.00 0.00 ATOM 533 C ALA A 70 33.781 -10.320 12.713 1.00 0.00 ATOM 534 N LYS A 71 33.287 -9.579 11.730 1.00 0.00 ATOM 535 CA LYS A 71 32.090 -8.770 11.901 1.00 0.00 ATOM 536 CB LYS A 71 31.803 -7.962 10.634 1.00 0.00 ATOM 537 CG LYS A 71 32.792 -6.837 10.378 1.00 0.00 ATOM 538 CD LYS A 71 32.451 -6.078 9.106 1.00 0.00 ATOM 539 CE LYS A 71 33.454 -4.970 8.837 1.00 0.00 ATOM 540 NZ LYS A 71 33.154 -4.241 7.575 1.00 0.00 ATOM 541 O LYS A 71 30.102 -9.363 13.077 1.00 0.00 ATOM 542 C LYS A 71 30.901 -9.663 12.181 1.00 0.00 ATOM 543 N VAL A 72 30.767 -10.742 11.423 1.00 0.00 ATOM 544 CA VAL A 72 29.693 -11.673 11.650 1.00 0.00 ATOM 545 CB VAL A 72 29.673 -12.736 10.485 1.00 0.00 ATOM 546 CG1 VAL A 72 28.696 -13.838 10.811 1.00 0.00 ATOM 547 CG2 VAL A 72 29.309 -12.054 9.169 1.00 0.00 ATOM 548 O VAL A 72 28.781 -12.396 13.757 1.00 0.00 ATOM 549 C VAL A 72 29.781 -12.307 13.035 1.00 0.00 ATOM 550 N ARG A 73 30.997 -12.753 13.363 1.00 0.00 ATOM 551 CA ARG A 73 31.236 -13.369 14.690 1.00 0.00 ATOM 552 CB ARG A 73 32.670 -13.642 14.946 1.00 0.00 ATOM 553 CG ARG A 73 32.995 -14.222 16.357 1.00 0.00 ATOM 554 CD ARG A 73 34.471 -14.649 16.375 1.00 0.00 ATOM 555 NE ARG A 73 35.322 -13.455 16.459 1.00 0.00 ATOM 556 CZ ARG A 73 36.185 -13.042 15.536 1.00 0.00 ATOM 557 NH1 ARG A 73 36.888 -11.944 15.809 1.00 0.00 ATOM 558 NH2 ARG A 73 36.387 -13.686 14.380 1.00 0.00 ATOM 559 O ARG A 73 30.137 -12.805 16.752 1.00 0.00 ATOM 560 C ARG A 73 30.833 -12.418 15.813 1.00 0.00 ATOM 561 N SER A 74 31.268 -11.141 15.723 1.00 0.00 ATOM 562 CA SER A 74 30.960 -10.129 16.727 1.00 0.00 ATOM 563 CB SER A 74 31.693 -8.817 16.442 1.00 0.00 ATOM 564 OG SER A 74 33.096 -8.985 16.538 1.00 0.00 ATOM 565 O SER A 74 28.891 -9.762 17.901 1.00 0.00 ATOM 566 C SER A 74 29.463 -9.834 16.808 1.00 0.00 ATOM 567 N ARG A 75 28.816 -9.651 15.635 1.00 0.00 ATOM 568 CA ARG A 75 27.387 -9.351 15.603 1.00 0.00 ATOM 569 CB ARG A 75 26.914 -9.167 14.159 1.00 0.00 ATOM 570 CG ARG A 75 27.408 -7.886 13.505 1.00 0.00 ATOM 571 CD ARG A 75 26.962 -7.803 12.055 1.00 0.00 ATOM 572 NE ARG A 75 27.453 -6.591 11.400 1.00 0.00 ATOM 573 CZ ARG A 75 27.269 -6.308 10.114 1.00 0.00 ATOM 574 NH1 ARG A 75 27.748 -5.182 9.607 1.00 0.00 ATOM 575 NH2 ARG A 75 26.604 -7.155 9.339 1.00 0.00 ATOM 576 O ARG A 75 25.708 -10.289 17.075 1.00 0.00 ATOM 577 C ARG A 75 26.608 -10.508 16.262 1.00 0.00 ATOM 578 N ALA A 76 26.977 -11.722 15.888 1.00 0.00 ATOM 579 CA ALA A 76 26.314 -12.909 16.417 1.00 0.00 ATOM 580 CB ALA A 76 26.836 -14.163 15.733 1.00 0.00 ATOM 581 O ALA A 76 25.600 -13.260 18.686 1.00 0.00 ATOM 582 C ALA A 76 26.551 -13.044 17.907 1.00 0.00 ATOM 583 N ALA A 77 27.778 -12.917 18.346 1.00 0.00 ATOM 584 CA ALA A 77 28.111 -12.979 19.766 1.00 0.00 ATOM 585 CB ALA A 77 29.529 -12.709 19.987 1.00 0.00 ATOM 586 O ALA A 77 26.907 -12.154 21.653 1.00 0.00 ATOM 587 C ALA A 77 27.394 -11.889 20.573 1.00 0.00 ATOM 588 N LYS A 78 27.399 -10.677 20.016 1.00 0.00 ATOM 589 CA LYS A 78 26.756 -9.571 20.711 1.00 0.00 ATOM 590 CB LYS A 78 26.966 -8.263 19.945 1.00 0.00 ATOM 591 CG LYS A 78 28.391 -7.738 19.991 1.00 0.00 ATOM 592 CD LYS A 78 28.526 -6.438 19.215 1.00 0.00 ATOM 593 CE LYS A 78 29.956 -5.925 19.239 1.00 0.00 ATOM 594 NZ LYS A 78 30.111 -4.671 18.454 1.00 0.00 ATOM 595 O LYS A 78 24.665 -9.455 21.884 1.00 0.00 ATOM 596 C LYS A 78 25.261 -9.779 20.849 1.00 0.00 ATOM 597 N ALA A 79 24.596 -10.290 19.837 1.00 0.00 ATOM 598 CA ALA A 79 23.143 -10.498 19.904 1.00 0.00 ATOM 599 CB ALA A 79 22.630 -10.903 18.509 1.00 0.00 ATOM 600 O ALA A 79 21.816 -11.339 21.725 1.00 0.00 ATOM 601 C ALA A 79 22.822 -11.486 21.021 1.00 0.00 ATOM 602 N VAL A 80 23.631 -12.535 21.181 1.00 0.00 ATOM 603 CA VAL A 80 23.364 -13.546 22.198 1.00 0.00 ATOM 604 CB VAL A 80 23.185 -14.943 21.573 1.00 0.00 ATOM 605 CG1 VAL A 80 21.992 -14.954 20.629 1.00 0.00 ATOM 606 CG2 VAL A 80 24.424 -15.336 20.785 1.00 0.00 ATOM 607 O VAL A 80 25.628 -13.161 22.919 1.00 0.00 ATOM 608 C VAL A 80 24.518 -13.629 23.192 1.00 0.00 ATOM 609 N THR A 81 24.235 -14.279 24.318 1.00 0.00 ATOM 610 CA THR A 81 25.254 -14.439 25.381 1.00 0.00 ATOM 611 CB THR A 81 24.598 -14.868 26.689 1.00 0.00 ATOM 612 CG2 THR A 81 23.681 -13.766 27.190 1.00 0.00 ATOM 613 OG1 THR A 81 23.825 -16.069 26.484 1.00 0.00 ATOM 614 O THR A 81 26.138 -16.116 23.904 1.00 0.00 ATOM 615 C THR A 81 26.223 -15.557 25.002 1.00 0.00 ATOM 616 N GLU A 82 27.076 -15.921 25.940 1.00 0.00 ATOM 617 CA GLU A 82 28.003 -17.038 25.740 1.00 0.00 ATOM 618 CB GLU A 82 28.872 -17.270 26.979 1.00 0.00 ATOM 619 CG GLU A 82 29.863 -18.411 26.836 1.00 0.00 ATOM 620 CD GLU A 82 30.732 -18.585 28.066 1.00 0.00 ATOM 621 OE1 GLU A 82 30.583 -17.789 29.016 1.00 0.00 ATOM 622 OE2 GLU A 82 31.564 -19.517 28.079 1.00 0.00 ATOM 623 O GLU A 82 27.686 -19.050 24.578 1.00 0.00 ATOM 624 C GLU A 82 27.276 -18.327 25.478 1.00 0.00 ATOM 625 N GLN A 83 26.211 -18.658 26.168 1.00 0.00 ATOM 626 CA GLN A 83 25.519 -19.865 25.834 1.00 0.00 ATOM 627 CB GLN A 83 24.113 -19.759 26.797 1.00 0.00 ATOM 628 CG GLN A 83 24.200 -19.086 28.152 1.00 0.00 ATOM 629 CD GLN A 83 24.930 -19.938 29.170 1.00 0.00 ATOM 630 OE1 GLN A 83 24.516 -21.059 29.476 1.00 0.00 ATOM 631 NE2 GLN A 83 26.025 -19.409 29.698 1.00 0.00 ATOM 632 O GLN A 83 24.911 -20.611 23.725 1.00 0.00 ATOM 633 C GLN A 83 24.826 -19.685 24.526 1.00 0.00 ATOM 634 N GLU A 84 24.226 -18.540 24.220 1.00 0.00 ATOM 635 CA GLU A 84 23.543 -18.411 22.936 1.00 0.00 ATOM 636 CB GLU A 84 22.686 -17.099 22.938 1.00 0.00 ATOM 637 CG GLU A 84 21.442 -17.200 23.819 1.00 0.00 ATOM 638 CD GLU A 84 20.744 -15.877 24.056 1.00 0.00 ATOM 639 OE1 GLU A 84 19.583 -15.902 24.520 1.00 0.00 ATOM 640 OE2 GLU A 84 21.343 -14.815 23.796 1.00 0.00 ATOM 641 O GLU A 84 24.183 -19.302 20.873 1.00 0.00 ATOM 642 C GLU A 84 24.511 -18.559 21.793 1.00 0.00 ATOM 643 N LEU A 85 25.738 -18.006 21.937 1.00 0.00 ATOM 644 CA LEU A 85 26.824 -18.107 20.963 1.00 0.00 ATOM 645 CB LEU A 85 27.949 -17.133 21.323 1.00 0.00 ATOM 646 CG LEU A 85 29.109 -17.045 20.329 1.00 0.00 ATOM 647 CD1 LEU A 85 28.616 -16.590 18.964 1.00 0.00 ATOM 648 CD2 LEU A 85 30.154 -16.050 20.812 1.00 0.00 ATOM 649 O LEU A 85 27.718 -19.904 19.741 1.00 0.00 ATOM 650 C LEU A 85 27.424 -19.498 20.879 1.00 0.00 ATOM 651 N THR A 86 27.669 -20.253 21.964 1.00 0.00 ATOM 652 CA THR A 86 28.176 -21.592 21.775 1.00 0.00 ATOM 653 CB THR A 86 28.372 -22.316 23.121 1.00 0.00 ATOM 654 CG2 THR A 86 28.867 -23.735 22.894 1.00 0.00 ATOM 655 OG1 THR A 86 29.336 -21.608 23.909 1.00 0.00 ATOM 656 O THR A 86 27.559 -23.059 19.949 1.00 0.00 ATOM 657 C THR A 86 27.203 -22.418 20.944 1.00 0.00 ATOM 658 N SER A 87 25.963 -22.290 21.294 1.00 0.00 ATOM 659 CA SER A 87 24.937 -23.053 20.562 1.00 0.00 ATOM 660 CB SER A 87 23.580 -22.831 21.230 1.00 0.00 ATOM 661 OG SER A 87 23.563 -23.364 22.543 1.00 0.00 ATOM 662 O SER A 87 24.599 -23.346 18.205 1.00 0.00 ATOM 663 C SER A 87 24.779 -22.555 19.121 1.00 0.00 ATOM 664 N LEU A 88 24.854 -21.270 18.929 1.00 0.00 ATOM 665 CA LEU A 88 24.752 -20.701 17.598 1.00 0.00 ATOM 666 CB LEU A 88 24.886 -19.189 17.638 1.00 0.00 ATOM 667 CG LEU A 88 24.557 -18.413 16.359 1.00 0.00 ATOM 668 CD1 LEU A 88 23.166 -18.782 15.869 1.00 0.00 ATOM 669 CD2 LEU A 88 24.648 -16.919 16.640 1.00 0.00 ATOM 670 O LEU A 88 25.682 -21.570 15.567 1.00 0.00 ATOM 671 C LEU A 88 25.899 -21.144 16.704 1.00 0.00 ATOM 672 N LEU A 89 27.120 -21.071 17.225 1.00 0.00 ATOM 673 CA LEU A 89 28.274 -21.476 16.437 1.00 0.00 ATOM 674 CB LEU A 89 29.545 -21.404 17.222 1.00 0.00 ATOM 675 CG LEU A 89 30.834 -21.453 16.401 1.00 0.00 ATOM 676 CD1 LEU A 89 30.908 -20.221 15.506 1.00 0.00 ATOM 677 CD2 LEU A 89 32.037 -21.506 17.337 1.00 0.00 ATOM 678 O LEU A 89 28.422 -23.347 14.941 1.00 0.00 ATOM 679 C LEU A 89 28.163 -22.961 16.081 1.00 0.00 ATOM 680 N GLN A 90 27.773 -23.784 17.040 1.00 0.00 ATOM 681 CA GLN A 90 27.641 -25.221 16.784 1.00 0.00 ATOM 682 CB GLN A 90 27.215 -25.967 18.052 1.00 0.00 ATOM 683 CG GLN A 90 28.227 -25.883 19.185 1.00 0.00 ATOM 684 CD GLN A 90 29.252 -26.990 19.145 1.00 0.00 ATOM 685 OE1 GLN A 90 29.739 -27.367 18.081 1.00 0.00 ATOM 686 NE2 GLN A 90 29.595 -27.518 20.316 1.00 0.00 ATOM 687 O GLN A 90 26.774 -26.125 14.740 1.00 0.00 ATOM 688 C GLN A 90 26.542 -25.473 15.758 1.00 0.00 ATOM 689 N SER A 91 25.338 -24.933 15.978 1.00 0.00 ATOM 690 CA SER A 91 24.215 -25.110 15.064 1.00 0.00 ATOM 691 CB SER A 91 22.982 -24.474 15.710 1.00 0.00 ATOM 692 OG SER A 91 22.610 -25.166 16.890 1.00 0.00 ATOM 693 O SER A 91 23.973 -24.928 12.690 1.00 0.00 ATOM 694 C SER A 91 24.431 -24.447 13.719 1.00 0.00 ATOM 695 N LEU A 92 25.116 -23.313 13.731 1.00 0.00 ATOM 696 CA LEU A 92 25.376 -22.571 12.497 1.00 0.00 ATOM 697 CB LEU A 92 26.005 -21.204 12.798 1.00 0.00 ATOM 698 CG LEU A 92 25.059 -20.176 13.380 1.00 0.00 ATOM 699 CD1 LEU A 92 25.859 -19.044 14.005 1.00 0.00 ATOM 700 CD2 LEU A 92 24.107 -19.635 12.314 1.00 0.00 ATOM 701 O LEU A 92 26.002 -23.407 10.325 1.00 0.00 ATOM 702 C LEU A 92 26.286 -23.324 11.520 1.00 0.00 ATOM 703 N THR A 93 27.587 -23.726 11.977 1.00 0.00 ATOM 704 CA THR A 93 28.684 -24.182 11.165 1.00 0.00 ATOM 705 CB THR A 93 28.196 -24.717 9.804 1.00 0.00 ATOM 706 CG2 THR A 93 27.244 -25.887 10.005 1.00 0.00 ATOM 707 OG1 THR A 93 27.510 -23.676 9.097 1.00 0.00 ATOM 708 O THR A 93 30.654 -23.435 10.100 1.00 0.00 ATOM 709 C THR A 93 29.730 -23.142 10.838 1.00 0.00 ATOM 710 N LEU A 94 29.675 -21.993 11.505 1.00 0.00 ATOM 711 CA LEU A 94 30.719 -20.999 11.357 1.00 0.00 ATOM 712 CB LEU A 94 30.148 -19.594 11.558 1.00 0.00 ATOM 713 CG LEU A 94 29.028 -19.175 10.602 1.00 0.00 ATOM 714 CD1 LEU A 94 28.503 -17.794 10.963 1.00 0.00 ATOM 715 CD2 LEU A 94 29.530 -19.134 9.168 1.00 0.00 ATOM 716 O LEU A 94 31.643 -21.862 13.403 1.00 0.00 ATOM 717 C LEU A 94 31.836 -21.217 12.383 1.00 0.00 ATOM 718 N ARG A 95 32.994 -20.626 12.094 1.00 0.00 ATOM 719 CA ARG A 95 34.205 -20.709 12.923 1.00 0.00 ATOM 720 CB ARG A 95 35.400 -21.132 12.063 1.00 0.00 ATOM 721 CG ARG A 95 36.726 -21.145 12.830 1.00 0.00 ATOM 722 CD ARG A 95 37.688 -22.236 12.343 1.00 0.00 ATOM 723 NE ARG A 95 37.684 -22.396 10.894 1.00 0.00 ATOM 724 CZ ARG A 95 36.967 -23.307 10.240 1.00 0.00 ATOM 725 NH1 ARG A 95 36.186 -24.149 10.911 1.00 0.00 ATOM 726 NH2 ARG A 95 37.034 -23.390 8.913 1.00 0.00 ATOM 727 O ARG A 95 34.606 -18.368 12.602 1.00 0.00 ATOM 728 C ARG A 95 34.558 -19.302 13.420 1.00 0.00 ATOM 729 N VAL A 96 34.676 -19.158 14.728 1.00 0.00 ATOM 730 CA VAL A 96 34.885 -17.835 15.315 1.00 0.00 ATOM 731 CB VAL A 96 34.010 -17.657 16.565 1.00 0.00 ATOM 732 CG1 VAL A 96 34.464 -16.429 17.345 1.00 0.00 ATOM 733 CG2 VAL A 96 32.556 -17.500 16.145 1.00 0.00 ATOM 734 O VAL A 96 36.808 -18.593 16.492 1.00 0.00 ATOM 735 C VAL A 96 36.337 -17.741 15.751 1.00 0.00 ATOM 736 N ASP A 97 36.995 -16.679 15.261 1.00 0.00 ATOM 737 CA ASP A 97 38.405 -16.456 15.629 1.00 0.00 ATOM 738 CB ASP A 97 38.912 -15.143 15.030 1.00 0.00 ATOM 739 CG ASP A 97 39.116 -15.226 13.530 1.00 0.00 ATOM 740 OD1 ASP A 97 39.096 -16.351 12.990 1.00 0.00 ATOM 741 OD2 ASP A 97 39.294 -14.165 12.895 1.00 0.00 ATOM 742 O ASP A 97 39.476 -16.980 17.734 1.00 0.00 ATOM 743 C ASP A 97 38.568 -16.383 17.135 1.00 0.00 ATOM 744 N VAL A 98 37.723 -15.524 17.849 1.00 0.00 ATOM 745 CA VAL A 98 37.860 -15.308 19.274 1.00 0.00 ATOM 746 CB VAL A 98 36.892 -14.221 19.776 1.00 0.00 ATOM 747 CG1 VAL A 98 36.911 -14.152 21.297 1.00 0.00 ATOM 748 CG2 VAL A 98 37.288 -12.860 19.228 1.00 0.00 ATOM 749 O VAL A 98 38.261 -16.880 21.029 1.00 0.00 ATOM 750 C VAL A 98 37.560 -16.570 20.065 1.00 0.00 ATOM 751 N SER A 99 36.500 -17.295 19.686 1.00 0.00 ATOM 752 CA SER A 99 36.150 -18.531 20.379 1.00 0.00 ATOM 753 CB SER A 99 34.876 -19.161 19.869 1.00 0.00 ATOM 754 OG SER A 99 34.931 -19.470 18.487 1.00 0.00 ATOM 755 O SER A 99 37.754 -20.112 21.243 1.00 0.00 ATOM 756 C SER A 99 37.341 -19.501 20.249 1.00 0.00 ATOM 757 N MET A 100 37.881 -19.609 19.045 1.00 0.00 ATOM 758 CA MET A 100 38.977 -20.545 18.843 1.00 0.00 ATOM 759 CB MET A 100 39.296 -20.761 17.382 1.00 0.00 ATOM 760 CG MET A 100 38.207 -21.510 16.637 1.00 0.00 ATOM 761 SD MET A 100 37.902 -23.317 17.332 1.00 0.00 ATOM 762 CE MET A 100 36.274 -22.998 18.384 1.00 0.00 ATOM 763 O MET A 100 41.001 -20.901 20.081 1.00 0.00 ATOM 764 C MET A 100 40.237 -20.077 19.599 1.00 0.00 ATOM 765 N GLU A 101 40.400 -18.761 19.767 1.00 0.00 ATOM 766 CA GLU A 101 41.501 -18.251 20.588 1.00 0.00 ATOM 767 CB GLU A 101 41.602 -16.735 20.466 1.00 0.00 ATOM 768 CG GLU A 101 42.738 -16.133 21.275 1.00 0.00 ATOM 769 CD GLU A 101 44.101 -16.624 20.823 1.00 0.00 ATOM 770 OE1 GLU A 101 44.448 -16.410 19.640 1.00 0.00 ATOM 771 OE2 GLU A 101 44.828 -17.224 21.647 1.00 0.00 ATOM 772 O GLU A 101 42.233 -19.087 22.722 1.00 0.00 ATOM 773 C GLU A 101 41.281 -18.689 22.034 1.00 0.00 ATOM 774 N GLU A 102 40.055 -18.660 22.538 1.00 0.00 ATOM 775 CA GLU A 102 39.765 -19.099 23.913 1.00 0.00 ATOM 776 CB GLU A 102 38.999 -18.013 24.672 1.00 0.00 ATOM 777 CG GLU A 102 39.825 -16.774 24.983 1.00 0.00 ATOM 778 CD GLU A 102 38.980 -15.631 25.511 1.00 0.00 ATOM 779 OE1 GLU A 102 37.746 -15.792 25.596 1.00 0.00 ATOM 780 OE2 GLU A 102 39.556 -14.572 25.841 1.00 0.00 ATOM 781 O GLU A 102 39.295 -21.348 23.292 1.00 0.00 ATOM 782 C GLU A 102 38.922 -20.357 23.927 1.00 0.00 ENDMDL EXPDTA 2h3rA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h3rA ATOM 1 N ASP 7 35.692 2.031 -10.512 1.00 0.00 ATOM 2 CA ASP 7 35.341 1.251 -9.337 1.00 0.00 ATOM 3 CB ASP 7 35.229 -0.210 -9.680 1.00 0.00 ATOM 4 CG ASP 7 34.996 -0.439 -11.145 1.00 0.00 ATOM 5 OD1 ASP 7 34.596 0.525 -11.853 1.00 0.00 ATOM 6 OD2 ASP 7 35.175 -1.548 -11.663 1.00 0.00 ATOM 7 O ASP 7 37.217 2.234 -8.308 1.00 0.00 ATOM 8 C ASP 7 36.352 1.392 -8.249 1.00 0.00 ATOM 9 N LYS 8 36.215 0.610 -7.186 1.00 0.00 ATOM 10 CA LYS 8 37.124 0.788 -6.058 1.00 0.00 ATOM 11 CB LYS 8 36.474 1.766 -5.083 1.00 0.00 ATOM 12 CG LYS 8 35.227 2.447 -5.678 1.00 0.00 ATOM 13 CD LYS 8 34.264 2.931 -4.592 1.00 0.00 ATOM 14 CE LYS 8 32.956 3.436 -5.177 1.00 0.00 ATOM 15 NZ LYS 8 31.901 3.516 -4.129 1.00 0.00 ATOM 16 O LYS 8 38.604 -0.967 -5.351 1.00 0.00 ATOM 17 C LYS 8 37.457 -0.496 -5.329 1.00 0.00 ATOM 18 N THR 9 36.447 -1.038 -4.655 1.00 0.00 ATOM 19 CA THR 9 36.597 -2.278 -3.905 1.00 0.00 ATOM 20 CB THR 9 35.225 -2.893 -3.573 1.00 0.00 ATOM 21 CG2 THR 9 34.859 -3.944 -4.619 1.00 0.00 ATOM 22 OG1 THR 9 35.264 -3.499 -2.273 1.00 0.00 ATOM 23 O THR 9 37.240 -3.194 -6.030 1.00 0.00 ATOM 24 C THR 9 37.363 -3.250 -4.797 1.00 0.00 ATOM 25 N TYR 10 38.156 -4.123 -4.179 1.00 0.00 ATOM 26 CA TYR 10 38.924 -5.108 -4.930 1.00 0.00 ATOM 27 CB TYR 10 39.757 -5.984 -3.998 1.00 0.00 ATOM 28 CG TYR 10 41.233 -5.794 -4.184 1.00 0.00 ATOM 29 CD1 TYR 10 41.897 -4.758 -3.551 1.00 0.00 ATOM 30 CD2 TYR 10 41.956 -6.628 -5.005 1.00 0.00 ATOM 31 CE1 TYR 10 43.239 -4.562 -3.728 1.00 0.00 ATOM 32 CE2 TYR 10 43.296 -6.440 -5.188 1.00 0.00 ATOM 33 CZ TYR 10 43.936 -5.405 -4.547 1.00 0.00 ATOM 34 OH TYR 10 45.287 -5.214 -4.710 1.00 0.00 ATOM 35 O TYR 10 38.270 -6.396 -6.827 1.00 0.00 ATOM 36 C TYR 10 37.985 -6.002 -5.704 1.00 0.00 ATOM 37 N GLU 11 36.860 -6.321 -5.083 1.00 0.00 ATOM 38 CA GLU 11 35.855 -7.175 -5.714 1.00 0.00 ATOM 39 CB GLU 11 34.598 -7.272 -4.848 1.00 0.00 ATOM 40 CG GLU 11 34.679 -8.263 -3.698 1.00 0.00 ATOM 41 CD GLU 11 33.306 -8.593 -3.150 1.00 0.00 ATOM 42 OE1 GLU 11 32.490 -9.127 -3.922 1.00 0.00 ATOM 43 OE2 GLU 11 33.032 -8.322 -1.964 1.00 0.00 ATOM 44 O GLU 11 35.723 -7.318 -8.089 1.00 0.00 ATOM 45 C GLU 11 35.470 -6.658 -7.084 1.00 0.00 ATOM 46 N GLU 12 34.857 -5.474 -7.106 1.00 0.00 ATOM 47 CA GLU 12 34.407 -4.810 -8.335 1.00 0.00 ATOM 48 CB GLU 12 34.039 -3.363 -8.044 1.00 0.00 ATOM 49 CG GLU 12 32.850 -3.184 -7.100 1.00 0.00 ATOM 50 CD GLU 12 32.697 -1.746 -6.646 1.00 0.00 ATOM 51 OE1 GLU 12 31.760 -1.433 -5.892 1.00 0.00 ATOM 52 OE2 GLU 12 33.534 -0.919 -7.054 1.00 0.00 ATOM 53 O GLU 12 35.132 -5.170 -10.587 1.00 0.00 ATOM 54 C GLU 12 35.443 -4.831 -9.448 1.00 0.00 ATOM 55 N MET 13 36.667 -4.451 -9.116 1.00 0.00 ATOM 56 CA MET 13 37.750 -4.433 -10.084 1.00 0.00 ATOM 57 CB MET 13 39.015 -3.856 -9.441 1.00 0.00 ATOM 58 CG MET 13 39.027 -2.343 -9.356 1.00 0.00 ATOM 59 SD MET 13 39.094 -1.512 -11.122 1.00 0.00 ATOM 60 CE MET 13 41.002 -1.577 -11.420 1.00 0.00 ATOM 61 O MET 13 38.167 -5.968 -11.890 1.00 0.00 ATOM 62 C MET 13 38.044 -5.820 -10.671 1.00 0.00 ATOM 63 N VAL 14 38.167 -6.830 -9.813 1.00 0.00 ATOM 64 CA VAL 14 38.447 -8.173 -10.298 1.00 0.00 ATOM 65 CB VAL 14 38.750 -9.155 -9.130 1.00 0.00 ATOM 66 CG1 VAL 14 38.982 -10.565 -9.663 1.00 0.00 ATOM 67 CG2 VAL 14 39.982 -8.699 -8.389 1.00 0.00 ATOM 68 O VAL 14 37.416 -9.267 -12.178 1.00 0.00 ATOM 69 C VAL 14 37.251 -8.660 -11.115 1.00 0.00 ATOM 70 N LYS 15 36.044 -8.390 -10.632 1.00 0.00 ATOM 71 CA LYS 15 34.858 -8.792 -11.376 1.00 0.00 ATOM 72 CB LYS 15 33.585 -8.344 -10.657 1.00 0.00 ATOM 73 CG LYS 15 32.315 -8.789 -11.340 1.00 0.00 ATOM 74 CD LYS 15 31.115 -8.533 -10.452 1.00 0.00 ATOM 75 CE LYS 15 29.944 -9.430 -10.851 1.00 0.00 ATOM 76 NZ LYS 15 30.255 -10.877 -10.746 1.00 0.00 ATOM 77 O LYS 15 34.662 -8.791 -13.766 1.00 0.00 ATOM 78 C LYS 15 34.908 -8.140 -12.756 1.00 0.00 ATOM 79 N GLU 16 35.229 -6.847 -12.784 1.00 0.00 ATOM 80 CA GLU 16 35.327 -6.088 -14.022 1.00 0.00 ATOM 81 CB GLU 16 35.654 -4.633 -13.725 1.00 0.00 ATOM 82 CG GLU 16 35.623 -3.711 -14.941 1.00 0.00 ATOM 83 CD GLU 16 34.207 -3.457 -15.429 1.00 0.00 ATOM 84 OE1 GLU 16 33.773 -4.131 -16.387 1.00 0.00 ATOM 85 OE2 GLU 16 33.515 -2.591 -14.838 1.00 0.00 ATOM 86 O GLU 16 36.146 -6.882 -16.122 1.00 0.00 ATOM 87 C GLU 16 36.404 -6.628 -14.946 1.00 0.00 ATOM 88 N VAL 17 37.617 -6.775 -14.421 1.00 0.00 ATOM 89 CA VAL 17 38.750 -7.277 -15.199 1.00 0.00 ATOM 90 CB VAL 17 40.036 -7.378 -14.339 1.00 0.00 ATOM 91 CG1 VAL 17 41.144 -8.027 -15.145 1.00 0.00 ATOM 92 CG2 VAL 17 40.473 -5.988 -13.885 1.00 0.00 ATOM 93 O VAL 17 38.790 -8.873 -16.992 1.00 0.00 ATOM 94 C VAL 17 38.487 -8.646 -15.820 1.00 0.00 ATOM 95 N GLU 18 37.941 -9.560 -15.026 1.00 0.00 ATOM 96 CA GLU 18 37.644 -10.907 -15.500 1.00 0.00 ATOM 97 CB GLU 18 37.207 -11.770 -14.314 1.00 0.00 ATOM 98 CG GLU 18 36.579 -13.108 -14.663 1.00 0.00 ATOM 99 CD GLU 18 37.560 -14.086 -15.275 1.00 0.00 ATOM 100 OE1 GLU 18 38.703 -14.171 -14.788 1.00 0.00 ATOM 101 OE2 GLU 18 37.176 -14.784 -16.237 1.00 0.00 ATOM 102 O GLU 18 36.659 -11.497 -17.615 1.00 0.00 ATOM 103 C GLU 18 36.561 -10.834 -16.579 1.00 0.00 ATOM 104 N ARG 19 35.545 -10.008 -16.341 1.00 0.00 ATOM 105 CA ARG 19 34.459 -9.802 -17.293 1.00 0.00 ATOM 106 CB ARG 19 33.504 -8.716 -16.800 1.00 0.00 ATOM 107 CG ARG 19 32.355 -8.441 -17.748 1.00 0.00 ATOM 108 CD ARG 19 31.501 -7.276 -17.272 1.00 0.00 ATOM 109 NE ARG 19 32.179 -5.998 -17.447 1.00 0.00 ATOM 110 CZ ARG 19 32.389 -5.417 -18.628 1.00 0.00 ATOM 111 NH1 ARG 19 31.972 -6.002 -19.750 1.00 0.00 ATOM 112 NH2 ARG 19 33.018 -4.249 -18.691 1.00 0.00 ATOM 113 O ARG 19 34.460 -9.780 -19.681 1.00 0.00 ATOM 114 C ARG 19 34.991 -9.375 -18.653 1.00 0.00 ATOM 115 N LEU 20 36.023 -8.537 -18.658 1.00 0.00 ATOM 116 CA LEU 20 36.613 -8.070 -19.908 1.00 0.00 ATOM 117 CB LEU 20 37.405 -6.772 -19.696 1.00 0.00 ATOM 118 CG LEU 20 36.656 -5.452 -19.478 1.00 0.00 ATOM 119 CD1 LEU 20 37.647 -4.352 -19.069 1.00 0.00 ATOM 120 CD2 LEU 20 35.922 -5.070 -20.748 1.00 0.00 ATOM 121 O LEU 20 37.728 -9.099 -21.740 1.00 0.00 ATOM 122 C LEU 20 37.532 -9.110 -20.531 1.00 0.00 ATOM 123 N LYS 21 38.102 -9.999 -19.719 1.00 0.00 ATOM 124 CA LYS 21 38.999 -11.027 -20.250 1.00 0.00 ATOM 125 CB LYS 21 39.896 -11.604 -19.137 1.00 0.00 ATOM 126 CG LYS 21 40.889 -10.585 -18.547 1.00 0.00 ATOM 127 CD LYS 21 41.868 -11.209 -17.545 1.00 0.00 ATOM 128 CE LYS 21 42.948 -10.206 -17.095 1.00 0.00 ATOM 129 NZ LYS 21 43.928 -10.768 -16.109 1.00 0.00 ATOM 130 O LYS 21 38.612 -12.793 -21.862 1.00 0.00 ATOM 131 C LYS 21 38.172 -12.132 -20.910 1.00 0.00 ATOM 132 N LEU 22 36.963 -12.326 -20.394 1.00 0.00 ATOM 133 CA LEU 22 36.051 -13.315 -20.941 1.00 0.00 ATOM 134 CB LEU 22 34.944 -13.591 -19.934 1.00 0.00 ATOM 135 CG LEU 22 35.234 -14.758 -18.999 1.00 0.00 ATOM 136 CD1 LEU 22 34.370 -14.687 -17.754 1.00 0.00 ATOM 137 CD2 LEU 22 34.992 -16.035 -19.778 1.00 0.00 ATOM 138 O LEU 22 35.450 -13.461 -23.272 1.00 0.00 ATOM 139 C LEU 22 35.464 -12.773 -22.249 1.00 0.00 ATOM 140 N GLU 23 34.984 -11.535 -22.217 1.00 0.00 ATOM 141 CA GLU 23 34.437 -10.934 -23.416 1.00 0.00 ATOM 142 CB GLU 23 33.823 -9.570 -23.101 1.00 0.00 ATOM 143 CG GLU 23 33.276 -8.822 -24.308 1.00 0.00 ATOM 144 CD GLU 23 32.425 -7.622 -23.919 1.00 0.00 ATOM 145 OE1 GLU 23 31.294 -7.829 -23.420 1.00 0.00 ATOM 146 OE2 GLU 23 32.889 -6.473 -24.099 1.00 0.00 ATOM 147 O GLU 23 35.368 -10.850 -25.629 1.00 0.00 ATOM 148 C GLU 23 35.581 -10.797 -24.417 1.00 0.00 ATOM 149 N ASN 24 36.801 -10.636 -23.914 1.00 0.00 ATOM 150 CA ASN 24 37.953 -10.511 -24.803 1.00 0.00 ATOM 151 CB ASN 24 39.196 -10.049 -24.037 1.00 0.00 ATOM 152 CG ASN 24 40.460 -10.101 -24.888 1.00 0.00 ATOM 153 ND2 ASN 24 40.865 -8.949 -25.411 1.00 0.00 ATOM 154 OD1 ASN 24 41.054 -11.163 -25.082 1.00 0.00 ATOM 155 O ASN 24 38.718 -11.863 -26.617 1.00 0.00 ATOM 156 C ASN 24 38.244 -11.837 -25.488 1.00 0.00 ATOM 157 N LYS 25 37.970 -12.941 -24.806 1.00 0.00 ATOM 158 CA LYS 25 38.208 -14.243 -25.405 1.00 0.00 ATOM 159 CB LYS 25 38.139 -15.358 -24.353 1.00 0.00 ATOM 160 CG LYS 25 38.603 -16.708 -24.901 1.00 0.00 ATOM 161 CD LYS 25 38.779 -17.772 -23.821 1.00 0.00 ATOM 162 CE LYS 25 37.449 -18.272 -23.282 1.00 0.00 ATOM 163 NZ LYS 25 37.644 -19.429 -22.368 1.00 0.00 ATOM 164 O LYS 25 37.483 -14.642 -27.648 1.00 0.00 ATOM 165 C LYS 25 37.151 -14.456 -26.481 1.00 0.00 ATOM 166 N THR 26 35.878 -14.419 -26.091 1.00 0.00 ATOM 167 CA THR 26 34.795 -14.589 -27.051 1.00 0.00 ATOM 168 CB THR 26 33.491 -13.980 -26.548 1.00 0.00 ATOM 169 CG2 THR 26 32.491 -13.848 -27.686 1.00 0.00 ATOM 170 OG1 THR 26 32.943 -14.815 -25.527 1.00 0.00 ATOM 171 O THR 26 35.077 -14.461 -29.421 1.00 0.00 ATOM 172 C THR 26 35.149 -13.877 -28.340 1.00 0.00 ATOM 173 N LEU 27 35.533 -12.609 -28.224 1.00 0.00 ATOM 174 CA LEU 27 35.886 -11.830 -29.404 1.00 0.00 ATOM 175 CB LEU 27 36.191 -10.384 -29.003 1.00 0.00 ATOM 176 CG LEU 27 34.915 -9.611 -28.633 1.00 0.00 ATOM 177 CD1 LEU 27 35.232 -8.451 -27.691 1.00 0.00 ATOM 178 CD2 LEU 27 34.239 -9.129 -29.900 1.00 0.00 ATOM 179 O LEU 27 37.017 -12.418 -31.428 1.00 0.00 ATOM 180 C LEU 27 37.042 -12.444 -30.202 1.00 0.00 ATOM 181 N LYS 28 38.036 -13.002 -29.518 1.00 0.00 ATOM 182 CA LYS 28 39.162 -13.633 -30.214 1.00 0.00 ATOM 183 CB LYS 28 40.332 -13.895 -29.256 1.00 0.00 ATOM 184 CG LYS 28 41.099 -12.659 -28.782 1.00 0.00 ATOM 185 CD LYS 28 42.270 -13.072 -27.880 1.00 0.00 ATOM 186 CE LYS 28 43.294 -11.953 -27.673 1.00 0.00 ATOM 187 NZ LYS 28 42.757 -10.785 -26.900 1.00 0.00 ATOM 188 O LYS 28 39.186 -15.469 -31.785 1.00 0.00 ATOM 189 C LYS 28 38.669 -14.964 -30.790 1.00 0.00 ATOM 190 N GLN 29 37.656 -15.536 -30.150 1.00 0.00 ATOM 191 CA GLN 29 37.098 -16.791 -30.611 1.00 0.00 ATOM 192 CB GLN 29 36.196 -17.397 -29.534 1.00 0.00 ATOM 193 CG GLN 29 36.520 -18.851 -29.206 1.00 0.00 ATOM 194 CD GLN 29 36.320 -19.182 -27.734 1.00 0.00 ATOM 195 OE1 GLN 29 35.229 -19.004 -27.184 1.00 0.00 ATOM 196 NE2 GLN 29 37.380 -19.662 -27.089 1.00 0.00 ATOM 197 O GLN 29 36.324 -17.270 -32.820 1.00 0.00 ATOM 198 C GLN 29 36.309 -16.492 -31.875 1.00 0.00 ATOM 199 N LYS 30 35.635 -15.346 -31.897 1.00 0.00 ATOM 200 CA LYS 30 34.858 -14.970 -33.066 1.00 0.00 ATOM 201 CB LYS 30 34.156 -13.624 -32.863 1.00 0.00 ATOM 202 CG LYS 30 32.907 -13.712 -32.014 1.00 0.00 ATOM 203 CD LYS 30 32.166 -12.396 -31.975 1.00 0.00 ATOM 204 CE LYS 30 30.862 -12.538 -31.205 1.00 0.00 ATOM 205 NZ LYS 30 30.013 -13.625 -31.769 1.00 0.00 ATOM 206 O LYS 30 35.331 -15.424 -35.339 1.00 0.00 ATOM 207 C LYS 30 35.727 -14.904 -34.303 1.00 0.00 ATOM 208 N VAL 31 36.900 -14.272 -34.216 1.00 0.00 ATOM 209 CA VAL 31 37.777 -14.191 -35.389 1.00 0.00 ATOM 210 CB VAL 31 39.045 -13.312 -35.136 1.00 0.00 ATOM 211 CG1 VAL 31 38.636 -11.895 -34.751 1.00 0.00 ATOM 212 CG2 VAL 31 39.910 -13.931 -34.052 1.00 0.00 ATOM 213 O VAL 31 39.384 -15.966 -35.823 1.00 0.00 ATOM 214 C VAL 31 38.201 -15.604 -35.825 1.00 0.00 ATOM 215 N SER 39 42.619 -17.582 -32.471 1.00 0.00 ATOM 216 CA SER 39 43.986 -17.958 -32.132 1.00 0.00 ATOM 217 CB SER 39 44.676 -18.610 -33.330 1.00 0.00 ATOM 218 OG SER 39 46.060 -18.783 -33.076 1.00 0.00 ATOM 219 O SER 39 45.650 -16.261 -32.420 1.00 0.00 ATOM 220 C SER 39 44.816 -16.771 -31.671 1.00 0.00 ATOM 221 N ASP 40 44.581 -16.329 -30.442 1.00 0.00 ATOM 222 CA ASP 40 45.327 -15.207 -29.886 1.00 0.00 ATOM 223 CB ASP 40 44.634 -13.881 -30.224 1.00 0.00 ATOM 224 CG ASP 40 45.560 -12.678 -30.081 1.00 0.00 ATOM 225 OD1 ASP 40 46.157 -12.507 -28.997 1.00 0.00 ATOM 226 OD2 ASP 40 45.686 -11.901 -31.057 1.00 0.00 ATOM 227 O ASP 40 44.930 -14.567 -27.603 1.00 0.00 ATOM 228 C ASP 40 45.394 -15.403 -28.379 1.00 0.00 ATOM 229 N ASP 41 45.970 -16.531 -27.977 1.00 0.00 ATOM 230 CA ASP 41 46.113 -16.874 -26.573 1.00 0.00 ATOM 231 CB ASP 41 45.384 -18.185 -26.287 1.00 0.00 ATOM 232 CG ASP 41 45.568 -18.651 -24.864 1.00 0.00 ATOM 233 OD1 ASP 41 45.529 -17.796 -23.958 1.00 0.00 ATOM 234 OD2 ASP 41 45.738 -19.872 -24.654 1.00 0.00 ATOM 235 O ASP 41 48.217 -18.033 -26.399 1.00 0.00 ATOM 236 C ASP 41 47.583 -16.997 -26.195 1.00 0.00 ATOM 237 N SER 42 48.112 -15.921 -25.633 1.00 0.00 ATOM 238 CA SER 42 49.504 -15.863 -25.215 1.00 0.00 ATOM 239 CB SER 42 49.886 -14.410 -24.958 1.00 0.00 ATOM 240 OG SER 42 49.412 -13.581 -26.002 1.00 0.00 ATOM 241 O SER 42 48.897 -17.001 -23.183 1.00 0.00 ATOM 242 C SER 42 49.793 -16.672 -23.960 1.00 0.00 ATOM 243 N ILE 43 51.065 -16.984 -23.772 1.00 0.00 ATOM 244 CA ILE 43 51.517 -17.716 -22.606 1.00 0.00 ATOM 245 CB ILE 43 52.875 -18.379 -22.906 1.00 0.00 ATOM 246 CG1 ILE 43 52.644 -19.668 -23.694 1.00 0.00 ATOM 247 CG2 ILE 43 53.647 -18.611 -21.630 1.00 0.00 ATOM 248 CD1 ILE 43 52.273 -19.466 -25.162 1.00 0.00 ATOM 249 O ILE 43 52.102 -15.581 -21.685 1.00 0.00 ATOM 250 C ILE 43 51.666 -16.707 -21.467 1.00 0.00 ATOM 251 N LEU 44 51.302 -17.115 -20.258 1.00 0.00 ATOM 252 CA LEU 44 51.387 -16.252 -19.087 1.00 0.00 ATOM 253 CB LEU 44 50.713 -16.964 -17.920 1.00 0.00 ATOM 254 CG LEU 44 49.967 -16.138 -16.882 1.00 0.00 ATOM 255 CD1 LEU 44 49.017 -15.164 -17.565 1.00 0.00 ATOM 256 CD2 LEU 44 49.215 -17.093 -15.958 1.00 0.00 ATOM 257 O LEU 44 53.734 -16.738 -18.954 1.00 0.00 ATOM 258 C LEU 44 52.844 -15.925 -18.738 1.00 0.00 ATOM 259 N THR 45 53.080 -14.726 -18.216 1.00 0.00 ATOM 260 CA THR 45 54.424 -14.308 -17.816 1.00 0.00 ATOM 261 CB THR 45 54.696 -12.832 -18.182 1.00 0.00 ATOM 262 CG2 THR 45 56.042 -12.387 -17.630 1.00 0.00 ATOM 263 OG1 THR 45 54.689 -12.679 -19.606 1.00 0.00 ATOM 264 O THR 45 53.485 -14.290 -15.615 1.00 0.00 ATOM 265 C THR 45 54.499 -14.446 -16.300 1.00 0.00 ATOM 266 N ALA 46 55.687 -14.733 -15.774 1.00 0.00 ATOM 267 CA ALA 46 55.851 -14.901 -14.331 1.00 0.00 ATOM 268 CB ALA 46 57.314 -14.951 -13.967 1.00 0.00 ATOM 269 O ALA 46 54.482 -14.068 -12.563 1.00 0.00 ATOM 270 C ALA 46 55.164 -13.796 -13.545 1.00 0.00 ATOM 271 N ALA 47 55.337 -12.555 -13.986 1.00 0.00 ATOM 272 CA ALA 47 54.733 -11.414 -13.316 1.00 0.00 ATOM 273 CB ALA 47 55.350 -10.129 -13.832 1.00 0.00 ATOM 274 O ALA 47 52.464 -11.205 -12.556 1.00 0.00 ATOM 275 C ALA 47 53.222 -11.387 -13.512 1.00 0.00 ATOM 276 N LYS 48 52.796 -11.562 -14.759 1.00 0.00 ATOM 277 CA LYS 48 51.385 -11.563 -15.119 1.00 0.00 ATOM 278 CB LYS 48 51.230 -11.951 -16.590 1.00 0.00 ATOM 279 CG LYS 48 49.894 -11.582 -17.209 1.00 0.00 ATOM 280 CD LYS 48 49.887 -10.124 -17.632 1.00 0.00 ATOM 281 CE LYS 48 48.673 -9.790 -18.488 1.00 0.00 ATOM 282 NZ LYS 48 48.799 -8.452 -19.143 1.00 0.00 ATOM 283 O LYS 48 49.619 -12.224 -13.633 1.00 0.00 ATOM 284 C LYS 48 50.628 -12.561 -14.256 1.00 0.00 ATOM 285 N ARG 49 51.117 -13.797 -14.223 1.00 0.00 ATOM 286 CA ARG 49 50.458 -14.831 -13.424 1.00 0.00 ATOM 287 CB ARG 49 51.202 -16.175 -13.483 1.00 0.00 ATOM 288 CG ARG 49 50.533 -17.243 -12.616 1.00 0.00 ATOM 289 CD ARG 49 51.373 -18.503 -12.423 1.00 0.00 ATOM 290 NE ARG 49 51.651 -19.190 -13.676 1.00 0.00 ATOM 291 CZ ARG 49 52.762 -19.034 -14.385 1.00 0.00 ATOM 292 NH1 ARG 49 53.714 -18.215 -13.957 1.00 0.00 ATOM 293 NH2 ARG 49 52.918 -19.682 -15.530 1.00 0.00 ATOM 294 O ARG 49 49.282 -14.457 -11.367 1.00 0.00 ATOM 295 C ARG 49 50.352 -14.412 -11.965 1.00 0.00 ATOM 296 N GLU 50 51.485 -14.011 -11.404 1.00 0.00 ATOM 297 CA GLU 50 51.555 -13.588 -10.015 1.00 0.00 ATOM 298 CB GLU 50 52.995 -13.194 -9.662 1.00 0.00 ATOM 299 CG GLU 50 53.303 -13.349 -8.194 1.00 0.00 ATOM 300 CD GLU 50 53.105 -14.775 -7.723 1.00 0.00 ATOM 301 OE1 GLU 50 53.076 -15.004 -6.499 1.00 0.00 ATOM 302 OE2 GLU 50 52.982 -15.678 -8.581 1.00 0.00 ATOM 303 O GLU 50 49.944 -12.362 -8.704 1.00 0.00 ATOM 304 C GLU 50 50.603 -12.424 -9.748 1.00 0.00 ATOM 305 N SER 51 50.541 -11.500 -10.703 1.00 0.00 ATOM 306 CA SER 51 49.660 -10.349 -10.576 1.00 0.00 ATOM 307 CB SER 51 49.877 -9.414 -11.763 1.00 0.00 ATOM 308 OG SER 51 49.407 -8.118 -11.462 1.00 0.00 ATOM 309 O SER 51 47.421 -10.391 -9.688 1.00 0.00 ATOM 310 C SER 51 48.205 -10.841 -10.512 1.00 0.00 ATOM 311 N ILE 52 47.863 -11.790 -11.372 1.00 0.00 ATOM 312 CA ILE 52 46.515 -12.341 -11.396 1.00 0.00 ATOM 313 CB ILE 52 46.318 -13.286 -12.613 1.00 0.00 ATOM 314 CG1 ILE 52 46.467 -12.482 -13.913 1.00 0.00 ATOM 315 CG2 ILE 52 44.948 -13.951 -12.550 1.00 0.00 ATOM 316 CD1 ILE 52 45.688 -11.160 -14.002 1.00 0.00 ATOM 317 O ILE 52 45.073 -13.061 -9.613 1.00 0.00 ATOM 318 C ILE 52 46.204 -13.093 -10.102 1.00 0.00 ATOM 319 N ILE 53 47.202 -13.764 -9.543 1.00 0.00 ATOM 320 CA ILE 53 46.995 -14.500 -8.308 1.00 0.00 ATOM 321 CB ILE 53 48.165 -15.471 -8.051 1.00 0.00 ATOM 322 CG1 ILE 53 48.247 -16.467 -9.208 1.00 0.00 ATOM 323 CG2 ILE 53 47.976 -16.192 -6.726 1.00 0.00 ATOM 324 CD1 ILE 53 47.025 -17.400 -9.446 1.00 0.00 ATOM 325 O ILE 53 45.918 -13.771 -6.283 1.00 0.00 ATOM 326 C ILE 53 46.808 -13.561 -7.110 1.00 0.00 ATOM 327 N VAL 54 47.622 -12.516 -7.014 1.00 0.00 ATOM 328 CA VAL 54 47.484 -11.581 -5.894 1.00 0.00 ATOM 329 CB VAL 54 48.598 -10.500 -5.902 1.00 0.00 ATOM 330 CG1 VAL 54 48.473 -9.618 -4.682 1.00 0.00 ATOM 331 CG2 VAL 54 49.951 -11.154 -5.925 1.00 0.00 ATOM 332 O VAL 54 45.532 -10.624 -4.854 1.00 0.00 ATOM 333 C VAL 54 46.116 -10.873 -5.916 1.00 0.00 ATOM 334 N SER 55 45.616 -10.550 -7.114 1.00 0.00 ATOM 335 CA SER 55 44.326 -9.877 -7.264 1.00 0.00 ATOM 336 CB SER 55 44.089 -9.459 -8.720 1.00 0.00 ATOM 337 OG SER 55 45.121 -8.644 -9.225 1.00 0.00 ATOM 338 O SER 55 42.367 -10.461 -5.991 1.00 0.00 ATOM 339 C SER 55 43.169 -10.785 -6.871 1.00 0.00 ATOM 340 N SER 56 43.076 -11.916 -7.560 1.00 0.00 ATOM 341 CA SER 56 42.014 -12.882 -7.306 1.00 0.00 ATOM 342 CB SER 56 42.265 -14.156 -8.120 1.00 0.00 ATOM 343 OG SER 56 42.412 -13.854 -9.488 1.00 0.00 ATOM 344 O SER 56 40.846 -13.280 -5.243 1.00 0.00 ATOM 345 C SER 56 41.932 -13.222 -5.820 1.00 0.00 ATOM 346 N SER 57 43.091 -13.452 -5.209 1.00 0.00 ATOM 347 CA SER 57 43.140 -13.790 -3.799 1.00 0.00 ATOM 348 CB SER 57 44.585 -13.971 -3.347 1.00 0.00 ATOM 349 OG SER 57 45.206 -15.009 -4.071 1.00 0.00 ATOM 350 O SER 57 41.624 -12.912 -2.175 1.00 0.00 ATOM 351 C SER 57 42.501 -12.672 -3.003 1.00 0.00 ATOM 352 N ARG 58 42.937 -11.447 -3.262 1.00 0.00 ATOM 353 CA ARG 58 42.399 -10.307 -2.541 1.00 0.00 ATOM 354 CB ARG 58 43.146 -9.033 -2.926 1.00 0.00 ATOM 355 CG ARG 58 44.569 -8.993 -2.377 1.00 0.00 ATOM 356 CD ARG 58 45.264 -7.662 -2.654 1.00 0.00 ATOM 357 NE ARG 58 46.579 -7.603 -2.021 1.00 0.00 ATOM 358 CZ ARG 58 47.599 -6.884 -2.473 1.00 0.00 ATOM 359 NH1 ARG 58 47.469 -6.153 -3.569 1.00 0.00 ATOM 360 NH2 ARG 58 48.755 -6.898 -1.837 1.00 0.00 ATOM 361 O ARG 58 40.171 -9.874 -1.772 1.00 0.00 ATOM 362 C ARG 58 40.897 -10.143 -2.733 1.00 0.00 ATOM 363 N ALA 59 40.422 -10.314 -3.964 1.00 0.00 ATOM 364 CA ALA 59 38.992 -10.208 -4.226 1.00 0.00 ATOM 365 CB ALA 59 38.705 -10.406 -5.690 1.00 0.00 ATOM 366 O ALA 59 37.342 -10.967 -2.662 1.00 0.00 ATOM 367 C ALA 59 38.271 -11.272 -3.408 1.00 0.00 ATOM 368 N LEU 60 38.695 -12.523 -3.551 1.00 0.00 ATOM 369 CA LEU 60 38.078 -13.609 -2.788 1.00 0.00 ATOM 370 CB LEU 60 38.656 -14.959 -3.229 1.00 0.00 ATOM 371 CG LEU 60 38.135 -15.355 -4.619 1.00 0.00 ATOM 372 CD1 LEU 60 38.850 -16.580 -5.185 1.00 0.00 ATOM 373 CD2 LEU 60 36.648 -15.615 -4.496 1.00 0.00 ATOM 374 O LEU 60 37.466 -13.821 -0.463 1.00 0.00 ATOM 375 C LEU 60 38.269 -13.377 -1.282 1.00 0.00 ATOM 376 N GLY 61 39.327 -12.653 -0.927 1.00 0.00 ATOM 377 CA GLY 61 39.576 -12.354 0.469 1.00 0.00 ATOM 378 O GLY 61 38.037 -11.597 2.124 1.00 0.00 ATOM 379 C GLY 61 38.495 -11.439 1.001 1.00 0.00 ATOM 380 N ALA 62 38.100 -10.467 0.185 1.00 0.00 ATOM 381 CA ALA 62 37.057 -9.504 0.545 1.00 0.00 ATOM 382 CB ALA 62 36.874 -8.485 -0.587 1.00 0.00 ATOM 383 O ALA 62 35.044 -9.946 1.771 1.00 0.00 ATOM 384 C ALA 62 35.747 -10.233 0.800 1.00 0.00 ATOM 385 N VAL 63 35.410 -11.165 -0.089 1.00 0.00 ATOM 386 CA VAL 63 34.186 -11.939 0.063 1.00 0.00 ATOM 387 CB VAL 63 33.992 -12.942 -1.103 1.00 0.00 ATOM 388 CG1 VAL 63 32.707 -13.725 -0.907 1.00 0.00 ATOM 389 CG2 VAL 63 33.932 -12.199 -2.445 1.00 0.00 ATOM 390 O VAL 63 33.361 -12.725 2.172 1.00 0.00 ATOM 391 C VAL 63 34.299 -12.698 1.374 1.00 0.00 ATOM 392 N ALA 64 35.462 -13.294 1.615 1.00 0.00 ATOM 393 CA ALA 64 35.681 -14.023 2.854 1.00 0.00 ATOM 394 CB ALA 64 37.057 -14.654 2.851 1.00 0.00 ATOM 395 O ALA 64 34.867 -13.434 5.047 1.00 0.00 ATOM 396 C ALA 64 35.519 -13.085 4.052 1.00 0.00 ATOM 397 N MET 65 36.088 -11.886 3.954 1.00 0.00 ATOM 398 CA MET 65 35.975 -10.924 5.037 1.00 0.00 ATOM 399 CB MET 65 36.639 -9.602 4.660 1.00 0.00 ATOM 400 CG MET 65 37.796 -9.192 5.567 1.00 0.00 ATOM 401 SD MET 65 37.442 -9.341 7.472 1.00 0.00 ATOM 402 CE MET 65 35.886 -8.209 7.628 1.00 0.00 ATOM 403 O MET 65 34.109 -10.972 6.540 1.00 0.00 ATOM 404 C MET 65 34.516 -10.667 5.413 1.00 0.00 ATOM 405 N ARG 66 33.729 -10.124 4.481 1.00 0.00 ATOM 406 CA ARG 66 32.333 -9.817 4.792 1.00 0.00 ATOM 407 CB ARG 66 31.648 -9.027 3.653 1.00 0.00 ATOM 408 CG ARG 66 31.631 -9.676 2.288 1.00 0.00 ATOM 409 CD ARG 66 31.067 -8.722 1.243 1.00 0.00 ATOM 410 NE ARG 66 31.225 -9.241 -0.119 1.00 0.00 ATOM 411 CZ ARG 66 30.420 -10.130 -0.706 1.00 0.00 ATOM 412 NH1 ARG 66 29.363 -10.626 -0.072 1.00 0.00 ATOM 413 NH2 ARG 66 30.703 -10.542 -1.932 1.00 0.00 ATOM 414 O ARG 66 30.606 -10.857 6.067 1.00 0.00 ATOM 415 C ARG 66 31.485 -11.012 5.214 1.00 0.00 ATOM 416 N LYS 67 31.731 -12.202 4.661 1.00 0.00 ATOM 417 CA LYS 67 30.949 -13.364 5.118 1.00 0.00 ATOM 418 CB LYS 67 31.232 -14.617 4.290 1.00 0.00 ATOM 419 CG LYS 67 30.396 -14.720 3.039 1.00 0.00 ATOM 420 CD LYS 67 30.774 -15.939 2.221 1.00 0.00 ATOM 421 CE LYS 67 30.019 -15.978 0.909 1.00 0.00 ATOM 422 NZ LYS 67 30.111 -17.320 0.277 1.00 0.00 ATOM 423 O LYS 67 30.442 -13.846 7.409 1.00 0.00 ATOM 424 C LYS 67 31.314 -13.640 6.569 1.00 0.00 ATOM 425 N ILE 68 32.615 -13.624 6.858 1.00 0.00 ATOM 426 CA ILE 68 33.119 -13.864 8.208 1.00 0.00 ATOM 427 CB ILE 68 34.660 -13.786 8.242 1.00 0.00 ATOM 428 CG1 ILE 68 35.244 -14.979 7.487 1.00 0.00 ATOM 429 CG2 ILE 68 35.157 -13.784 9.668 1.00 0.00 ATOM 430 CD1 ILE 68 36.719 -14.844 7.109 1.00 0.00 ATOM 431 O ILE 68 32.113 -13.288 10.299 1.00 0.00 ATOM 432 C ILE 68 32.551 -12.883 9.228 1.00 0.00 ATOM 433 N GLU 69 32.568 -11.595 8.904 1.00 0.00 ATOM 434 CA GLU 69 32.031 -10.593 9.820 1.00 0.00 ATOM 435 CB GLU 69 32.189 -9.189 9.232 1.00 0.00 ATOM 436 CG GLU 69 31.168 -8.191 9.748 1.00 0.00 ATOM 437 CD GLU 69 31.764 -6.822 9.999 1.00 0.00 ATOM 438 OE1 GLU 69 32.622 -6.404 9.194 1.00 0.00 ATOM 439 OE2 GLU 69 31.372 -6.163 10.990 1.00 0.00 ATOM 440 O GLU 69 30.091 -10.837 11.223 1.00 0.00 ATOM 441 C GLU 69 30.557 -10.873 10.081 1.00 0.00 ATOM 442 N ALA 70 29.828 -11.160 9.011 1.00 0.00 ATOM 443 CA ALA 70 28.410 -11.440 9.134 1.00 0.00 ATOM 444 CB ALA 70 27.803 -11.749 7.757 1.00 0.00 ATOM 445 O ALA 70 27.447 -12.423 11.092 1.00 0.00 ATOM 446 C ALA 70 28.167 -12.594 10.104 1.00 0.00 ATOM 447 N LYS 71 28.776 -13.752 9.825 1.00 0.00 ATOM 448 CA LYS 71 28.610 -14.938 10.676 1.00 0.00 ATOM 449 CB LYS 71 29.421 -16.116 10.137 1.00 0.00 ATOM 450 CG LYS 71 28.814 -16.782 8.920 1.00 0.00 ATOM 451 CD LYS 71 29.621 -17.999 8.501 1.00 0.00 ATOM 452 CE LYS 71 28.894 -18.797 7.434 1.00 0.00 ATOM 453 NZ LYS 71 29.652 -20.024 7.070 1.00 0.00 ATOM 454 O LYS 71 28.271 -15.010 13.037 1.00 0.00 ATOM 455 C LYS 71 29.008 -14.682 12.115 1.00 0.00 ATOM 456 N VAL 72 30.180 -14.092 12.298 1.00 0.00 ATOM 457 CA VAL 72 30.654 -13.774 13.632 1.00 0.00 ATOM 458 CB VAL 72 31.999 -13.025 13.604 1.00 0.00 ATOM 459 CG1 VAL 72 32.336 -12.513 15.006 1.00 0.00 ATOM 460 CG2 VAL 72 33.086 -13.951 13.094 1.00 0.00 ATOM 461 O VAL 72 29.123 -13.252 15.388 1.00 0.00 ATOM 462 C VAL 72 29.635 -12.896 14.327 1.00 0.00 ATOM 463 N ARG 73 29.344 -11.746 13.725 1.00 0.00 ATOM 464 CA ARG 73 28.381 -10.829 14.304 1.00 0.00 ATOM 465 CB ARG 73 28.140 -9.661 13.356 1.00 0.00 ATOM 466 CG ARG 73 27.033 -8.755 13.807 1.00 0.00 ATOM 467 CD ARG 73 26.837 -7.569 12.883 1.00 0.00 ATOM 468 NE ARG 73 27.731 -6.458 13.202 1.00 0.00 ATOM 469 CZ ARG 73 28.964 -6.335 12.737 1.00 0.00 ATOM 470 NH1 ARG 73 29.446 -7.266 11.933 1.00 0.00 ATOM 471 NH2 ARG 73 29.700 -5.279 13.063 1.00 0.00 ATOM 472 O ARG 73 26.462 -11.378 15.657 1.00 0.00 ATOM 473 C ARG 73 27.081 -11.585 14.618 1.00 0.00 ATOM 474 N SER 74 26.702 -12.496 13.732 1.00 0.00 ATOM 475 CA SER 74 25.502 -13.301 13.902 1.00 0.00 ATOM 476 CB SER 74 25.260 -14.119 12.626 1.00 0.00 ATOM 477 OG SER 74 24.108 -14.942 12.728 1.00 0.00 ATOM 478 O SER 74 24.664 -14.322 15.919 1.00 0.00 ATOM 479 C SER 74 25.588 -14.248 15.109 1.00 0.00 ATOM 480 N ARG 75 26.701 -14.973 15.222 1.00 0.00 ATOM 481 CA ARG 75 26.893 -15.929 16.308 1.00 0.00 ATOM 482 CB ARG 75 27.929 -16.973 15.901 1.00 0.00 ATOM 483 CG ARG 75 27.500 -17.773 14.708 1.00 0.00 ATOM 484 CD ARG 75 28.420 -18.924 14.417 1.00 0.00 ATOM 485 NE ARG 75 28.168 -19.449 13.082 1.00 0.00 ATOM 486 CZ ARG 75 28.804 -20.489 12.552 1.00 0.00 ATOM 487 NH1 ARG 75 29.736 -21.128 13.243 1.00 0.00 ATOM 488 NH2 ARG 75 28.518 -20.882 11.316 1.00 0.00 ATOM 489 O ARG 75 27.188 -16.044 18.680 1.00 0.00 ATOM 490 C ARG 75 27.286 -15.355 17.667 1.00 0.00 ATOM 491 N ALA 76 27.731 -14.107 17.697 1.00 0.00 ATOM 492 CA ALA 76 28.138 -13.490 18.946 1.00 0.00 ATOM 493 CB ALA 76 29.309 -12.552 18.705 1.00 0.00 ATOM 494 O ALA 76 27.073 -12.288 20.708 1.00 0.00 ATOM 495 C ALA 76 26.991 -12.718 19.558 1.00 0.00 ATOM 496 N ALA 77 25.922 -12.543 18.785 1.00 0.00 ATOM 497 CA ALA 77 24.758 -11.788 19.237 1.00 0.00 ATOM 498 CB ALA 77 23.652 -11.884 18.207 1.00 0.00 ATOM 499 O ALA 77 23.792 -11.342 21.386 1.00 0.00 ATOM 500 C ALA 77 24.219 -12.195 20.607 1.00 0.00 ATOM 501 N LYS 78 24.244 -13.490 20.907 1.00 0.00 ATOM 502 CA LYS 78 23.725 -13.965 22.183 1.00 0.00 ATOM 503 CB LYS 78 23.560 -15.487 22.156 1.00 0.00 ATOM 504 CG LYS 78 24.841 -16.279 21.992 1.00 0.00 ATOM 505 CD LYS 78 24.569 -17.778 22.141 1.00 0.00 ATOM 506 CE LYS 78 25.834 -18.607 21.938 1.00 0.00 ATOM 507 NZ LYS 78 25.609 -20.074 22.132 1.00 0.00 ATOM 508 O LYS 78 24.043 -13.493 24.512 1.00 0.00 ATOM 509 C LYS 78 24.562 -13.553 23.397 1.00 0.00 ATOM 510 N ALA 79 25.846 -13.273 23.185 1.00 0.00 ATOM 511 CA ALA 79 26.715 -12.865 24.290 1.00 0.00 ATOM 512 CB ALA 79 28.162 -12.772 23.820 1.00 0.00 ATOM 513 O ALA 79 25.760 -10.653 24.136 1.00 0.00 ATOM 514 C ALA 79 26.242 -11.526 24.864 1.00 0.00 ATOM 515 N VAL 80 26.397 -11.372 26.174 1.00 0.00 ATOM 516 CA VAL 80 25.946 -10.178 26.877 1.00 0.00 ATOM 517 CB VAL 80 24.666 -10.527 27.660 1.00 0.00 ATOM 518 CG1 VAL 80 24.377 -9.497 28.732 1.00 0.00 ATOM 519 CG2 VAL 80 23.513 -10.634 26.692 1.00 0.00 ATOM 520 O VAL 80 26.863 -8.531 28.382 1.00 0.00 ATOM 521 C VAL 80 27.010 -9.623 27.823 1.00 0.00 ATOM 522 N THR 81 28.090 -10.375 27.989 1.00 0.00 ATOM 523 CA THR 81 29.160 -9.957 28.870 1.00 0.00 ATOM 524 CB THR 81 29.209 -10.882 30.106 1.00 0.00 ATOM 525 CG2 THR 81 27.841 -10.953 30.777 1.00 0.00 ATOM 526 OG1 THR 81 29.573 -12.205 29.705 1.00 0.00 ATOM 527 O THR 81 30.593 -10.650 27.089 1.00 0.00 ATOM 528 C THR 81 30.484 -9.994 28.120 1.00 0.00 ATOM 529 N GLU 82 31.484 -9.280 28.637 1.00 0.00 ATOM 530 CA GLU 82 32.806 -9.244 28.019 1.00 0.00 ATOM 531 CB GLU 82 33.751 -8.302 28.778 1.00 0.00 ATOM 532 CG GLU 82 33.472 -6.807 28.619 1.00 0.00 ATOM 533 CD GLU 82 34.706 -5.946 28.909 1.00 0.00 ATOM 534 OE1 GLU 82 35.725 -6.106 28.200 1.00 0.00 ATOM 535 OE2 GLU 82 34.665 -5.108 29.839 1.00 0.00 ATOM 536 O GLU 82 34.019 -11.064 27.046 1.00 0.00 ATOM 537 C GLU 82 33.388 -10.641 28.014 1.00 0.00 ATOM 538 N GLN 83 33.160 -11.355 29.112 1.00 0.00 ATOM 539 CA GLN 83 33.636 -12.718 29.291 1.00 0.00 ATOM 540 CB GLN 83 33.313 -13.219 30.701 1.00 0.00 ATOM 541 CG GLN 83 33.786 -12.313 31.818 1.00 0.00 ATOM 542 CD GLN 83 35.251 -12.490 32.142 1.00 0.00 ATOM 543 OE1 GLN 83 36.108 -12.444 31.260 1.00 0.00 ATOM 544 NE2 GLN 83 35.550 -12.696 33.420 1.00 0.00 ATOM 545 O GLN 83 33.612 -14.349 27.532 1.00 0.00 ATOM 546 C GLN 83 32.954 -13.621 28.283 1.00 0.00 ATOM 547 N GLU 84 31.625 -13.583 28.272 1.00 0.00 ATOM 548 CA GLU 84 30.853 -14.398 27.339 1.00 0.00 ATOM 549 CB GLU 84 29.360 -14.126 27.486 1.00 0.00 ATOM 550 CG GLU 84 28.687 -14.904 28.597 1.00 0.00 ATOM 551 CD GLU 84 27.337 -14.321 28.966 1.00 0.00 ATOM 552 OE1 GLU 84 26.659 -14.881 29.857 1.00 0.00 ATOM 553 OE2 GLU 84 26.951 -13.293 28.366 1.00 0.00 ATOM 554 O GLU 84 31.579 -15.042 25.150 1.00 0.00 ATOM 555 C GLU 84 31.282 -14.120 25.904 1.00 0.00 ATOM 556 N LEU 85 31.331 -12.849 25.531 1.00 0.00 ATOM 557 CA LEU 85 31.734 -12.483 24.184 1.00 0.00 ATOM 558 CB LEU 85 31.738 -10.963 24.019 1.00 0.00 ATOM 559 CG LEU 85 32.224 -10.498 22.646 1.00 0.00 ATOM 560 CD1 LEU 85 31.524 -11.279 21.557 1.00 0.00 ATOM 561 CD2 LEU 85 31.956 -9.014 22.492 1.00 0.00 ATOM 562 O LEU 85 33.291 -13.583 22.725 1.00 0.00 ATOM 563 C LEU 85 33.112 -13.020 23.808 1.00 0.00 ATOM 564 N THR 86 34.078 -12.845 24.701 1.00 0.00 ATOM 565 CA THR 86 35.437 -13.315 24.446 1.00 0.00 ATOM 566 CB THR 86 36.426 -12.810 25.544 1.00 0.00 ATOM 567 CG2 THR 86 37.877 -13.154 25.170 1.00 0.00 ATOM 568 OG1 THR 86 36.310 -11.388 25.683 1.00 0.00 ATOM 569 O THR 86 36.235 -15.432 23.639 1.00 0.00 ATOM 570 C THR 86 35.486 -14.840 24.412 1.00 0.00 ATOM 571 N SER 87 34.691 -15.466 25.268 1.00 0.00 ATOM 572 CA SER 87 34.640 -16.915 25.342 1.00 0.00 ATOM 573 CB SER 87 33.781 -17.329 26.538 1.00 0.00 ATOM 574 OG SER 87 33.396 -18.686 26.450 1.00 0.00 ATOM 575 O SER 87 34.610 -18.438 23.484 1.00 0.00 ATOM 576 C SER 87 34.063 -17.499 24.053 1.00 0.00 ATOM 577 N LEU 88 32.961 -16.923 23.596 1.00 0.00 ATOM 578 CA LEU 88 32.303 -17.379 22.388 1.00 0.00 ATOM 579 CB LEU 88 30.979 -16.624 22.223 1.00 0.00 ATOM 580 CG LEU 88 30.057 -16.930 21.043 1.00 0.00 ATOM 581 CD1 LEU 88 28.669 -16.398 21.364 1.00 0.00 ATOM 582 CD2 LEU 88 30.603 -16.308 19.763 1.00 0.00 ATOM 583 O LEU 88 33.297 -18.126 20.333 1.00 0.00 ATOM 584 C LEU 88 33.177 -17.211 21.147 1.00 0.00 ATOM 585 N LEU 89 33.783 -16.042 21.005 1.00 0.00 ATOM 586 CA LEU 89 34.630 -15.771 19.852 1.00 0.00 ATOM 587 CB LEU 89 35.222 -14.362 19.947 1.00 0.00 ATOM 588 CG LEU 89 34.228 -13.208 19.842 1.00 0.00 ATOM 589 CD1 LEU 89 34.896 -11.904 20.269 1.00 0.00 ATOM 590 CD2 LEU 89 33.702 -13.121 18.417 1.00 0.00 ATOM 591 O LEU 89 35.972 -17.368 18.684 1.00 0.00 ATOM 592 C LEU 89 35.757 -16.779 19.739 1.00 0.00 ATOM 593 N GLN 90 36.475 -16.977 20.835 1.00 0.00 ATOM 594 CA GLN 90 37.597 -17.902 20.842 1.00 0.00 ATOM 595 CB GLN 90 38.209 -17.952 22.240 1.00 0.00 ATOM 596 CG GLN 90 38.747 -16.598 22.695 1.00 0.00 ATOM 597 CD GLN 90 39.779 -16.721 23.797 1.00 0.00 ATOM 598 OE1 GLN 90 40.338 -15.719 24.258 1.00 0.00 ATOM 599 NE2 GLN 90 40.045 -17.952 24.226 1.00 0.00 ATOM 600 O GLN 90 37.943 -19.895 19.559 1.00 0.00 ATOM 601 C GLN 90 37.223 -19.299 20.353 1.00 0.00 ATOM 602 N SER 91 36.085 -19.803 20.813 1.00 0.00 ATOM 603 CA SER 91 35.627 -21.128 20.426 1.00 0.00 ATOM 604 CB SER 91 34.586 -21.611 21.425 1.00 0.00 ATOM 605 OG SER 91 34.282 -20.583 22.337 1.00 0.00 ATOM 606 O SER 91 34.664 -22.286 18.558 1.00 0.00 ATOM 607 C SER 91 35.044 -21.204 19.015 1.00 0.00 ATOM 608 N LEU 92 34.978 -20.066 18.330 1.00 0.00 ATOM 609 CA LEU 92 34.429 -20.004 16.977 1.00 0.00 ATOM 610 CB LEU 92 34.169 -18.558 16.558 1.00 0.00 ATOM 611 CG LEU 92 32.916 -17.828 17.000 1.00 0.00 ATOM 612 CD1 LEU 92 32.825 -16.522 16.211 1.00 0.00 ATOM 613 CD2 LEU 92 31.695 -18.705 16.754 1.00 0.00 ATOM 614 O LEU 92 36.475 -20.326 15.779 1.00 0.00 ATOM 615 C LEU 92 35.278 -20.606 15.882 1.00 0.00 ATOM 616 N THR 93 34.634 -21.413 15.049 1.00 0.00 ATOM 617 CA THR 93 35.274 -22.028 13.897 1.00 0.00 ATOM 618 CB THR 93 35.516 -23.529 14.104 1.00 0.00 ATOM 619 CG2 THR 93 36.318 -24.097 12.948 1.00 0.00 ATOM 620 OG1 THR 93 36.259 -23.724 15.310 1.00 0.00 ATOM 621 O THR 93 33.093 -22.149 12.927 1.00 0.00 ATOM 622 C THR 93 34.262 -21.803 12.783 1.00 0.00 ATOM 623 N LEU 94 34.697 -21.206 11.679 1.00 0.00 ATOM 624 CA LEU 94 33.778 -20.920 10.587 1.00 0.00 ATOM 625 CB LEU 94 33.628 -19.399 10.425 1.00 0.00 ATOM 626 CG LEU 94 33.207 -18.620 11.681 1.00 0.00 ATOM 627 CD1 LEU 94 33.163 -17.135 11.376 1.00 0.00 ATOM 628 CD2 LEU 94 31.847 -19.103 12.166 1.00 0.00 ATOM 629 O LEU 94 35.374 -21.388 8.874 1.00 0.00 ATOM 630 C LEU 94 34.219 -21.518 9.271 1.00 0.00 ATOM 631 N ARG 95 33.294 -22.192 8.604 1.00 0.00 ATOM 632 CA ARG 95 33.582 -22.768 7.300 1.00 0.00 ATOM 633 CB ARG 95 32.872 -24.105 7.149 1.00 0.00 ATOM 634 CG ARG 95 32.881 -24.642 5.742 1.00 0.00 ATOM 635 CD ARG 95 32.872 -26.157 5.776 1.00 0.00 ATOM 636 NE ARG 95 34.165 -26.701 5.372 1.00 0.00 ATOM 637 CZ ARG 95 34.631 -27.882 5.754 1.00 0.00 ATOM 638 NH1 ARG 95 33.918 -28.652 6.566 1.00 0.00 ATOM 639 NH2 ARG 95 35.807 -28.300 5.302 1.00 0.00 ATOM 640 O ARG 95 31.879 -21.371 6.322 1.00 0.00 ATOM 641 C ARG 95 33.049 -21.753 6.287 1.00 0.00 ATOM 642 N VAL 96 33.902 -21.287 5.394 1.00 0.00 ATOM 643 CA VAL 96 33.446 -20.309 4.427 1.00 0.00 ATOM 644 CB VAL 96 34.068 -18.915 4.707 1.00 0.00 ATOM 645 CG1 VAL 96 33.859 -17.979 3.530 1.00 0.00 ATOM 646 CG2 VAL 96 33.419 -18.314 5.945 1.00 0.00 ATOM 647 O VAL 96 34.786 -21.122 2.606 1.00 0.00 ATOM 648 C VAL 96 33.697 -20.698 2.981 1.00 0.00 ATOM 649 N ASP 97 32.647 -20.562 2.182 1.00 0.00 ATOM 650 CA ASP 97 32.686 -20.837 0.752 1.00 0.00 ATOM 651 CB ASP 97 31.341 -21.377 0.272 1.00 0.00 ATOM 652 CG ASP 97 31.205 -22.870 0.428 1.00 0.00 ATOM 653 OD1 ASP 97 30.068 -23.353 0.224 1.00 0.00 ATOM 654 OD2 ASP 97 32.205 -23.559 0.730 1.00 0.00 ATOM 655 O ASP 97 32.227 -18.522 0.384 1.00 0.00 ATOM 656 C ASP 97 32.896 -19.501 0.050 1.00 0.00 ATOM 657 N VAL 98 33.808 -19.459 -0.915 1.00 0.00 ATOM 658 CA VAL 98 34.047 -18.229 -1.661 1.00 0.00 ATOM 659 CB VAL 98 35.358 -17.501 -1.198 1.00 0.00 ATOM 660 CG1 VAL 98 35.202 -17.014 0.231 1.00 0.00 ATOM 661 CG2 VAL 98 36.557 -18.423 -1.306 1.00 0.00 ATOM 662 O VAL 98 34.696 -19.563 -3.557 1.00 0.00 ATOM 663 C VAL 98 34.123 -18.549 -3.156 1.00 0.00 ATOM 664 N SER 99 33.533 -17.684 -3.971 1.00 0.00 ATOM 665 CA SER 99 33.516 -17.890 -5.407 1.00 0.00 ATOM 666 CB SER 99 32.150 -18.422 -5.838 1.00 0.00 ATOM 667 OG SER 99 32.059 -18.511 -7.251 1.00 0.00 ATOM 668 O SER 99 33.417 -15.550 -5.789 1.00 0.00 ATOM 669 C SER 99 33.806 -16.636 -6.194 1.00 0.00 ATOM 670 N MET 100 34.485 -16.801 -7.328 1.00 0.00 ATOM 671 CA MET 100 34.790 -15.683 -8.213 1.00 0.00 ATOM 672 CB MET 100 35.643 -16.138 -9.399 1.00 0.00 ATOM 673 CG MET 100 37.120 -16.261 -9.120 1.00 0.00 ATOM 674 SD MET 100 37.988 -14.547 -8.815 1.00 0.00 ATOM 675 CE MET 100 38.051 -13.911 -10.649 1.00 0.00 ATOM 676 O MET 100 33.361 -13.964 -9.098 1.00 0.00 ATOM 677 C MET 100 33.466 -15.134 -8.747 1.00 0.00 ATOM 678 N GLU 101 32.445 -15.979 -8.806 1.00 0.00 ATOM 679 CA GLU 101 31.188 -15.502 -9.315 1.00 0.00 ATOM 680 CB GLU 101 30.457 -16.622 -10.088 1.00 0.00 ATOM 681 CG GLU 101 29.815 -17.723 -9.277 1.00 0.00 ATOM 682 CD GLU 101 29.094 -18.754 -10.157 1.00 0.00 ATOM 683 OE1 GLU 101 28.241 -19.493 -9.618 1.00 0.00 ATOM 684 OE2 GLU 101 29.383 -18.833 -11.375 1.00 0.00 ATOM 685 O GLU 101 29.189 -14.485 -8.492 1.00 0.00 ATOM 686 C GLU 101 30.326 -14.848 -8.236 1.00 0.00 ATOM 687 N GLU 102 30.894 -14.663 -7.044 1.00 0.00 ATOM 688 CA GLU 102 30.186 -14.006 -5.942 1.00 0.00 ATOM 689 CB GLU 102 30.412 -14.732 -4.629 1.00 0.00 ATOM 690 CG GLU 102 29.642 -16.003 -4.473 1.00 0.00 ATOM 691 CD GLU 102 29.708 -16.492 -3.053 1.00 0.00 ATOM 692 OE1 GLU 102 30.836 -16.588 -2.514 1.00 0.00 ATOM 693 OE2 GLU 102 28.635 -16.763 -2.480 1.00 0.00 ATOM 694 O GLU 102 30.190 -11.901 -4.814 1.00 0.00 ATOM 695 C GLU 102 30.630 -12.560 -5.748 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_262325961.pdb -s /var/tmp/to_scwrl_262325961.seq -o /var/tmp/from_scwrl_262325961.pdb > /var/tmp/scwrl_262325961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_262325961.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 97 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -34.551 # GDT_score(maxd=8.000,maxw=2.900)= -34.765 # GDT_score(maxd=8.000,maxw=3.200)= -33.735 # GDT_score(maxd=8.000,maxw=3.500)= -32.689 # GDT_score(maxd=10.000,maxw=3.800)= -33.802 # GDT_score(maxd=10.000,maxw=4.000)= -33.072 # GDT_score(maxd=10.000,maxw=4.200)= -32.346 # GDT_score(maxd=12.000,maxw=4.300)= -33.759 # GDT_score(maxd=12.000,maxw=4.500)= -33.041 # GDT_score(maxd=12.000,maxw=4.700)= -32.338 # GDT_score(maxd=14.000,maxw=5.200)= -32.514 # GDT_score(maxd=14.000,maxw=5.500)= -31.370 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1120789707.pdb -s /var/tmp/to_scwrl_1120789707.seq -o /var/tmp/from_scwrl_1120789707.pdb > /var/tmp/scwrl_1120789707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120789707.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 92 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -44.663 # GDT_score(maxd=8.000,maxw=2.900)= -44.105 # GDT_score(maxd=8.000,maxw=3.200)= -43.447 # GDT_score(maxd=8.000,maxw=3.500)= -42.806 # GDT_score(maxd=10.000,maxw=3.800)= -44.128 # GDT_score(maxd=10.000,maxw=4.000)= -43.567 # GDT_score(maxd=10.000,maxw=4.200)= -42.916 # GDT_score(maxd=12.000,maxw=4.300)= -44.516 # GDT_score(maxd=12.000,maxw=4.500)= -43.852 # GDT_score(maxd=12.000,maxw=4.700)= -43.123 # GDT_score(maxd=14.000,maxw=5.200)= -43.391 # GDT_score(maxd=14.000,maxw=5.500)= -42.021 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1856341069.pdb -s /var/tmp/to_scwrl_1856341069.seq -o /var/tmp/from_scwrl_1856341069.pdb > /var/tmp/scwrl_1856341069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856341069.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 44 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -39.045 # GDT_score(maxd=8.000,maxw=2.900)= -38.418 # GDT_score(maxd=8.000,maxw=3.200)= -36.862 # GDT_score(maxd=8.000,maxw=3.500)= -35.387 # GDT_score(maxd=10.000,maxw=3.800)= -37.735 # GDT_score(maxd=10.000,maxw=4.000)= -36.752 # GDT_score(maxd=10.000,maxw=4.200)= -35.775 # GDT_score(maxd=12.000,maxw=4.300)= -38.978 # GDT_score(maxd=12.000,maxw=4.500)= -37.953 # GDT_score(maxd=12.000,maxw=4.700)= -36.921 # GDT_score(maxd=14.000,maxw=5.200)= -37.797 # GDT_score(maxd=14.000,maxw=5.500)= -36.275 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1511970250.pdb -s /var/tmp/to_scwrl_1511970250.seq -o /var/tmp/from_scwrl_1511970250.pdb > /var/tmp/scwrl_1511970250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1511970250.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 100 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -46.910 # GDT_score(maxd=8.000,maxw=2.900)= -46.998 # GDT_score(maxd=8.000,maxw=3.200)= -46.068 # GDT_score(maxd=8.000,maxw=3.500)= -45.203 # GDT_score(maxd=10.000,maxw=3.800)= -46.416 # GDT_score(maxd=10.000,maxw=4.000)= -45.768 # GDT_score(maxd=10.000,maxw=4.200)= -45.009 # GDT_score(maxd=12.000,maxw=4.300)= -46.498 # GDT_score(maxd=12.000,maxw=4.500)= -45.748 # GDT_score(maxd=12.000,maxw=4.700)= -45.016 # GDT_score(maxd=14.000,maxw=5.200)= -44.852 # GDT_score(maxd=14.000,maxw=5.500)= -43.425 # command:# request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_211749938.pdb -s /var/tmp/to_scwrl_211749938.seq -o /var/tmp/from_scwrl_211749938.pdb > /var/tmp/scwrl_211749938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211749938.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 T0300.try1-opt2.pdb looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -30.899 # GDT_score(maxd=8.000,maxw=2.900)= -29.440 # GDT_score(maxd=8.000,maxw=3.200)= -28.260 # GDT_score(maxd=8.000,maxw=3.500)= -27.282 # GDT_score(maxd=10.000,maxw=3.800)= -29.705 # GDT_score(maxd=10.000,maxw=4.000)= -28.995 # GDT_score(maxd=10.000,maxw=4.200)= -28.267 # GDT_score(maxd=12.000,maxw=4.300)= -30.822 # GDT_score(maxd=12.000,maxw=4.500)= -30.053 # GDT_score(maxd=12.000,maxw=4.700)= -29.348 # GDT_score(maxd=14.000,maxw=5.200)= -30.065 # GDT_score(maxd=14.000,maxw=5.500)= -29.104 # command:# Prefix for output files set to # command:EXPDTA T0300.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0300.try1-opt2.pdb ATOM 1 N MET A 1 27.507 2.293 -4.014 1.00 0.00 ATOM 2 CA MET A 1 26.229 1.578 -4.035 1.00 0.00 ATOM 3 CB MET A 1 26.574 0.162 -4.596 1.00 0.00 ATOM 4 CG MET A 1 26.707 -0.966 -3.663 1.00 0.00 ATOM 5 SD MET A 1 25.449 -2.176 -4.160 1.00 0.00 ATOM 6 CE MET A 1 25.629 -2.440 -5.954 1.00 0.00 ATOM 7 O MET A 1 26.318 1.835 -1.675 1.00 0.00 ATOM 8 C MET A 1 25.601 1.711 -2.667 1.00 0.00 ATOM 9 N ALA A 2 24.279 1.748 -2.605 1.00 0.00 ATOM 10 CA ALA A 2 23.554 1.934 -1.350 1.00 0.00 ATOM 11 CB ALA A 2 23.659 0.697 -0.474 1.00 0.00 ATOM 12 O ALA A 2 24.404 3.122 0.569 1.00 0.00 ATOM 13 C ALA A 2 24.068 3.173 -0.616 1.00 0.00 ATOM 14 N SER A 3 24.210 4.327 -1.483 1.00 0.00 ATOM 15 CA SER A 3 24.687 5.603 -0.957 1.00 0.00 ATOM 16 CB SER A 3 23.773 5.974 0.266 1.00 0.00 ATOM 17 OG SER A 3 24.132 5.179 1.385 1.00 0.00 ATOM 18 O SER A 3 26.731 6.733 -0.461 1.00 0.00 ATOM 19 C SER A 3 26.169 5.645 -0.603 1.00 0.00 ATOM 20 N LYS A 4 26.806 4.525 -0.421 1.00 0.00 ATOM 21 CA LYS A 4 28.214 4.498 -0.028 1.00 0.00 ATOM 22 CB LYS A 4 28.421 3.351 1.033 1.00 0.00 ATOM 23 CG LYS A 4 27.571 3.444 2.290 1.00 0.00 ATOM 24 CD LYS A 4 27.937 4.679 3.093 1.00 0.00 ATOM 25 CE LYS A 4 27.050 4.856 4.323 1.00 0.00 ATOM 26 NZ LYS A 4 25.634 5.171 3.976 1.00 0.00 ATOM 27 O LYS A 4 29.041 3.845 -2.182 1.00 0.00 ATOM 28 C LYS A 4 29.180 4.575 -1.206 1.00 0.00 ATOM 29 N LYS A 5 30.131 5.519 -1.152 1.00 0.00 ATOM 30 CA LYS A 5 31.116 5.687 -2.209 1.00 0.00 ATOM 31 CB LYS A 5 32.073 6.832 -1.872 1.00 0.00 ATOM 32 CG LYS A 5 33.115 7.107 -2.944 1.00 0.00 ATOM 33 CD LYS A 5 33.985 8.298 -2.576 1.00 0.00 ATOM 34 CE LYS A 5 35.058 8.542 -3.625 1.00 0.00 ATOM 35 NZ LYS A 5 35.933 9.692 -3.266 1.00 0.00 ATOM 36 O LYS A 5 32.091 3.930 -3.540 1.00 0.00 ATOM 37 C LYS A 5 31.968 4.412 -2.421 1.00 0.00 ATOM 38 N PRO A 6 32.557 3.880 -1.348 1.00 0.00 ATOM 39 CA PRO A 6 33.372 2.666 -1.422 1.00 0.00 ATOM 40 CB PRO A 6 33.845 2.449 0.017 1.00 0.00 ATOM 41 CG PRO A 6 33.868 3.816 0.613 1.00 0.00 ATOM 42 CD PRO A 6 32.674 4.536 0.050 1.00 0.00 ATOM 43 O PRO A 6 33.154 0.666 -2.723 1.00 0.00 ATOM 44 C PRO A 6 32.604 1.472 -1.970 1.00 0.00 ATOM 45 N ASP A 7 31.271 1.333 -1.582 1.00 0.00 ATOM 46 CA ASP A 7 30.423 0.253 -2.063 1.00 0.00 ATOM 47 CB ASP A 7 29.080 0.251 -1.311 1.00 0.00 ATOM 48 CG ASP A 7 29.221 -0.241 0.113 1.00 0.00 ATOM 49 OD1 ASP A 7 30.271 -0.750 0.542 1.00 0.00 ATOM 50 OD2 ASP A 7 28.197 -0.065 0.817 1.00 0.00 ATOM 51 O ASP A 7 30.249 -0.601 -4.308 1.00 0.00 ATOM 52 C ASP A 7 30.248 0.394 -3.575 1.00 0.00 ATOM 53 N LYS A 8 30.109 1.650 -4.035 1.00 0.00 ATOM 54 CA LYS A 8 29.946 1.924 -5.461 1.00 0.00 ATOM 55 CB LYS A 8 29.860 3.333 -5.776 1.00 0.00 ATOM 56 CG LYS A 8 28.458 3.795 -5.386 1.00 0.00 ATOM 57 CD LYS A 8 28.244 5.276 -5.607 1.00 0.00 ATOM 58 CE LYS A 8 26.838 5.648 -5.158 1.00 0.00 ATOM 59 NZ LYS A 8 26.607 7.126 -5.265 1.00 0.00 ATOM 60 O LYS A 8 31.133 0.997 -7.313 1.00 0.00 ATOM 61 C LYS A 8 31.205 1.517 -6.218 1.00 0.00 ATOM 62 N THR A 9 32.354 1.752 -5.602 1.00 0.00 ATOM 63 CA THR A 9 33.633 1.411 -6.212 1.00 0.00 ATOM 64 CB THR A 9 34.811 2.035 -5.440 1.00 0.00 ATOM 65 CG2 THR A 9 36.135 1.633 -6.073 1.00 0.00 ATOM 66 OG1 THR A 9 34.699 3.464 -5.466 1.00 0.00 ATOM 67 O THR A 9 34.287 -0.701 -7.156 1.00 0.00 ATOM 68 C THR A 9 33.787 -0.115 -6.205 1.00 0.00 ATOM 69 N TYR A 10 33.221 -0.776 -5.092 1.00 0.00 ATOM 70 CA TYR A 10 33.214 -2.233 -4.948 1.00 0.00 ATOM 71 CB TYR A 10 32.564 -2.638 -3.624 1.00 0.00 ATOM 72 CG TYR A 10 32.479 -4.134 -3.416 1.00 0.00 ATOM 73 CD1 TYR A 10 33.586 -4.856 -2.988 1.00 0.00 ATOM 74 CD2 TYR A 10 31.293 -4.817 -3.646 1.00 0.00 ATOM 75 CE1 TYR A 10 33.518 -6.223 -2.796 1.00 0.00 ATOM 76 CE2 TYR A 10 31.207 -6.185 -3.459 1.00 0.00 ATOM 77 CZ TYR A 10 32.332 -6.884 -3.029 1.00 0.00 ATOM 78 OH TYR A 10 32.262 -8.246 -2.839 1.00 0.00 ATOM 79 O TYR A 10 32.924 -3.831 -6.734 1.00 0.00 ATOM 80 C TYR A 10 32.435 -2.899 -6.092 1.00 0.00 ATOM 81 N GLU A 11 31.235 -2.404 -6.319 1.00 0.00 ATOM 82 CA GLU A 11 30.391 -2.941 -7.373 1.00 0.00 ATOM 83 CB GLU A 11 28.996 -2.328 -7.278 1.00 0.00 ATOM 84 CG GLU A 11 28.025 -2.825 -8.345 1.00 0.00 ATOM 85 CD GLU A 11 27.546 -4.234 -8.071 1.00 0.00 ATOM 86 OE1 GLU A 11 27.750 -4.774 -6.975 1.00 0.00 ATOM 87 OE2 GLU A 11 26.917 -4.792 -8.977 1.00 0.00 ATOM 88 O GLU A 11 31.031 -3.662 -9.585 1.00 0.00 ATOM 89 C GLU A 11 31.004 -2.741 -8.769 1.00 0.00 ATOM 90 N GLU A 12 31.520 -1.552 -9.042 1.00 0.00 ATOM 91 CA GLU A 12 32.121 -1.336 -10.339 1.00 0.00 ATOM 92 CB GLU A 12 32.645 0.096 -10.454 1.00 0.00 ATOM 93 CG GLU A 12 31.554 1.149 -10.566 1.00 0.00 ATOM 94 CD GLU A 12 32.104 2.562 -10.554 1.00 0.00 ATOM 95 OE1 GLU A 12 33.331 2.721 -10.384 1.00 0.00 ATOM 96 OE2 GLU A 12 31.308 3.511 -10.715 1.00 0.00 ATOM 97 O GLU A 12 33.505 -2.828 -11.641 1.00 0.00 ATOM 98 C GLU A 12 33.314 -2.295 -10.542 1.00 0.00 ATOM 99 N MET A 13 34.094 -2.504 -9.485 1.00 0.00 ATOM 100 CA MET A 13 35.255 -3.396 -9.609 1.00 0.00 ATOM 101 CB MET A 13 36.080 -3.470 -8.369 1.00 0.00 ATOM 102 CG MET A 13 36.874 -2.194 -8.125 1.00 0.00 ATOM 103 SD MET A 13 37.718 -1.605 -9.618 1.00 0.00 ATOM 104 CE MET A 13 38.716 -3.018 -10.012 1.00 0.00 ATOM 105 O MET A 13 35.398 -5.562 -10.678 1.00 0.00 ATOM 106 C MET A 13 34.800 -4.843 -9.861 1.00 0.00 ATOM 107 N VAL A 14 33.769 -5.294 -9.168 1.00 0.00 ATOM 108 CA VAL A 14 33.263 -6.645 -9.393 1.00 0.00 ATOM 109 CB VAL A 14 32.121 -7.035 -8.436 1.00 0.00 ATOM 110 CG1 VAL A 14 31.519 -8.371 -8.841 1.00 0.00 ATOM 111 CG2 VAL A 14 32.639 -7.152 -7.010 1.00 0.00 ATOM 112 O VAL A 14 32.956 -7.893 -11.414 1.00 0.00 ATOM 113 C VAL A 14 32.771 -6.823 -10.827 1.00 0.00 ATOM 114 N LYS A 15 32.156 -5.792 -11.371 1.00 0.00 ATOM 115 CA LYS A 15 31.678 -5.857 -12.758 1.00 0.00 ATOM 116 CB LYS A 15 30.903 -4.593 -13.136 1.00 0.00 ATOM 117 CG LYS A 15 29.549 -4.469 -12.456 1.00 0.00 ATOM 118 CD LYS A 15 28.832 -3.196 -12.880 1.00 0.00 ATOM 119 CE LYS A 15 27.494 -3.056 -12.175 1.00 0.00 ATOM 120 NZ LYS A 15 26.792 -1.801 -12.562 1.00 0.00 ATOM 121 O LYS A 15 32.734 -6.805 -14.698 1.00 0.00 ATOM 122 C LYS A 15 32.840 -6.049 -13.731 1.00 0.00 ATOM 123 N GLU A 16 33.950 -5.387 -13.456 1.00 0.00 ATOM 124 CA GLU A 16 35.124 -5.516 -14.308 1.00 0.00 ATOM 125 CB GLU A 16 36.202 -4.542 -13.921 1.00 0.00 ATOM 126 CG GLU A 16 37.405 -4.597 -14.856 1.00 0.00 ATOM 127 CD GLU A 16 37.077 -4.133 -16.264 1.00 0.00 ATOM 128 OE1 GLU A 16 36.282 -3.177 -16.428 1.00 0.00 ATOM 129 OE2 GLU A 16 37.651 -4.711 -17.207 1.00 0.00 ATOM 130 O GLU A 16 36.010 -7.582 -15.178 1.00 0.00 ATOM 131 C GLU A 16 35.646 -6.954 -14.185 1.00 0.00 ATOM 132 N VAL A 17 35.679 -7.486 -12.963 1.00 0.00 ATOM 133 CA VAL A 17 36.144 -8.865 -12.754 1.00 0.00 ATOM 134 CB VAL A 17 36.250 -9.168 -11.224 1.00 0.00 ATOM 135 CG1 VAL A 17 36.541 -10.628 -11.002 1.00 0.00 ATOM 136 CG2 VAL A 17 37.335 -8.290 -10.607 1.00 0.00 ATOM 137 O VAL A 17 35.669 -10.793 -14.099 1.00 0.00 ATOM 138 C VAL A 17 35.209 -9.838 -13.487 1.00 0.00 ATOM 139 N GLU A 18 33.905 -9.597 -13.408 1.00 0.00 ATOM 140 CA GLU A 18 32.926 -10.440 -14.091 1.00 0.00 ATOM 141 CB GLU A 18 31.518 -10.012 -13.758 1.00 0.00 ATOM 142 CG GLU A 18 30.441 -10.897 -14.360 1.00 0.00 ATOM 143 CD GLU A 18 29.035 -10.454 -13.986 1.00 0.00 ATOM 144 OE1 GLU A 18 28.620 -9.359 -14.421 1.00 0.00 ATOM 145 OE2 GLU A 18 28.344 -11.198 -13.254 1.00 0.00 ATOM 146 O GLU A 18 33.060 -11.377 -16.292 1.00 0.00 ATOM 147 C GLU A 18 33.050 -10.368 -15.613 1.00 0.00 ATOM 148 N ARG A 19 33.203 -9.158 -16.163 1.00 0.00 ATOM 149 CA ARG A 19 33.359 -8.999 -17.609 1.00 0.00 ATOM 150 CB ARG A 19 33.416 -7.574 -18.031 1.00 0.00 ATOM 151 CG ARG A 19 32.042 -6.926 -17.965 1.00 0.00 ATOM 152 CD ARG A 19 31.084 -7.384 -19.082 1.00 0.00 ATOM 153 NE ARG A 19 31.475 -6.775 -20.350 1.00 0.00 ATOM 154 CZ ARG A 19 31.113 -5.555 -20.729 1.00 0.00 ATOM 155 NH1 ARG A 19 30.349 -4.815 -19.935 1.00 0.00 ATOM 156 NH2 ARG A 19 31.533 -5.072 -21.894 1.00 0.00 ATOM 157 O ARG A 19 34.576 -10.394 -19.143 1.00 0.00 ATOM 158 C ARG A 19 34.596 -9.711 -18.110 1.00 0.00 ATOM 159 N LEU A 20 35.786 -9.564 -17.385 1.00 0.00 ATOM 160 CA LEU A 20 37.051 -10.185 -17.761 1.00 0.00 ATOM 161 CB LEU A 20 38.208 -9.387 -17.182 1.00 0.00 ATOM 162 CG LEU A 20 38.403 -7.982 -17.735 1.00 0.00 ATOM 163 CD1 LEU A 20 39.509 -7.281 -16.984 1.00 0.00 ATOM 164 CD2 LEU A 20 38.747 -8.011 -19.208 1.00 0.00 ATOM 165 O LEU A 20 38.108 -12.285 -17.641 1.00 0.00 ATOM 166 C LEU A 20 37.122 -11.631 -17.332 1.00 0.00 ATOM 167 N LYS A 21 36.139 -12.099 -16.563 1.00 0.00 ATOM 168 CA LYS A 21 36.153 -13.463 -16.016 1.00 0.00 ATOM 169 CB LYS A 21 35.306 -14.366 -17.161 1.00 0.00 ATOM 170 CG LYS A 21 34.074 -13.826 -17.834 1.00 0.00 ATOM 171 CD LYS A 21 33.723 -14.691 -19.032 1.00 0.00 ATOM 172 CE LYS A 21 32.493 -14.166 -19.727 1.00 0.00 ATOM 173 NZ LYS A 21 32.104 -15.013 -20.883 1.00 0.00 ATOM 174 O LYS A 21 38.202 -14.631 -15.615 1.00 0.00 ATOM 175 C LYS A 21 37.484 -13.683 -15.331 1.00 0.00 ATOM 176 N LEU A 22 37.856 -12.709 -14.483 1.00 0.00 ATOM 177 CA LEU A 22 39.174 -12.775 -13.856 1.00 0.00 ATOM 178 CB LEU A 22 39.457 -11.503 -13.055 1.00 0.00 ATOM 179 CG LEU A 22 40.804 -11.443 -12.332 1.00 0.00 ATOM 180 CD1 LEU A 22 41.952 -11.512 -13.326 1.00 0.00 ATOM 181 CD2 LEU A 22 40.934 -10.148 -11.543 1.00 0.00 ATOM 182 O LEU A 22 40.245 -14.680 -12.864 1.00 0.00 ATOM 183 C LEU A 22 39.255 -13.973 -12.909 1.00 0.00 ATOM 184 N GLU A 23 38.230 -14.168 -12.085 1.00 0.00 ATOM 185 CA GLU A 23 38.190 -15.279 -11.143 1.00 0.00 ATOM 186 CB GLU A 23 36.903 -15.236 -10.316 1.00 0.00 ATOM 187 CG GLU A 23 36.851 -14.098 -9.309 1.00 0.00 ATOM 188 CD GLU A 23 35.516 -14.011 -8.598 1.00 0.00 ATOM 189 OE1 GLU A 23 34.606 -14.793 -8.944 1.00 0.00 ATOM 190 OE2 GLU A 23 35.380 -13.161 -7.692 1.00 0.00 ATOM 191 O GLU A 23 38.880 -17.538 -11.439 1.00 0.00 ATOM 192 C GLU A 23 38.228 -16.610 -11.878 1.00 0.00 ATOM 193 N ASN A 24 37.478 -16.695 -12.968 1.00 0.00 ATOM 194 CA ASN A 24 37.459 -17.942 -13.724 1.00 0.00 ATOM 195 CB ASN A 24 36.488 -17.862 -14.904 1.00 0.00 ATOM 196 CG ASN A 24 35.037 -17.915 -14.466 1.00 0.00 ATOM 197 ND2 ASN A 24 34.143 -17.453 -15.333 1.00 0.00 ATOM 198 OD1 ASN A 24 34.726 -18.366 -13.364 1.00 0.00 ATOM 199 O ASN A 24 39.303 -19.412 -14.159 1.00 0.00 ATOM 200 C ASN A 24 38.847 -18.274 -14.261 1.00 0.00 ATOM 201 N LYS A 25 39.505 -17.283 -14.845 1.00 0.00 ATOM 202 CA LYS A 25 40.846 -17.477 -15.379 1.00 0.00 ATOM 203 CB LYS A 25 41.407 -16.311 -16.096 1.00 0.00 ATOM 204 CG LYS A 25 40.672 -16.031 -17.404 1.00 0.00 ATOM 205 CD LYS A 25 41.235 -14.783 -18.090 1.00 0.00 ATOM 206 CE LYS A 25 40.398 -14.382 -19.299 1.00 0.00 ATOM 207 NZ LYS A 25 40.317 -15.462 -20.316 1.00 0.00 ATOM 208 O LYS A 25 42.584 -18.879 -14.497 1.00 0.00 ATOM 209 C LYS A 25 41.836 -17.920 -14.304 1.00 0.00 ATOM 210 N THR A 26 41.821 -17.225 -13.168 1.00 0.00 ATOM 211 CA THR A 26 42.721 -17.539 -12.065 1.00 0.00 ATOM 212 CB THR A 26 42.709 -16.301 -11.079 1.00 0.00 ATOM 213 CG2 THR A 26 43.603 -16.528 -9.878 1.00 0.00 ATOM 214 OG1 THR A 26 43.222 -15.179 -11.793 1.00 0.00 ATOM 215 O THR A 26 43.315 -19.644 -11.084 1.00 0.00 ATOM 216 C THR A 26 42.405 -18.900 -11.443 1.00 0.00 ATOM 217 N LEU A 27 41.119 -19.225 -11.329 1.00 0.00 ATOM 218 CA LEU A 27 40.710 -20.516 -10.776 1.00 0.00 ATOM 219 CB LEU A 27 39.187 -20.594 -10.639 1.00 0.00 ATOM 220 CG LEU A 27 38.567 -19.794 -9.494 1.00 0.00 ATOM 221 CD1 LEU A 27 37.050 -19.841 -9.601 1.00 0.00 ATOM 222 CD2 LEU A 27 39.043 -20.348 -8.148 1.00 0.00 ATOM 223 O LEU A 27 41.672 -22.679 -11.165 1.00 0.00 ATOM 224 C LEU A 27 41.192 -21.663 -11.661 1.00 0.00 ATOM 225 N LYS A 28 41.081 -21.482 -12.973 1.00 0.00 ATOM 226 CA LYS A 28 41.511 -22.497 -13.927 1.00 0.00 ATOM 227 CB LYS A 28 41.130 -22.072 -15.350 1.00 0.00 ATOM 228 CG LYS A 28 41.286 -23.160 -16.399 1.00 0.00 ATOM 229 CD LYS A 28 40.726 -22.710 -17.742 1.00 0.00 ATOM 230 CE LYS A 28 40.868 -23.805 -18.788 1.00 0.00 ATOM 231 NZ LYS A 28 40.342 -23.389 -20.119 1.00 0.00 ATOM 232 O LYS A 28 43.495 -23.825 -13.730 1.00 0.00 ATOM 233 C LYS A 28 43.016 -22.694 -13.772 1.00 0.00 ATOM 234 N GLN A 29 43.752 -21.598 -13.688 1.00 0.00 ATOM 235 CA GLN A 29 45.201 -21.690 -13.543 1.00 0.00 ATOM 236 CB GLN A 29 45.840 -20.303 -13.642 1.00 0.00 ATOM 237 CG GLN A 29 45.765 -19.683 -15.028 1.00 0.00 ATOM 238 CD GLN A 29 46.307 -18.267 -15.063 1.00 0.00 ATOM 239 OE1 GLN A 29 46.652 -17.699 -14.026 1.00 0.00 ATOM 240 NE2 GLN A 29 46.383 -17.693 -16.257 1.00 0.00 ATOM 241 O GLN A 29 46.539 -23.051 -12.094 1.00 0.00 ATOM 242 C GLN A 29 45.559 -22.313 -12.205 1.00 0.00 ATOM 243 N LYS A 30 44.779 -21.990 -11.185 1.00 0.00 ATOM 244 CA LYS A 30 45.018 -22.548 -9.859 1.00 0.00 ATOM 245 CB LYS A 30 44.098 -21.919 -8.811 1.00 0.00 ATOM 246 CG LYS A 30 44.431 -20.474 -8.478 1.00 0.00 ATOM 247 CD LYS A 30 43.483 -19.916 -7.430 1.00 0.00 ATOM 248 CE LYS A 30 43.795 -18.461 -7.121 1.00 0.00 ATOM 249 NZ LYS A 30 42.859 -17.894 -6.111 1.00 0.00 ATOM 250 O LYS A 30 45.602 -24.806 -9.319 1.00 0.00 ATOM 251 C LYS A 30 44.814 -24.052 -9.891 1.00 0.00 ATOM 252 N VAL A 31 43.782 -24.482 -10.614 1.00 0.00 ATOM 253 CA VAL A 31 43.494 -25.903 -10.737 1.00 0.00 ATOM 254 CB VAL A 31 42.223 -26.184 -11.560 1.00 0.00 ATOM 255 CG1 VAL A 31 42.091 -27.685 -11.843 1.00 0.00 ATOM 256 CG2 VAL A 31 41.009 -25.700 -10.787 1.00 0.00 ATOM 257 O VAL A 31 45.146 -27.651 -10.961 1.00 0.00 ATOM 258 C VAL A 31 44.694 -26.595 -11.409 1.00 0.00 ATOM 259 N LYS A 32 45.226 -25.964 -12.456 1.00 0.00 ATOM 260 CA LYS A 32 46.406 -26.469 -13.164 1.00 0.00 ATOM 261 CB LYS A 32 46.720 -25.597 -14.383 1.00 0.00 ATOM 262 CG LYS A 32 45.683 -25.682 -15.489 1.00 0.00 ATOM 263 CD LYS A 32 46.059 -24.795 -16.666 1.00 0.00 ATOM 264 CE LYS A 32 45.008 -24.861 -17.764 1.00 0.00 ATOM 265 NZ LYS A 32 45.345 -23.972 -18.910 1.00 0.00 ATOM 266 O LYS A 32 48.345 -27.500 -12.195 1.00 0.00 ATOM 267 C LYS A 32 47.624 -26.506 -12.262 1.00 0.00 ATOM 268 N SER A 33 47.812 -25.447 -11.485 1.00 0.00 ATOM 269 CA SER A 33 48.935 -25.369 -10.562 1.00 0.00 ATOM 270 CB SER A 33 48.944 -24.019 -9.841 1.00 0.00 ATOM 271 OG SER A 33 49.206 -22.960 -10.745 1.00 0.00 ATOM 272 O SER A 33 49.834 -27.113 -9.179 1.00 0.00 ATOM 273 C SER A 33 48.841 -26.447 -9.496 1.00 0.00 ATOM 274 N SER A 34 47.663 -26.594 -8.904 1.00 0.00 ATOM 275 CA SER A 34 47.471 -27.585 -7.851 1.00 0.00 ATOM 276 CB SER A 34 46.127 -27.415 -7.193 1.00 0.00 ATOM 277 OG SER A 34 44.996 -27.591 -8.047 1.00 0.00 ATOM 278 O SER A 34 48.286 -29.840 -7.801 1.00 0.00 ATOM 279 C SER A 34 47.616 -29.003 -8.405 1.00 0.00 ATOM 280 N GLY A 35 46.963 -29.252 -9.514 1.00 0.00 ATOM 281 CA GLY A 35 47.069 -30.562 -10.129 1.00 0.00 ATOM 282 O GLY A 35 48.896 -32.051 -10.520 1.00 0.00 ATOM 283 C GLY A 35 48.513 -30.881 -10.468 1.00 0.00 ATOM 284 N ALA A 36 49.306 -29.840 -10.706 1.00 0.00 ATOM 285 CA ALA A 36 50.710 -30.022 -11.055 1.00 0.00 ATOM 286 CB ALA A 36 51.199 -29.073 -12.117 1.00 0.00 ATOM 287 O ALA A 36 52.808 -30.229 -9.927 1.00 0.00 ATOM 288 C ALA A 36 51.620 -29.896 -9.845 1.00 0.00 ATOM 289 N VAL A 37 51.129 -29.444 -8.620 1.00 0.00 ATOM 290 CA VAL A 37 51.889 -29.353 -7.381 1.00 0.00 ATOM 291 CB VAL A 37 51.107 -28.683 -6.260 1.00 0.00 ATOM 292 CG1 VAL A 37 49.827 -29.427 -5.909 1.00 0.00 ATOM 293 CG2 VAL A 37 51.946 -28.513 -4.999 1.00 0.00 ATOM 294 O VAL A 37 51.755 -31.747 -7.299 1.00 0.00 ATOM 295 C VAL A 37 52.386 -30.751 -6.968 1.00 0.00 ATOM 296 N SER A 38 53.569 -30.846 -6.383 1.00 0.00 ATOM 297 CA SER A 38 54.071 -32.166 -5.983 1.00 0.00 ATOM 298 CB SER A 38 55.544 -32.057 -5.497 1.00 0.00 ATOM 299 OG SER A 38 56.060 -33.332 -5.156 1.00 0.00 ATOM 300 O SER A 38 52.749 -32.266 -4.001 1.00 0.00 ATOM 301 C SER A 38 53.180 -32.883 -4.980 1.00 0.00 ATOM 302 N SER A 39 53.032 -34.213 -5.186 1.00 0.00 ATOM 303 CA SER A 39 52.330 -35.024 -4.195 1.00 0.00 ATOM 304 CB SER A 39 52.206 -36.468 -4.687 1.00 0.00 ATOM 305 OG SER A 39 53.464 -37.120 -4.680 1.00 0.00 ATOM 306 O SER A 39 52.442 -35.030 -1.794 1.00 0.00 ATOM 307 C SER A 39 53.059 -34.980 -2.855 1.00 0.00 ATOM 308 N ASP A 40 54.385 -34.900 -2.920 1.00 0.00 ATOM 309 CA ASP A 40 55.229 -34.840 -1.731 1.00 0.00 ATOM 310 CB ASP A 40 56.113 -36.085 -1.638 1.00 0.00 ATOM 311 CG ASP A 40 56.882 -36.158 -0.335 1.00 0.00 ATOM 312 OD1 ASP A 40 56.619 -35.324 0.558 1.00 0.00 ATOM 313 OD2 ASP A 40 57.748 -37.049 -0.204 1.00 0.00 ATOM 314 O ASP A 40 57.329 -33.699 -2.010 1.00 0.00 ATOM 315 C ASP A 40 56.124 -33.603 -1.797 1.00 0.00 ATOM 316 N ASP A 41 55.540 -32.420 -1.579 1.00 0.00 ATOM 317 CA ASP A 41 56.320 -31.183 -1.626 1.00 0.00 ATOM 318 CB ASP A 41 55.380 -29.987 -1.959 1.00 0.00 ATOM 319 CG ASP A 41 54.272 -29.857 -0.934 1.00 0.00 ATOM 320 OD1 ASP A 41 54.532 -29.362 0.185 1.00 0.00 ATOM 321 OD2 ASP A 41 53.143 -30.264 -1.263 1.00 0.00 ATOM 322 O ASP A 41 56.942 -31.461 0.663 1.00 0.00 ATOM 323 C ASP A 41 57.260 -31.034 -0.440 1.00 0.00 ATOM 324 N SER A 42 58.434 -30.317 -0.737 1.00 0.00 ATOM 325 CA SER A 42 59.350 -30.111 0.381 1.00 0.00 ATOM 326 CB SER A 42 60.708 -29.620 -0.124 1.00 0.00 ATOM 327 OG SER A 42 60.609 -28.315 -0.666 1.00 0.00 ATOM 328 O SER A 42 57.779 -28.379 0.906 1.00 0.00 ATOM 329 C SER A 42 58.711 -29.081 1.302 1.00 0.00 ATOM 330 N ILE A 43 59.184 -28.991 2.552 1.00 0.00 ATOM 331 CA ILE A 43 58.607 -28.002 3.462 1.00 0.00 ATOM 332 CB ILE A 43 59.325 -28.004 4.824 1.00 0.00 ATOM 333 CG1 ILE A 43 59.025 -29.296 5.584 1.00 0.00 ATOM 334 CG2 ILE A 43 58.864 -26.828 5.671 1.00 0.00 ATOM 335 CD1 ILE A 43 59.895 -29.504 6.805 1.00 0.00 ATOM 336 O ILE A 43 57.858 -25.771 2.949 1.00 0.00 ATOM 337 C ILE A 43 58.753 -26.608 2.840 1.00 0.00 ATOM 338 N LEU A 44 59.939 -26.325 2.154 1.00 0.00 ATOM 339 CA LEU A 44 60.165 -25.046 1.483 1.00 0.00 ATOM 340 CB LEU A 44 61.514 -25.052 0.761 1.00 0.00 ATOM 341 CG LEU A 44 62.759 -25.050 1.649 1.00 0.00 ATOM 342 CD1 LEU A 44 64.016 -25.240 0.815 1.00 0.00 ATOM 343 CD2 LEU A 44 62.882 -23.734 2.402 1.00 0.00 ATOM 344 O LEU A 44 58.528 -23.665 0.378 1.00 0.00 ATOM 345 C LEU A 44 59.063 -24.780 0.463 1.00 0.00 ATOM 346 N THR A 45 58.725 -25.783 -0.312 1.00 0.00 ATOM 347 CA THR A 45 57.680 -25.657 -1.326 1.00 0.00 ATOM 348 CB THR A 45 57.551 -26.942 -2.165 1.00 0.00 ATOM 349 CG2 THR A 45 56.439 -26.798 -3.191 1.00 0.00 ATOM 350 OG1 THR A 45 58.784 -27.196 -2.849 1.00 0.00 ATOM 351 O THR A 45 55.526 -24.591 -1.237 1.00 0.00 ATOM 352 C THR A 45 56.317 -25.372 -0.701 1.00 0.00 ATOM 353 N ALA A 46 56.037 -26.023 0.424 1.00 0.00 ATOM 354 CA ALA A 46 54.777 -25.829 1.125 1.00 0.00 ATOM 355 CB ALA A 46 54.693 -26.757 2.328 1.00 0.00 ATOM 356 O ALA A 46 53.636 -23.744 1.384 1.00 0.00 ATOM 357 C ALA A 46 54.672 -24.380 1.561 1.00 0.00 ATOM 358 N ALA A 47 55.768 -23.835 2.087 1.00 0.00 ATOM 359 CA ALA A 47 55.782 -22.448 2.536 1.00 0.00 ATOM 360 CB ALA A 47 57.115 -22.102 3.184 1.00 0.00 ATOM 361 O ALA A 47 54.800 -20.587 1.412 1.00 0.00 ATOM 362 C ALA A 47 55.561 -21.531 1.326 1.00 0.00 ATOM 363 N LYS A 48 56.282 -21.824 0.229 1.00 0.00 ATOM 364 CA LYS A 48 56.153 -21.003 -0.966 1.00 0.00 ATOM 365 CB LYS A 48 57.073 -21.535 -2.067 1.00 0.00 ATOM 366 CG LYS A 48 57.025 -20.730 -3.356 1.00 0.00 ATOM 367 CD LYS A 48 58.012 -21.269 -4.380 1.00 0.00 ATOM 368 CE LYS A 48 57.930 -20.496 -5.686 1.00 0.00 ATOM 369 NZ LYS A 48 58.874 -21.028 -6.706 1.00 0.00 ATOM 370 O LYS A 48 54.261 -19.898 -1.932 1.00 0.00 ATOM 371 C LYS A 48 54.748 -20.963 -1.553 1.00 0.00 ATOM 372 N ARG A 49 54.098 -22.108 -1.637 1.00 0.00 ATOM 373 CA ARG A 49 52.740 -22.168 -2.173 1.00 0.00 ATOM 374 CB ARG A 49 52.228 -23.592 -2.268 1.00 0.00 ATOM 375 CG ARG A 49 53.185 -24.525 -2.997 1.00 0.00 ATOM 376 CD ARG A 49 52.664 -24.945 -4.356 1.00 0.00 ATOM 377 NE ARG A 49 53.700 -25.594 -5.159 1.00 0.00 ATOM 378 CZ ARG A 49 53.492 -26.127 -6.360 1.00 0.00 ATOM 379 NH1 ARG A 49 52.282 -26.098 -6.901 1.00 0.00 ATOM 380 NH2 ARG A 49 54.500 -26.664 -7.033 1.00 0.00 ATOM 381 O ARG A 49 50.884 -20.677 -1.843 1.00 0.00 ATOM 382 C ARG A 49 51.758 -21.367 -1.322 1.00 0.00 ATOM 383 N GLU A 50 51.901 -21.474 -0.008 1.00 0.00 ATOM 384 CA GLU A 50 51.042 -20.745 0.914 1.00 0.00 ATOM 385 CB GLU A 50 51.379 -21.035 2.378 1.00 0.00 ATOM 386 CG GLU A 50 50.464 -20.344 3.375 1.00 0.00 ATOM 387 CD GLU A 50 50.809 -20.681 4.813 1.00 0.00 ATOM 388 OE1 GLU A 50 51.757 -21.465 5.028 1.00 0.00 ATOM 389 OE2 GLU A 50 50.131 -20.160 5.724 1.00 0.00 ATOM 390 O GLU A 50 50.205 -18.510 0.576 1.00 0.00 ATOM 391 C GLU A 50 51.193 -19.238 0.698 1.00 0.00 ATOM 392 N SER A 51 52.416 -18.766 0.572 1.00 0.00 ATOM 393 CA SER A 51 52.665 -17.359 0.287 1.00 0.00 ATOM 394 CB SER A 51 54.185 -17.088 0.512 1.00 0.00 ATOM 395 OG SER A 51 54.600 -17.247 1.879 1.00 0.00 ATOM 396 O SER A 51 51.785 -15.810 -1.307 1.00 0.00 ATOM 397 C SER A 51 52.185 -16.953 -1.097 1.00 0.00 ATOM 398 N ILE A 52 52.292 -17.867 -2.059 1.00 0.00 ATOM 399 CA ILE A 52 51.843 -17.581 -3.420 1.00 0.00 ATOM 400 CB ILE A 52 52.052 -18.792 -4.349 1.00 0.00 ATOM 401 CG1 ILE A 52 53.545 -19.046 -4.565 1.00 0.00 ATOM 402 CG2 ILE A 52 51.404 -18.542 -5.702 1.00 0.00 ATOM 403 CD1 ILE A 52 53.848 -20.366 -5.239 1.00 0.00 ATOM 404 O ILE A 52 49.893 -16.268 -3.934 1.00 0.00 ATOM 405 C ILE A 52 50.349 -17.251 -3.351 1.00 0.00 ATOM 406 N ILE A 53 49.610 -18.093 -2.672 1.00 0.00 ATOM 407 CA ILE A 53 48.167 -17.879 -2.532 1.00 0.00 ATOM 408 CB ILE A 53 47.511 -19.009 -1.719 1.00 0.00 ATOM 409 CG1 ILE A 53 47.561 -20.325 -2.496 1.00 0.00 ATOM 410 CG2 ILE A 53 46.055 -18.678 -1.424 1.00 0.00 ATOM 411 CD1 ILE A 53 47.182 -21.537 -1.674 1.00 0.00 ATOM 412 O ILE A 53 46.985 -15.824 -2.249 1.00 0.00 ATOM 413 C ILE A 53 47.870 -16.565 -1.829 1.00 0.00 ATOM 414 N VAL A 54 48.602 -16.271 -0.756 1.00 0.00 ATOM 415 CA VAL A 54 48.374 -15.020 -0.046 1.00 0.00 ATOM 416 CB VAL A 54 49.267 -14.910 1.204 1.00 0.00 ATOM 417 CG1 VAL A 54 49.155 -13.524 1.819 1.00 0.00 ATOM 418 CG2 VAL A 54 48.851 -15.935 2.248 1.00 0.00 ATOM 419 O VAL A 54 47.788 -12.951 -1.109 1.00 0.00 ATOM 420 C VAL A 54 48.639 -13.842 -0.981 1.00 0.00 ATOM 421 N SER A 55 49.803 -13.811 -1.610 1.00 0.00 ATOM 422 CA SER A 55 50.101 -12.671 -2.486 1.00 0.00 ATOM 423 CB SER A 55 51.503 -12.803 -3.084 1.00 0.00 ATOM 424 OG SER A 55 52.496 -12.726 -2.077 1.00 0.00 ATOM 425 O SER A 55 48.744 -11.499 -4.083 1.00 0.00 ATOM 426 C SER A 55 49.113 -12.589 -3.638 1.00 0.00 ATOM 427 N SER A 56 48.715 -13.759 -4.168 1.00 0.00 ATOM 428 CA SER A 56 47.754 -13.795 -5.270 1.00 0.00 ATOM 429 CB SER A 56 47.425 -15.247 -5.626 1.00 0.00 ATOM 430 OG SER A 56 48.553 -15.906 -6.171 1.00 0.00 ATOM 431 O SER A 56 45.867 -12.325 -5.586 1.00 0.00 ATOM 432 C SER A 56 46.458 -13.103 -4.834 1.00 0.00 ATOM 433 N SER A 57 46.041 -13.366 -3.602 1.00 0.00 ATOM 434 CA SER A 57 44.801 -12.802 -3.077 1.00 0.00 ATOM 435 CB SER A 57 44.461 -13.445 -1.727 1.00 0.00 ATOM 436 OG SER A 57 45.186 -12.944 -0.683 1.00 0.00 ATOM 437 O SER A 57 43.825 -10.630 -2.822 1.00 0.00 ATOM 438 C SER A 57 44.862 -11.292 -2.893 1.00 0.00 ATOM 439 N ARG A 58 46.068 -10.743 -2.808 1.00 0.00 ATOM 440 CA ARG A 58 46.201 -9.304 -2.629 1.00 0.00 ATOM 441 CB ARG A 58 47.687 -9.308 -1.679 1.00 0.00 ATOM 442 CG ARG A 58 48.683 -8.532 -2.526 1.00 0.00 ATOM 443 CD ARG A 58 50.117 -8.826 -2.103 1.00 0.00 ATOM 444 NE ARG A 58 50.275 -8.847 -0.650 1.00 0.00 ATOM 445 CZ ARG A 58 51.420 -9.109 -0.028 1.00 0.00 ATOM 446 NH1 ARG A 58 52.516 -9.371 -0.731 1.00 0.00 ATOM 447 NH2 ARG A 58 51.470 -9.124 1.296 1.00 0.00 ATOM 448 O ARG A 58 46.212 -7.323 -3.969 1.00 0.00 ATOM 449 C ARG A 58 46.356 -8.544 -3.939 1.00 0.00 ATOM 450 N ALA A 59 46.654 -9.262 -5.018 1.00 0.00 ATOM 451 CA ALA A 59 46.854 -8.617 -6.310 1.00 0.00 ATOM 452 CB ALA A 59 48.239 -8.896 -6.869 1.00 0.00 ATOM 453 O ALA A 59 45.860 -8.399 -8.466 1.00 0.00 ATOM 454 C ALA A 59 45.884 -9.030 -7.410 1.00 0.00 ATOM 455 N LEU A 60 45.095 -10.067 -7.214 1.00 0.00 ATOM 456 CA LEU A 60 44.140 -10.510 -8.231 1.00 0.00 ATOM 457 CB LEU A 60 43.378 -11.749 -7.791 1.00 0.00 ATOM 458 CG LEU A 60 42.310 -12.208 -8.794 1.00 0.00 ATOM 459 CD1 LEU A 60 42.952 -12.714 -10.073 1.00 0.00 ATOM 460 CD2 LEU A 60 41.436 -13.282 -8.158 1.00 0.00 ATOM 461 O LEU A 60 42.932 -9.060 -9.734 1.00 0.00 ATOM 462 C LEU A 60 43.127 -9.408 -8.567 1.00 0.00 ATOM 463 N GLY A 61 42.484 -8.874 -7.529 1.00 0.00 ATOM 464 CA GLY A 61 41.484 -7.832 -7.729 1.00 0.00 ATOM 465 O GLY A 61 43.346 -6.379 -8.176 1.00 0.00 ATOM 466 C GLY A 61 42.109 -6.501 -8.134 1.00 0.00 ATOM 467 N ALA A 62 40.167 -5.842 -8.220 1.00 0.00 ATOM 468 CA ALA A 62 40.114 -5.394 -6.832 1.00 0.00 ATOM 469 CB ALA A 62 39.882 -3.892 -6.767 1.00 0.00 ATOM 470 O ALA A 62 39.299 -6.412 -4.828 1.00 0.00 ATOM 471 C ALA A 62 39.030 -6.008 -5.959 1.00 0.00 ATOM 472 N VAL A 63 37.806 -6.060 -6.469 1.00 0.00 ATOM 473 CA VAL A 63 36.698 -6.623 -5.710 1.00 0.00 ATOM 474 CB VAL A 63 35.368 -6.459 -6.438 1.00 0.00 ATOM 475 CG1 VAL A 63 34.281 -7.280 -5.737 1.00 0.00 ATOM 476 CG2 VAL A 63 34.987 -4.987 -6.460 1.00 0.00 ATOM 477 O VAL A 63 36.767 -8.618 -4.369 1.00 0.00 ATOM 478 C VAL A 63 36.976 -8.101 -5.466 1.00 0.00 ATOM 479 N ALA A 64 37.511 -8.761 -6.486 1.00 0.00 ATOM 480 CA ALA A 64 37.832 -10.179 -6.405 1.00 0.00 ATOM 481 CB ALA A 64 38.277 -10.698 -7.763 1.00 0.00 ATOM 482 O ALA A 64 38.892 -11.381 -4.617 1.00 0.00 ATOM 483 C ALA A 64 38.951 -10.433 -5.406 1.00 0.00 ATOM 484 N MET A 65 39.970 -9.580 -5.451 1.00 0.00 ATOM 485 CA MET A 65 41.111 -9.708 -4.554 1.00 0.00 ATOM 486 CB MET A 65 41.830 -8.186 -4.594 1.00 0.00 ATOM 487 CG MET A 65 43.356 -8.045 -4.546 1.00 0.00 ATOM 488 SD MET A 65 43.897 -6.304 -4.461 1.00 0.00 ATOM 489 CE MET A 65 43.507 -5.974 -2.833 1.00 0.00 ATOM 490 O MET A 65 41.070 -10.330 -2.242 1.00 0.00 ATOM 491 C MET A 65 40.671 -9.552 -3.104 1.00 0.00 ATOM 492 N ARG A 66 39.872 -8.529 -2.825 1.00 0.00 ATOM 493 CA ARG A 66 39.411 -8.316 -1.460 1.00 0.00 ATOM 494 CB ARG A 66 38.031 -7.333 -1.600 1.00 0.00 ATOM 495 CG ARG A 66 37.710 -6.325 -0.485 1.00 0.00 ATOM 496 CD ARG A 66 36.515 -5.443 -0.816 1.00 0.00 ATOM 497 NE ARG A 66 36.836 -4.409 -1.798 1.00 0.00 ATOM 498 CZ ARG A 66 37.449 -3.259 -1.520 1.00 0.00 ATOM 499 NH1 ARG A 66 37.815 -2.978 -0.276 1.00 0.00 ATOM 500 NH2 ARG A 66 37.701 -2.388 -2.489 1.00 0.00 ATOM 501 O ARG A 66 38.758 -9.921 0.201 1.00 0.00 ATOM 502 C ARG A 66 38.607 -9.508 -0.950 1.00 0.00 ATOM 503 N LYS A 67 37.778 -10.066 -1.820 1.00 0.00 ATOM 504 CA LYS A 67 36.949 -11.216 -1.456 1.00 0.00 ATOM 505 CB LYS A 67 35.919 -11.479 -2.598 1.00 0.00 ATOM 506 CG LYS A 67 34.920 -12.584 -2.311 1.00 0.00 ATOM 507 CD LYS A 67 33.922 -12.718 -3.456 1.00 0.00 ATOM 508 CE LYS A 67 32.893 -13.794 -3.161 1.00 0.00 ATOM 509 NZ LYS A 67 32.062 -13.438 -1.968 1.00 0.00 ATOM 510 O LYS A 67 37.582 -13.087 -0.096 1.00 0.00 ATOM 511 C LYS A 67 37.800 -12.433 -1.119 1.00 0.00 ATOM 512 N ILE A 68 38.765 -12.745 -1.979 1.00 0.00 ATOM 513 CA ILE A 68 39.619 -13.897 -1.731 1.00 0.00 ATOM 514 CB ILE A 68 40.586 -14.145 -2.903 1.00 0.00 ATOM 515 CG1 ILE A 68 39.815 -14.591 -4.146 1.00 0.00 ATOM 516 CG2 ILE A 68 41.592 -15.228 -2.543 1.00 0.00 ATOM 517 CD1 ILE A 68 40.647 -14.601 -5.410 1.00 0.00 ATOM 518 O ILE A 68 40.710 -14.662 0.252 1.00 0.00 ATOM 519 C ILE A 68 40.447 -13.700 -0.464 1.00 0.00 ATOM 520 N GLU A 69 40.940 -12.483 -0.231 1.00 0.00 ATOM 521 CA GLU A 69 41.735 -12.232 0.968 1.00 0.00 ATOM 522 CB GLU A 69 42.155 -10.763 1.034 1.00 0.00 ATOM 523 CG GLU A 69 43.053 -10.427 2.212 1.00 0.00 ATOM 524 CD GLU A 69 43.496 -8.977 2.214 1.00 0.00 ATOM 525 OE1 GLU A 69 43.114 -8.239 1.281 1.00 0.00 ATOM 526 OE2 GLU A 69 44.224 -8.578 3.147 1.00 0.00 ATOM 527 O GLU A 69 41.448 -13.175 3.160 1.00 0.00 ATOM 528 C GLU A 69 40.928 -12.571 2.221 1.00 0.00 ATOM 529 N ALA A 70 39.657 -12.182 2.221 1.00 0.00 ATOM 530 CA ALA A 70 38.775 -12.450 3.349 1.00 0.00 ATOM 531 CB ALA A 70 37.398 -11.854 3.098 1.00 0.00 ATOM 532 O ALA A 70 38.728 -14.421 4.732 1.00 0.00 ATOM 533 C ALA A 70 38.659 -13.950 3.592 1.00 0.00 ATOM 534 N LYS A 71 38.462 -14.706 2.518 1.00 0.00 ATOM 535 CA LYS A 71 38.285 -16.146 2.622 1.00 0.00 ATOM 536 CB LYS A 71 37.756 -16.722 1.297 1.00 0.00 ATOM 537 CG LYS A 71 36.300 -16.321 1.056 1.00 0.00 ATOM 538 CD LYS A 71 35.780 -16.781 -0.298 1.00 0.00 ATOM 539 CE LYS A 71 34.356 -16.267 -0.507 1.00 0.00 ATOM 540 NZ LYS A 71 33.609 -17.007 -1.578 1.00 0.00 ATOM 541 O LYS A 71 39.581 -17.745 3.859 1.00 0.00 ATOM 542 C LYS A 71 39.592 -16.826 3.050 1.00 0.00 ATOM 543 N VAL A 72 40.706 -16.403 2.496 1.00 0.00 ATOM 544 CA VAL A 72 41.975 -16.987 2.865 1.00 0.00 ATOM 545 CB VAL A 72 43.128 -16.371 2.051 1.00 0.00 ATOM 546 CG1 VAL A 72 44.471 -16.854 2.581 1.00 0.00 ATOM 547 CG2 VAL A 72 43.018 -16.768 0.586 1.00 0.00 ATOM 548 O VAL A 72 42.862 -17.613 5.002 1.00 0.00 ATOM 549 C VAL A 72 42.269 -16.758 4.344 1.00 0.00 ATOM 550 N ARG A 73 41.882 -15.593 4.854 1.00 0.00 ATOM 551 CA ARG A 73 42.127 -15.261 6.252 1.00 0.00 ATOM 552 CB ARG A 73 41.902 -13.718 6.415 1.00 0.00 ATOM 553 CG ARG A 73 42.874 -12.871 5.771 1.00 0.00 ATOM 554 CD ARG A 73 44.184 -12.700 6.558 1.00 0.00 ATOM 555 NE ARG A 73 45.295 -12.072 5.794 1.00 0.00 ATOM 556 CZ ARG A 73 46.136 -12.717 4.987 1.00 0.00 ATOM 557 NH1 ARG A 73 46.044 -14.029 4.801 1.00 0.00 ATOM 558 NH2 ARG A 73 47.091 -12.047 4.357 1.00 0.00 ATOM 559 O ARG A 73 41.835 -16.701 8.155 1.00 0.00 ATOM 560 C ARG A 73 41.327 -16.203 7.142 1.00 0.00 ATOM 561 N SER A 74 40.082 -16.530 6.757 1.00 0.00 ATOM 562 CA SER A 74 39.255 -17.456 7.523 1.00 0.00 ATOM 563 CB SER A 74 37.803 -17.489 7.045 1.00 0.00 ATOM 564 OG SER A 74 37.703 -18.067 5.756 1.00 0.00 ATOM 565 O SER A 74 39.849 -19.557 8.509 1.00 0.00 ATOM 566 C SER A 74 39.836 -18.862 7.494 1.00 0.00 ATOM 567 N ARG A 75 40.397 -19.242 6.352 1.00 0.00 ATOM 568 CA ARG A 75 41.010 -20.552 6.201 1.00 0.00 ATOM 569 CB ARG A 75 40.041 -21.492 5.480 1.00 0.00 ATOM 570 CG ARG A 75 40.524 -22.930 5.390 1.00 0.00 ATOM 571 CD ARG A 75 39.490 -23.818 4.719 1.00 0.00 ATOM 572 NE ARG A 75 39.975 -25.183 4.534 1.00 0.00 ATOM 573 CZ ARG A 75 39.285 -26.149 3.936 1.00 0.00 ATOM 574 NH1 ARG A 75 39.810 -27.361 3.814 1.00 0.00 ATOM 575 NH2 ARG A 75 38.073 -25.899 3.461 1.00 0.00 ATOM 576 O ARG A 75 42.250 -20.377 4.150 1.00 0.00 ATOM 577 C ARG A 75 42.287 -20.430 5.382 1.00 0.00 ATOM 578 N ALA A 76 43.409 -20.340 6.087 1.00 0.00 ATOM 579 CA ALA A 76 44.719 -20.211 5.465 1.00 0.00 ATOM 580 CB ALA A 76 45.803 -20.099 6.527 1.00 0.00 ATOM 581 O ALA A 76 44.519 -22.524 4.817 1.00 0.00 ATOM 582 C ALA A 76 44.991 -21.416 4.575 1.00 0.00 ATOM 583 N ALA A 77 45.776 -21.226 3.533 1.00 0.00 ATOM 584 CA ALA A 77 46.153 -22.310 2.628 1.00 0.00 ATOM 585 CB ALA A 77 46.919 -21.775 1.404 1.00 0.00 ATOM 586 O ALA A 77 47.680 -23.235 4.236 1.00 0.00 ATOM 587 C ALA A 77 46.823 -23.449 3.385 1.00 0.00 ATOM 588 N LYS A 78 46.467 -24.762 3.059 1.00 0.00 ATOM 589 CA LYS A 78 47.081 -25.924 3.677 1.00 0.00 ATOM 590 CB LYS A 78 45.973 -26.819 4.344 1.00 0.00 ATOM 591 CG LYS A 78 44.909 -26.079 5.167 1.00 0.00 ATOM 592 CD LYS A 78 45.508 -25.350 6.347 1.00 0.00 ATOM 593 CE LYS A 78 44.419 -24.621 7.135 1.00 0.00 ATOM 594 NZ LYS A 78 44.985 -23.880 8.286 1.00 0.00 ATOM 595 O LYS A 78 47.637 -27.119 1.678 1.00 0.00 ATOM 596 C LYS A 78 48.037 -26.410 2.595 1.00 0.00 ATOM 597 N ALA A 79 49.300 -26.020 2.705 1.00 0.00 ATOM 598 CA ALA A 79 50.289 -26.393 1.712 1.00 0.00 ATOM 599 CB ALA A 79 51.243 -25.234 1.467 1.00 0.00 ATOM 600 O ALA A 79 52.231 -27.784 1.549 1.00 0.00 ATOM 601 C ALA A 79 51.151 -27.587 2.107 1.00 0.00 ATOM 602 N VAL A 80 50.668 -28.388 3.053 1.00 0.00 ATOM 603 CA VAL A 80 51.423 -29.551 3.518 1.00 0.00 ATOM 604 CB VAL A 80 50.592 -30.301 4.648 1.00 0.00 ATOM 605 CG1 VAL A 80 51.322 -31.555 5.091 1.00 0.00 ATOM 606 CG2 VAL A 80 50.359 -29.397 5.842 1.00 0.00 ATOM 607 O VAL A 80 52.845 -31.027 2.279 1.00 0.00 ATOM 608 C VAL A 80 51.718 -30.554 2.401 1.00 0.00 ATOM 609 N THR A 81 50.722 -30.844 1.566 1.00 0.00 ATOM 610 CA THR A 81 50.904 -31.785 0.464 1.00 0.00 ATOM 611 CB THR A 81 50.399 -33.186 0.858 1.00 0.00 ATOM 612 CG2 THR A 81 51.081 -33.657 2.133 1.00 0.00 ATOM 613 OG1 THR A 81 48.984 -33.143 1.076 1.00 0.00 ATOM 614 O THR A 81 49.323 -30.424 -0.731 1.00 0.00 ATOM 615 C THR A 81 50.168 -31.320 -0.786 1.00 0.00 ATOM 616 N GLU A 82 50.464 -31.970 -1.908 1.00 0.00 ATOM 617 CA GLU A 82 49.723 -31.767 -3.141 1.00 0.00 ATOM 618 CB GLU A 82 50.218 -32.644 -4.258 1.00 0.00 ATOM 619 CG GLU A 82 49.386 -32.502 -5.506 1.00 0.00 ATOM 620 CD GLU A 82 49.671 -33.583 -6.517 1.00 0.00 ATOM 621 OE1 GLU A 82 50.269 -34.619 -6.128 1.00 0.00 ATOM 622 OE2 GLU A 82 49.282 -33.408 -7.695 1.00 0.00 ATOM 623 O GLU A 82 47.398 -31.154 -3.350 1.00 0.00 ATOM 624 C GLU A 82 48.224 -31.969 -2.925 1.00 0.00 ATOM 625 N GLN A 83 47.874 -33.055 -2.247 1.00 0.00 ATOM 626 CA GLN A 83 46.471 -33.339 -1.990 1.00 0.00 ATOM 627 CB GLN A 83 46.268 -34.647 -1.310 1.00 0.00 ATOM 628 CG GLN A 83 46.653 -35.819 -2.199 1.00 0.00 ATOM 629 CD GLN A 83 46.476 -37.160 -1.520 1.00 0.00 ATOM 630 OE1 GLN A 83 47.109 -37.443 -0.504 1.00 0.00 ATOM 631 NE2 GLN A 83 45.611 -37.996 -2.082 1.00 0.00 ATOM 632 O GLN A 83 44.723 -31.834 -1.360 1.00 0.00 ATOM 633 C GLN A 83 45.821 -32.312 -1.074 1.00 0.00 ATOM 634 N GLU A 84 46.492 -31.947 0.013 1.00 0.00 ATOM 635 CA GLU A 84 45.906 -30.981 0.936 1.00 0.00 ATOM 636 CB GLU A 84 46.814 -30.779 2.151 1.00 0.00 ATOM 637 CG GLU A 84 46.859 -31.969 3.096 1.00 0.00 ATOM 638 CD GLU A 84 45.491 -32.326 3.647 1.00 0.00 ATOM 639 OE1 GLU A 84 44.813 -31.424 4.182 1.00 0.00 ATOM 640 OE2 GLU A 84 45.099 -33.507 3.541 1.00 0.00 ATOM 641 O GLU A 84 44.656 -29.005 0.403 1.00 0.00 ATOM 642 C GLU A 84 45.701 -29.634 0.257 1.00 0.00 ATOM 643 N LEU A 85 46.709 -29.197 -0.504 1.00 0.00 ATOM 644 CA LEU A 85 46.631 -27.922 -1.208 1.00 0.00 ATOM 645 CB LEU A 85 47.973 -27.596 -1.867 1.00 0.00 ATOM 646 CG LEU A 85 48.059 -26.255 -2.600 1.00 0.00 ATOM 647 CD1 LEU A 85 47.808 -25.101 -1.641 1.00 0.00 ATOM 648 CD2 LEU A 85 49.438 -26.068 -3.216 1.00 0.00 ATOM 649 O LEU A 85 44.816 -26.927 -2.428 1.00 0.00 ATOM 650 C LEU A 85 45.565 -27.904 -2.295 1.00 0.00 ATOM 651 N THR A 86 45.529 -28.958 -3.105 1.00 0.00 ATOM 652 CA THR A 86 44.544 -29.057 -4.180 1.00 0.00 ATOM 653 CB THR A 86 44.709 -30.365 -4.977 1.00 0.00 ATOM 654 CG2 THR A 86 43.652 -30.461 -6.067 1.00 0.00 ATOM 655 OG1 THR A 86 46.006 -30.397 -5.585 1.00 0.00 ATOM 656 O THR A 86 42.238 -28.390 -4.161 1.00 0.00 ATOM 657 C THR A 86 43.135 -29.026 -3.607 1.00 0.00 ATOM 658 N SER A 87 42.940 -29.753 -2.456 1.00 0.00 ATOM 659 CA SER A 87 41.639 -29.732 -1.810 1.00 0.00 ATOM 660 CB SER A 87 41.611 -30.704 -0.629 1.00 0.00 ATOM 661 OG SER A 87 41.738 -32.044 -1.068 1.00 0.00 ATOM 662 O SER A 87 40.216 -27.855 -1.419 1.00 0.00 ATOM 663 C SER A 87 41.341 -28.330 -1.300 1.00 0.00 ATOM 664 N LEU A 88 42.339 -27.681 -0.724 1.00 0.00 ATOM 665 CA LEU A 88 42.149 -26.326 -0.218 1.00 0.00 ATOM 666 CB LEU A 88 43.452 -25.799 0.406 1.00 0.00 ATOM 667 CG LEU A 88 43.084 -24.330 0.680 1.00 0.00 ATOM 668 CD1 LEU A 88 42.704 -24.109 2.098 1.00 0.00 ATOM 669 CD2 LEU A 88 44.093 -23.402 0.090 1.00 0.00 ATOM 670 O LEU A 88 40.752 -24.646 -1.236 1.00 0.00 ATOM 671 C LEU A 88 41.707 -25.417 -1.367 1.00 0.00 ATOM 672 N LEU A 89 42.399 -25.522 -2.496 1.00 0.00 ATOM 673 CA LEU A 89 42.086 -24.696 -3.658 1.00 0.00 ATOM 674 CB LEU A 89 43.100 -24.940 -4.778 1.00 0.00 ATOM 675 CG LEU A 89 42.919 -24.111 -6.050 1.00 0.00 ATOM 676 CD1 LEU A 89 43.028 -22.625 -5.743 1.00 0.00 ATOM 677 CD2 LEU A 89 43.981 -24.464 -7.079 1.00 0.00 ATOM 678 O LEU A 89 39.966 -24.098 -4.600 1.00 0.00 ATOM 679 C LEU A 89 40.681 -25.003 -4.178 1.00 0.00 ATOM 680 N GLN A 90 40.336 -26.279 -4.237 1.00 0.00 ATOM 681 CA GLN A 90 39.001 -26.656 -4.691 1.00 0.00 ATOM 682 CB GLN A 90 38.843 -28.195 -4.676 1.00 0.00 ATOM 683 CG GLN A 90 39.336 -28.966 -5.834 1.00 0.00 ATOM 684 CD GLN A 90 38.994 -30.428 -5.652 1.00 0.00 ATOM 685 OE1 GLN A 90 39.513 -31.079 -4.755 1.00 0.00 ATOM 686 NE2 GLN A 90 38.065 -30.931 -6.452 1.00 0.00 ATOM 687 O GLN A 90 36.940 -25.466 -4.330 1.00 0.00 ATOM 688 C GLN A 90 37.942 -25.991 -3.816 1.00 0.00 ATOM 689 N SER A 91 38.183 -25.999 -2.510 1.00 0.00 ATOM 690 CA SER A 91 37.249 -25.393 -1.570 1.00 0.00 ATOM 691 CB SER A 91 37.713 -25.743 -0.129 1.00 0.00 ATOM 692 OG SER A 91 36.921 -25.091 0.836 1.00 0.00 ATOM 693 O SER A 91 36.035 -23.330 -1.740 1.00 0.00 ATOM 694 C SER A 91 37.134 -23.888 -1.792 1.00 0.00 ATOM 695 N LEU A 92 38.262 -23.241 -2.074 1.00 0.00 ATOM 696 CA LEU A 92 38.268 -21.801 -2.302 1.00 0.00 ATOM 697 CB LEU A 92 39.697 -21.298 -2.515 1.00 0.00 ATOM 698 CG LEU A 92 39.854 -19.801 -2.793 1.00 0.00 ATOM 699 CD1 LEU A 92 39.347 -18.981 -1.616 1.00 0.00 ATOM 700 CD2 LEU A 92 41.314 -19.449 -3.024 1.00 0.00 ATOM 701 O LEU A 92 36.641 -20.553 -3.566 1.00 0.00 ATOM 702 C LEU A 92 37.461 -21.474 -3.561 1.00 0.00 ATOM 703 N THR A 93 37.694 -22.221 -4.625 1.00 0.00 ATOM 704 CA THR A 93 36.973 -22.000 -5.875 1.00 0.00 ATOM 705 CB THR A 93 37.075 -23.397 -6.770 1.00 0.00 ATOM 706 CG2 THR A 93 36.950 -23.174 -8.303 1.00 0.00 ATOM 707 OG1 THR A 93 38.318 -24.093 -6.593 1.00 0.00 ATOM 708 O THR A 93 34.626 -21.520 -6.181 1.00 0.00 ATOM 709 C THR A 93 35.479 -22.231 -5.630 1.00 0.00 ATOM 710 N LEU A 94 35.160 -23.263 -4.844 1.00 0.00 ATOM 711 CA LEU A 94 33.765 -23.558 -4.537 1.00 0.00 ATOM 712 CB LEU A 94 33.650 -24.819 -3.679 1.00 0.00 ATOM 713 CG LEU A 94 34.037 -26.136 -4.356 1.00 0.00 ATOM 714 CD1 LEU A 94 34.036 -27.277 -3.351 1.00 0.00 ATOM 715 CD2 LEU A 94 33.054 -26.479 -5.466 1.00 0.00 ATOM 716 O LEU A 94 31.934 -22.085 -4.095 1.00 0.00 ATOM 717 C LEU A 94 33.095 -22.390 -3.822 1.00 0.00 ATOM 718 N ARG A 95 33.783 -21.661 -2.854 1.00 0.00 ATOM 719 CA ARG A 95 33.195 -20.518 -2.145 1.00 0.00 ATOM 720 CB ARG A 95 34.167 -19.929 -1.120 1.00 0.00 ATOM 721 CG ARG A 95 34.424 -20.828 0.078 1.00 0.00 ATOM 722 CD ARG A 95 35.454 -20.218 1.015 1.00 0.00 ATOM 723 NE ARG A 95 35.717 -21.073 2.171 1.00 0.00 ATOM 724 CZ ARG A 95 36.631 -20.812 3.099 1.00 0.00 ATOM 725 NH1 ARG A 95 36.800 -21.647 4.116 1.00 0.00 ATOM 726 NH2 ARG A 95 37.373 -19.716 3.011 1.00 0.00 ATOM 727 O ARG A 95 31.755 -18.835 -3.068 1.00 0.00 ATOM 728 C ARG A 95 32.816 -19.450 -3.163 1.00 0.00 ATOM 729 N VAL A 96 33.712 -19.227 -4.209 1.00 0.00 ATOM 730 CA VAL A 96 33.468 -18.241 -5.253 1.00 0.00 ATOM 731 CB VAL A 96 34.698 -18.066 -6.162 1.00 0.00 ATOM 732 CG1 VAL A 96 34.361 -17.179 -7.350 1.00 0.00 ATOM 733 CG2 VAL A 96 35.843 -17.422 -5.392 1.00 0.00 ATOM 734 O VAL A 96 31.466 -17.898 -6.525 1.00 0.00 ATOM 735 C VAL A 96 32.291 -18.709 -6.103 1.00 0.00 ATOM 736 N ASP A 97 32.238 -20.006 -6.401 1.00 0.00 ATOM 737 CA ASP A 97 31.128 -20.548 -7.180 1.00 0.00 ATOM 738 CB ASP A 97 31.269 -22.064 -7.329 1.00 0.00 ATOM 739 CG ASP A 97 32.382 -22.454 -8.282 1.00 0.00 ATOM 740 OD1 ASP A 97 32.883 -21.568 -9.005 1.00 0.00 ATOM 741 OD2 ASP A 97 32.752 -23.647 -8.307 1.00 0.00 ATOM 742 O ASP A 97 28.843 -19.791 -7.066 1.00 0.00 ATOM 743 C ASP A 97 29.803 -20.262 -6.459 1.00 0.00 ATOM 744 N VAL A 98 29.772 -20.535 -5.170 1.00 0.00 ATOM 745 CA VAL A 98 28.570 -20.291 -4.373 1.00 0.00 ATOM 746 CB VAL A 98 28.748 -20.779 -2.922 1.00 0.00 ATOM 747 CG1 VAL A 98 27.565 -20.350 -2.068 1.00 0.00 ATOM 748 CG2 VAL A 98 28.848 -22.296 -2.879 1.00 0.00 ATOM 749 O VAL A 98 27.064 -18.423 -4.442 1.00 0.00 ATOM 750 C VAL A 98 28.223 -18.807 -4.320 1.00 0.00 ATOM 751 N SER A 99 29.293 -17.922 -4.167 1.00 0.00 ATOM 752 CA SER A 99 29.119 -16.479 -4.137 1.00 0.00 ATOM 753 CB SER A 99 30.473 -15.794 -3.873 1.00 0.00 ATOM 754 OG SER A 99 30.978 -16.177 -2.600 1.00 0.00 ATOM 755 O SER A 99 27.671 -15.081 -5.453 1.00 0.00 ATOM 756 C SER A 99 28.541 -15.952 -5.451 1.00 0.00 ATOM 757 N MET A 100 29.010 -16.496 -6.561 1.00 0.00 ATOM 758 CA MET A 100 28.502 -16.054 -7.853 1.00 0.00 ATOM 759 CB MET A 100 29.309 -16.685 -8.997 1.00 0.00 ATOM 760 CG MET A 100 30.738 -16.167 -9.131 1.00 0.00 ATOM 761 SD MET A 100 30.851 -14.282 -9.473 1.00 0.00 ATOM 762 CE MET A 100 30.988 -13.661 -7.654 1.00 0.00 ATOM 763 O MET A 100 26.193 -15.664 -8.475 1.00 0.00 ATOM 764 C MET A 100 27.020 -16.452 -7.999 1.00 0.00 ATOM 765 N GLU A 101 26.708 -17.649 -7.576 1.00 0.00 ATOM 766 CA GLU A 101 25.329 -18.125 -7.631 1.00 0.00 ATOM 767 CB GLU A 101 25.250 -19.609 -7.262 1.00 0.00 ATOM 768 CG GLU A 101 25.690 -20.562 -8.397 1.00 0.00 ATOM 769 CD GLU A 101 24.921 -20.333 -9.702 1.00 0.00 ATOM 770 OE1 GLU A 101 23.677 -20.193 -9.657 1.00 0.00 ATOM 771 OE2 GLU A 101 25.551 -20.305 -10.786 1.00 0.00 ATOM 772 O GLU A 101 23.334 -16.891 -7.118 1.00 0.00 ATOM 773 C GLU A 101 24.439 -17.277 -6.729 1.00 0.00 ATOM 774 N GLU A 102 24.935 -16.911 -5.555 1.00 0.00 ATOM 775 CA GLU A 102 24.201 -16.095 -4.608 1.00 0.00 ATOM 776 CB GLU A 102 24.312 -16.724 -3.201 1.00 0.00 ATOM 777 CG GLU A 102 23.588 -18.053 -3.052 1.00 0.00 ATOM 778 CD GLU A 102 22.122 -17.962 -3.429 1.00 0.00 ATOM 779 OE1 GLU A 102 21.471 -16.964 -3.059 1.00 0.00 ATOM 780 OE2 GLU A 102 21.613 -18.897 -4.086 1.00 0.00 ATOM 781 O GLU A 102 25.957 -14.470 -4.878 1.00 0.00 ATOM 782 C GLU A 102 24.801 -14.702 -4.568 1.00 0.00 ENDMDL EXPDTA 2h3rA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h3rA ATOM 1 N ASP 7 35.692 2.031 -10.512 1.00 0.00 ATOM 2 CA ASP 7 35.341 1.251 -9.337 1.00 0.00 ATOM 3 CB ASP 7 35.229 -0.210 -9.680 1.00 0.00 ATOM 4 CG ASP 7 34.996 -0.439 -11.145 1.00 0.00 ATOM 5 OD1 ASP 7 34.596 0.525 -11.853 1.00 0.00 ATOM 6 OD2 ASP 7 35.175 -1.548 -11.663 1.00 0.00 ATOM 7 O ASP 7 37.217 2.234 -8.308 1.00 0.00 ATOM 8 C ASP 7 36.352 1.392 -8.249 1.00 0.00 ATOM 9 N LYS 8 36.215 0.610 -7.186 1.00 0.00 ATOM 10 CA LYS 8 37.124 0.788 -6.058 1.00 0.00 ATOM 11 CB LYS 8 36.474 1.766 -5.083 1.00 0.00 ATOM 12 CG LYS 8 35.227 2.447 -5.678 1.00 0.00 ATOM 13 CD LYS 8 34.264 2.931 -4.592 1.00 0.00 ATOM 14 CE LYS 8 32.956 3.436 -5.177 1.00 0.00 ATOM 15 NZ LYS 8 31.901 3.516 -4.129 1.00 0.00 ATOM 16 O LYS 8 38.604 -0.967 -5.351 1.00 0.00 ATOM 17 C LYS 8 37.457 -0.496 -5.329 1.00 0.00 ATOM 18 N THR 9 36.447 -1.038 -4.655 1.00 0.00 ATOM 19 CA THR 9 36.597 -2.278 -3.905 1.00 0.00 ATOM 20 CB THR 9 35.225 -2.893 -3.573 1.00 0.00 ATOM 21 CG2 THR 9 34.859 -3.944 -4.619 1.00 0.00 ATOM 22 OG1 THR 9 35.264 -3.499 -2.273 1.00 0.00 ATOM 23 O THR 9 37.240 -3.194 -6.030 1.00 0.00 ATOM 24 C THR 9 37.363 -3.250 -4.797 1.00 0.00 ATOM 25 N TYR 10 38.156 -4.123 -4.179 1.00 0.00 ATOM 26 CA TYR 10 38.924 -5.108 -4.930 1.00 0.00 ATOM 27 CB TYR 10 39.757 -5.984 -3.998 1.00 0.00 ATOM 28 CG TYR 10 41.233 -5.794 -4.184 1.00 0.00 ATOM 29 CD1 TYR 10 41.897 -4.758 -3.551 1.00 0.00 ATOM 30 CD2 TYR 10 41.956 -6.628 -5.005 1.00 0.00 ATOM 31 CE1 TYR 10 43.239 -4.562 -3.728 1.00 0.00 ATOM 32 CE2 TYR 10 43.296 -6.440 -5.188 1.00 0.00 ATOM 33 CZ TYR 10 43.936 -5.405 -4.547 1.00 0.00 ATOM 34 OH TYR 10 45.287 -5.214 -4.710 1.00 0.00 ATOM 35 O TYR 10 38.270 -6.396 -6.827 1.00 0.00 ATOM 36 C TYR 10 37.985 -6.002 -5.704 1.00 0.00 ATOM 37 N GLU 11 36.860 -6.321 -5.083 1.00 0.00 ATOM 38 CA GLU 11 35.855 -7.175 -5.714 1.00 0.00 ATOM 39 CB GLU 11 34.598 -7.272 -4.848 1.00 0.00 ATOM 40 CG GLU 11 34.679 -8.263 -3.698 1.00 0.00 ATOM 41 CD GLU 11 33.306 -8.593 -3.150 1.00 0.00 ATOM 42 OE1 GLU 11 32.490 -9.127 -3.922 1.00 0.00 ATOM 43 OE2 GLU 11 33.032 -8.322 -1.964 1.00 0.00 ATOM 44 O GLU 11 35.723 -7.318 -8.089 1.00 0.00 ATOM 45 C GLU 11 35.470 -6.658 -7.084 1.00 0.00 ATOM 46 N GLU 12 34.857 -5.474 -7.106 1.00 0.00 ATOM 47 CA GLU 12 34.407 -4.810 -8.335 1.00 0.00 ATOM 48 CB GLU 12 34.039 -3.363 -8.044 1.00 0.00 ATOM 49 CG GLU 12 32.850 -3.184 -7.100 1.00 0.00 ATOM 50 CD GLU 12 32.697 -1.746 -6.646 1.00 0.00 ATOM 51 OE1 GLU 12 31.760 -1.433 -5.892 1.00 0.00 ATOM 52 OE2 GLU 12 33.534 -0.919 -7.054 1.00 0.00 ATOM 53 O GLU 12 35.132 -5.170 -10.587 1.00 0.00 ATOM 54 C GLU 12 35.443 -4.831 -9.448 1.00 0.00 ATOM 55 N MET 13 36.667 -4.451 -9.116 1.00 0.00 ATOM 56 CA MET 13 37.750 -4.433 -10.084 1.00 0.00 ATOM 57 CB MET 13 39.015 -3.856 -9.441 1.00 0.00 ATOM 58 CG MET 13 39.027 -2.343 -9.356 1.00 0.00 ATOM 59 SD MET 13 39.094 -1.512 -11.122 1.00 0.00 ATOM 60 CE MET 13 41.002 -1.577 -11.420 1.00 0.00 ATOM 61 O MET 13 38.167 -5.968 -11.890 1.00 0.00 ATOM 62 C MET 13 38.044 -5.820 -10.671 1.00 0.00 ATOM 63 N VAL 14 38.167 -6.830 -9.813 1.00 0.00 ATOM 64 CA VAL 14 38.447 -8.173 -10.298 1.00 0.00 ATOM 65 CB VAL 14 38.750 -9.155 -9.130 1.00 0.00 ATOM 66 CG1 VAL 14 38.982 -10.565 -9.663 1.00 0.00 ATOM 67 CG2 VAL 14 39.982 -8.699 -8.389 1.00 0.00 ATOM 68 O VAL 14 37.416 -9.267 -12.178 1.00 0.00 ATOM 69 C VAL 14 37.251 -8.660 -11.115 1.00 0.00 ATOM 70 N LYS 15 36.044 -8.390 -10.632 1.00 0.00 ATOM 71 CA LYS 15 34.858 -8.792 -11.376 1.00 0.00 ATOM 72 CB LYS 15 33.585 -8.344 -10.657 1.00 0.00 ATOM 73 CG LYS 15 32.315 -8.789 -11.340 1.00 0.00 ATOM 74 CD LYS 15 31.115 -8.533 -10.452 1.00 0.00 ATOM 75 CE LYS 15 29.944 -9.430 -10.851 1.00 0.00 ATOM 76 NZ LYS 15 30.255 -10.877 -10.746 1.00 0.00 ATOM 77 O LYS 15 34.662 -8.791 -13.766 1.00 0.00 ATOM 78 C LYS 15 34.908 -8.140 -12.756 1.00 0.00 ATOM 79 N GLU 16 35.229 -6.847 -12.784 1.00 0.00 ATOM 80 CA GLU 16 35.327 -6.088 -14.022 1.00 0.00 ATOM 81 CB GLU 16 35.654 -4.633 -13.725 1.00 0.00 ATOM 82 CG GLU 16 35.623 -3.711 -14.941 1.00 0.00 ATOM 83 CD GLU 16 34.207 -3.457 -15.429 1.00 0.00 ATOM 84 OE1 GLU 16 33.773 -4.131 -16.387 1.00 0.00 ATOM 85 OE2 GLU 16 33.515 -2.591 -14.838 1.00 0.00 ATOM 86 O GLU 16 36.146 -6.882 -16.122 1.00 0.00 ATOM 87 C GLU 16 36.404 -6.628 -14.946 1.00 0.00 ATOM 88 N VAL 17 37.617 -6.775 -14.421 1.00 0.00 ATOM 89 CA VAL 17 38.750 -7.277 -15.199 1.00 0.00 ATOM 90 CB VAL 17 40.036 -7.378 -14.339 1.00 0.00 ATOM 91 CG1 VAL 17 41.144 -8.027 -15.145 1.00 0.00 ATOM 92 CG2 VAL 17 40.473 -5.988 -13.885 1.00 0.00 ATOM 93 O VAL 17 38.790 -8.873 -16.992 1.00 0.00 ATOM 94 C VAL 17 38.487 -8.646 -15.820 1.00 0.00 ATOM 95 N GLU 18 37.941 -9.560 -15.026 1.00 0.00 ATOM 96 CA GLU 18 37.644 -10.907 -15.500 1.00 0.00 ATOM 97 CB GLU 18 37.207 -11.770 -14.314 1.00 0.00 ATOM 98 CG GLU 18 36.579 -13.108 -14.663 1.00 0.00 ATOM 99 CD GLU 18 37.560 -14.086 -15.275 1.00 0.00 ATOM 100 OE1 GLU 18 38.703 -14.171 -14.788 1.00 0.00 ATOM 101 OE2 GLU 18 37.176 -14.784 -16.237 1.00 0.00 ATOM 102 O GLU 18 36.659 -11.497 -17.615 1.00 0.00 ATOM 103 C GLU 18 36.561 -10.834 -16.579 1.00 0.00 ATOM 104 N ARG 19 35.545 -10.008 -16.341 1.00 0.00 ATOM 105 CA ARG 19 34.459 -9.802 -17.293 1.00 0.00 ATOM 106 CB ARG 19 33.504 -8.716 -16.800 1.00 0.00 ATOM 107 CG ARG 19 32.355 -8.441 -17.748 1.00 0.00 ATOM 108 CD ARG 19 31.501 -7.276 -17.272 1.00 0.00 ATOM 109 NE ARG 19 32.179 -5.998 -17.447 1.00 0.00 ATOM 110 CZ ARG 19 32.389 -5.417 -18.628 1.00 0.00 ATOM 111 NH1 ARG 19 31.972 -6.002 -19.750 1.00 0.00 ATOM 112 NH2 ARG 19 33.018 -4.249 -18.691 1.00 0.00 ATOM 113 O ARG 19 34.460 -9.780 -19.681 1.00 0.00 ATOM 114 C ARG 19 34.991 -9.375 -18.653 1.00 0.00 ATOM 115 N LEU 20 36.023 -8.537 -18.658 1.00 0.00 ATOM 116 CA LEU 20 36.613 -8.070 -19.908 1.00 0.00 ATOM 117 CB LEU 20 37.405 -6.772 -19.696 1.00 0.00 ATOM 118 CG LEU 20 36.656 -5.452 -19.478 1.00 0.00 ATOM 119 CD1 LEU 20 37.647 -4.352 -19.069 1.00 0.00 ATOM 120 CD2 LEU 20 35.922 -5.070 -20.748 1.00 0.00 ATOM 121 O LEU 20 37.728 -9.099 -21.740 1.00 0.00 ATOM 122 C LEU 20 37.532 -9.110 -20.531 1.00 0.00 ATOM 123 N LYS 21 38.102 -9.999 -19.719 1.00 0.00 ATOM 124 CA LYS 21 38.999 -11.027 -20.250 1.00 0.00 ATOM 125 CB LYS 21 39.896 -11.604 -19.137 1.00 0.00 ATOM 126 CG LYS 21 40.889 -10.585 -18.547 1.00 0.00 ATOM 127 CD LYS 21 41.868 -11.209 -17.545 1.00 0.00 ATOM 128 CE LYS 21 42.948 -10.206 -17.095 1.00 0.00 ATOM 129 NZ LYS 21 43.928 -10.768 -16.109 1.00 0.00 ATOM 130 O LYS 21 38.612 -12.793 -21.862 1.00 0.00 ATOM 131 C LYS 21 38.172 -12.132 -20.910 1.00 0.00 ATOM 132 N LEU 22 36.963 -12.326 -20.394 1.00 0.00 ATOM 133 CA LEU 22 36.051 -13.315 -20.941 1.00 0.00 ATOM 134 CB LEU 22 34.944 -13.591 -19.934 1.00 0.00 ATOM 135 CG LEU 22 35.234 -14.758 -18.999 1.00 0.00 ATOM 136 CD1 LEU 22 34.370 -14.687 -17.754 1.00 0.00 ATOM 137 CD2 LEU 22 34.992 -16.035 -19.778 1.00 0.00 ATOM 138 O LEU 22 35.450 -13.461 -23.272 1.00 0.00 ATOM 139 C LEU 22 35.464 -12.773 -22.249 1.00 0.00 ATOM 140 N GLU 23 34.984 -11.535 -22.217 1.00 0.00 ATOM 141 CA GLU 23 34.437 -10.934 -23.416 1.00 0.00 ATOM 142 CB GLU 23 33.823 -9.570 -23.101 1.00 0.00 ATOM 143 CG GLU 23 33.276 -8.822 -24.308 1.00 0.00 ATOM 144 CD GLU 23 32.425 -7.622 -23.919 1.00 0.00 ATOM 145 OE1 GLU 23 31.294 -7.829 -23.420 1.00 0.00 ATOM 146 OE2 GLU 23 32.889 -6.473 -24.099 1.00 0.00 ATOM 147 O GLU 23 35.368 -10.850 -25.629 1.00 0.00 ATOM 148 C GLU 23 35.581 -10.797 -24.417 1.00 0.00 ATOM 149 N ASN 24 36.801 -10.636 -23.914 1.00 0.00 ATOM 150 CA ASN 24 37.953 -10.511 -24.803 1.00 0.00 ATOM 151 CB ASN 24 39.196 -10.049 -24.037 1.00 0.00 ATOM 152 CG ASN 24 40.460 -10.101 -24.888 1.00 0.00 ATOM 153 ND2 ASN 24 40.865 -8.949 -25.411 1.00 0.00 ATOM 154 OD1 ASN 24 41.054 -11.163 -25.082 1.00 0.00 ATOM 155 O ASN 24 38.718 -11.863 -26.617 1.00 0.00 ATOM 156 C ASN 24 38.244 -11.837 -25.488 1.00 0.00 ATOM 157 N LYS 25 37.970 -12.941 -24.806 1.00 0.00 ATOM 158 CA LYS 25 38.208 -14.243 -25.405 1.00 0.00 ATOM 159 CB LYS 25 38.139 -15.358 -24.353 1.00 0.00 ATOM 160 CG LYS 25 38.603 -16.708 -24.901 1.00 0.00 ATOM 161 CD LYS 25 38.779 -17.772 -23.821 1.00 0.00 ATOM 162 CE LYS 25 37.449 -18.272 -23.282 1.00 0.00 ATOM 163 NZ LYS 25 37.644 -19.429 -22.368 1.00 0.00 ATOM 164 O LYS 25 37.483 -14.642 -27.648 1.00 0.00 ATOM 165 C LYS 25 37.151 -14.456 -26.481 1.00 0.00 ATOM 166 N THR 26 35.878 -14.419 -26.091 1.00 0.00 ATOM 167 CA THR 26 34.795 -14.589 -27.051 1.00 0.00 ATOM 168 CB THR 26 33.491 -13.980 -26.548 1.00 0.00 ATOM 169 CG2 THR 26 32.491 -13.848 -27.686 1.00 0.00 ATOM 170 OG1 THR 26 32.943 -14.815 -25.527 1.00 0.00 ATOM 171 O THR 26 35.077 -14.461 -29.421 1.00 0.00 ATOM 172 C THR 26 35.149 -13.877 -28.340 1.00 0.00 ATOM 173 N LEU 27 35.533 -12.609 -28.224 1.00 0.00 ATOM 174 CA LEU 27 35.886 -11.830 -29.404 1.00 0.00 ATOM 175 CB LEU 27 36.191 -10.384 -29.003 1.00 0.00 ATOM 176 CG LEU 27 34.915 -9.611 -28.633 1.00 0.00 ATOM 177 CD1 LEU 27 35.232 -8.451 -27.691 1.00 0.00 ATOM 178 CD2 LEU 27 34.239 -9.129 -29.900 1.00 0.00 ATOM 179 O LEU 27 37.017 -12.418 -31.428 1.00 0.00 ATOM 180 C LEU 27 37.042 -12.444 -30.202 1.00 0.00 ATOM 181 N LYS 28 38.036 -13.002 -29.518 1.00 0.00 ATOM 182 CA LYS 28 39.162 -13.633 -30.214 1.00 0.00 ATOM 183 CB LYS 28 40.332 -13.895 -29.256 1.00 0.00 ATOM 184 CG LYS 28 41.099 -12.659 -28.782 1.00 0.00 ATOM 185 CD LYS 28 42.270 -13.072 -27.880 1.00 0.00 ATOM 186 CE LYS 28 43.294 -11.953 -27.673 1.00 0.00 ATOM 187 NZ LYS 28 42.757 -10.785 -26.900 1.00 0.00 ATOM 188 O LYS 28 39.186 -15.469 -31.785 1.00 0.00 ATOM 189 C LYS 28 38.669 -14.964 -30.790 1.00 0.00 ATOM 190 N GLN 29 37.656 -15.536 -30.150 1.00 0.00 ATOM 191 CA GLN 29 37.098 -16.791 -30.611 1.00 0.00 ATOM 192 CB GLN 29 36.196 -17.397 -29.534 1.00 0.00 ATOM 193 CG GLN 29 36.520 -18.851 -29.206 1.00 0.00 ATOM 194 CD GLN 29 36.320 -19.182 -27.734 1.00 0.00 ATOM 195 OE1 GLN 29 35.229 -19.004 -27.184 1.00 0.00 ATOM 196 NE2 GLN 29 37.380 -19.662 -27.089 1.00 0.00 ATOM 197 O GLN 29 36.324 -17.270 -32.820 1.00 0.00 ATOM 198 C GLN 29 36.309 -16.492 -31.875 1.00 0.00 ATOM 199 N LYS 30 35.635 -15.346 -31.897 1.00 0.00 ATOM 200 CA LYS 30 34.858 -14.970 -33.066 1.00 0.00 ATOM 201 CB LYS 30 34.156 -13.624 -32.863 1.00 0.00 ATOM 202 CG LYS 30 32.907 -13.712 -32.014 1.00 0.00 ATOM 203 CD LYS 30 32.166 -12.396 -31.975 1.00 0.00 ATOM 204 CE LYS 30 30.862 -12.538 -31.205 1.00 0.00 ATOM 205 NZ LYS 30 30.013 -13.625 -31.769 1.00 0.00 ATOM 206 O LYS 30 35.331 -15.424 -35.339 1.00 0.00 ATOM 207 C LYS 30 35.727 -14.904 -34.303 1.00 0.00 ATOM 208 N VAL 31 36.900 -14.272 -34.216 1.00 0.00 ATOM 209 CA VAL 31 37.777 -14.191 -35.389 1.00 0.00 ATOM 210 CB VAL 31 39.045 -13.312 -35.136 1.00 0.00 ATOM 211 CG1 VAL 31 38.636 -11.895 -34.751 1.00 0.00 ATOM 212 CG2 VAL 31 39.910 -13.931 -34.052 1.00 0.00 ATOM 213 O VAL 31 39.384 -15.966 -35.823 1.00 0.00 ATOM 214 C VAL 31 38.201 -15.604 -35.825 1.00 0.00 ATOM 215 N SER 39 42.619 -17.582 -32.471 1.00 0.00 ATOM 216 CA SER 39 43.986 -17.958 -32.132 1.00 0.00 ATOM 217 CB SER 39 44.676 -18.610 -33.330 1.00 0.00 ATOM 218 OG SER 39 46.060 -18.783 -33.076 1.00 0.00 ATOM 219 O SER 39 45.650 -16.261 -32.420 1.00 0.00 ATOM 220 C SER 39 44.816 -16.771 -31.671 1.00 0.00 ATOM 221 N ASP 40 44.581 -16.329 -30.442 1.00 0.00 ATOM 222 CA ASP 40 45.327 -15.207 -29.886 1.00 0.00 ATOM 223 CB ASP 40 44.634 -13.881 -30.224 1.00 0.00 ATOM 224 CG ASP 40 45.560 -12.678 -30.081 1.00 0.00 ATOM 225 OD1 ASP 40 46.157 -12.507 -28.997 1.00 0.00 ATOM 226 OD2 ASP 40 45.686 -11.901 -31.057 1.00 0.00 ATOM 227 O ASP 40 44.930 -14.567 -27.603 1.00 0.00 ATOM 228 C ASP 40 45.394 -15.403 -28.379 1.00 0.00 ATOM 229 N ASP 41 45.970 -16.531 -27.977 1.00 0.00 ATOM 230 CA ASP 41 46.113 -16.874 -26.573 1.00 0.00 ATOM 231 CB ASP 41 45.384 -18.185 -26.287 1.00 0.00 ATOM 232 CG ASP 41 45.568 -18.651 -24.864 1.00 0.00 ATOM 233 OD1 ASP 41 45.529 -17.796 -23.958 1.00 0.00 ATOM 234 OD2 ASP 41 45.738 -19.872 -24.654 1.00 0.00 ATOM 235 O ASP 41 48.217 -18.033 -26.399 1.00 0.00 ATOM 236 C ASP 41 47.583 -16.997 -26.195 1.00 0.00 ATOM 237 N SER 42 48.112 -15.921 -25.633 1.00 0.00 ATOM 238 CA SER 42 49.504 -15.863 -25.215 1.00 0.00 ATOM 239 CB SER 42 49.886 -14.410 -24.958 1.00 0.00 ATOM 240 OG SER 42 49.412 -13.581 -26.002 1.00 0.00 ATOM 241 O SER 42 48.897 -17.001 -23.183 1.00 0.00 ATOM 242 C SER 42 49.793 -16.672 -23.960 1.00 0.00 ATOM 243 N ILE 43 51.065 -16.984 -23.772 1.00 0.00 ATOM 244 CA ILE 43 51.517 -17.716 -22.606 1.00 0.00 ATOM 245 CB ILE 43 52.875 -18.379 -22.906 1.00 0.00 ATOM 246 CG1 ILE 43 52.644 -19.668 -23.694 1.00 0.00 ATOM 247 CG2 ILE 43 53.647 -18.611 -21.630 1.00 0.00 ATOM 248 CD1 ILE 43 52.273 -19.466 -25.162 1.00 0.00 ATOM 249 O ILE 43 52.102 -15.581 -21.685 1.00 0.00 ATOM 250 C ILE 43 51.666 -16.707 -21.467 1.00 0.00 ATOM 251 N LEU 44 51.302 -17.115 -20.258 1.00 0.00 ATOM 252 CA LEU 44 51.387 -16.252 -19.087 1.00 0.00 ATOM 253 CB LEU 44 50.713 -16.964 -17.920 1.00 0.00 ATOM 254 CG LEU 44 49.967 -16.138 -16.882 1.00 0.00 ATOM 255 CD1 LEU 44 49.017 -15.164 -17.565 1.00 0.00 ATOM 256 CD2 LEU 44 49.215 -17.093 -15.958 1.00 0.00 ATOM 257 O LEU 44 53.734 -16.738 -18.954 1.00 0.00 ATOM 258 C LEU 44 52.844 -15.925 -18.738 1.00 0.00 ATOM 259 N THR 45 53.080 -14.726 -18.216 1.00 0.00 ATOM 260 CA THR 45 54.424 -14.308 -17.816 1.00 0.00 ATOM 261 CB THR 45 54.696 -12.832 -18.182 1.00 0.00 ATOM 262 CG2 THR 45 56.042 -12.387 -17.630 1.00 0.00 ATOM 263 OG1 THR 45 54.689 -12.679 -19.606 1.00 0.00 ATOM 264 O THR 45 53.485 -14.290 -15.615 1.00 0.00 ATOM 265 C THR 45 54.499 -14.446 -16.300 1.00 0.00 ATOM 266 N ALA 46 55.687 -14.733 -15.774 1.00 0.00 ATOM 267 CA ALA 46 55.851 -14.901 -14.331 1.00 0.00 ATOM 268 CB ALA 46 57.314 -14.951 -13.967 1.00 0.00 ATOM 269 O ALA 46 54.482 -14.068 -12.563 1.00 0.00 ATOM 270 C ALA 46 55.164 -13.796 -13.545 1.00 0.00 ATOM 271 N ALA 47 55.337 -12.555 -13.986 1.00 0.00 ATOM 272 CA ALA 47 54.733 -11.414 -13.316 1.00 0.00 ATOM 273 CB ALA 47 55.350 -10.129 -13.832 1.00 0.00 ATOM 274 O ALA 47 52.464 -11.205 -12.556 1.00 0.00 ATOM 275 C ALA 47 53.222 -11.387 -13.512 1.00 0.00 ATOM 276 N LYS 48 52.796 -11.562 -14.759 1.00 0.00 ATOM 277 CA LYS 48 51.385 -11.563 -15.119 1.00 0.00 ATOM 278 CB LYS 48 51.230 -11.951 -16.590 1.00 0.00 ATOM 279 CG LYS 48 49.894 -11.582 -17.209 1.00 0.00 ATOM 280 CD LYS 48 49.887 -10.124 -17.632 1.00 0.00 ATOM 281 CE LYS 48 48.673 -9.790 -18.488 1.00 0.00 ATOM 282 NZ LYS 48 48.799 -8.452 -19.143 1.00 0.00 ATOM 283 O LYS 48 49.619 -12.224 -13.633 1.00 0.00 ATOM 284 C LYS 48 50.628 -12.561 -14.256 1.00 0.00 ATOM 285 N ARG 49 51.117 -13.797 -14.223 1.00 0.00 ATOM 286 CA ARG 49 50.458 -14.831 -13.424 1.00 0.00 ATOM 287 CB ARG 49 51.202 -16.175 -13.483 1.00 0.00 ATOM 288 CG ARG 49 50.533 -17.243 -12.616 1.00 0.00 ATOM 289 CD ARG 49 51.373 -18.503 -12.423 1.00 0.00 ATOM 290 NE ARG 49 51.651 -19.190 -13.676 1.00 0.00 ATOM 291 CZ ARG 49 52.762 -19.034 -14.385 1.00 0.00 ATOM 292 NH1 ARG 49 53.714 -18.215 -13.957 1.00 0.00 ATOM 293 NH2 ARG 49 52.918 -19.682 -15.530 1.00 0.00 ATOM 294 O ARG 49 49.282 -14.457 -11.367 1.00 0.00 ATOM 295 C ARG 49 50.352 -14.412 -11.965 1.00 0.00 ATOM 296 N GLU 50 51.485 -14.011 -11.404 1.00 0.00 ATOM 297 CA GLU 50 51.555 -13.588 -10.015 1.00 0.00 ATOM 298 CB GLU 50 52.995 -13.194 -9.662 1.00 0.00 ATOM 299 CG GLU 50 53.303 -13.349 -8.194 1.00 0.00 ATOM 300 CD GLU 50 53.105 -14.775 -7.723 1.00 0.00 ATOM 301 OE1 GLU 50 53.076 -15.004 -6.499 1.00 0.00 ATOM 302 OE2 GLU 50 52.982 -15.678 -8.581 1.00 0.00 ATOM 303 O GLU 50 49.944 -12.362 -8.704 1.00 0.00 ATOM 304 C GLU 50 50.603 -12.424 -9.748 1.00 0.00 ATOM 305 N SER 51 50.541 -11.500 -10.703 1.00 0.00 ATOM 306 CA SER 51 49.660 -10.349 -10.576 1.00 0.00 ATOM 307 CB SER 51 49.877 -9.414 -11.763 1.00 0.00 ATOM 308 OG SER 51 49.407 -8.118 -11.462 1.00 0.00 ATOM 309 O SER 51 47.421 -10.391 -9.688 1.00 0.00 ATOM 310 C SER 51 48.205 -10.841 -10.512 1.00 0.00 ATOM 311 N ILE 52 47.863 -11.790 -11.372 1.00 0.00 ATOM 312 CA ILE 52 46.515 -12.341 -11.396 1.00 0.00 ATOM 313 CB ILE 52 46.318 -13.286 -12.613 1.00 0.00 ATOM 314 CG1 ILE 52 46.467 -12.482 -13.913 1.00 0.00 ATOM 315 CG2 ILE 52 44.948 -13.951 -12.550 1.00 0.00 ATOM 316 CD1 ILE 52 45.688 -11.160 -14.002 1.00 0.00 ATOM 317 O ILE 52 45.073 -13.061 -9.613 1.00 0.00 ATOM 318 C ILE 52 46.204 -13.093 -10.102 1.00 0.00 ATOM 319 N ILE 53 47.202 -13.764 -9.543 1.00 0.00 ATOM 320 CA ILE 53 46.995 -14.500 -8.308 1.00 0.00 ATOM 321 CB ILE 53 48.165 -15.471 -8.051 1.00 0.00 ATOM 322 CG1 ILE 53 48.247 -16.467 -9.208 1.00 0.00 ATOM 323 CG2 ILE 53 47.976 -16.192 -6.726 1.00 0.00 ATOM 324 CD1 ILE 53 47.025 -17.400 -9.446 1.00 0.00 ATOM 325 O ILE 53 45.918 -13.771 -6.283 1.00 0.00 ATOM 326 C ILE 53 46.808 -13.561 -7.110 1.00 0.00 ATOM 327 N VAL 54 47.622 -12.516 -7.014 1.00 0.00 ATOM 328 CA VAL 54 47.484 -11.581 -5.894 1.00 0.00 ATOM 329 CB VAL 54 48.598 -10.500 -5.902 1.00 0.00 ATOM 330 CG1 VAL 54 48.473 -9.618 -4.682 1.00 0.00 ATOM 331 CG2 VAL 54 49.951 -11.154 -5.925 1.00 0.00 ATOM 332 O VAL 54 45.532 -10.624 -4.854 1.00 0.00 ATOM 333 C VAL 54 46.116 -10.873 -5.916 1.00 0.00 ATOM 334 N SER 55 45.616 -10.550 -7.114 1.00 0.00 ATOM 335 CA SER 55 44.326 -9.877 -7.264 1.00 0.00 ATOM 336 CB SER 55 44.089 -9.459 -8.720 1.00 0.00 ATOM 337 OG SER 55 45.121 -8.644 -9.225 1.00 0.00 ATOM 338 O SER 55 42.367 -10.461 -5.991 1.00 0.00 ATOM 339 C SER 55 43.169 -10.785 -6.871 1.00 0.00 ATOM 340 N SER 56 43.076 -11.916 -7.560 1.00 0.00 ATOM 341 CA SER 56 42.014 -12.882 -7.306 1.00 0.00 ATOM 342 CB SER 56 42.265 -14.156 -8.120 1.00 0.00 ATOM 343 OG SER 56 42.412 -13.854 -9.488 1.00 0.00 ATOM 344 O SER 56 40.846 -13.280 -5.243 1.00 0.00 ATOM 345 C SER 56 41.932 -13.222 -5.820 1.00 0.00 ATOM 346 N SER 57 43.091 -13.452 -5.209 1.00 0.00 ATOM 347 CA SER 57 43.140 -13.790 -3.799 1.00 0.00 ATOM 348 CB SER 57 44.585 -13.971 -3.347 1.00 0.00 ATOM 349 OG SER 57 45.206 -15.009 -4.071 1.00 0.00 ATOM 350 O SER 57 41.624 -12.912 -2.175 1.00 0.00 ATOM 351 C SER 57 42.501 -12.672 -3.003 1.00 0.00 ATOM 352 N ARG 58 42.937 -11.447 -3.262 1.00 0.00 ATOM 353 CA ARG 58 42.399 -10.307 -2.541 1.00 0.00 ATOM 354 CB ARG 58 43.146 -9.033 -2.926 1.00 0.00 ATOM 355 CG ARG 58 44.569 -8.993 -2.377 1.00 0.00 ATOM 356 CD ARG 58 45.264 -7.662 -2.654 1.00 0.00 ATOM 357 NE ARG 58 46.579 -7.603 -2.021 1.00 0.00 ATOM 358 CZ ARG 58 47.599 -6.884 -2.473 1.00 0.00 ATOM 359 NH1 ARG 58 47.469 -6.153 -3.569 1.00 0.00 ATOM 360 NH2 ARG 58 48.755 -6.898 -1.837 1.00 0.00 ATOM 361 O ARG 58 40.171 -9.874 -1.772 1.00 0.00 ATOM 362 C ARG 58 40.897 -10.143 -2.733 1.00 0.00 ATOM 363 N ALA 59 40.422 -10.314 -3.964 1.00 0.00 ATOM 364 CA ALA 59 38.992 -10.208 -4.226 1.00 0.00 ATOM 365 CB ALA 59 38.705 -10.406 -5.690 1.00 0.00 ATOM 366 O ALA 59 37.342 -10.967 -2.662 1.00 0.00 ATOM 367 C ALA 59 38.271 -11.272 -3.408 1.00 0.00 ATOM 368 N LEU 60 38.695 -12.523 -3.551 1.00 0.00 ATOM 369 CA LEU 60 38.078 -13.609 -2.788 1.00 0.00 ATOM 370 CB LEU 60 38.656 -14.959 -3.229 1.00 0.00 ATOM 371 CG LEU 60 38.135 -15.355 -4.619 1.00 0.00 ATOM 372 CD1 LEU 60 38.850 -16.580 -5.185 1.00 0.00 ATOM 373 CD2 LEU 60 36.648 -15.615 -4.496 1.00 0.00 ATOM 374 O LEU 60 37.466 -13.821 -0.463 1.00 0.00 ATOM 375 C LEU 60 38.269 -13.377 -1.282 1.00 0.00 ATOM 376 N GLY 61 39.327 -12.653 -0.927 1.00 0.00 ATOM 377 CA GLY 61 39.576 -12.354 0.469 1.00 0.00 ATOM 378 O GLY 61 38.037 -11.597 2.124 1.00 0.00 ATOM 379 C GLY 61 38.495 -11.439 1.001 1.00 0.00 ATOM 380 N ALA 62 38.100 -10.467 0.185 1.00 0.00 ATOM 381 CA ALA 62 37.057 -9.504 0.545 1.00 0.00 ATOM 382 CB ALA 62 36.874 -8.485 -0.587 1.00 0.00 ATOM 383 O ALA 62 35.044 -9.946 1.771 1.00 0.00 ATOM 384 C ALA 62 35.747 -10.233 0.800 1.00 0.00 ATOM 385 N VAL 63 35.410 -11.165 -0.089 1.00 0.00 ATOM 386 CA VAL 63 34.186 -11.939 0.063 1.00 0.00 ATOM 387 CB VAL 63 33.992 -12.942 -1.103 1.00 0.00 ATOM 388 CG1 VAL 63 32.707 -13.725 -0.907 1.00 0.00 ATOM 389 CG2 VAL 63 33.932 -12.199 -2.445 1.00 0.00 ATOM 390 O VAL 63 33.361 -12.725 2.172 1.00 0.00 ATOM 391 C VAL 63 34.299 -12.698 1.374 1.00 0.00 ATOM 392 N ALA 64 35.462 -13.294 1.615 1.00 0.00 ATOM 393 CA ALA 64 35.681 -14.023 2.854 1.00 0.00 ATOM 394 CB ALA 64 37.057 -14.654 2.851 1.00 0.00 ATOM 395 O ALA 64 34.867 -13.434 5.047 1.00 0.00 ATOM 396 C ALA 64 35.519 -13.085 4.052 1.00 0.00 ATOM 397 N MET 65 36.088 -11.886 3.954 1.00 0.00 ATOM 398 CA MET 65 35.975 -10.924 5.037 1.00 0.00 ATOM 399 CB MET 65 36.639 -9.602 4.660 1.00 0.00 ATOM 400 CG MET 65 37.796 -9.192 5.567 1.00 0.00 ATOM 401 SD MET 65 37.442 -9.341 7.472 1.00 0.00 ATOM 402 CE MET 65 35.886 -8.209 7.628 1.00 0.00 ATOM 403 O MET 65 34.109 -10.972 6.540 1.00 0.00 ATOM 404 C MET 65 34.516 -10.667 5.413 1.00 0.00 ATOM 405 N ARG 66 33.729 -10.124 4.481 1.00 0.00 ATOM 406 CA ARG 66 32.333 -9.817 4.792 1.00 0.00 ATOM 407 CB ARG 66 31.648 -9.027 3.653 1.00 0.00 ATOM 408 CG ARG 66 31.631 -9.676 2.288 1.00 0.00 ATOM 409 CD ARG 66 31.067 -8.722 1.243 1.00 0.00 ATOM 410 NE ARG 66 31.225 -9.241 -0.119 1.00 0.00 ATOM 411 CZ ARG 66 30.420 -10.130 -0.706 1.00 0.00 ATOM 412 NH1 ARG 66 29.363 -10.626 -0.072 1.00 0.00 ATOM 413 NH2 ARG 66 30.703 -10.542 -1.932 1.00 0.00 ATOM 414 O ARG 66 30.606 -10.857 6.067 1.00 0.00 ATOM 415 C ARG 66 31.485 -11.012 5.214 1.00 0.00 ATOM 416 N LYS 67 31.731 -12.202 4.661 1.00 0.00 ATOM 417 CA LYS 67 30.949 -13.364 5.118 1.00 0.00 ATOM 418 CB LYS 67 31.232 -14.617 4.290 1.00 0.00 ATOM 419 CG LYS 67 30.396 -14.720 3.039 1.00 0.00 ATOM 420 CD LYS 67 30.774 -15.939 2.221 1.00 0.00 ATOM 421 CE LYS 67 30.019 -15.978 0.909 1.00 0.00 ATOM 422 NZ LYS 67 30.111 -17.320 0.277 1.00 0.00 ATOM 423 O LYS 67 30.442 -13.846 7.409 1.00 0.00 ATOM 424 C LYS 67 31.314 -13.640 6.569 1.00 0.00 ATOM 425 N ILE 68 32.615 -13.624 6.858 1.00 0.00 ATOM 426 CA ILE 68 33.119 -13.864 8.208 1.00 0.00 ATOM 427 CB ILE 68 34.660 -13.786 8.242 1.00 0.00 ATOM 428 CG1 ILE 68 35.244 -14.979 7.487 1.00 0.00 ATOM 429 CG2 ILE 68 35.157 -13.784 9.668 1.00 0.00 ATOM 430 CD1 ILE 68 36.719 -14.844 7.109 1.00 0.00 ATOM 431 O ILE 68 32.113 -13.288 10.299 1.00 0.00 ATOM 432 C ILE 68 32.551 -12.883 9.228 1.00 0.00 ATOM 433 N GLU 69 32.568 -11.595 8.904 1.00 0.00 ATOM 434 CA GLU 69 32.031 -10.593 9.820 1.00 0.00 ATOM 435 CB GLU 69 32.189 -9.189 9.232 1.00 0.00 ATOM 436 CG GLU 69 31.168 -8.191 9.748 1.00 0.00 ATOM 437 CD GLU 69 31.764 -6.822 9.999 1.00 0.00 ATOM 438 OE1 GLU 69 32.622 -6.404 9.194 1.00 0.00 ATOM 439 OE2 GLU 69 31.372 -6.163 10.990 1.00 0.00 ATOM 440 O GLU 69 30.091 -10.837 11.223 1.00 0.00 ATOM 441 C GLU 69 30.557 -10.873 10.081 1.00 0.00 ATOM 442 N ALA 70 29.828 -11.160 9.011 1.00 0.00 ATOM 443 CA ALA 70 28.410 -11.440 9.134 1.00 0.00 ATOM 444 CB ALA 70 27.803 -11.749 7.757 1.00 0.00 ATOM 445 O ALA 70 27.447 -12.423 11.092 1.00 0.00 ATOM 446 C ALA 70 28.167 -12.594 10.104 1.00 0.00 ATOM 447 N LYS 71 28.776 -13.752 9.825 1.00 0.00 ATOM 448 CA LYS 71 28.610 -14.938 10.676 1.00 0.00 ATOM 449 CB LYS 71 29.421 -16.116 10.137 1.00 0.00 ATOM 450 CG LYS 71 28.814 -16.782 8.920 1.00 0.00 ATOM 451 CD LYS 71 29.621 -17.999 8.501 1.00 0.00 ATOM 452 CE LYS 71 28.894 -18.797 7.434 1.00 0.00 ATOM 453 NZ LYS 71 29.652 -20.024 7.070 1.00 0.00 ATOM 454 O LYS 71 28.271 -15.010 13.037 1.00 0.00 ATOM 455 C LYS 71 29.008 -14.682 12.115 1.00 0.00 ATOM 456 N VAL 72 30.180 -14.092 12.298 1.00 0.00 ATOM 457 CA VAL 72 30.654 -13.774 13.632 1.00 0.00 ATOM 458 CB VAL 72 31.999 -13.025 13.604 1.00 0.00 ATOM 459 CG1 VAL 72 32.336 -12.513 15.006 1.00 0.00 ATOM 460 CG2 VAL 72 33.086 -13.951 13.094 1.00 0.00 ATOM 461 O VAL 72 29.123 -13.252 15.388 1.00 0.00 ATOM 462 C VAL 72 29.635 -12.896 14.327 1.00 0.00 ATOM 463 N ARG 73 29.344 -11.746 13.725 1.00 0.00 ATOM 464 CA ARG 73 28.381 -10.829 14.304 1.00 0.00 ATOM 465 CB ARG 73 28.140 -9.661 13.356 1.00 0.00 ATOM 466 CG ARG 73 27.033 -8.755 13.807 1.00 0.00 ATOM 467 CD ARG 73 26.837 -7.569 12.883 1.00 0.00 ATOM 468 NE ARG 73 27.731 -6.458 13.202 1.00 0.00 ATOM 469 CZ ARG 73 28.964 -6.335 12.737 1.00 0.00 ATOM 470 NH1 ARG 73 29.446 -7.266 11.933 1.00 0.00 ATOM 471 NH2 ARG 73 29.700 -5.279 13.063 1.00 0.00 ATOM 472 O ARG 73 26.462 -11.378 15.657 1.00 0.00 ATOM 473 C ARG 73 27.081 -11.585 14.618 1.00 0.00 ATOM 474 N SER 74 26.702 -12.496 13.732 1.00 0.00 ATOM 475 CA SER 74 25.502 -13.301 13.902 1.00 0.00 ATOM 476 CB SER 74 25.260 -14.119 12.626 1.00 0.00 ATOM 477 OG SER 74 24.108 -14.942 12.728 1.00 0.00 ATOM 478 O SER 74 24.664 -14.322 15.919 1.00 0.00 ATOM 479 C SER 74 25.588 -14.248 15.109 1.00 0.00 ATOM 480 N ARG 75 26.701 -14.973 15.222 1.00 0.00 ATOM 481 CA ARG 75 26.893 -15.929 16.308 1.00 0.00 ATOM 482 CB ARG 75 27.929 -16.973 15.901 1.00 0.00 ATOM 483 CG ARG 75 27.500 -17.773 14.708 1.00 0.00 ATOM 484 CD ARG 75 28.420 -18.924 14.417 1.00 0.00 ATOM 485 NE ARG 75 28.168 -19.449 13.082 1.00 0.00 ATOM 486 CZ ARG 75 28.804 -20.489 12.552 1.00 0.00 ATOM 487 NH1 ARG 75 29.736 -21.128 13.243 1.00 0.00 ATOM 488 NH2 ARG 75 28.518 -20.882 11.316 1.00 0.00 ATOM 489 O ARG 75 27.188 -16.044 18.680 1.00 0.00 ATOM 490 C ARG 75 27.286 -15.355 17.667 1.00 0.00 ATOM 491 N ALA 76 27.731 -14.107 17.697 1.00 0.00 ATOM 492 CA ALA 76 28.138 -13.490 18.946 1.00 0.00 ATOM 493 CB ALA 76 29.309 -12.552 18.705 1.00 0.00 ATOM 494 O ALA 76 27.073 -12.288 20.708 1.00 0.00 ATOM 495 C ALA 76 26.991 -12.718 19.558 1.00 0.00 ATOM 496 N ALA 77 25.922 -12.543 18.785 1.00 0.00 ATOM 497 CA ALA 77 24.758 -11.788 19.237 1.00 0.00 ATOM 498 CB ALA 77 23.652 -11.884 18.207 1.00 0.00 ATOM 499 O ALA 77 23.792 -11.342 21.386 1.00 0.00 ATOM 500 C ALA 77 24.219 -12.195 20.607 1.00 0.00 ATOM 501 N LYS 78 24.244 -13.490 20.907 1.00 0.00 ATOM 502 CA LYS 78 23.725 -13.965 22.183 1.00 0.00 ATOM 503 CB LYS 78 23.560 -15.487 22.156 1.00 0.00 ATOM 504 CG LYS 78 24.841 -16.279 21.992 1.00 0.00 ATOM 505 CD LYS 78 24.569 -17.778 22.141 1.00 0.00 ATOM 506 CE LYS 78 25.834 -18.607 21.938 1.00 0.00 ATOM 507 NZ LYS 78 25.609 -20.074 22.132 1.00 0.00 ATOM 508 O LYS 78 24.043 -13.493 24.512 1.00 0.00 ATOM 509 C LYS 78 24.562 -13.553 23.397 1.00 0.00 ATOM 510 N ALA 79 25.846 -13.273 23.185 1.00 0.00 ATOM 511 CA ALA 79 26.715 -12.865 24.290 1.00 0.00 ATOM 512 CB ALA 79 28.162 -12.772 23.820 1.00 0.00 ATOM 513 O ALA 79 25.760 -10.653 24.136 1.00 0.00 ATOM 514 C ALA 79 26.242 -11.526 24.864 1.00 0.00 ATOM 515 N VAL 80 26.397 -11.372 26.174 1.00 0.00 ATOM 516 CA VAL 80 25.946 -10.178 26.877 1.00 0.00 ATOM 517 CB VAL 80 24.666 -10.527 27.660 1.00 0.00 ATOM 518 CG1 VAL 80 24.377 -9.497 28.732 1.00 0.00 ATOM 519 CG2 VAL 80 23.513 -10.634 26.692 1.00 0.00 ATOM 520 O VAL 80 26.863 -8.531 28.382 1.00 0.00 ATOM 521 C VAL 80 27.010 -9.623 27.823 1.00 0.00 ATOM 522 N THR 81 28.090 -10.375 27.989 1.00 0.00 ATOM 523 CA THR 81 29.160 -9.957 28.870 1.00 0.00 ATOM 524 CB THR 81 29.209 -10.882 30.106 1.00 0.00 ATOM 525 CG2 THR 81 27.841 -10.953 30.777 1.00 0.00 ATOM 526 OG1 THR 81 29.573 -12.205 29.705 1.00 0.00 ATOM 527 O THR 81 30.593 -10.650 27.089 1.00 0.00 ATOM 528 C THR 81 30.484 -9.994 28.120 1.00 0.00 ATOM 529 N GLU 82 31.484 -9.280 28.637 1.00 0.00 ATOM 530 CA GLU 82 32.806 -9.244 28.019 1.00 0.00 ATOM 531 CB GLU 82 33.751 -8.302 28.778 1.00 0.00 ATOM 532 CG GLU 82 33.472 -6.807 28.619 1.00 0.00 ATOM 533 CD GLU 82 34.706 -5.946 28.909 1.00 0.00 ATOM 534 OE1 GLU 82 35.725 -6.106 28.200 1.00 0.00 ATOM 535 OE2 GLU 82 34.665 -5.108 29.839 1.00 0.00 ATOM 536 O GLU 82 34.019 -11.064 27.046 1.00 0.00 ATOM 537 C GLU 82 33.388 -10.641 28.014 1.00 0.00 ATOM 538 N GLN 83 33.160 -11.355 29.112 1.00 0.00 ATOM 539 CA GLN 83 33.636 -12.718 29.291 1.00 0.00 ATOM 540 CB GLN 83 33.313 -13.219 30.701 1.00 0.00 ATOM 541 CG GLN 83 33.786 -12.313 31.818 1.00 0.00 ATOM 542 CD GLN 83 35.251 -12.490 32.142 1.00 0.00 ATOM 543 OE1 GLN 83 36.108 -12.444 31.260 1.00 0.00 ATOM 544 NE2 GLN 83 35.550 -12.696 33.420 1.00 0.00 ATOM 545 O GLN 83 33.612 -14.349 27.532 1.00 0.00 ATOM 546 C GLN 83 32.954 -13.621 28.283 1.00 0.00 ATOM 547 N GLU 84 31.625 -13.583 28.272 1.00 0.00 ATOM 548 CA GLU 84 30.853 -14.398 27.339 1.00 0.00 ATOM 549 CB GLU 84 29.360 -14.126 27.486 1.00 0.00 ATOM 550 CG GLU 84 28.687 -14.904 28.597 1.00 0.00 ATOM 551 CD GLU 84 27.337 -14.321 28.966 1.00 0.00 ATOM 552 OE1 GLU 84 26.659 -14.881 29.857 1.00 0.00 ATOM 553 OE2 GLU 84 26.951 -13.293 28.366 1.00 0.00 ATOM 554 O GLU 84 31.579 -15.042 25.150 1.00 0.00 ATOM 555 C GLU 84 31.282 -14.120 25.904 1.00 0.00 ATOM 556 N LEU 85 31.331 -12.849 25.531 1.00 0.00 ATOM 557 CA LEU 85 31.734 -12.483 24.184 1.00 0.00 ATOM 558 CB LEU 85 31.738 -10.963 24.019 1.00 0.00 ATOM 559 CG LEU 85 32.224 -10.498 22.646 1.00 0.00 ATOM 560 CD1 LEU 85 31.524 -11.279 21.557 1.00 0.00 ATOM 561 CD2 LEU 85 31.956 -9.014 22.492 1.00 0.00 ATOM 562 O LEU 85 33.291 -13.583 22.725 1.00 0.00 ATOM 563 C LEU 85 33.112 -13.020 23.808 1.00 0.00 ATOM 564 N THR 86 34.078 -12.845 24.701 1.00 0.00 ATOM 565 CA THR 86 35.437 -13.315 24.446 1.00 0.00 ATOM 566 CB THR 86 36.426 -12.810 25.544 1.00 0.00 ATOM 567 CG2 THR 86 37.877 -13.154 25.170 1.00 0.00 ATOM 568 OG1 THR 86 36.310 -11.388 25.683 1.00 0.00 ATOM 569 O THR 86 36.235 -15.432 23.639 1.00 0.00 ATOM 570 C THR 86 35.486 -14.840 24.412 1.00 0.00 ATOM 571 N SER 87 34.691 -15.466 25.268 1.00 0.00 ATOM 572 CA SER 87 34.640 -16.915 25.342 1.00 0.00 ATOM 573 CB SER 87 33.781 -17.329 26.538 1.00 0.00 ATOM 574 OG SER 87 33.396 -18.686 26.450 1.00 0.00 ATOM 575 O SER 87 34.610 -18.438 23.484 1.00 0.00 ATOM 576 C SER 87 34.063 -17.499 24.053 1.00 0.00 ATOM 577 N LEU 88 32.961 -16.923 23.596 1.00 0.00 ATOM 578 CA LEU 88 32.303 -17.379 22.388 1.00 0.00 ATOM 579 CB LEU 88 30.979 -16.624 22.223 1.00 0.00 ATOM 580 CG LEU 88 30.057 -16.930 21.043 1.00 0.00 ATOM 581 CD1 LEU 88 28.669 -16.398 21.364 1.00 0.00 ATOM 582 CD2 LEU 88 30.603 -16.308 19.763 1.00 0.00 ATOM 583 O LEU 88 33.297 -18.126 20.333 1.00 0.00 ATOM 584 C LEU 88 33.177 -17.211 21.147 1.00 0.00 ATOM 585 N LEU 89 33.783 -16.042 21.005 1.00 0.00 ATOM 586 CA LEU 89 34.630 -15.771 19.852 1.00 0.00 ATOM 587 CB LEU 89 35.222 -14.362 19.947 1.00 0.00 ATOM 588 CG LEU 89 34.228 -13.208 19.842 1.00 0.00 ATOM 589 CD1 LEU 89 34.896 -11.904 20.269 1.00 0.00 ATOM 590 CD2 LEU 89 33.702 -13.121 18.417 1.00 0.00 ATOM 591 O LEU 89 35.972 -17.368 18.684 1.00 0.00 ATOM 592 C LEU 89 35.757 -16.779 19.739 1.00 0.00 ATOM 593 N GLN 90 36.475 -16.977 20.835 1.00 0.00 ATOM 594 CA GLN 90 37.597 -17.902 20.842 1.00 0.00 ATOM 595 CB GLN 90 38.209 -17.952 22.240 1.00 0.00 ATOM 596 CG GLN 90 38.747 -16.598 22.695 1.00 0.00 ATOM 597 CD GLN 90 39.779 -16.721 23.797 1.00 0.00 ATOM 598 OE1 GLN 90 40.338 -15.719 24.258 1.00 0.00 ATOM 599 NE2 GLN 90 40.045 -17.952 24.226 1.00 0.00 ATOM 600 O GLN 90 37.943 -19.895 19.559 1.00 0.00 ATOM 601 C GLN 90 37.223 -19.299 20.353 1.00 0.00 ATOM 602 N SER 91 36.085 -19.803 20.813 1.00 0.00 ATOM 603 CA SER 91 35.627 -21.128 20.426 1.00 0.00 ATOM 604 CB SER 91 34.586 -21.611 21.425 1.00 0.00 ATOM 605 OG SER 91 34.282 -20.583 22.337 1.00 0.00 ATOM 606 O SER 91 34.664 -22.286 18.558 1.00 0.00 ATOM 607 C SER 91 35.044 -21.204 19.015 1.00 0.00 ATOM 608 N LEU 92 34.978 -20.066 18.330 1.00 0.00 ATOM 609 CA LEU 92 34.429 -20.004 16.977 1.00 0.00 ATOM 610 CB LEU 92 34.169 -18.558 16.558 1.00 0.00 ATOM 611 CG LEU 92 32.916 -17.828 17.000 1.00 0.00 ATOM 612 CD1 LEU 92 32.825 -16.522 16.211 1.00 0.00 ATOM 613 CD2 LEU 92 31.695 -18.705 16.754 1.00 0.00 ATOM 614 O LEU 92 36.475 -20.326 15.779 1.00 0.00 ATOM 615 C LEU 92 35.278 -20.606 15.882 1.00 0.00 ATOM 616 N THR 93 34.634 -21.413 15.049 1.00 0.00 ATOM 617 CA THR 93 35.274 -22.028 13.897 1.00 0.00 ATOM 618 CB THR 93 35.516 -23.529 14.104 1.00 0.00 ATOM 619 CG2 THR 93 36.318 -24.097 12.948 1.00 0.00 ATOM 620 OG1 THR 93 36.259 -23.724 15.310 1.00 0.00 ATOM 621 O THR 93 33.093 -22.149 12.927 1.00 0.00 ATOM 622 C THR 93 34.262 -21.803 12.783 1.00 0.00 ATOM 623 N LEU 94 34.697 -21.206 11.679 1.00 0.00 ATOM 624 CA LEU 94 33.778 -20.920 10.587 1.00 0.00 ATOM 625 CB LEU 94 33.628 -19.399 10.425 1.00 0.00 ATOM 626 CG LEU 94 33.207 -18.620 11.681 1.00 0.00 ATOM 627 CD1 LEU 94 33.163 -17.135 11.376 1.00 0.00 ATOM 628 CD2 LEU 94 31.847 -19.103 12.166 1.00 0.00 ATOM 629 O LEU 94 35.374 -21.388 8.874 1.00 0.00 ATOM 630 C LEU 94 34.219 -21.518 9.271 1.00 0.00 ATOM 631 N ARG 95 33.294 -22.192 8.604 1.00 0.00 ATOM 632 CA ARG 95 33.582 -22.768 7.300 1.00 0.00 ATOM 633 CB ARG 95 32.872 -24.105 7.149 1.00 0.00 ATOM 634 CG ARG 95 32.881 -24.642 5.742 1.00 0.00 ATOM 635 CD ARG 95 32.872 -26.157 5.776 1.00 0.00 ATOM 636 NE ARG 95 34.165 -26.701 5.372 1.00 0.00 ATOM 637 CZ ARG 95 34.631 -27.882 5.754 1.00 0.00 ATOM 638 NH1 ARG 95 33.918 -28.652 6.566 1.00 0.00 ATOM 639 NH2 ARG 95 35.807 -28.300 5.302 1.00 0.00 ATOM 640 O ARG 95 31.879 -21.371 6.322 1.00 0.00 ATOM 641 C ARG 95 33.049 -21.753 6.287 1.00 0.00 ATOM 642 N VAL 96 33.902 -21.287 5.394 1.00 0.00 ATOM 643 CA VAL 96 33.446 -20.309 4.427 1.00 0.00 ATOM 644 CB VAL 96 34.068 -18.915 4.707 1.00 0.00 ATOM 645 CG1 VAL 96 33.859 -17.979 3.530 1.00 0.00 ATOM 646 CG2 VAL 96 33.419 -18.314 5.945 1.00 0.00 ATOM 647 O VAL 96 34.786 -21.122 2.606 1.00 0.00 ATOM 648 C VAL 96 33.697 -20.698 2.981 1.00 0.00 ATOM 649 N ASP 97 32.647 -20.562 2.182 1.00 0.00 ATOM 650 CA ASP 97 32.686 -20.837 0.752 1.00 0.00 ATOM 651 CB ASP 97 31.341 -21.377 0.272 1.00 0.00 ATOM 652 CG ASP 97 31.205 -22.870 0.428 1.00 0.00 ATOM 653 OD1 ASP 97 30.068 -23.353 0.224 1.00 0.00 ATOM 654 OD2 ASP 97 32.205 -23.559 0.730 1.00 0.00 ATOM 655 O ASP 97 32.227 -18.522 0.384 1.00 0.00 ATOM 656 C ASP 97 32.896 -19.501 0.050 1.00 0.00 ATOM 657 N VAL 98 33.808 -19.459 -0.915 1.00 0.00 ATOM 658 CA VAL 98 34.047 -18.229 -1.661 1.00 0.00 ATOM 659 CB VAL 98 35.358 -17.501 -1.198 1.00 0.00 ATOM 660 CG1 VAL 98 35.202 -17.014 0.231 1.00 0.00 ATOM 661 CG2 VAL 98 36.557 -18.423 -1.306 1.00 0.00 ATOM 662 O VAL 98 34.696 -19.563 -3.557 1.00 0.00 ATOM 663 C VAL 98 34.123 -18.549 -3.156 1.00 0.00 ATOM 664 N SER 99 33.533 -17.684 -3.971 1.00 0.00 ATOM 665 CA SER 99 33.516 -17.890 -5.407 1.00 0.00 ATOM 666 CB SER 99 32.150 -18.422 -5.838 1.00 0.00 ATOM 667 OG SER 99 32.059 -18.511 -7.251 1.00 0.00 ATOM 668 O SER 99 33.417 -15.550 -5.789 1.00 0.00 ATOM 669 C SER 99 33.806 -16.636 -6.194 1.00 0.00 ATOM 670 N MET 100 34.485 -16.801 -7.328 1.00 0.00 ATOM 671 CA MET 100 34.790 -15.683 -8.213 1.00 0.00 ATOM 672 CB MET 100 35.643 -16.138 -9.399 1.00 0.00 ATOM 673 CG MET 100 37.120 -16.261 -9.120 1.00 0.00 ATOM 674 SD MET 100 37.988 -14.547 -8.815 1.00 0.00 ATOM 675 CE MET 100 38.051 -13.911 -10.649 1.00 0.00 ATOM 676 O MET 100 33.361 -13.964 -9.098 1.00 0.00 ATOM 677 C MET 100 33.466 -15.134 -8.747 1.00 0.00 ATOM 678 N GLU 101 32.445 -15.979 -8.806 1.00 0.00 ATOM 679 CA GLU 101 31.188 -15.502 -9.315 1.00 0.00 ATOM 680 CB GLU 101 30.457 -16.622 -10.088 1.00 0.00 ATOM 681 CG GLU 101 29.815 -17.723 -9.277 1.00 0.00 ATOM 682 CD GLU 101 29.094 -18.754 -10.157 1.00 0.00 ATOM 683 OE1 GLU 101 28.241 -19.493 -9.618 1.00 0.00 ATOM 684 OE2 GLU 101 29.383 -18.833 -11.375 1.00 0.00 ATOM 685 O GLU 101 29.189 -14.485 -8.492 1.00 0.00 ATOM 686 C GLU 101 30.326 -14.848 -8.236 1.00 0.00 ATOM 687 N GLU 102 30.894 -14.663 -7.044 1.00 0.00 ATOM 688 CA GLU 102 30.186 -14.006 -5.942 1.00 0.00 ATOM 689 CB GLU 102 30.412 -14.732 -4.629 1.00 0.00 ATOM 690 CG GLU 102 29.642 -16.003 -4.473 1.00 0.00 ATOM 691 CD GLU 102 29.708 -16.492 -3.053 1.00 0.00 ATOM 692 OE1 GLU 102 30.836 -16.588 -2.514 1.00 0.00 ATOM 693 OE2 GLU 102 28.635 -16.763 -2.480 1.00 0.00 ATOM 694 O GLU 102 30.190 -11.901 -4.814 1.00 0.00 ATOM 695 C GLU 102 30.630 -12.560 -5.748 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 T0300.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.528 # GDT_score = -27.528 # GDT_score(maxd=8.000,maxw=2.900)= -27.436 # GDT_score(maxd=8.000,maxw=3.200)= -27.063 # GDT_score(maxd=8.000,maxw=3.500)= -26.651 # GDT_score(maxd=10.000,maxw=3.800)= -27.127 # GDT_score(maxd=10.000,maxw=4.000)= -26.789 # GDT_score(maxd=10.000,maxw=4.200)= -26.473 # GDT_score(maxd=12.000,maxw=4.300)= -27.142 # GDT_score(maxd=12.000,maxw=4.500)= -26.822 # GDT_score(maxd=12.000,maxw=4.700)= -26.464 # GDT_score(maxd=14.000,maxw=5.200)= -26.379 # GDT_score(maxd=14.000,maxw=5.500)= -25.746 # command:# ReadConformPDB reading from PDB file T0300.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.562 # GDT_score = -21.348 # GDT_score(maxd=8.000,maxw=2.900)= -20.256 # GDT_score(maxd=8.000,maxw=3.200)= -20.042 # GDT_score(maxd=8.000,maxw=3.500)= -19.801 # GDT_score(maxd=10.000,maxw=3.800)= -20.655 # GDT_score(maxd=10.000,maxw=4.000)= -20.465 # GDT_score(maxd=10.000,maxw=4.200)= -20.293 # GDT_score(maxd=12.000,maxw=4.300)= -21.508 # GDT_score(maxd=12.000,maxw=4.500)= -21.301 # GDT_score(maxd=12.000,maxw=4.700)= -21.082 # GDT_score(maxd=14.000,maxw=5.200)= -21.616 # GDT_score(maxd=14.000,maxw=5.500)= -21.084 # command:# ReadConformPDB reading from PDB file T0300.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0300.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0300.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0300 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 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 1 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 10 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try9-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0300.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0300.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file georgesuggestion.renum.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotate5monomer.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotate5monomerFixed2.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry2attempt1.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry2attempt2.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry3attempt1.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry3attempt2.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry3attempt3.fix.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateFromTry3attempt3.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotateNterm2FromTry3.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0300.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-rotate5.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-rotate5 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-rotate5fixed.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-rotate5fixed # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-rotateNterm2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-rotateNterm2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-try3-1jm0A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-try3-1jm0A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer.flipped180.renum.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer.flipped180.renum # ReadConformPDB reading from PDB file ../dimer/decoys/dimer.rot5.renum.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//dimer.rot5.renum # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_22989778.pdb -s /var/tmp/to_scwrl_22989778.seq -o /var/tmp/from_scwrl_22989778.pdb > /var/tmp/scwrl_22989778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_22989778.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 T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_805607629.pdb -s /var/tmp/to_scwrl_805607629.seq -o /var/tmp/from_scwrl_805607629.pdb > /var/tmp/scwrl_805607629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_805607629.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 T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_692654029.pdb -s /var/tmp/to_scwrl_692654029.seq -o /var/tmp/from_scwrl_692654029.pdb > /var/tmp/scwrl_692654029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_692654029.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_87472245.pdb -s /var/tmp/to_scwrl_87472245.seq -o /var/tmp/from_scwrl_87472245.pdb > /var/tmp/scwrl_87472245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_87472245.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 T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1245213433.pdb -s /var/tmp/to_scwrl_1245213433.seq -o /var/tmp/from_scwrl_1245213433.pdb > /var/tmp/scwrl_1245213433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245213433.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 T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_440008654.pdb -s /var/tmp/to_scwrl_440008654.seq -o /var/tmp/from_scwrl_440008654.pdb > /var/tmp/scwrl_440008654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440008654.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_681088481.pdb -s /var/tmp/to_scwrl_681088481.seq -o /var/tmp/from_scwrl_681088481.pdb > /var/tmp/scwrl_681088481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681088481.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_41819824.pdb -s /var/tmp/to_scwrl_41819824.seq -o /var/tmp/from_scwrl_41819824.pdb > /var/tmp/scwrl_41819824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_41819824.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 101 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1608299185.pdb -s /var/tmp/to_scwrl_1608299185.seq -o /var/tmp/from_scwrl_1608299185.pdb > /var/tmp/scwrl_1608299185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608299185.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 94 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1608005554.pdb -s /var/tmp/to_scwrl_1608005554.seq -o /var/tmp/from_scwrl_1608005554.pdb > /var/tmp/scwrl_1608005554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608005554.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 77 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_647047098.pdb -s /var/tmp/to_scwrl_647047098.seq -o /var/tmp/from_scwrl_647047098.pdb > /var/tmp/scwrl_647047098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_647047098.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 37 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1269509005.pdb -s /var/tmp/to_scwrl_1269509005.seq -o /var/tmp/from_scwrl_1269509005.pdb > /var/tmp/scwrl_1269509005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1269509005.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 101 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1396189298.pdb -s /var/tmp/to_scwrl_1396189298.seq -o /var/tmp/from_scwrl_1396189298.pdb > /var/tmp/scwrl_1396189298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1396189298.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 94 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_373701306.pdb -s /var/tmp/to_scwrl_373701306.seq -o /var/tmp/from_scwrl_373701306.pdb > /var/tmp/scwrl_373701306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373701306.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 92 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_190890259.pdb -s /var/tmp/to_scwrl_190890259.seq -o /var/tmp/from_scwrl_190890259.pdb > /var/tmp/scwrl_190890259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_190890259.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 96 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1078304124.pdb -s /var/tmp/to_scwrl_1078304124.seq -o /var/tmp/from_scwrl_1078304124.pdb > /var/tmp/scwrl_1078304124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1078304124.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 93 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1911068712.pdb -s /var/tmp/to_scwrl_1911068712.seq -o /var/tmp/from_scwrl_1911068712.pdb > /var/tmp/scwrl_1911068712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1911068712.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 96 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1705101565.pdb -s /var/tmp/to_scwrl_1705101565.seq -o /var/tmp/from_scwrl_1705101565.pdb > /var/tmp/scwrl_1705101565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1705101565.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 41 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_565669456.pdb -s /var/tmp/to_scwrl_565669456.seq -o /var/tmp/from_scwrl_565669456.pdb > /var/tmp/scwrl_565669456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_565669456.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1573207564.pdb -s /var/tmp/to_scwrl_1573207564.seq -o /var/tmp/from_scwrl_1573207564.pdb > /var/tmp/scwrl_1573207564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1573207564.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_135001226.pdb -s /var/tmp/to_scwrl_135001226.seq -o /var/tmp/from_scwrl_135001226.pdb > /var/tmp/scwrl_135001226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_135001226.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1570934846.pdb -s /var/tmp/to_scwrl_1570934846.seq -o /var/tmp/from_scwrl_1570934846.pdb > /var/tmp/scwrl_1570934846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1570934846.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_298779278.pdb -s /var/tmp/to_scwrl_298779278.seq -o /var/tmp/from_scwrl_298779278.pdb > /var/tmp/scwrl_298779278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298779278.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 96 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_632400123.pdb -s /var/tmp/to_scwrl_632400123.seq -o /var/tmp/from_scwrl_632400123.pdb > /var/tmp/scwrl_632400123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_632400123.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 T0300 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1051391528.pdb -s /var/tmp/to_scwrl_1051391528.seq -o /var/tmp/from_scwrl_1051391528.pdb > /var/tmp/scwrl_1051391528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1051391528.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 # Found a chain break before 12 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_849288154.pdb -s /var/tmp/to_scwrl_849288154.seq -o /var/tmp/from_scwrl_849288154.pdb > /var/tmp/scwrl_849288154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_849288154.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 T0300 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_894726084.pdb -s /var/tmp/to_scwrl_894726084.seq -o /var/tmp/from_scwrl_894726084.pdb > /var/tmp/scwrl_894726084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_894726084.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 T0300 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_24697588.pdb -s /var/tmp/to_scwrl_24697588.seq -o /var/tmp/from_scwrl_24697588.pdb > /var/tmp/scwrl_24697588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24697588.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 T0300 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_558145576.pdb -s /var/tmp/to_scwrl_558145576.seq -o /var/tmp/from_scwrl_558145576.pdb > /var/tmp/scwrl_558145576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558145576.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 T0300 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_259212687.pdb -s /var/tmp/to_scwrl_259212687.seq -o /var/tmp/from_scwrl_259212687.pdb > /var/tmp/scwrl_259212687.log Error: can't open any of /var/tmp/from_scwrl_259212687.pdb or /var/tmp/from_scwrl_259212687_b.pdb or /var/tmp/from_scwrl_259212687_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 T0300 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_236447526.pdb -s /var/tmp/to_scwrl_236447526.seq -o /var/tmp/from_scwrl_236447526.pdb > /var/tmp/scwrl_236447526.log Error: can't open any of /var/tmp/from_scwrl_236447526.pdb or /var/tmp/from_scwrl_236447526_b.pdb or /var/tmp/from_scwrl_236447526_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 T0300 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_581135354.pdb -s /var/tmp/to_scwrl_581135354.seq -o /var/tmp/from_scwrl_581135354.pdb > /var/tmp/scwrl_581135354.log Error: can't open any of /var/tmp/from_scwrl_581135354.pdb or /var/tmp/from_scwrl_581135354_b.pdb or /var/tmp/from_scwrl_581135354_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 T0300 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1064820316.pdb -s /var/tmp/to_scwrl_1064820316.seq -o /var/tmp/from_scwrl_1064820316.pdb > /var/tmp/scwrl_1064820316.log Error: can't open any of /var/tmp/from_scwrl_1064820316.pdb or /var/tmp/from_scwrl_1064820316_b.pdb or /var/tmp/from_scwrl_1064820316_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 T0300 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_929101556.pdb -s /var/tmp/to_scwrl_929101556.seq -o /var/tmp/from_scwrl_929101556.pdb > /var/tmp/scwrl_929101556.log Error: can't open any of /var/tmp/from_scwrl_929101556.pdb or /var/tmp/from_scwrl_929101556_b.pdb or /var/tmp/from_scwrl_929101556_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 99 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_668607599.pdb -s /var/tmp/to_scwrl_668607599.seq -o /var/tmp/from_scwrl_668607599.pdb > /var/tmp/scwrl_668607599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_668607599.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_162550102.pdb -s /var/tmp/to_scwrl_162550102.seq -o /var/tmp/from_scwrl_162550102.pdb > /var/tmp/scwrl_162550102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_162550102.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1369110209.pdb -s /var/tmp/to_scwrl_1369110209.seq -o /var/tmp/from_scwrl_1369110209.pdb > /var/tmp/scwrl_1369110209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1369110209.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 T0300 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1349696079.pdb -s /var/tmp/to_scwrl_1349696079.seq -o /var/tmp/from_scwrl_1349696079.pdb > /var/tmp/scwrl_1349696079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349696079.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 T0300 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_204369927.pdb -s /var/tmp/to_scwrl_204369927.seq -o /var/tmp/from_scwrl_204369927.pdb > /var/tmp/scwrl_204369927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204369927.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 97 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_829925748.pdb -s /var/tmp/to_scwrl_829925748.seq -o /var/tmp/from_scwrl_829925748.pdb > /var/tmp/scwrl_829925748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_829925748.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 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_810217987.pdb -s /var/tmp/to_scwrl_810217987.seq -o /var/tmp/from_scwrl_810217987.pdb > /var/tmp/scwrl_810217987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_810217987.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_851417025.pdb -s /var/tmp/to_scwrl_851417025.seq -o /var/tmp/from_scwrl_851417025.pdb > /var/tmp/scwrl_851417025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851417025.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 T0300 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2099434753.pdb -s /var/tmp/to_scwrl_2099434753.seq -o /var/tmp/from_scwrl_2099434753.pdb > /var/tmp/scwrl_2099434753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099434753.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_58923638.pdb -s /var/tmp/to_scwrl_58923638.seq -o /var/tmp/from_scwrl_58923638.pdb > /var/tmp/scwrl_58923638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_58923638.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 # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1225118331.pdb -s /var/tmp/to_scwrl_1225118331.seq -o /var/tmp/from_scwrl_1225118331.pdb > /var/tmp/scwrl_1225118331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1225118331.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 63 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_142841365.pdb -s /var/tmp/to_scwrl_142841365.seq -o /var/tmp/from_scwrl_142841365.pdb > /var/tmp/scwrl_142841365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142841365.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 34 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1137227762.pdb -s /var/tmp/to_scwrl_1137227762.seq -o /var/tmp/from_scwrl_1137227762.pdb > /var/tmp/scwrl_1137227762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137227762.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_988703397.pdb -s /var/tmp/to_scwrl_988703397.seq -o /var/tmp/from_scwrl_988703397.pdb > /var/tmp/scwrl_988703397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_988703397.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 # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1847942930.pdb -s /var/tmp/to_scwrl_1847942930.seq -o /var/tmp/from_scwrl_1847942930.pdb > /var/tmp/scwrl_1847942930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1847942930.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1702897219.pdb -s /var/tmp/to_scwrl_1702897219.seq -o /var/tmp/from_scwrl_1702897219.pdb > /var/tmp/scwrl_1702897219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702897219.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_414427315.pdb -s /var/tmp/to_scwrl_414427315.seq -o /var/tmp/from_scwrl_414427315.pdb > /var/tmp/scwrl_414427315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_414427315.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1982944156.pdb -s /var/tmp/to_scwrl_1982944156.seq -o /var/tmp/from_scwrl_1982944156.pdb > /var/tmp/scwrl_1982944156.log Error: can't open any of /var/tmp/from_scwrl_1982944156.pdb or /var/tmp/from_scwrl_1982944156_b.pdb or /var/tmp/from_scwrl_1982944156_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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1126348418.pdb -s /var/tmp/to_scwrl_1126348418.seq -o /var/tmp/from_scwrl_1126348418.pdb > /var/tmp/scwrl_1126348418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1126348418.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_713206593.pdb -s /var/tmp/to_scwrl_713206593.seq -o /var/tmp/from_scwrl_713206593.pdb > /var/tmp/scwrl_713206593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_713206593.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_467860632.pdb -s /var/tmp/to_scwrl_467860632.seq -o /var/tmp/from_scwrl_467860632.pdb > /var/tmp/scwrl_467860632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467860632.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_30256299.pdb -s /var/tmp/to_scwrl_30256299.seq -o /var/tmp/from_scwrl_30256299.pdb > /var/tmp/scwrl_30256299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_30256299.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1562494746.pdb -s /var/tmp/to_scwrl_1562494746.seq -o /var/tmp/from_scwrl_1562494746.pdb > /var/tmp/scwrl_1562494746.log Error: can't open any of /var/tmp/from_scwrl_1562494746.pdb or /var/tmp/from_scwrl_1562494746_b.pdb or /var/tmp/from_scwrl_1562494746_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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1362586715.pdb -s /var/tmp/to_scwrl_1362586715.seq -o /var/tmp/from_scwrl_1362586715.pdb > /var/tmp/scwrl_1362586715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1362586715.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 T0300 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_54953887.pdb -s /var/tmp/to_scwrl_54953887.seq -o /var/tmp/from_scwrl_54953887.pdb > /var/tmp/scwrl_54953887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_54953887.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 91 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2120640322.pdb -s /var/tmp/to_scwrl_2120640322.seq -o /var/tmp/from_scwrl_2120640322.pdb > /var/tmp/scwrl_2120640322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2120640322.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 # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1621799402.pdb -s /var/tmp/to_scwrl_1621799402.seq -o /var/tmp/from_scwrl_1621799402.pdb > /var/tmp/scwrl_1621799402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621799402.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 # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_291401414.pdb -s /var/tmp/to_scwrl_291401414.seq -o /var/tmp/from_scwrl_291401414.pdb > /var/tmp/scwrl_291401414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_291401414.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 100 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_554292029.pdb -s /var/tmp/to_scwrl_554292029.seq -o /var/tmp/from_scwrl_554292029.pdb > /var/tmp/scwrl_554292029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_554292029.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 94 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_539136071.pdb -s /var/tmp/to_scwrl_539136071.seq -o /var/tmp/from_scwrl_539136071.pdb > /var/tmp/scwrl_539136071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_539136071.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 21 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1220502969.pdb -s /var/tmp/to_scwrl_1220502969.seq -o /var/tmp/from_scwrl_1220502969.pdb > /var/tmp/scwrl_1220502969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1220502969.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1222899627.pdb -s /var/tmp/to_scwrl_1222899627.seq -o /var/tmp/from_scwrl_1222899627.pdb > /var/tmp/scwrl_1222899627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1222899627.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_701686174.pdb -s /var/tmp/to_scwrl_701686174.seq -o /var/tmp/from_scwrl_701686174.pdb > /var/tmp/scwrl_701686174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701686174.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_442129532.pdb -s /var/tmp/to_scwrl_442129532.seq -o /var/tmp/from_scwrl_442129532.pdb > /var/tmp/scwrl_442129532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442129532.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_425112060.pdb -s /var/tmp/to_scwrl_425112060.seq -o /var/tmp/from_scwrl_425112060.pdb > /var/tmp/scwrl_425112060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425112060.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_906056101.pdb -s /var/tmp/to_scwrl_906056101.seq -o /var/tmp/from_scwrl_906056101.pdb > /var/tmp/scwrl_906056101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906056101.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 T0300 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1272055279.pdb -s /var/tmp/to_scwrl_1272055279.seq -o /var/tmp/from_scwrl_1272055279.pdb > /var/tmp/scwrl_1272055279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1272055279.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 T0300 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1235330046.pdb -s /var/tmp/to_scwrl_1235330046.seq -o /var/tmp/from_scwrl_1235330046.pdb > /var/tmp/scwrl_1235330046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235330046.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1757473125.pdb -s /var/tmp/to_scwrl_1757473125.seq -o /var/tmp/from_scwrl_1757473125.pdb > /var/tmp/scwrl_1757473125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757473125.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 T0300 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1224006385.pdb -s /var/tmp/to_scwrl_1224006385.seq -o /var/tmp/from_scwrl_1224006385.pdb > /var/tmp/scwrl_1224006385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224006385.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 94 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1294253684.pdb -s /var/tmp/to_scwrl_1294253684.seq -o /var/tmp/from_scwrl_1294253684.pdb > /var/tmp/scwrl_1294253684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1294253684.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 97 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_835107810.pdb -s /var/tmp/to_scwrl_835107810.seq -o /var/tmp/from_scwrl_835107810.pdb > /var/tmp/scwrl_835107810.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_835107810.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 97 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1366847750.pdb -s /var/tmp/to_scwrl_1366847750.seq -o /var/tmp/from_scwrl_1366847750.pdb > /var/tmp/scwrl_1366847750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1366847750.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 99 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_283997800.pdb -s /var/tmp/to_scwrl_283997800.seq -o /var/tmp/from_scwrl_283997800.pdb > /var/tmp/scwrl_283997800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283997800.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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1823811207.pdb -s /var/tmp/to_scwrl_1823811207.seq -o /var/tmp/from_scwrl_1823811207.pdb > /var/tmp/scwrl_1823811207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1823811207.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 67 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1067307035.pdb -s /var/tmp/to_scwrl_1067307035.seq -o /var/tmp/from_scwrl_1067307035.pdb > /var/tmp/scwrl_1067307035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067307035.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 # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1986895019.pdb -s /var/tmp/to_scwrl_1986895019.seq -o /var/tmp/from_scwrl_1986895019.pdb > /var/tmp/scwrl_1986895019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1986895019.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 53 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_90754875.pdb -s /var/tmp/to_scwrl_90754875.seq -o /var/tmp/from_scwrl_90754875.pdb > /var/tmp/scwrl_90754875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_90754875.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_902767544.pdb -s /var/tmp/to_scwrl_902767544.seq -o /var/tmp/from_scwrl_902767544.pdb > /var/tmp/scwrl_902767544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902767544.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_965759791.pdb -s /var/tmp/to_scwrl_965759791.seq -o /var/tmp/from_scwrl_965759791.pdb > /var/tmp/scwrl_965759791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_965759791.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_803961468.pdb -s /var/tmp/to_scwrl_803961468.seq -o /var/tmp/from_scwrl_803961468.pdb > /var/tmp/scwrl_803961468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803961468.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 31 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1370628176.pdb -s /var/tmp/to_scwrl_1370628176.seq -o /var/tmp/from_scwrl_1370628176.pdb > /var/tmp/scwrl_1370628176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1370628176.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 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_996016090.pdb -s /var/tmp/to_scwrl_996016090.seq -o /var/tmp/from_scwrl_996016090.pdb > /var/tmp/scwrl_996016090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_996016090.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 T0300 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_218972567.pdb -s /var/tmp/to_scwrl_218972567.seq -o /var/tmp/from_scwrl_218972567.pdb > /var/tmp/scwrl_218972567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_218972567.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 T0300 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_585731245.pdb -s /var/tmp/to_scwrl_585731245.seq -o /var/tmp/from_scwrl_585731245.pdb > /var/tmp/scwrl_585731245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585731245.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 T0300 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1050969978.pdb -s /var/tmp/to_scwrl_1050969978.seq -o /var/tmp/from_scwrl_1050969978.pdb > /var/tmp/scwrl_1050969978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050969978.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 T0300 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_192129242.pdb -s /var/tmp/to_scwrl_192129242.seq -o /var/tmp/from_scwrl_192129242.pdb > /var/tmp/scwrl_192129242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192129242.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 T0300 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_60047001.pdb -s /var/tmp/to_scwrl_60047001.seq -o /var/tmp/from_scwrl_60047001.pdb > /var/tmp/scwrl_60047001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_60047001.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 T0300 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1342371391.pdb -s /var/tmp/to_scwrl_1342371391.seq -o /var/tmp/from_scwrl_1342371391.pdb > /var/tmp/scwrl_1342371391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1342371391.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 T0300 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_746421271.pdb -s /var/tmp/to_scwrl_746421271.seq -o /var/tmp/from_scwrl_746421271.pdb > /var/tmp/scwrl_746421271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746421271.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 T0300 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_599183072.pdb -s /var/tmp/to_scwrl_599183072.seq -o /var/tmp/from_scwrl_599183072.pdb > /var/tmp/scwrl_599183072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_599183072.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 T0300 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_415390714.pdb -s /var/tmp/to_scwrl_415390714.seq -o /var/tmp/from_scwrl_415390714.pdb > /var/tmp/scwrl_415390714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_415390714.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 T0300 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1969320898.pdb -s /var/tmp/to_scwrl_1969320898.seq -o /var/tmp/from_scwrl_1969320898.pdb > /var/tmp/scwrl_1969320898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1969320898.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1300869245.pdb -s /var/tmp/to_scwrl_1300869245.seq -o /var/tmp/from_scwrl_1300869245.pdb > /var/tmp/scwrl_1300869245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300869245.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_857520246.pdb -s /var/tmp/to_scwrl_857520246.seq -o /var/tmp/from_scwrl_857520246.pdb > /var/tmp/scwrl_857520246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857520246.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 # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_246949311.pdb -s /var/tmp/to_scwrl_246949311.seq -o /var/tmp/from_scwrl_246949311.pdb > /var/tmp/scwrl_246949311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246949311.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 65 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_59441699.pdb -s /var/tmp/to_scwrl_59441699.seq -o /var/tmp/from_scwrl_59441699.pdb > /var/tmp/scwrl_59441699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_59441699.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 24 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2129575525.pdb -s /var/tmp/to_scwrl_2129575525.seq -o /var/tmp/from_scwrl_2129575525.pdb > /var/tmp/scwrl_2129575525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2129575525.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 # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1482279357.pdb -s /var/tmp/to_scwrl_1482279357.seq -o /var/tmp/from_scwrl_1482279357.pdb > /var/tmp/scwrl_1482279357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1482279357.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1816914825.pdb -s /var/tmp/to_scwrl_1816914825.seq -o /var/tmp/from_scwrl_1816914825.pdb > /var/tmp/scwrl_1816914825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1816914825.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1206098263.pdb -s /var/tmp/to_scwrl_1206098263.seq -o /var/tmp/from_scwrl_1206098263.pdb > /var/tmp/scwrl_1206098263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1206098263.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_629049395.pdb -s /var/tmp/to_scwrl_629049395.seq -o /var/tmp/from_scwrl_629049395.pdb > /var/tmp/scwrl_629049395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629049395.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_504538988.pdb -s /var/tmp/to_scwrl_504538988.seq -o /var/tmp/from_scwrl_504538988.pdb > /var/tmp/scwrl_504538988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504538988.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 101 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_425462367.pdb -s /var/tmp/to_scwrl_425462367.seq -o /var/tmp/from_scwrl_425462367.pdb > /var/tmp/scwrl_425462367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425462367.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 T0300 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_913047195.pdb -s /var/tmp/to_scwrl_913047195.seq -o /var/tmp/from_scwrl_913047195.pdb > /var/tmp/scwrl_913047195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_913047195.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 101 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_180866548.pdb -s /var/tmp/to_scwrl_180866548.seq -o /var/tmp/from_scwrl_180866548.pdb > /var/tmp/scwrl_180866548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_180866548.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 92 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1492769401.pdb -s /var/tmp/to_scwrl_1492769401.seq -o /var/tmp/from_scwrl_1492769401.pdb > /var/tmp/scwrl_1492769401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1492769401.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 97 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_752458568.pdb -s /var/tmp/to_scwrl_752458568.seq -o /var/tmp/from_scwrl_752458568.pdb > /var/tmp/scwrl_752458568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_752458568.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_271621423.pdb -s /var/tmp/to_scwrl_271621423.seq -o /var/tmp/from_scwrl_271621423.pdb > /var/tmp/scwrl_271621423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271621423.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_248053299.pdb -s /var/tmp/to_scwrl_248053299.seq -o /var/tmp/from_scwrl_248053299.pdb > /var/tmp/scwrl_248053299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_248053299.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 92 ; scwrl -i /var/tmp/to_scwrl_1718218358.pdb -s /var/tmp/to_scwrl_1718218358.seq -o /var/tmp/from_scwrl_1718218358.pdb > /var/tmp/scwrl_1718218358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718218358.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 92 ; scwrl -i /var/tmp/to_scwrl_1075582890.pdb -s /var/tmp/to_scwrl_1075582890.seq -o /var/tmp/from_scwrl_1075582890.pdb > /var/tmp/scwrl_1075582890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1075582890.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 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1618681475.pdb -s /var/tmp/to_scwrl_1618681475.seq -o /var/tmp/from_scwrl_1618681475.pdb > /var/tmp/scwrl_1618681475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1618681475.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 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_566750802.pdb -s /var/tmp/to_scwrl_566750802.seq -o /var/tmp/from_scwrl_566750802.pdb > /var/tmp/scwrl_566750802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_566750802.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 92 ; scwrl -i /var/tmp/to_scwrl_1294555457.pdb -s /var/tmp/to_scwrl_1294555457.seq -o /var/tmp/from_scwrl_1294555457.pdb > /var/tmp/scwrl_1294555457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1294555457.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 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_56929073.pdb -s /var/tmp/to_scwrl_56929073.seq -o /var/tmp/from_scwrl_56929073.pdb > /var/tmp/scwrl_56929073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56929073.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 60 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1617720779.pdb -s /var/tmp/to_scwrl_1617720779.seq -o /var/tmp/from_scwrl_1617720779.pdb > /var/tmp/scwrl_1617720779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617720779.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 82 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1486684699.pdb -s /var/tmp/to_scwrl_1486684699.seq -o /var/tmp/from_scwrl_1486684699.pdb > /var/tmp/scwrl_1486684699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1486684699.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_116976074.pdb -s /var/tmp/to_scwrl_116976074.seq -o /var/tmp/from_scwrl_116976074.pdb > /var/tmp/scwrl_116976074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_116976074.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 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_812608524.pdb -s /var/tmp/to_scwrl_812608524.seq -o /var/tmp/from_scwrl_812608524.pdb > /var/tmp/scwrl_812608524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_812608524.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 76 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_85622323.pdb -s /var/tmp/to_scwrl_85622323.seq -o /var/tmp/from_scwrl_85622323.pdb > /var/tmp/scwrl_85622323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85622323.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 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_716159147.pdb -s /var/tmp/to_scwrl_716159147.seq -o /var/tmp/from_scwrl_716159147.pdb > /var/tmp/scwrl_716159147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_716159147.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 T0300 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1227999237.pdb -s /var/tmp/to_scwrl_1227999237.seq -o /var/tmp/from_scwrl_1227999237.pdb > /var/tmp/scwrl_1227999237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1227999237.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2054943221.pdb -s /var/tmp/to_scwrl_2054943221.seq -o /var/tmp/from_scwrl_2054943221.pdb > /var/tmp/scwrl_2054943221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054943221.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2017028392.pdb -s /var/tmp/to_scwrl_2017028392.seq -o /var/tmp/from_scwrl_2017028392.pdb > /var/tmp/scwrl_2017028392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017028392.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 T0300 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2085519483.pdb -s /var/tmp/to_scwrl_2085519483.seq -o /var/tmp/from_scwrl_2085519483.pdb > /var/tmp/scwrl_2085519483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2085519483.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 T0300 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 92 ; scwrl -i /var/tmp/to_scwrl_154408885.pdb -s /var/tmp/to_scwrl_154408885.seq -o /var/tmp/from_scwrl_154408885.pdb > /var/tmp/scwrl_154408885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_154408885.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 T0300 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 92 ; scwrl -i /var/tmp/to_scwrl_2076470092.pdb -s /var/tmp/to_scwrl_2076470092.seq -o /var/tmp/from_scwrl_2076470092.pdb > /var/tmp/scwrl_2076470092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076470092.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 # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2067611361.pdb -s /var/tmp/to_scwrl_2067611361.seq -o /var/tmp/from_scwrl_2067611361.pdb > /var/tmp/scwrl_2067611361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067611361.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 T0300 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 92 ; scwrl -i /var/tmp/to_scwrl_1636688242.pdb -s /var/tmp/to_scwrl_1636688242.seq -o /var/tmp/from_scwrl_1636688242.pdb > /var/tmp/scwrl_1636688242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636688242.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1745901270.pdb -s /var/tmp/to_scwrl_1745901270.seq -o /var/tmp/from_scwrl_1745901270.pdb > /var/tmp/scwrl_1745901270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1745901270.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 # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1126225977.pdb -s /var/tmp/to_scwrl_1126225977.seq -o /var/tmp/from_scwrl_1126225977.pdb > /var/tmp/scwrl_1126225977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1126225977.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_118253990.pdb -s /var/tmp/to_scwrl_118253990.seq -o /var/tmp/from_scwrl_118253990.pdb > /var/tmp/scwrl_118253990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_118253990.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_102956611.pdb -s /var/tmp/to_scwrl_102956611.seq -o /var/tmp/from_scwrl_102956611.pdb > /var/tmp/scwrl_102956611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102956611.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 91 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1551688344.pdb -s /var/tmp/to_scwrl_1551688344.seq -o /var/tmp/from_scwrl_1551688344.pdb > /var/tmp/scwrl_1551688344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1551688344.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 T0300 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1031301186.pdb -s /var/tmp/to_scwrl_1031301186.seq -o /var/tmp/from_scwrl_1031301186.pdb > /var/tmp/scwrl_1031301186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031301186.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 9 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_283823160.pdb -s /var/tmp/to_scwrl_283823160.seq -o /var/tmp/from_scwrl_283823160.pdb > /var/tmp/scwrl_283823160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283823160.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 32 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_896974100.pdb -s /var/tmp/to_scwrl_896974100.seq -o /var/tmp/from_scwrl_896974100.pdb > /var/tmp/scwrl_896974100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_896974100.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 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1783759753.pdb -s /var/tmp/to_scwrl_1783759753.seq -o /var/tmp/from_scwrl_1783759753.pdb > /var/tmp/scwrl_1783759753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1783759753.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 52 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_555444583.pdb -s /var/tmp/to_scwrl_555444583.seq -o /var/tmp/from_scwrl_555444583.pdb > /var/tmp/scwrl_555444583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_555444583.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 43 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1145027398.pdb -s /var/tmp/to_scwrl_1145027398.seq -o /var/tmp/from_scwrl_1145027398.pdb > /var/tmp/scwrl_1145027398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145027398.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 85 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1354494464.pdb -s /var/tmp/to_scwrl_1354494464.seq -o /var/tmp/from_scwrl_1354494464.pdb > /var/tmp/scwrl_1354494464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1354494464.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 67 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1631027474.pdb -s /var/tmp/to_scwrl_1631027474.seq -o /var/tmp/from_scwrl_1631027474.pdb > /var/tmp/scwrl_1631027474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631027474.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_616225227.pdb -s /var/tmp/to_scwrl_616225227.seq -o /var/tmp/from_scwrl_616225227.pdb > /var/tmp/scwrl_616225227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616225227.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 # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1921245266.pdb -s /var/tmp/to_scwrl_1921245266.seq -o /var/tmp/from_scwrl_1921245266.pdb > /var/tmp/scwrl_1921245266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1921245266.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 99 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_778099285.pdb -s /var/tmp/to_scwrl_778099285.seq -o /var/tmp/from_scwrl_778099285.pdb > /var/tmp/scwrl_778099285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778099285.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 75 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_673154300.pdb -s /var/tmp/to_scwrl_673154300.seq -o /var/tmp/from_scwrl_673154300.pdb > /var/tmp/scwrl_673154300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_673154300.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 9 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1391482398.pdb -s /var/tmp/to_scwrl_1391482398.seq -o /var/tmp/from_scwrl_1391482398.pdb > /var/tmp/scwrl_1391482398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1391482398.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 60 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_117300338.pdb -s /var/tmp/to_scwrl_117300338.seq -o /var/tmp/from_scwrl_117300338.pdb > /var/tmp/scwrl_117300338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_117300338.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 # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_790130375.pdb -s /var/tmp/to_scwrl_790130375.seq -o /var/tmp/from_scwrl_790130375.pdb > /var/tmp/scwrl_790130375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790130375.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 93 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_56607275.pdb -s /var/tmp/to_scwrl_56607275.seq -o /var/tmp/from_scwrl_56607275.pdb > /var/tmp/scwrl_56607275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56607275.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 # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_202922661.pdb -s /var/tmp/to_scwrl_202922661.seq -o /var/tmp/from_scwrl_202922661.pdb > /var/tmp/scwrl_202922661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_202922661.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 79 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1506289521.pdb -s /var/tmp/to_scwrl_1506289521.seq -o /var/tmp/from_scwrl_1506289521.pdb > /var/tmp/scwrl_1506289521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1506289521.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 # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1284606512.pdb -s /var/tmp/to_scwrl_1284606512.seq -o /var/tmp/from_scwrl_1284606512.pdb > /var/tmp/scwrl_1284606512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284606512.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 7 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_110382236.pdb -s /var/tmp/to_scwrl_110382236.seq -o /var/tmp/from_scwrl_110382236.pdb > /var/tmp/scwrl_110382236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110382236.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 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1375834266.pdb -s /var/tmp/to_scwrl_1375834266.seq -o /var/tmp/from_scwrl_1375834266.pdb > /var/tmp/scwrl_1375834266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375834266.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1222642348.pdb -s /var/tmp/to_scwrl_1222642348.seq -o /var/tmp/from_scwrl_1222642348.pdb > /var/tmp/scwrl_1222642348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1222642348.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_264791121.pdb -s /var/tmp/to_scwrl_264791121.seq -o /var/tmp/from_scwrl_264791121.pdb > /var/tmp/scwrl_264791121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_264791121.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1304820711.pdb -s /var/tmp/to_scwrl_1304820711.seq -o /var/tmp/from_scwrl_1304820711.pdb > /var/tmp/scwrl_1304820711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304820711.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1142770062.pdb -s /var/tmp/to_scwrl_1142770062.seq -o /var/tmp/from_scwrl_1142770062.pdb > /var/tmp/scwrl_1142770062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1142770062.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1901479364.pdb -s /var/tmp/to_scwrl_1901479364.seq -o /var/tmp/from_scwrl_1901479364.pdb > /var/tmp/scwrl_1901479364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1901479364.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_903238335.pdb -s /var/tmp/to_scwrl_903238335.seq -o /var/tmp/from_scwrl_903238335.pdb > /var/tmp/scwrl_903238335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903238335.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_121512393.pdb -s /var/tmp/to_scwrl_121512393.seq -o /var/tmp/from_scwrl_121512393.pdb > /var/tmp/scwrl_121512393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_121512393.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2019733354.pdb -s /var/tmp/to_scwrl_2019733354.seq -o /var/tmp/from_scwrl_2019733354.pdb > /var/tmp/scwrl_2019733354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2019733354.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1006194947.pdb -s /var/tmp/to_scwrl_1006194947.seq -o /var/tmp/from_scwrl_1006194947.pdb > /var/tmp/scwrl_1006194947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1006194947.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1673200738.pdb -s /var/tmp/to_scwrl_1673200738.seq -o /var/tmp/from_scwrl_1673200738.pdb > /var/tmp/scwrl_1673200738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1673200738.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_903550893.pdb -s /var/tmp/to_scwrl_903550893.seq -o /var/tmp/from_scwrl_903550893.pdb > /var/tmp/scwrl_903550893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903550893.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1290018106.pdb -s /var/tmp/to_scwrl_1290018106.seq -o /var/tmp/from_scwrl_1290018106.pdb > /var/tmp/scwrl_1290018106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1290018106.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_422691191.pdb -s /var/tmp/to_scwrl_422691191.seq -o /var/tmp/from_scwrl_422691191.pdb > /var/tmp/scwrl_422691191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422691191.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_539826999.pdb -s /var/tmp/to_scwrl_539826999.seq -o /var/tmp/from_scwrl_539826999.pdb > /var/tmp/scwrl_539826999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_539826999.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1845462689.pdb -s /var/tmp/to_scwrl_1845462689.seq -o /var/tmp/from_scwrl_1845462689.pdb > /var/tmp/scwrl_1845462689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845462689.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1567718589.pdb -s /var/tmp/to_scwrl_1567718589.seq -o /var/tmp/from_scwrl_1567718589.pdb > /var/tmp/scwrl_1567718589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1567718589.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 T0300 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1894321464.pdb -s /var/tmp/to_scwrl_1894321464.seq -o /var/tmp/from_scwrl_1894321464.pdb > /var/tmp/scwrl_1894321464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1894321464.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 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1329006516.pdb -s /var/tmp/to_scwrl_1329006516.seq -o /var/tmp/from_scwrl_1329006516.pdb > /var/tmp/scwrl_1329006516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329006516.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 92 ; scwrl -i /var/tmp/to_scwrl_36460169.pdb -s /var/tmp/to_scwrl_36460169.seq -o /var/tmp/from_scwrl_36460169.pdb > /var/tmp/scwrl_36460169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_36460169.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 80 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1668083083.pdb -s /var/tmp/to_scwrl_1668083083.seq -o /var/tmp/from_scwrl_1668083083.pdb > /var/tmp/scwrl_1668083083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1668083083.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 23 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2107105802.pdb -s /var/tmp/to_scwrl_2107105802.seq -o /var/tmp/from_scwrl_2107105802.pdb > /var/tmp/scwrl_2107105802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107105802.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 92 ; scwrl -i /var/tmp/to_scwrl_709614469.pdb -s /var/tmp/to_scwrl_709614469.seq -o /var/tmp/from_scwrl_709614469.pdb > /var/tmp/scwrl_709614469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709614469.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 79 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_912081836.pdb -s /var/tmp/to_scwrl_912081836.seq -o /var/tmp/from_scwrl_912081836.pdb > /var/tmp/scwrl_912081836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912081836.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 82 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_76922493.pdb -s /var/tmp/to_scwrl_76922493.seq -o /var/tmp/from_scwrl_76922493.pdb > /var/tmp/scwrl_76922493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_76922493.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 # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1499744843.pdb -s /var/tmp/to_scwrl_1499744843.seq -o /var/tmp/from_scwrl_1499744843.pdb > /var/tmp/scwrl_1499744843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499744843.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 43 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_968689111.pdb -s /var/tmp/to_scwrl_968689111.seq -o /var/tmp/from_scwrl_968689111.pdb > /var/tmp/scwrl_968689111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968689111.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 97 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_279845154.pdb -s /var/tmp/to_scwrl_279845154.seq -o /var/tmp/from_scwrl_279845154.pdb > /var/tmp/scwrl_279845154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_279845154.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 # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_858550718.pdb -s /var/tmp/to_scwrl_858550718.seq -o /var/tmp/from_scwrl_858550718.pdb > /var/tmp/scwrl_858550718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_858550718.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 # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_105811977.pdb -s /var/tmp/to_scwrl_105811977.seq -o /var/tmp/from_scwrl_105811977.pdb > /var/tmp/scwrl_105811977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_105811977.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 91 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_390227390.pdb -s /var/tmp/to_scwrl_390227390.seq -o /var/tmp/from_scwrl_390227390.pdb > /var/tmp/scwrl_390227390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_390227390.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 # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_86901338.pdb -s /var/tmp/to_scwrl_86901338.seq -o /var/tmp/from_scwrl_86901338.pdb > /var/tmp/scwrl_86901338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86901338.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 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1328454325.pdb -s /var/tmp/to_scwrl_1328454325.seq -o /var/tmp/from_scwrl_1328454325.pdb > /var/tmp/scwrl_1328454325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328454325.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_655018512.pdb -s /var/tmp/to_scwrl_655018512.seq -o /var/tmp/from_scwrl_655018512.pdb > /var/tmp/scwrl_655018512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_655018512.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1391722049.pdb -s /var/tmp/to_scwrl_1391722049.seq -o /var/tmp/from_scwrl_1391722049.pdb > /var/tmp/scwrl_1391722049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1391722049.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_323740742.pdb -s /var/tmp/to_scwrl_323740742.seq -o /var/tmp/from_scwrl_323740742.pdb > /var/tmp/scwrl_323740742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_323740742.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_409014229.pdb -s /var/tmp/to_scwrl_409014229.seq -o /var/tmp/from_scwrl_409014229.pdb > /var/tmp/scwrl_409014229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409014229.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_147476738.pdb -s /var/tmp/to_scwrl_147476738.seq -o /var/tmp/from_scwrl_147476738.pdb > /var/tmp/scwrl_147476738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147476738.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_445253135.pdb -s /var/tmp/to_scwrl_445253135.seq -o /var/tmp/from_scwrl_445253135.pdb > /var/tmp/scwrl_445253135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_445253135.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_281263936.pdb -s /var/tmp/to_scwrl_281263936.seq -o /var/tmp/from_scwrl_281263936.pdb > /var/tmp/scwrl_281263936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281263936.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1153671684.pdb -s /var/tmp/to_scwrl_1153671684.seq -o /var/tmp/from_scwrl_1153671684.pdb > /var/tmp/scwrl_1153671684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1153671684.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2118453873.pdb -s /var/tmp/to_scwrl_2118453873.seq -o /var/tmp/from_scwrl_2118453873.pdb > /var/tmp/scwrl_2118453873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118453873.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1184814829.pdb -s /var/tmp/to_scwrl_1184814829.seq -o /var/tmp/from_scwrl_1184814829.pdb > /var/tmp/scwrl_1184814829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1184814829.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 T0300 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_296206144.pdb -s /var/tmp/to_scwrl_296206144.seq -o /var/tmp/from_scwrl_296206144.pdb > /var/tmp/scwrl_296206144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296206144.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 95 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_393661417.pdb -s /var/tmp/to_scwrl_393661417.seq -o /var/tmp/from_scwrl_393661417.pdb > /var/tmp/scwrl_393661417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_393661417.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 93 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1724641828.pdb -s /var/tmp/to_scwrl_1724641828.seq -o /var/tmp/from_scwrl_1724641828.pdb > /var/tmp/scwrl_1724641828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1724641828.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 99 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2141668833.pdb -s /var/tmp/to_scwrl_2141668833.seq -o /var/tmp/from_scwrl_2141668833.pdb > /var/tmp/scwrl_2141668833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2141668833.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 98 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1961380006.pdb -s /var/tmp/to_scwrl_1961380006.seq -o /var/tmp/from_scwrl_1961380006.pdb > /var/tmp/scwrl_1961380006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961380006.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 100 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1471479645.pdb -s /var/tmp/to_scwrl_1471479645.seq -o /var/tmp/from_scwrl_1471479645.pdb > /var/tmp/scwrl_1471479645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1471479645.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1323191703.pdb -s /var/tmp/to_scwrl_1323191703.seq -o /var/tmp/from_scwrl_1323191703.pdb > /var/tmp/scwrl_1323191703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323191703.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 T0300 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1997840175.pdb -s /var/tmp/to_scwrl_1997840175.seq -o /var/tmp/from_scwrl_1997840175.pdb > /var/tmp/scwrl_1997840175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997840175.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 T0300 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_992079083.pdb -s /var/tmp/to_scwrl_992079083.seq -o /var/tmp/from_scwrl_992079083.pdb > /var/tmp/scwrl_992079083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_992079083.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 T0300 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1282813858.pdb -s /var/tmp/to_scwrl_1282813858.seq -o /var/tmp/from_scwrl_1282813858.pdb > /var/tmp/scwrl_1282813858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282813858.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_559970998.pdb -s /var/tmp/to_scwrl_559970998.seq -o /var/tmp/from_scwrl_559970998.pdb > /var/tmp/scwrl_559970998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559970998.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 T0300 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1904160918.pdb -s /var/tmp/to_scwrl_1904160918.seq -o /var/tmp/from_scwrl_1904160918.pdb > /var/tmp/scwrl_1904160918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1904160918.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 T0300 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1359736351.pdb -s /var/tmp/to_scwrl_1359736351.seq -o /var/tmp/from_scwrl_1359736351.pdb > /var/tmp/scwrl_1359736351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1359736351.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2059715841.pdb -s /var/tmp/to_scwrl_2059715841.seq -o /var/tmp/from_scwrl_2059715841.pdb > /var/tmp/scwrl_2059715841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2059715841.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 82 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_725366382.pdb -s /var/tmp/to_scwrl_725366382.seq -o /var/tmp/from_scwrl_725366382.pdb > /var/tmp/scwrl_725366382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_725366382.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 92 ; scwrl -i /var/tmp/to_scwrl_1639581505.pdb -s /var/tmp/to_scwrl_1639581505.seq -o /var/tmp/from_scwrl_1639581505.pdb > /var/tmp/scwrl_1639581505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639581505.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 89 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_770782913.pdb -s /var/tmp/to_scwrl_770782913.seq -o /var/tmp/from_scwrl_770782913.pdb > /var/tmp/scwrl_770782913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_770782913.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 63 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_831178359.pdb -s /var/tmp/to_scwrl_831178359.seq -o /var/tmp/from_scwrl_831178359.pdb > /var/tmp/scwrl_831178359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_831178359.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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_2029808896.pdb -s /var/tmp/to_scwrl_2029808896.seq -o /var/tmp/from_scwrl_2029808896.pdb > /var/tmp/scwrl_2029808896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029808896.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 T0300 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 92 ; scwrl -i /var/tmp/to_scwrl_857684251.pdb -s /var/tmp/to_scwrl_857684251.seq -o /var/tmp/from_scwrl_857684251.pdb > /var/tmp/scwrl_857684251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857684251.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 # WARNING: incomplete conformation T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_12149038.pdb -s /var/tmp/to_scwrl_12149038.seq -o /var/tmp/from_scwrl_12149038.pdb > /var/tmp/scwrl_12149038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_12149038.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_537343761.pdb -s /var/tmp/to_scwrl_537343761.seq -o /var/tmp/from_scwrl_537343761.pdb > /var/tmp/scwrl_537343761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_537343761.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_101922653.pdb -s /var/tmp/to_scwrl_101922653.seq -o /var/tmp/from_scwrl_101922653.pdb > /var/tmp/scwrl_101922653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101922653.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 T0300 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_335889780.pdb -s /var/tmp/to_scwrl_335889780.seq -o /var/tmp/from_scwrl_335889780.pdb > /var/tmp/scwrl_335889780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_335889780.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 T0300 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_946357990.pdb -s /var/tmp/to_scwrl_946357990.seq -o /var/tmp/from_scwrl_946357990.pdb > /var/tmp/scwrl_946357990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_946357990.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 T0300 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_249399391.pdb -s /var/tmp/to_scwrl_249399391.seq -o /var/tmp/from_scwrl_249399391.pdb > /var/tmp/scwrl_249399391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249399391.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 T0300 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_781142915.pdb -s /var/tmp/to_scwrl_781142915.seq -o /var/tmp/from_scwrl_781142915.pdb > /var/tmp/scwrl_781142915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_781142915.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 T0300 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1227621925.pdb -s /var/tmp/to_scwrl_1227621925.seq -o /var/tmp/from_scwrl_1227621925.pdb > /var/tmp/scwrl_1227621925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1227621925.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1403071075.pdb -s /var/tmp/to_scwrl_1403071075.seq -o /var/tmp/from_scwrl_1403071075.pdb > /var/tmp/scwrl_1403071075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403071075.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_752113142.pdb -s /var/tmp/to_scwrl_752113142.seq -o /var/tmp/from_scwrl_752113142.pdb > /var/tmp/scwrl_752113142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_752113142.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 T0300 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_264953108.pdb -s /var/tmp/to_scwrl_264953108.seq -o /var/tmp/from_scwrl_264953108.pdb > /var/tmp/scwrl_264953108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_264953108.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 T0300 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1699277219.pdb -s /var/tmp/to_scwrl_1699277219.seq -o /var/tmp/from_scwrl_1699277219.pdb > /var/tmp/scwrl_1699277219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1699277219.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 T0300 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1145774558.pdb -s /var/tmp/to_scwrl_1145774558.seq -o /var/tmp/from_scwrl_1145774558.pdb > /var/tmp/scwrl_1145774558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145774558.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 T0300 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1989594937.pdb -s /var/tmp/to_scwrl_1989594937.seq -o /var/tmp/from_scwrl_1989594937.pdb > /var/tmp/scwrl_1989594937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1989594937.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 T0300 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1693462406.pdb -s /var/tmp/to_scwrl_1693462406.seq -o /var/tmp/from_scwrl_1693462406.pdb > /var/tmp/scwrl_1693462406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1693462406.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 T0300 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_959670919.pdb -s /var/tmp/to_scwrl_959670919.seq -o /var/tmp/from_scwrl_959670919.pdb > /var/tmp/scwrl_959670919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_959670919.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_1313590935.pdb -s /var/tmp/to_scwrl_1313590935.seq -o /var/tmp/from_scwrl_1313590935.pdb > /var/tmp/scwrl_1313590935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1313590935.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 T0300 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_869170463.pdb -s /var/tmp/to_scwrl_869170463.seq -o /var/tmp/from_scwrl_869170463.pdb > /var/tmp/scwrl_869170463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_869170463.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 T0300 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_810027447.pdb -s /var/tmp/to_scwrl_810027447.seq -o /var/tmp/from_scwrl_810027447.pdb > /var/tmp/scwrl_810027447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_810027447.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 T0300 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_158186371.pdb -s /var/tmp/to_scwrl_158186371.seq -o /var/tmp/from_scwrl_158186371.pdb > /var/tmp/scwrl_158186371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158186371.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 T0300 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 92 ; scwrl -i /var/tmp/to_scwrl_4500674.pdb -s /var/tmp/to_scwrl_4500674.seq -o /var/tmp/from_scwrl_4500674.pdb > /var/tmp/scwrl_4500674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4500674.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 27.736 sec, elapsed time= 463.584 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 554.134 real_cost = 128.059 shub_TS1 costs 535.207 real_cost = 129.650 panther2_TS1-scwrl costs 949.374 real_cost = 203.559 panther2_TS1 costs 942.681 real_cost = 221.241 nFOLD_TS5-scwrl costs 754.318 real_cost = 198.939 nFOLD_TS5 costs 22742.309 real_cost = 198.941 nFOLD_TS4-scwrl costs 487.679 real_cost = 159.453 nFOLD_TS4 costs 11959.676 real_cost = 190.614 nFOLD_TS3-scwrl costs 754.851 real_cost = 168.339 nFOLD_TS3 costs 21212.773 real_cost = 168.344 nFOLD_TS2-scwrl costs 617.466 real_cost = 197.633 nFOLD_TS2 costs 25700.578 real_cost = 238.350 nFOLD_TS1-scwrl costs 503.953 real_cost = 185.196 nFOLD_TS1 costs 40533.778 real_cost = 225.543 mGen-3D_TS1-scwrl costs 658.817 real_cost = 102.244 mGen-3D_TS1 costs 10119.429 real_cost = 116.927 keasar-server_TS5-scwrl costs 477.792 real_cost = 101.370 keasar-server_TS5 costs 478.831 real_cost = 123.048 keasar-server_TS4-scwrl costs 634.838 real_cost = 255.469 keasar-server_TS4 costs 638.234 real_cost = 266.367 keasar-server_TS3-scwrl costs 609.232 real_cost = 246.112 keasar-server_TS3 costs 610.886 real_cost = 255.782 keasar-server_TS2-scwrl costs 448.161 real_cost = 255.405 keasar-server_TS2 costs 453.215 real_cost = 271.109 keasar-server_TS1-scwrl costs 443.669 real_cost = 271.154 keasar-server_TS1 costs 453.796 real_cost = 273.487 karypis.srv_TS5-scwrl costs 553.388 real_cost = 209.389 karypis.srv_TS5 costs 543.316 real_cost = 205.140 karypis.srv_TS4-scwrl costs 553.429 real_cost = 203.750 karypis.srv_TS4 costs 539.385 real_cost = 202.167 karypis.srv_TS3-scwrl costs 512.241 real_cost = 215.245 karypis.srv_TS3 costs 503.218 real_cost = 212.490 karypis.srv_TS2-scwrl costs 560.619 real_cost = 155.812 karypis.srv_TS2 costs 547.784 real_cost = 151.972 karypis.srv_TS1-scwrl costs 508.232 real_cost = 244.583 karypis.srv_TS1 costs 502.431 real_cost = 241.969 karypis.srv.4_TS5-scwrl costs 594.816 real_cost = 253.614 karypis.srv.4_TS5 costs 613.503 real_cost = 255.589 karypis.srv.4_TS4-scwrl costs 733.836 real_cost = 219.338 karypis.srv.4_TS4 costs 743.768 real_cost = 212.680 karypis.srv.4_TS3-scwrl costs 596.790 real_cost = 277.894 karypis.srv.4_TS3 costs 595.291 real_cost = 278.630 karypis.srv.4_TS2-scwrl costs 541.668 real_cost = 262.064 karypis.srv.4_TS2 costs 556.172 real_cost = 256.416 karypis.srv.4_TS1-scwrl costs 527.302 real_cost = 210.716 karypis.srv.4_TS1 costs 527.510 real_cost = 210.711 karypis.srv.2_TS5-scwrl costs 431.751 real_cost = 228.544 karypis.srv.2_TS5 costs 431.751 real_cost = 228.544 karypis.srv.2_TS4-scwrl costs 438.183 real_cost = 199.059 karypis.srv.2_TS4 costs 438.284 real_cost = 198.317 karypis.srv.2_TS3-scwrl costs 460.970 real_cost = 270.143 karypis.srv.2_TS3 costs 460.970 real_cost = 270.143 karypis.srv.2_TS2-scwrl costs 441.519 real_cost = 232.856 karypis.srv.2_TS2 costs 441.519 real_cost = 232.856 karypis.srv.2_TS1-scwrl costs 422.466 real_cost = 161.750 karypis.srv.2_TS1 costs 422.466 real_cost = 161.750 forecast-s_AL5-scwrl costs 768.792 real_cost = 301.590 forecast-s_AL5 costs 42494.442 real_cost = 324.444 forecast-s_AL4-scwrl costs 605.367 real_cost = 280.408 forecast-s_AL4 costs 51110.835 real_cost = 315.667 forecast-s_AL3-scwrl costs 525.285 real_cost = 284.145 forecast-s_AL3 costs 102734.925 real_cost = 345.234 forecast-s_AL2-scwrl costs 630.725 real_cost = 318.067 forecast-s_AL2 costs 17005.264 real_cost = 354.774 forecast-s_AL1-scwrl costs 731.696 real_cost = 332.558 forecast-s_AL1 costs 33276.874 real_cost = 352.413 beautshotbase_TS1-scwrl costs 514.819 real_cost = 116.416 beautshotbase_TS1 costs 496.089 real_cost = 103.583 beautshot_TS1-scwrl costs 482.616 real_cost = 120.742 beautshot_TS1 costs 472.074 real_cost = 118.890 Zhang-Server_TS5-scwrl costs 401.345 real_cost = 58.704 Zhang-Server_TS5 costs 412.527 real_cost = 67.851 Zhang-Server_TS4-scwrl costs 389.684 real_cost = 73.147 Zhang-Server_TS4 costs 392.753 real_cost = 85.280 Zhang-Server_TS3-scwrl costs 383.429 real_cost = 82.329 Zhang-Server_TS3 costs 393.064 real_cost = 82.904 Zhang-Server_TS2-scwrl costs 351.148 real_cost = 50.926 Zhang-Server_TS2 costs 365.040 real_cost = 59.016 Zhang-Server_TS1-scwrl costs 358.989 real_cost = 45.001 Zhang-Server_TS1 costs 374.989 real_cost = 61.856 UNI-EID_sfst_AL5-scwrl costs 671.401 real_cost = 229.516 UNI-EID_sfst_AL5 costs 52230.642 real_cost = 242.372 UNI-EID_sfst_AL4-scwrl costs 657.478 real_cost = 131.905 UNI-EID_sfst_AL4 costs 87722.363 real_cost = 168.317 UNI-EID_sfst_AL3-scwrl costs 629.408 real_cost = 116.335 UNI-EID_sfst_AL3 costs 68871.493 real_cost = 163.896 UNI-EID_sfst_AL2-scwrl costs 629.859 real_cost = 179.314 UNI-EID_sfst_AL2 costs 71120.936 real_cost = 211.364 UNI-EID_sfst_AL1-scwrl costs 683.476 real_cost = 225.630 UNI-EID_sfst_AL1 costs 275777.436 real_cost = 255.758 UNI-EID_expm_TS1-scwrl costs 632.465 real_cost = 176.900 UNI-EID_expm_TS1 costs 2867.786 real_cost = 209.317 UNI-EID_bnmx_TS5-scwrl costs 534.922 real_cost = 203.406 UNI-EID_bnmx_TS5 costs 50109.471 real_cost = 244.623 UNI-EID_bnmx_TS4-scwrl costs 594.361 real_cost = 131.509 UNI-EID_bnmx_TS4 costs 73269.005 real_cost = 174.826 UNI-EID_bnmx_TS3-scwrl costs 586.102 real_cost = 109.067 UNI-EID_bnmx_TS3 costs 122299.883 real_cost = 163.127 UNI-EID_bnmx_TS2-scwrl costs 516.371 real_cost = 159.867 UNI-EID_bnmx_TS2 costs 90943.088 real_cost = 208.724 UNI-EID_bnmx_TS1-scwrl costs 531.992 real_cost = 140.555 UNI-EID_bnmx_TS1 costs 293210.920 real_cost = 185.830 SPARKS2_TS5-scwrl costs 396.678 real_cost = 204.398 SPARKS2_TS5 costs 406.018 real_cost = 207.593 SPARKS2_TS4-scwrl costs 452.632 real_cost = 99.670 SPARKS2_TS4 costs 465.318 real_cost = 102.407 SPARKS2_TS3-scwrl costs 394.089 real_cost = 190.849 SPARKS2_TS3 costs 405.678 real_cost = 197.341 SPARKS2_TS2-scwrl costs 381.265 real_cost = 97.132 SPARKS2_TS2 costs 380.842 real_cost = 97.160 SPARKS2_TS1-scwrl costs 437.768 real_cost = 125.166 SPARKS2_TS1 costs 448.584 real_cost = 128.977 SP4_TS5-scwrl costs 392.098 real_cost = 90.246 SP4_TS5 costs 396.185 real_cost = 90.617 SP4_TS4-scwrl costs 432.594 real_cost = 203.616 SP4_TS4 costs 440.459 real_cost = 206.650 SP4_TS3-scwrl costs 450.619 real_cost = 77.597 SP4_TS3 costs 464.632 real_cost = 79.616 SP4_TS2-scwrl costs 402.279 real_cost = 198.496 SP4_TS2 costs 410.843 real_cost = 188.106 SP4_TS1-scwrl costs 380.551 real_cost = 149.622 SP4_TS1 costs 390.741 real_cost = 152.688 SP3_TS5-scwrl costs 378.278 real_cost = 95.353 SP3_TS5 costs 383.087 real_cost = 106.610 SP3_TS4-scwrl costs 407.535 real_cost = 172.924 SP3_TS4 costs 419.233 real_cost = 173.607 SP3_TS3-scwrl costs 428.716 real_cost = 201.255 SP3_TS3 costs 437.447 real_cost = 206.733 SP3_TS2-scwrl costs 397.265 real_cost = 193.119 SP3_TS2 costs 405.621 real_cost = 195.649 SP3_TS1-scwrl costs 452.632 real_cost = 99.670 SP3_TS1 costs 465.318 real_cost = 102.407 SAM_T06_server_TS5-scwrl costs 708.854 real_cost = 259.573 SAM_T06_server_TS5 costs 692.141 real_cost = 255.207 SAM_T06_server_TS4-scwrl costs 725.720 real_cost = 222.864 SAM_T06_server_TS4 costs 693.872 real_cost = 210.778 SAM_T06_server_TS3-scwrl costs 836.987 real_cost = 302.511 SAM_T06_server_TS3 costs 821.565 real_cost = 298.757 SAM_T06_server_TS2-scwrl costs 709.375 real_cost = 236.165 SAM_T06_server_TS2 costs 686.011 real_cost = 231.550 SAM_T06_server_TS1-scwrl costs 340.613 real_cost = 173.380 SAM_T06_server_TS1 costs 336.632 real_cost = 174.894 SAM-T99_AL2-scwrl costs 836.968 real_cost = 117.247 SAM-T99_AL2 costs 2555.678 real_cost = 97.491 SAM-T99_AL1-scwrl costs 836.806 real_cost = 123.648 SAM-T99_AL1 costs 3155.065 real_cost = 95.908 SAM-T02_AL5-scwrl costs 687.715 real_cost = 231.149 SAM-T02_AL5 costs 37389.171 real_cost = 284.452 SAM-T02_AL4-scwrl costs 683.952 real_cost = 233.906 SAM-T02_AL4 costs 38156.913 real_cost = 283.445 SAM-T02_AL3-scwrl costs 916.201 real_cost = 167.222 SAM-T02_AL3 costs 61836.728 real_cost = 148.031 SAM-T02_AL2-scwrl costs 836.346 real_cost = 162.633 SAM-T02_AL2 costs 1584.133 real_cost = 281.004 SAM-T02_AL1-scwrl costs 797.973 real_cost = 273.801 SAM-T02_AL1 costs 11775.914 real_cost = 279.118 ROKKY_TS5-scwrl costs 380.572 real_cost = 65.634 ROKKY_TS5 costs 8236.256 real_cost = 140.634 ROKKY_TS4-scwrl costs 390.342 real_cost = 56.523 ROKKY_TS4 costs 7687.437 real_cost = 130.153 ROKKY_TS3-scwrl costs 380.668 real_cost = 66.280 ROKKY_TS3 costs 15767.347 real_cost = 133.276 ROKKY_TS2-scwrl costs 380.380 real_cost = 58.349 ROKKY_TS2 costs 10729.102 real_cost = 129.378 ROKKY_TS1-scwrl costs 373.956 real_cost = 53.168 ROKKY_TS1 costs 10177.132 real_cost = 128.434 ROBETTA_TS5-scwrl costs 378.955 real_cost = 84.030 ROBETTA_TS5 costs 375.455 real_cost = 79.402 ROBETTA_TS4-scwrl costs 365.089 real_cost = 92.687 ROBETTA_TS4 costs 362.838 real_cost = 93.012 ROBETTA_TS3-scwrl costs 380.286 real_cost = 81.219 ROBETTA_TS3 costs 378.499 real_cost = 76.135 ROBETTA_TS2-scwrl costs 357.059 real_cost = 88.437 ROBETTA_TS2 costs 357.189 real_cost = 87.110 ROBETTA_TS1-scwrl costs 373.322 real_cost = 84.704 ROBETTA_TS1 costs 372.368 real_cost = 79.896 RAPTOR_TS5-scwrl costs 423.513 real_cost = 131.104 RAPTOR_TS5 costs 434.426 real_cost = 147.917 RAPTOR_TS4-scwrl costs 377.694 real_cost = 109.547 RAPTOR_TS4 costs 391.062 real_cost = 108.014 RAPTOR_TS3-scwrl costs 442.653 real_cost = 155.284 RAPTOR_TS3 costs 456.557 real_cost = 168.146 RAPTOR_TS2-scwrl costs 422.512 real_cost = 163.280 RAPTOR_TS2 costs 434.431 real_cost = 172.890 RAPTOR_TS1-scwrl costs 382.010 real_cost = 167.384 RAPTOR_TS1 costs 396.795 real_cost = 168.327 RAPTORESS_TS5-scwrl costs 432.131 real_cost = 173.446 RAPTORESS_TS5 costs 443.606 real_cost = 177.432 RAPTORESS_TS4-scwrl costs 433.523 real_cost = 131.541 RAPTORESS_TS4 costs 444.050 real_cost = 138.952 RAPTORESS_TS3-scwrl costs 433.859 real_cost = 186.989 RAPTORESS_TS3 costs 444.842 real_cost = 191.810 RAPTORESS_TS2-scwrl costs 426.269 real_cost = 240.735 RAPTORESS_TS2 costs 431.930 real_cost = 244.368 RAPTORESS_TS1-scwrl costs 383.371 real_cost = 170.231 RAPTORESS_TS1 costs 392.284 real_cost = 176.094 RAPTOR-ACE_TS5-scwrl costs 425.208 real_cost = 121.354 RAPTOR-ACE_TS5 costs 436.381 real_cost = 129.878 RAPTOR-ACE_TS4-scwrl costs 396.422 real_cost = 134.398 RAPTOR-ACE_TS4 costs 408.837 real_cost = 128.392 RAPTOR-ACE_TS3-scwrl costs 378.278 real_cost = 95.353 RAPTOR-ACE_TS3 costs 383.087 real_cost = 106.610 RAPTOR-ACE_TS2-scwrl costs 380.305 real_cost = 104.447 RAPTOR-ACE_TS2 costs 395.402 real_cost = 114.442 RAPTOR-ACE_TS1-scwrl costs 388.374 real_cost = 95.422 RAPTOR-ACE_TS1 costs 398.541 real_cost = 100.686 Pmodeller6_TS5-scwrl costs 512.103 real_cost = 97.833 Pmodeller6_TS5 costs 503.205 real_cost = 95.969 Pmodeller6_TS4-scwrl costs 378.571 real_cost = 122.077 Pmodeller6_TS4 costs 377.054 real_cost = 120.743 Pmodeller6_TS3-scwrl costs 474.728 real_cost = 128.235 Pmodeller6_TS3 costs 468.384 real_cost = 128.158 Pmodeller6_TS2-scwrl costs 396.908 real_cost = 60.406 Pmodeller6_TS2 costs 392.152 real_cost = 57.758 Pmodeller6_TS1-scwrl costs 368.634 real_cost = 4.413 Pmodeller6_TS1 costs 366.631 real_cost = 8.228 Phyre-2_TS5-scwrl costs 403.053 real_cost = 124.477 Phyre-2_TS5 costs 408.682 real_cost = 126.682 Phyre-2_TS4-scwrl costs 436.984 real_cost = 118.931 Phyre-2_TS4 costs 442.538 real_cost = 121.442 Phyre-2_TS3-scwrl costs 394.835 real_cost = 89.617 Phyre-2_TS3 costs 399.956 real_cost = 90.042 Phyre-2_TS2-scwrl costs 418.423 real_cost = 114.592 Phyre-2_TS2 costs 426.850 real_cost = 117.447 Phyre-2_TS1-scwrl costs 402.337 real_cost = 97.029 Phyre-2_TS1 costs 403.541 real_cost = 99.493 Phyre-1_TS1-scwrl costs 688.827 real_cost = 277.558 Phyre-1_TS1 costs 673.174 real_cost = 270.234 Pcons6_TS5-scwrl costs 420.940 real_cost = 91.854 Pcons6_TS5 costs 420.940 real_cost = 91.854 Pcons6_TS4-scwrl costs 456.372 real_cost = 164.117 Pcons6_TS4 costs 441.341 real_cost = 162.490 Pcons6_TS3-scwrl costs 696.946 real_cost = 247.271 Pcons6_TS3 costs 689.223 real_cost = 244.980 Pcons6_TS2-scwrl costs 357.059 real_cost = 88.437 Pcons6_TS2 costs 357.189 real_cost = 87.110 Pcons6_TS1-scwrl costs 359.729 real_cost = 76.249 Pcons6_TS1 costs 360.004 real_cost = 79.151 PROTINFO_TS5-scwrl costs 379.513 real_cost = 132.738 PROTINFO_TS5 costs 390.084 real_cost = 125.134 PROTINFO_TS4-scwrl costs 380.762 real_cost = 133.490 PROTINFO_TS4 costs 392.409 real_cost = 129.976 PROTINFO_TS3-scwrl costs 420.931 real_cost = 261.862 PROTINFO_TS3 costs 424.979 real_cost = 263.045 PROTINFO_TS2-scwrl costs 422.916 real_cost = 267.527 PROTINFO_TS2 costs 426.464 real_cost = 269.513 PROTINFO_TS1-scwrl costs 579.382 real_cost = 69.299 PROTINFO_TS1 costs 578.602 real_cost = 63.725 PROTINFO-AB_TS5-scwrl costs 435.692 real_cost = 141.892 PROTINFO-AB_TS5 costs 448.288 real_cost = 145.538 PROTINFO-AB_TS4-scwrl costs 481.865 real_cost = 182.647 PROTINFO-AB_TS4 costs 473.029 real_cost = 172.068 PROTINFO-AB_TS3-scwrl costs 384.493 real_cost = 155.972 PROTINFO-AB_TS3 costs 388.651 real_cost = 162.296 PROTINFO-AB_TS2-scwrl costs 383.394 real_cost = 132.512 PROTINFO-AB_TS2 costs 396.137 real_cost = 131.844 PROTINFO-AB_TS1-scwrl costs 380.762 real_cost = 133.490 PROTINFO-AB_TS1 costs 392.409 real_cost = 129.976 POMYSL_TS5-scwrl costs 531.313 real_cost = 282.302 POMYSL_TS5 costs 540.337 real_cost = 297.279 POMYSL_TS4-scwrl costs 476.111 real_cost = 237.782 POMYSL_TS4 costs 479.765 real_cost = 260.572 POMYSL_TS3-scwrl costs 455.985 real_cost = 227.426 POMYSL_TS3 costs 465.158 real_cost = 244.988 POMYSL_TS2-scwrl costs 471.498 real_cost = 236.067 POMYSL_TS2 costs 475.814 real_cost = 253.727 POMYSL_TS1-scwrl costs 506.596 real_cost = 246.668 POMYSL_TS1 costs 509.402 real_cost = 254.330 NN_PUT_lab_TS1-scwrl costs 550.688 real_cost = 149.299 NN_PUT_lab_TS1 costs 537.917 real_cost = 143.740 MetaTasser_TS5-scwrl costs 481.140 real_cost = 162.526 MetaTasser_TS5 costs 510.827 real_cost = 173.640 MetaTasser_TS4-scwrl costs 590.232 real_cost = 223.949 MetaTasser_TS4 costs 609.761 real_cost = 214.911 MetaTasser_TS3-scwrl costs 493.348 real_cost = 145.428 MetaTasser_TS3 costs 520.082 real_cost = 152.262 MetaTasser_TS2-scwrl costs 490.648 real_cost = 159.451 MetaTasser_TS2 costs 518.643 real_cost = 164.887 MetaTasser_TS1-scwrl costs 501.743 real_cost = 174.387 MetaTasser_TS1 costs 544.028 real_cost = 164.830 Ma-OPUS-server_TS5-scwrl costs 456.942 real_cost = 141.713 Ma-OPUS-server_TS5 costs 470.846 real_cost = 149.068 Ma-OPUS-server_TS4-scwrl costs 416.500 real_cost = 177.619 Ma-OPUS-server_TS4 costs 428.762 real_cost = 180.343 Ma-OPUS-server_TS3-scwrl costs 407.077 real_cost = 135.141 Ma-OPUS-server_TS3 costs 422.314 real_cost = 140.897 Ma-OPUS-server_TS2-scwrl costs 433.142 real_cost = 116.115 Ma-OPUS-server_TS2 costs 446.088 real_cost = 125.847 Ma-OPUS-server_TS1-scwrl costs 427.063 real_cost = 120.330 Ma-OPUS-server_TS1 costs 436.425 real_cost = 133.086 MIG_FROST_AL1-scwrl costs 866.078 real_cost = 354.932 MIG_FROST_AL1 costs 85550.229 real_cost = 332.603 LOOPP_TS5-scwrl costs 486.002 real_cost = 146.314 LOOPP_TS5 costs 477.275 real_cost = 147.748 LOOPP_TS4-scwrl costs 495.395 real_cost = 143.254 LOOPP_TS4 costs 495.010 real_cost = 140.657 LOOPP_TS3-scwrl costs 497.997 real_cost = 207.037 LOOPP_TS3 costs 491.609 real_cost = 206.652 LOOPP_TS2-scwrl costs 499.733 real_cost = 109.116 LOOPP_TS2 costs 499.117 real_cost = 111.139 LOOPP_TS1-scwrl costs 550.688 real_cost = 149.299 LOOPP_TS1 costs 537.917 real_cost = 143.740 Huber-Torda-Server_TS5-scwrl costs 503.511 real_cost = 233.439 Huber-Torda-Server_TS5 costs 8133.782 real_cost = 265.580 Huber-Torda-Server_TS4-scwrl costs 599.513 real_cost = 287.082 Huber-Torda-Server_TS4 costs 7436.051 real_cost = 302.255 Huber-Torda-Server_TS3-scwrl costs 596.043 real_cost = 249.597 Huber-Torda-Server_TS3 costs 35892.686 real_cost = 267.768 Huber-Torda-Server_TS2-scwrl costs 647.336 real_cost = 265.026 Huber-Torda-Server_TS2 costs 6948.308 real_cost = 285.745 Huber-Torda-Server_TS1-scwrl costs 452.300 real_cost = 225.799 Huber-Torda-Server_TS1 costs 10854.704 real_cost = 273.455 HHpred3_TS1-scwrl costs 549.364 real_cost = 220.467 HHpred3_TS1 costs 560.229 real_cost = 231.278 HHpred2_TS1-scwrl costs 441.533 real_cost = 201.268 HHpred2_TS1 costs 453.106 real_cost = 199.486 HHpred1_TS1-scwrl costs 411.644 real_cost = 162.056 HHpred1_TS1 costs 423.157 real_cost = 157.519 GeneSilicoMetaServer_TS5-scwrl costs 473.343 real_cost = 136.769 GeneSilicoMetaServer_TS5 costs 485.479 real_cost = 150.382 GeneSilicoMetaServer_TS4-scwrl costs 435.378 real_cost = 81.278 GeneSilicoMetaServer_TS4 costs 443.240 real_cost = 87.021 GeneSilicoMetaServer_TS3-scwrl costs 431.485 real_cost = 149.676 GeneSilicoMetaServer_TS3 costs 442.863 real_cost = 145.414 GeneSilicoMetaServer_TS2-scwrl costs 383.267 real_cost = 162.263 GeneSilicoMetaServer_TS2 costs 393.330 real_cost = 164.316 GeneSilicoMetaServer_TS1-scwrl costs 407.946 real_cost = 146.515 GeneSilicoMetaServer_TS1 costs 416.878 real_cost = 156.326 FUNCTION_TS5-scwrl costs 436.450 real_cost = 99.321 FUNCTION_TS5 costs 434.163 real_cost = 106.275 FUNCTION_TS4-scwrl costs 419.461 real_cost = 180.692 FUNCTION_TS4 costs 430.261 real_cost = 176.990 FUNCTION_TS3-scwrl costs 403.690 real_cost = 137.539 FUNCTION_TS3 costs 411.697 real_cost = 142.740 FUNCTION_TS2-scwrl costs 462.437 real_cost = 125.858 FUNCTION_TS2 costs 475.273 real_cost = 126.735 FUNCTION_TS1-scwrl costs 408.125 real_cost = 102.340 FUNCTION_TS1 costs 425.873 real_cost = 115.662 FUGUE_AL5-scwrl costs 848.007 real_cost = 207.914 FUGUE_AL5 costs 3033.091 real_cost = 243.082 FUGUE_AL4-scwrl costs 922.601 real_cost = 307.955 FUGUE_AL4 costs 404417.320 real_cost = 307.955 FUGUE_AL3-scwrl costs 523.562 real_cost = 205.522 FUGUE_AL3 costs 8011.877 real_cost = 253.815 FUGUE_AL2-scwrl costs 704.660 real_cost = 272.579 FUGUE_AL2 costs 11697.057 real_cost = 306.096 FUGUE_AL1-scwrl costs 917.964 real_cost = 251.299 FUGUE_AL1 costs 82866.505 real_cost = 251.299 FUGMOD_TS5-scwrl costs 850.557 real_cost = 206.845 FUGMOD_TS5 costs 842.361 real_cost = 244.257 FUGMOD_TS4-scwrl costs 426.987 real_cost = 243.837 FUGMOD_TS4 costs 437.899 real_cost = 243.205 FUGMOD_TS3-scwrl costs 438.367 real_cost = 178.930 FUGMOD_TS3 costs 443.861 real_cost = 176.894 FUGMOD_TS2-scwrl costs 699.586 real_cost = 248.242 FUGMOD_TS2 costs 702.388 real_cost = 242.835 FUGMOD_TS1-scwrl costs 436.647 real_cost = 182.474 FUGMOD_TS1 costs 448.801 real_cost = 180.310 FPSOLVER-SERVER_TS5-scwrl costs 424.171 real_cost = 214.789 FPSOLVER-SERVER_TS5 costs 426.468 real_cost = 216.787 FPSOLVER-SERVER_TS4-scwrl costs 410.196 real_cost = 209.405 FPSOLVER-SERVER_TS4 costs 410.039 real_cost = 208.587 FPSOLVER-SERVER_TS3-scwrl costs 399.017 real_cost = 174.288 FPSOLVER-SERVER_TS3 costs 399.249 real_cost = 174.280 FPSOLVER-SERVER_TS2-scwrl costs 422.397 real_cost = 198.753 FPSOLVER-SERVER_TS2 costs 424.930 real_cost = 197.154 FPSOLVER-SERVER_TS1-scwrl costs 393.964 real_cost = 141.249 FPSOLVER-SERVER_TS1 costs 394.697 real_cost = 143.354 FORTE2_AL5-scwrl costs 554.039 real_cost = 271.513 FORTE2_AL5 costs 9193.755 real_cost = 327.477 FORTE2_AL4-scwrl costs 675.656 real_cost = 276.957 FORTE2_AL4 costs 322916.893 real_cost = 331.031 FORTE2_AL3-scwrl costs 1964.022 real_cost = 367.404 FORTE2_AL2-scwrl costs 574.262 real_cost = 262.997 FORTE2_AL2 costs 202938.931 real_cost = 320.496 FORTE2_AL1-scwrl costs 780.761 real_cost = 290.273 FORTE2_AL1 costs 148003.495 real_cost = 309.654 FORTE1_AL5-scwrl costs 554.039 real_cost = 271.513 FORTE1_AL5 costs 9193.755 real_cost = 327.477 FORTE1_AL4-scwrl costs 675.656 real_cost = 276.957 FORTE1_AL4 costs 322916.893 real_cost = 331.031 FORTE1_AL3-scwrl costs 1964.022 real_cost = 367.404 FORTE1_AL2-scwrl costs 574.262 real_cost = 262.997 FORTE1_AL2 costs 202938.931 real_cost = 320.496 FORTE1_AL1-scwrl costs 780.761 real_cost = 290.273 FORTE1_AL1 costs 148003.495 real_cost = 309.654 FOLDpro_TS5-scwrl costs 473.335 real_cost = 215.298 FOLDpro_TS5 costs 483.730 real_cost = 223.321 FOLDpro_TS4-scwrl costs 495.356 real_cost = 318.334 FOLDpro_TS4 costs 505.811 real_cost = 318.453 FOLDpro_TS3-scwrl costs 459.015 real_cost = 172.574 FOLDpro_TS3 costs 469.692 real_cost = 174.538 FOLDpro_TS2-scwrl costs 471.557 real_cost = 190.187 FOLDpro_TS2 costs 484.305 real_cost = 221.800 FOLDpro_TS1-scwrl costs 472.199 real_cost = 153.506 FOLDpro_TS1 costs 486.544 real_cost = 166.017 FAMS_TS5-scwrl costs 523.866 real_cost = 188.986 FAMS_TS5 costs 552.021 real_cost = 201.064 FAMS_TS4-scwrl costs 464.867 real_cost = 98.156 FAMS_TS4 costs 460.668 real_cost = 98.605 FAMS_TS3-scwrl costs 464.867 real_cost = 98.156 FAMS_TS3 costs 460.668 real_cost = 98.605 FAMS_TS2-scwrl costs 463.129 real_cost = 97.407 FAMS_TS2 costs 457.077 real_cost = 106.644 FAMS_TS1-scwrl costs 403.690 real_cost = 137.539 FAMS_TS1 costs 411.697 real_cost = 142.740 FAMSD_TS5-scwrl costs 493.529 real_cost = 202.706 FAMSD_TS5 costs 484.947 real_cost = 201.818 FAMSD_TS4-scwrl costs 500.694 real_cost = 210.013 FAMSD_TS4 costs 491.369 real_cost = 205.555 FAMSD_TS3-scwrl costs 665.447 real_cost = 192.950 FAMSD_TS3 costs 651.116 real_cost = 195.375 FAMSD_TS2-scwrl costs 459.394 real_cost = 97.057 FAMSD_TS2 costs 457.985 real_cost = 99.042 FAMSD_TS1-scwrl costs 420.409 real_cost = 106.089 FAMSD_TS1 costs 432.886 real_cost = 111.768 Distill_TS5-scwrl costs 2012.843 real_cost = 325.411 Distill_TS4-scwrl costs 2008.132 real_cost = 326.084 Distill_TS3-scwrl costs 2008.938 real_cost = 323.951 Distill_TS2-scwrl costs 2007.534 real_cost = 319.615 Distill_TS1-scwrl costs 1994.638 real_cost = 319.133 CaspIta-FOX_TS5-scwrl costs 646.391 real_cost = 250.375 CaspIta-FOX_TS5 costs 632.823 real_cost = 249.806 CaspIta-FOX_TS4-scwrl costs 476.236 real_cost = 166.343 CaspIta-FOX_TS4 costs 469.218 real_cost = 163.509 CaspIta-FOX_TS3-scwrl costs 611.140 real_cost = 157.621 CaspIta-FOX_TS3 costs 588.207 real_cost = 150.983 CaspIta-FOX_TS2-scwrl costs 414.266 real_cost = 123.033 CaspIta-FOX_TS2 costs 415.985 real_cost = 125.228 CaspIta-FOX_TS1-scwrl costs 502.208 real_cost = 111.249 CaspIta-FOX_TS1 costs 491.323 real_cost = 109.957 CIRCLE_TS5-scwrl costs 413.360 real_cost = 95.109 CIRCLE_TS5 costs 425.091 real_cost = 91.047 CIRCLE_TS4-scwrl costs 459.394 real_cost = 97.057 CIRCLE_TS4 costs 457.985 real_cost = 99.042 CIRCLE_TS3-scwrl costs 464.867 real_cost = 98.156 CIRCLE_TS3 costs 460.668 real_cost = 98.605 CIRCLE_TS2-scwrl costs 463.129 real_cost = 97.407 CIRCLE_TS2 costs 457.077 real_cost = 106.644 CIRCLE_TS1-scwrl costs 413.992 real_cost = 93.375 CIRCLE_TS1 costs 426.889 real_cost = 91.640 Bilab-ENABLE_TS1-scwrl costs 430.812 real_cost = 193.365 Bilab-ENABLE_TS1 costs 430.812 real_cost = 193.365 BayesHH_TS1-scwrl costs 447.060 real_cost = 168.254 BayesHH_TS1 costs 460.306 real_cost = 148.785 ABIpro_TS5-scwrl costs 399.380 real_cost = 114.145 ABIpro_TS5 costs 399.380 real_cost = 114.145 ABIpro_TS4-scwrl costs 408.623 real_cost = 133.356 ABIpro_TS4 costs 408.623 real_cost = 133.356 ABIpro_TS3-scwrl costs 394.032 real_cost = 143.358 ABIpro_TS3 costs 394.032 real_cost = 143.358 ABIpro_TS2-scwrl costs 410.400 real_cost = 111.493 ABIpro_TS2 costs 410.685 real_cost = 111.493 ABIpro_TS1-scwrl costs 393.754 real_cost = 175.113 ABIpro_TS1 costs 393.994 real_cost = 177.114 3Dpro_TS5-scwrl costs 432.385 real_cost = 224.255 3Dpro_TS5 costs 440.868 real_cost = 219.318 3Dpro_TS4-scwrl costs 441.819 real_cost = 230.326 3Dpro_TS4 costs 450.072 real_cost = 227.463 3Dpro_TS3-scwrl costs 410.400 real_cost = 111.493 3Dpro_TS3 costs 410.685 real_cost = 111.493 3Dpro_TS2-scwrl costs 393.754 real_cost = 175.113 3Dpro_TS2 costs 393.994 real_cost = 177.114 3Dpro_TS1-scwrl costs 450.352 real_cost = 217.951 3Dpro_TS1 costs 459.933 real_cost = 218.362 3D-JIGSAW_TS1-scwrl costs 589.425 real_cost = 228.636 3D-JIGSAW_TS1 costs 567.894 real_cost = 242.873 3D-JIGSAW_RECOM_TS1-scwrl costs 589.425 real_cost = 228.636 3D-JIGSAW_RECOM_TS1 costs 567.894 real_cost = 242.873 3D-JIGSAW_POPULUS_TS5-scwrl costs 589.425 real_cost = 228.636 3D-JIGSAW_POPULUS_TS5 costs 567.894 real_cost = 242.873 3D-JIGSAW_POPULUS_TS4-scwrl costs 589.425 real_cost = 228.636 3D-JIGSAW_POPULUS_TS4 costs 567.894 real_cost = 242.873 3D-JIGSAW_POPULUS_TS3-scwrl costs 589.425 real_cost = 228.636 3D-JIGSAW_POPULUS_TS3 costs 567.894 real_cost = 242.873 3D-JIGSAW_POPULUS_TS2-scwrl costs 589.425 real_cost = 228.636 3D-JIGSAW_POPULUS_TS2 costs 567.894 real_cost = 242.873 3D-JIGSAW_POPULUS_TS1-scwrl costs 589.425 real_cost = 228.636 3D-JIGSAW_POPULUS_TS1 costs 567.894 real_cost = 242.873 dimer//dimer.rot5.renum costs 387.031 real_cost = 87.984 dimer//dimer.flipped180.renum costs 362.241 real_cost = 67.606 dimer//dimer-try3-1jm0A costs 325.951 real_cost = 72.781 dimer//dimer-rotateNterm2 costs 362.241 real_cost = 67.606 dimer//dimer-rotate5fixed costs 386.885 real_cost = 88.754 dimer//dimer-rotate5 costs 388.559 real_cost = 99.965 dimer//try8-opt2.unpack costs 359.104 real_cost = 63.979 dimer//try8-opt2.repack-nonPC costs 361.104 real_cost = 62.039 dimer//try8-opt2 costs 359.104 real_cost = 63.979 dimer//try8-opt2.gromacs0 costs 408.429 real_cost = 60.526 dimer//try8-opt1 costs 361.712 real_cost = 64.794 dimer//try8-opt1-scwrl costs 363.530 real_cost = 63.148 dimer//try7-opt2.unpack costs 327.010 real_cost = 76.460 dimer//try7-opt2.repack-nonPC costs 330.687 real_cost = 71.121 dimer//try7-opt2 costs 327.010 real_cost = 76.460 dimer//try7-opt2.gromacs0 costs 394.086 real_cost = 80.764 dimer//try7-opt1 costs 326.980 real_cost = 75.734 dimer//try7-opt1-scwrl costs 330.633 real_cost = 72.889 dimer//try6-opt2.unpack costs 355.694 real_cost = 71.076 dimer//try6-opt2.repack-nonPC costs 358.704 real_cost = 69.268 dimer//try6-opt2 costs 355.694 real_cost = 71.076 dimer//try6-opt2.gromacs0 costs 367.328 real_cost = 69.935 dimer//try6-opt1 costs 355.109 real_cost = 73.472 dimer//try6-opt1-scwrl costs 357.912 real_cost = 68.362 dimer//try5-opt2.unpack costs 325.604 real_cost = 76.937 dimer//try5-opt2.repack-nonPC costs 329.161 real_cost = 72.180 dimer//try5-opt2 costs 325.604 real_cost = 76.937 dimer//try5-opt2.gromacs0 costs 397.194 real_cost = 82.903 dimer//try5-opt1 costs 325.530 real_cost = 75.260 dimer//try5-opt1-scwrl costs 329.496 real_cost = 71.351 dimer//try4-opt2.unpack costs 359.490 real_cost = 68.610 dimer//try4-opt2.repack-nonPC costs 361.459 real_cost = 67.524 dimer//try4-opt2 costs 359.490 real_cost = 68.610 dimer//try4-opt2.gromacs0 costs 422.150 real_cost = 71.585 dimer//try4-opt1 costs 360.306 real_cost = 69.215 dimer//try4-opt1-scwrl costs 361.669 real_cost = 66.144 dimer//try3-opt2.unpack costs 355.007 real_cost = 69.478 dimer//try3-opt2.repack-nonPC costs 357.490 real_cost = 64.147 dimer//try3-opt2 costs 355.007 real_cost = 69.478 dimer//try3-opt2.gromacs0 costs 402.177 real_cost = 68.718 dimer//try3-opt1 costs 358.365 real_cost = 66.863 dimer//try3-opt1-scwrl costs 360.828 real_cost = 61.697 dimer//try2-opt2.unpack costs 354.898 real_cost = 72.752 dimer//try2-opt2.repack-nonPC costs 356.997 real_cost = 77.801 dimer//try2-opt2 costs 354.898 real_cost = 72.752 dimer//try2-opt2.gromacs0 costs 397.356 real_cost = 75.155 dimer//try2-opt1 costs 357.584 real_cost = 71.508 dimer//try2-opt1-scwrl costs 358.699 real_cost = 67.407 dimer//try1-opt2.unpack costs 326.840 real_cost = 75.951 dimer//try1-opt2.repack-nonPC costs 330.221 real_cost = 76.764 dimer//try1-opt2 costs 326.840 real_cost = 75.951 dimer//try1-opt2.gromacs0 costs 382.538 real_cost = 73.675 dimer//try1-opt1 costs 326.613 real_cost = 73.476 dimer//try1-opt1-scwrl costs 329.563 real_cost = 70.711 rotateNterm2FromTry3.renum.pdb.gz costs 361.907 real_cost = 67.674 rotateFromTry3attempt3.renum.pdb.gz costs 363.705 real_cost = 69.894 rotateFromTry3attempt3.fix.pdb.gz costs 380.897 real_cost = 70.134 rotateFromTry3attempt2.renum.pdb.gz costs 361.484 real_cost = 53.713 rotateFromTry3attempt1.renum.pdb.gz costs 345.943 real_cost = 69.287 rotateFromTry2attempt2.renum.pdb.gz costs 380.417 real_cost = 87.137 rotateFromTry2attempt1.renum.pdb.gz costs 366.929 real_cost = 78.697 rotate5monomerFixed2.renum.pdb.gz costs 386.996 real_cost = 88.290 rotate5monomer.renum.pdb.gz costs 388.549 real_cost = 99.953 georgesuggestion.renum.pdb.gz costs 406.816 real_cost = 61.559 T0300.try9-opt2.repack-nonPC.pdb.gz costs 328.682 real_cost = 59.786 T0300.try9-opt2.pdb.gz costs 323.405 real_cost = 65.948 T0300.try9-opt2.gromacs0.pdb.gz costs 331.787 real_cost = 63.989 T0300.try9-opt1.pdb.gz costs 337.303 real_cost = 68.533 T0300.try9-opt1-scwrl.pdb.gz costs 339.229 real_cost = 64.859 T0300.try8-opt2.repack-nonPC.pdb.gz costs 339.966 real_cost = 53.670 T0300.try8-opt2.pdb.gz costs 336.952 real_cost = 55.142 T0300.try8-opt2.gromacs0.pdb.gz costs 348.075 real_cost = 57.389 T0300.try8-opt1.pdb.gz costs 341.065 real_cost = 58.938 T0300.try8-opt1-scwrl.pdb.gz costs 342.182 real_cost = 59.458 T0300.try7-opt2.repack-nonPC.pdb.gz costs 338.075 real_cost = 71.408 T0300.try7-opt2.pdb.gz costs 336.896 real_cost = 70.803 T0300.try7-opt2.gromacs0.pdb.gz costs 347.216 real_cost = 71.556 T0300.try7-opt1.pdb.gz costs 344.665 real_cost = 70.212 T0300.try7-opt1-scwrl.pdb.gz costs 344.533 real_cost = 70.152 T0300.try6-opt2.repack-nonPC.pdb.gz costs 334.733 real_cost = 63.944 T0300.try6-opt2.pdb.gz costs 331.741 real_cost = 68.927 T0300.try6-opt2.gromacs0.pdb.gz costs 348.121 real_cost = 70.146 T0300.try6-opt1.pdb.gz costs 340.391 real_cost = 66.489 T0300.try6-opt1-scwrl.pdb.gz costs 341.701 real_cost = 60.324 T0300.try5-opt2.repack-nonPC.pdb.gz costs 330.336 real_cost = 71.856 T0300.try5-opt2.pdb.gz costs 328.062 real_cost = 79.042 T0300.try5-opt2.gromacs0.pdb.gz costs 344.908 real_cost = 81.578 T0300.try5-opt1.pdb.gz costs 331.461 real_cost = 74.162 T0300.try5-opt1-scwrl.pdb.gz costs 333.994 real_cost = 68.258 T0300.try4-opt2.repack-nonPC.pdb.gz costs 342.686 real_cost = 62.958 T0300.try4-opt2.pdb.gz costs 340.912 real_cost = 66.080 T0300.try4-opt2.gromacs0.pdb.gz costs 351.612 real_cost = 65.284 T0300.try4-opt1.pdb.gz costs 346.985 real_cost = 59.676 T0300.try4-opt1-scwrl.pdb.gz costs 349.542 real_cost = 62.393 T0300.try3-opt2.repack-nonPC.pdb.gz costs 329.856 real_cost = 72.704 T0300.try3-opt2.pdb.gz costs 325.936 real_cost = 72.883 T0300.try3-opt2.gromacs0.pdb.gz costs 339.461 real_cost = 74.929 T0300.try3-opt1.pdb.gz costs 330.610 real_cost = 74.885 T0300.try3-opt1-scwrl.pdb.gz costs 333.342 real_cost = 73.399 T0300.try2-opt2.repack-nonPC.pdb.gz costs 338.832 real_cost = 104.445 T0300.try2-opt2.pdb.gz costs 337.186 real_cost = 106.175 T0300.try2-opt2.gromacs0.pdb.gz costs 348.630 real_cost = 107.933 T0300.try2-opt1.pdb.gz costs 343.535 real_cost = 109.680 T0300.try2-opt1-scwrl.pdb.gz costs 344.364 real_cost = 109.160 T0300.try16-opt2.repack-nonPC.pdb.gz costs 347.818 real_cost = 66.000 T0300.try16-opt2.pdb.gz costs 345.567 real_cost = 69.647 T0300.try16-opt2.gromacs0.pdb.gz costs 359.165 real_cost = 71.999 T0300.try16-opt1.pdb.gz costs 351.917 real_cost = 71.570 T0300.try16-opt1-scwrl.pdb.gz costs 352.803 real_cost = 65.097 T0300.try15-opt2.repack-nonPC.pdb.gz costs 329.516 real_cost = 69.193 T0300.try15-opt2.pdb.gz costs 327.616 real_cost = 74.124 T0300.try15-opt2.gromacs0.pdb.gz costs 343.454 real_cost = 75.519 T0300.try15-opt1.pdb.gz costs 333.736 real_cost = 67.961 T0300.try15-opt1-scwrl.pdb.gz costs 335.586 real_cost = 66.670 T0300.try14-opt2.pdb.gz costs 363.299 real_cost = 119.934 T0300.try14-opt2.gromacs0.pdb.gz costs 379.751 real_cost = 117.610 T0300.try14-opt1.pdb.gz costs 373.451 real_cost = 114.007 T0300.try14-opt1-scwrl.pdb.gz costs 375.538 real_cost = 111.022 T0300.try13-opt2.repack-nonPC.pdb.gz costs 339.103 real_cost = 91.069 T0300.try13-opt2.pdb.gz costs 336.236 real_cost = 97.464 T0300.try13-opt2.gromacs0.pdb.gz costs 352.260 real_cost = 92.892 T0300.try13-opt1.pdb.gz costs 344.137 real_cost = 95.995 T0300.try13-opt1-scwrl.pdb.gz costs 344.100 real_cost = 95.438 T0300.try12-opt2.repack-nonPC.pdb.gz costs 348.661 real_cost = 78.482 T0300.try12-opt2.pdb.gz costs 345.321 real_cost = 84.256 T0300.try12-opt2.gromacs0.pdb.gz costs 359.774 real_cost = 86.135 T0300.try12-opt1.pdb.gz costs 354.384 real_cost = 89.709 T0300.try12-opt1-scwrl.pdb.gz costs 355.490 real_cost = 86.701 T0300.try11-opt2.repack-nonPC.pdb.gz costs 362.362 real_cost = 107.631 T0300.try11-opt2.pdb.gz costs 358.822 real_cost = 110.009 T0300.try11-opt2.gromacs0.pdb.gz costs 368.722 real_cost = 107.421 T0300.try11-opt1.pdb.gz costs 364.329 real_cost = 109.560 T0300.try11-opt1-scwrl.pdb.gz costs 365.904 real_cost = 110.119 T0300.try10-opt2.repack-nonPC.pdb.gz costs 336.600 real_cost = 51.840 T0300.try10-opt2.pdb.gz costs 332.802 real_cost = 52.910 T0300.try10-opt2.gromacs0.pdb.gz costs 342.118 real_cost = 53.082 T0300.try10-opt1.pdb.gz costs 338.401 real_cost = 53.037 T0300.try10-opt1-scwrl.pdb.gz costs 339.847 real_cost = 57.427 T0300.try1-opt2.repack-nonPC.pdb.gz costs 333.950 real_cost = 143.303 T0300.try1-opt2.pdb.gz costs 328.434 real_cost = 146.105 T0300.try1-opt2.gromacs0.pdb.gz costs 346.029 real_cost = 147.994 T0300.try1-opt1.pdb.gz costs 333.956 real_cost = 144.835 T0300.try1-opt1-scwrl.pdb.gz costs 337.952 real_cost = 143.298 ../model5.ts-submitted costs 327.713 real_cost = 74.143 ../model4.ts-submitted costs 359.103 real_cost = 63.722 ../model3.ts-submitted costs 359.485 real_cost = 68.162 ../model2.ts-submitted costs 337.175 real_cost = 106.179 ../model1.ts-submitted costs 325.982 real_cost = 72.807 align5 costs 757.902 real_cost = 138.792 align4 costs 951.470 real_cost = 119.297 align3 costs 900.687 real_cost = 201.568 align2 costs 840.576 real_cost = 213.975 align1 costs 808.289 real_cost = 240.820 T0300.try1-opt2.pdb costs 328.435 real_cost = 146.105 model5-scwrl costs 331.474 real_cost = 68.152 model5.ts-submitted costs 327.713 real_cost = 74.143 model4-scwrl costs 360.605 real_cost = 61.926 model4.ts-submitted costs 359.103 real_cost = 63.722 model3-scwrl costs 362.078 real_cost = 65.408 model3.ts-submitted costs 359.485 real_cost = 68.162 model2-scwrl costs 340.453 real_cost = 104.946 model2.ts-submitted costs 337.175 real_cost = 106.179 model1-scwrl costs 329.084 real_cost = 71.346 model1.ts-submitted costs 325.983 real_cost = 72.878 2h3rA costs 474.747 real_cost = -867.600 # command:CPU_time= 170.180 sec, elapsed time= 888.820 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/T0300'