make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0309' 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/T0309.} ;\ 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/T0309/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2h4oA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174133638 # 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= 6.08707 sec, elapsed time= 12.3388 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= 6.16806 sec, elapsed time= 12.5153 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0309 numbered 1 through 76 Created new target T0309 from T0309.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0309 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 T0309.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 T0309.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 T0309.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= 8.79066 sec, elapsed time= 18.7767 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 53 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -31.8548 # GDT_score(maxd=8,maxw=2.9)= -29.8714 # GDT_score(maxd=8,maxw=3.2)= -28.48 # GDT_score(maxd=8,maxw=3.5)= -27.2008 # GDT_score(maxd=10,maxw=3.8)= -29.7385 # GDT_score(maxd=10,maxw=4)= -28.8161 # GDT_score(maxd=10,maxw=4.2)= -27.9816 # GDT_score(maxd=12,maxw=4.3)= -30.6185 # GDT_score(maxd=12,maxw=4.5)= -29.7594 # GDT_score(maxd=12,maxw=4.7)= -28.9735 # GDT_score(maxd=14,maxw=5.2)= -29.6701 # GDT_score(maxd=14,maxw=5.5)= -28.5796 # 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 8.751 -28.172 -5.703 1.00 0.00 ATOM 2 CA MET A 1 8.142 -27.855 -6.990 1.00 0.00 ATOM 3 CB MET A 1 9.284 -27.319 -7.838 1.00 0.00 ATOM 4 CG MET A 1 8.878 -26.856 -9.233 1.00 0.00 ATOM 5 SD MET A 1 7.249 -26.051 -9.387 1.00 0.00 ATOM 6 CE MET A 1 7.542 -24.505 -8.587 1.00 0.00 ATOM 7 O MET A 1 7.833 -30.216 -7.041 1.00 0.00 ATOM 8 C MET A 1 7.452 -29.138 -7.470 1.00 0.00 ATOM 9 N ALA A 2 6.267 -28.928 -8.014 1.00 0.00 ATOM 10 CA ALA A 2 5.413 -30.019 -8.532 1.00 0.00 ATOM 11 CB ALA A 2 4.272 -30.272 -7.538 1.00 0.00 ATOM 12 O ALA A 2 4.685 -28.392 -10.083 1.00 0.00 ATOM 13 C ALA A 2 4.801 -29.595 -9.876 1.00 0.00 ATOM 14 N SER A 3 4.161 -30.524 -10.584 1.00 0.00 ATOM 15 CA SER A 3 3.393 -30.193 -11.808 1.00 0.00 ATOM 16 CB SER A 3 2.754 -31.443 -12.378 1.00 0.00 ATOM 17 OG SER A 3 3.709 -32.362 -12.832 1.00 0.00 ATOM 18 O SER A 3 2.160 -28.171 -12.203 1.00 0.00 ATOM 19 C SER A 3 2.346 -29.137 -11.463 1.00 0.00 ATOM 20 N LYS A 4 1.693 -29.281 -10.277 1.00 0.00 ATOM 21 CA LYS A 4 0.676 -28.338 -9.823 1.00 0.00 ATOM 22 CB LYS A 4 -0.059 -28.861 -8.586 1.00 0.00 ATOM 23 CG LYS A 4 -1.167 -29.852 -8.896 1.00 0.00 ATOM 24 CD LYS A 4 -0.628 -31.153 -9.480 1.00 0.00 ATOM 25 CE LYS A 4 -1.766 -32.028 -9.994 1.00 0.00 ATOM 26 NZ LYS A 4 -2.782 -32.308 -8.934 1.00 0.00 ATOM 27 O LYS A 4 0.771 -25.941 -9.948 1.00 0.00 ATOM 28 C LYS A 4 1.295 -26.973 -9.530 1.00 0.00 ATOM 29 N LYS A 5 2.417 -26.967 -8.854 1.00 0.00 ATOM 30 CA LYS A 5 3.090 -25.719 -8.518 1.00 0.00 ATOM 31 CB LYS A 5 4.169 -26.052 -7.487 1.00 0.00 ATOM 32 CG LYS A 5 3.634 -26.430 -6.112 1.00 0.00 ATOM 33 CD LYS A 5 4.763 -26.750 -5.147 1.00 0.00 ATOM 34 CE LYS A 5 4.228 -27.134 -3.775 1.00 0.00 ATOM 35 NZ LYS A 5 5.322 -27.481 -2.827 1.00 0.00 ATOM 36 O LYS A 5 3.928 -23.822 -9.721 1.00 0.00 ATOM 37 C LYS A 5 3.738 -25.035 -9.713 1.00 0.00 ATOM 38 N VAL A 6 4.162 -25.828 -10.735 1.00 0.00 ATOM 39 CA VAL A 6 4.797 -25.295 -11.935 1.00 0.00 ATOM 40 CB VAL A 6 5.188 -26.460 -12.879 1.00 0.00 ATOM 41 CG1 VAL A 6 5.636 -25.912 -14.232 1.00 0.00 ATOM 42 CG2 VAL A 6 6.297 -27.291 -12.243 1.00 0.00 ATOM 43 O VAL A 6 4.409 -23.240 -13.106 1.00 0.00 ATOM 44 C VAL A 6 3.914 -24.254 -12.616 1.00 0.00 ATOM 45 N HIS A 7 2.599 -24.503 -12.681 1.00 0.00 ATOM 46 CA HIS A 7 1.675 -23.590 -13.345 1.00 0.00 ATOM 47 CB HIS A 7 0.733 -24.365 -14.271 1.00 0.00 ATOM 48 CG HIS A 7 1.433 -25.061 -15.397 1.00 0.00 ATOM 49 CD2 HIS A 7 1.723 -26.369 -15.594 1.00 0.00 ATOM 50 ND1 HIS A 7 1.924 -24.388 -16.496 1.00 0.00 ATOM 51 CE1 HIS A 7 2.486 -25.253 -17.322 1.00 0.00 ATOM 52 NE2 HIS A 7 2.378 -26.461 -16.799 1.00 0.00 ATOM 53 O HIS A 7 -0.241 -22.268 -12.730 1.00 0.00 ATOM 54 C HIS A 7 0.831 -22.767 -12.371 1.00 0.00 ATOM 55 N GLN A 8 1.286 -22.694 -11.124 1.00 0.00 ATOM 56 CA GLN A 8 0.521 -21.996 -10.081 1.00 0.00 ATOM 57 CB GLN A 8 0.010 -22.990 -9.034 1.00 0.00 ATOM 58 CG GLN A 8 -1.163 -23.837 -9.499 1.00 0.00 ATOM 59 CD GLN A 8 -1.648 -24.793 -8.427 1.00 0.00 ATOM 60 OE1 GLN A 8 -1.067 -24.877 -7.341 1.00 0.00 ATOM 61 NE2 GLN A 8 -2.715 -25.525 -8.726 1.00 0.00 ATOM 62 O GLN A 8 2.570 -21.139 -9.123 1.00 0.00 ATOM 63 C GLN A 8 1.379 -20.941 -9.377 1.00 0.00 ATOM 64 N ILE A 9 0.721 -19.847 -9.043 1.00 0.00 ATOM 65 CA ILE A 9 1.342 -18.700 -8.375 1.00 0.00 ATOM 66 CB ILE A 9 0.840 -17.381 -8.978 1.00 0.00 ATOM 67 CG1 ILE A 9 1.176 -17.319 -10.465 1.00 0.00 ATOM 68 CG2 ILE A 9 1.476 -16.215 -8.236 1.00 0.00 ATOM 69 CD1 ILE A 9 0.747 -16.029 -11.153 1.00 0.00 ATOM 70 O ILE A 9 -0.267 -18.701 -6.620 1.00 0.00 ATOM 71 C ILE A 9 0.938 -18.772 -6.905 1.00 0.00 ATOM 72 N ASN A 10 1.899 -19.038 -6.083 1.00 0.00 ATOM 73 CA ASN A 10 1.579 -19.169 -4.648 1.00 0.00 ATOM 74 CB ASN A 10 2.695 -19.993 -4.078 1.00 0.00 ATOM 75 CG ASN A 10 2.450 -20.130 -2.583 1.00 0.00 ATOM 76 ND2 ASN A 10 3.316 -20.883 -1.911 1.00 0.00 ATOM 77 OD1 ASN A 10 1.496 -19.574 -2.043 1.00 0.00 ATOM 78 O ASN A 10 3.007 -17.383 -4.007 1.00 0.00 ATOM 79 C ASN A 10 1.874 -17.851 -3.981 1.00 0.00 ATOM 80 N VAL A 11 0.858 -17.281 -3.344 1.00 0.00 ATOM 81 CA VAL A 11 0.982 -15.946 -2.785 1.00 0.00 ATOM 82 CB VAL A 11 0.038 -14.909 -3.420 1.00 0.00 ATOM 83 CG1 VAL A 11 0.297 -13.527 -2.841 1.00 0.00 ATOM 84 CG2 VAL A 11 0.206 -14.890 -4.932 1.00 0.00 ATOM 85 O VAL A 11 -0.336 -16.200 -0.820 1.00 0.00 ATOM 86 C VAL A 11 0.749 -15.857 -1.294 1.00 0.00 ATOM 87 N LYS A 12 1.713 -15.211 -0.624 1.00 0.00 ATOM 88 CA LYS A 12 1.690 -14.952 0.811 1.00 0.00 ATOM 89 CB LYS A 12 2.895 -15.616 1.443 1.00 0.00 ATOM 90 CG LYS A 12 2.917 -15.346 2.932 1.00 0.00 ATOM 91 CD LYS A 12 3.933 -16.131 3.736 1.00 0.00 ATOM 92 CE LYS A 12 3.756 -17.640 3.630 1.00 0.00 ATOM 93 NZ LYS A 12 4.773 -18.295 4.517 1.00 0.00 ATOM 94 O LYS A 12 2.665 -12.831 0.222 1.00 0.00 ATOM 95 C LYS A 12 1.825 -13.421 0.903 1.00 0.00 ATOM 96 N GLY A 13 0.725 -12.829 1.336 1.00 0.00 ATOM 97 CA GLY A 13 0.544 -11.367 1.368 1.00 0.00 ATOM 98 O GLY A 13 -0.362 -11.435 3.576 1.00 0.00 ATOM 99 C GLY A 13 0.381 -10.864 2.790 1.00 0.00 ATOM 100 N PHE A 14 1.155 -9.832 3.086 1.00 0.00 ATOM 101 CA PHE A 14 1.163 -9.167 4.410 1.00 0.00 ATOM 102 CB PHE A 14 2.588 -9.051 4.955 1.00 0.00 ATOM 103 CG PHE A 14 3.211 -10.371 5.306 1.00 0.00 ATOM 104 CD1 PHE A 14 3.948 -11.080 4.369 1.00 0.00 ATOM 105 CD2 PHE A 14 3.062 -10.909 6.577 1.00 0.00 ATOM 106 CE1 PHE A 14 4.522 -12.294 4.694 1.00 0.00 ATOM 107 CE2 PHE A 14 3.634 -12.123 6.904 1.00 0.00 ATOM 108 CZ PHE A 14 4.365 -12.816 5.961 1.00 0.00 ATOM 109 O PHE A 14 0.989 -6.911 3.492 1.00 0.00 ATOM 110 C PHE A 14 0.532 -7.804 4.243 1.00 0.00 ATOM 111 N PHE A 15 -0.514 -7.545 5.045 1.00 0.00 ATOM 112 CA PHE A 15 -1.194 -6.259 5.093 1.00 0.00 ATOM 113 CB PHE A 15 -2.573 -6.142 4.454 1.00 0.00 ATOM 114 CG PHE A 15 -3.181 -7.463 4.039 1.00 0.00 ATOM 115 CD1 PHE A 15 -4.081 -8.058 4.907 1.00 0.00 ATOM 116 CD2 PHE A 15 -2.888 -8.026 2.809 1.00 0.00 ATOM 117 CE1 PHE A 15 -4.702 -9.239 4.530 1.00 0.00 ATOM 118 CE2 PHE A 15 -3.513 -9.186 2.442 1.00 0.00 ATOM 119 CZ PHE A 15 -4.420 -9.782 3.297 1.00 0.00 ATOM 120 O PHE A 15 -2.154 -6.340 7.291 1.00 0.00 ATOM 121 C PHE A 15 -1.331 -5.822 6.542 1.00 0.00 ATOM 122 N ASP A 16 -0.461 -4.886 6.862 1.00 0.00 ATOM 123 CA ASP A 16 -0.280 -4.357 8.232 1.00 0.00 ATOM 124 CB ASP A 16 -1.606 -3.826 8.782 1.00 0.00 ATOM 125 CG ASP A 16 -2.127 -2.583 8.076 1.00 0.00 ATOM 126 OD1 ASP A 16 -1.393 -1.628 7.979 1.00 0.00 ATOM 127 OD2 ASP A 16 -3.189 -2.649 7.505 1.00 0.00 ATOM 128 O ASP A 16 1.342 -6.055 8.779 1.00 0.00 ATOM 129 C ASP A 16 0.290 -5.507 9.093 1.00 0.00 ATOM 130 N MET A 17 -0.540 -6.049 9.982 1.00 0.00 ATOM 131 CA MET A 17 -0.221 -7.143 10.919 1.00 0.00 ATOM 132 CB MET A 17 -0.840 -6.861 12.286 1.00 0.00 ATOM 133 CG MET A 17 -0.305 -5.614 12.975 1.00 0.00 ATOM 134 SD MET A 17 1.474 -5.690 13.262 1.00 0.00 ATOM 135 CE MET A 17 1.568 -6.999 14.478 1.00 0.00 ATOM 136 O MET A 17 -0.616 -9.480 11.125 1.00 0.00 ATOM 137 C MET A 17 -0.814 -8.458 10.463 1.00 0.00 ATOM 138 N ASP A 18 -1.635 -8.509 9.384 1.00 0.00 ATOM 139 CA ASP A 18 -2.212 -9.759 8.914 1.00 0.00 ATOM 140 CB ASP A 18 -3.637 -9.538 8.389 1.00 0.00 ATOM 141 CG ASP A 18 -4.588 -9.072 9.477 1.00 0.00 ATOM 142 OD1 ASP A 18 -4.659 -9.742 10.531 1.00 0.00 ATOM 143 OD2 ASP A 18 -5.265 -8.040 9.280 1.00 0.00 ATOM 144 O ASP A 18 -0.905 -9.640 6.879 1.00 0.00 ATOM 145 C ASP A 18 -1.505 -10.333 7.697 1.00 0.00 ATOM 146 N VAL A 19 -1.571 -11.653 7.648 1.00 0.00 ATOM 147 CA VAL A 19 -1.069 -12.401 6.488 1.00 0.00 ATOM 148 CB VAL A 19 0.097 -13.327 6.878 1.00 0.00 ATOM 149 CG1 VAL A 19 -0.346 -14.326 7.937 1.00 0.00 ATOM 150 CG2 VAL A 19 0.633 -14.056 5.654 1.00 0.00 ATOM 151 O VAL A 19 -3.027 -13.831 6.571 1.00 0.00 ATOM 152 C VAL A 19 -2.209 -13.220 5.875 1.00 0.00 ATOM 153 N MET A 20 -2.225 -13.204 4.560 1.00 0.00 ATOM 154 CA MET A 20 -3.151 -14.009 3.757 1.00 0.00 ATOM 155 CB MET A 20 -4.152 -13.104 3.042 1.00 0.00 ATOM 156 CG MET A 20 -5.118 -13.839 2.122 1.00 0.00 ATOM 157 SD MET A 20 -6.361 -12.746 1.405 1.00 0.00 ATOM 158 CE MET A 20 -5.360 -11.794 0.267 1.00 0.00 ATOM 159 O MET A 20 -1.464 -14.379 2.085 1.00 0.00 ATOM 160 C MET A 20 -2.377 -14.880 2.763 1.00 0.00 ATOM 161 N GLU A 21 -2.793 -16.128 2.675 1.00 0.00 ATOM 162 CA GLU A 21 -2.208 -17.051 1.722 1.00 0.00 ATOM 163 CB GLU A 21 -1.456 -18.121 2.516 1.00 0.00 ATOM 164 CG GLU A 21 -0.755 -19.165 1.658 1.00 0.00 ATOM 165 CD GLU A 21 0.019 -20.137 2.503 1.00 0.00 ATOM 166 OE1 GLU A 21 -0.064 -20.048 3.704 1.00 0.00 ATOM 167 OE2 GLU A 21 0.602 -21.042 1.951 1.00 0.00 ATOM 168 O GLU A 21 -4.263 -18.222 1.198 1.00 0.00 ATOM 169 C GLU A 21 -3.254 -17.638 0.753 1.00 0.00 ATOM 170 N VAL A 22 -2.915 -17.586 -0.533 1.00 0.00 ATOM 171 CA VAL A 22 -3.822 -18.050 -1.579 1.00 0.00 ATOM 172 CB VAL A 22 -4.816 -16.981 -2.068 1.00 0.00 ATOM 173 CG1 VAL A 22 -5.766 -16.585 -0.946 1.00 0.00 ATOM 174 CG2 VAL A 22 -4.071 -15.760 -2.588 1.00 0.00 ATOM 175 O VAL A 22 -1.738 -18.402 -2.753 1.00 0.00 ATOM 176 C VAL A 22 -2.963 -18.546 -2.751 1.00 0.00 ATOM 177 N THR A 23 -3.589 -19.249 -3.645 1.00 0.00 ATOM 178 CA THR A 23 -2.936 -19.732 -4.866 1.00 0.00 ATOM 179 CB THR A 23 -2.345 -21.143 -4.688 1.00 0.00 ATOM 180 CG2 THR A 23 -1.641 -21.592 -5.961 1.00 0.00 ATOM 181 OG1 THR A 23 -1.404 -21.138 -3.605 1.00 0.00 ATOM 182 O THR A 23 -5.027 -20.171 -6.056 1.00 0.00 ATOM 183 C THR A 23 -3.899 -19.686 -6.063 1.00 0.00 ATOM 184 N GLU A 24 -3.306 -19.331 -7.195 1.00 0.00 ATOM 185 CA GLU A 24 -4.047 -19.253 -8.467 1.00 0.00 ATOM 186 CB GLU A 24 -4.564 -17.843 -8.756 1.00 0.00 ATOM 187 CG GLU A 24 -5.586 -17.329 -7.753 1.00 0.00 ATOM 188 CD GLU A 24 -6.059 -15.947 -8.113 1.00 0.00 ATOM 189 OE1 GLU A 24 -5.575 -15.407 -9.079 1.00 0.00 ATOM 190 OE2 GLU A 24 -6.980 -15.477 -7.491 1.00 0.00 ATOM 191 O GLU A 24 -1.967 -19.429 -9.661 1.00 0.00 ATOM 192 C GLU A 24 -3.160 -19.714 -9.606 1.00 0.00 ATOM 193 N GLN A 25 -3.805 -20.381 -10.539 1.00 0.00 ATOM 194 CA GLN A 25 -3.122 -20.824 -11.759 1.00 0.00 ATOM 195 CB GLN A 25 -4.081 -21.614 -12.655 1.00 0.00 ATOM 196 CG GLN A 25 -3.431 -22.201 -13.896 1.00 0.00 ATOM 197 CD GLN A 25 -4.385 -23.075 -14.689 1.00 0.00 ATOM 198 OE1 GLN A 25 -5.556 -23.228 -14.327 1.00 0.00 ATOM 199 NE2 GLN A 25 -3.889 -23.654 -15.776 1.00 0.00 ATOM 200 O GLN A 25 -3.242 -18.556 -12.611 1.00 0.00 ATOM 201 C GLN A 25 -2.574 -19.583 -12.474 1.00 0.00 ATOM 202 N THR A 26 -1.326 -19.728 -12.875 1.00 0.00 ATOM 203 CA THR A 26 -0.581 -18.666 -13.600 1.00 0.00 ATOM 204 CB THR A 26 0.850 -19.117 -13.948 1.00 0.00 ATOM 205 CG2 THR A 26 1.573 -18.034 -14.733 1.00 0.00 ATOM 206 OG1 THR A 26 1.574 -19.392 -12.741 1.00 0.00 ATOM 207 O THR A 26 -1.510 -17.134 -15.207 1.00 0.00 ATOM 208 C THR A 26 -1.303 -18.294 -14.891 1.00 0.00 ATOM 209 N LYS A 27 -1.833 -19.339 -15.511 1.00 0.00 ATOM 210 CA LYS A 27 -2.613 -19.229 -16.756 1.00 0.00 ATOM 211 CB LYS A 27 -2.440 -20.699 -17.451 1.00 0.00 ATOM 212 CG LYS A 27 -0.976 -21.002 -17.779 1.00 0.00 ATOM 213 CD LYS A 27 -0.736 -22.105 -18.863 1.00 0.00 ATOM 214 CE LYS A 27 -1.509 -23.389 -18.619 1.00 0.00 ATOM 215 NZ LYS A 27 -0.676 -24.593 -19.024 1.00 0.00 ATOM 216 O LYS A 27 -4.588 -18.121 -17.530 1.00 0.00 ATOM 217 C LYS A 27 -3.963 -18.547 -16.561 1.00 0.00 ATOM 218 N GLU A 28 -4.459 -18.555 -15.304 1.00 0.00 ATOM 219 CA GLU A 28 -5.748 -17.931 -15.029 1.00 0.00 ATOM 220 CB GLU A 28 -6.491 -18.851 -13.981 1.00 0.00 ATOM 221 CG GLU A 28 -6.970 -20.188 -14.532 1.00 0.00 ATOM 222 CD GLU A 28 -7.854 -20.940 -13.544 1.00 0.00 ATOM 223 OE1 GLU A 28 -8.370 -20.294 -12.602 1.00 0.00 ATOM 224 OE2 GLU A 28 -8.043 -22.164 -13.715 1.00 0.00 ATOM 225 O GLU A 28 -6.569 -15.736 -14.549 1.00 0.00 ATOM 226 C GLU A 28 -5.584 -16.442 -14.762 1.00 0.00 ATOM 227 N ALA A 29 -4.314 -15.916 -14.761 1.00 0.00 ATOM 228 CA ALA A 29 -4.057 -14.502 -14.517 1.00 0.00 ATOM 229 CB ALA A 29 -2.542 -14.266 -14.391 1.00 0.00 ATOM 230 O ALA A 29 -3.894 -13.610 -16.742 1.00 0.00 ATOM 231 C ALA A 29 -4.529 -13.627 -15.688 1.00 0.00 ATOM 232 N GLU A 30 -5.441 -12.721 -15.359 1.00 0.00 ATOM 233 CA GLU A 30 -5.987 -11.763 -16.344 1.00 0.00 ATOM 234 CB GLU A 30 -7.319 -11.202 -15.843 1.00 0.00 ATOM 235 CG GLU A 30 -8.434 -12.231 -15.727 1.00 0.00 ATOM 236 CD GLU A 30 -8.731 -12.868 -17.056 1.00 0.00 ATOM 237 OE1 GLU A 30 -8.956 -12.149 -18.001 1.00 0.00 ATOM 238 OE2 GLU A 30 -8.623 -14.067 -17.157 1.00 0.00 ATOM 239 O GLU A 30 -4.371 -10.581 -17.682 1.00 0.00 ATOM 240 C GLU A 30 -4.995 -10.626 -16.619 1.00 0.00 ATOM 241 N TYR A 31 -4.571 -9.972 -15.525 1.00 0.00 ATOM 242 CA TYR A 31 -3.553 -8.890 -15.563 1.00 0.00 ATOM 243 CB TYR A 31 -4.010 -7.733 -16.476 1.00 0.00 ATOM 244 CG TYR A 31 -5.385 -7.203 -16.100 1.00 0.00 ATOM 245 CD1 TYR A 31 -5.538 -6.291 -15.087 1.00 0.00 ATOM 246 CD2 TYR A 31 -6.511 -7.667 -16.752 1.00 0.00 ATOM 247 CE1 TYR A 31 -6.799 -5.844 -14.744 1.00 0.00 ATOM 248 CE2 TYR A 31 -7.756 -7.192 -16.415 1.00 0.00 ATOM 249 CZ TYR A 31 -7.911 -6.260 -15.417 1.00 0.00 ATOM 250 OH TYR A 31 -9.005 -5.463 -15.363 1.00 0.00 ATOM 251 O TYR A 31 -3.566 -8.903 -13.140 1.00 0.00 ATOM 252 C TYR A 31 -3.155 -8.383 -14.172 1.00 0.00 ATOM 253 N THR A 32 -2.374 -7.303 -14.168 1.00 0.00 ATOM 254 CA THR A 32 -1.862 -6.662 -12.936 1.00 0.00 ATOM 255 CB THR A 32 -0.867 -5.530 -13.258 1.00 0.00 ATOM 256 CG2 THR A 32 -0.405 -4.847 -11.980 1.00 0.00 ATOM 257 OG1 THR A 32 0.269 -6.072 -13.945 1.00 0.00 ATOM 258 O THR A 32 -2.943 -6.268 -10.830 1.00 0.00 ATOM 259 C THR A 32 -2.955 -6.080 -12.054 1.00 0.00 ATOM 260 N TYR A 33 -3.865 -5.300 -12.611 1.00 0.00 ATOM 261 CA TYR A 33 -4.926 -4.667 -11.840 1.00 0.00 ATOM 262 CB TYR A 33 -5.653 -3.631 -12.634 1.00 0.00 ATOM 263 CG TYR A 33 -4.746 -2.507 -13.099 1.00 0.00 ATOM 264 CD1 TYR A 33 -4.012 -2.619 -14.281 1.00 0.00 ATOM 265 CD2 TYR A 33 -4.598 -1.346 -12.344 1.00 0.00 ATOM 266 CE1 TYR A 33 -3.153 -1.607 -14.696 1.00 0.00 ATOM 267 CE2 TYR A 33 -3.741 -0.328 -12.751 1.00 0.00 ATOM 268 CZ TYR A 33 -3.021 -0.466 -13.924 1.00 0.00 ATOM 269 OH TYR A 33 -2.157 0.527 -14.316 1.00 0.00 ATOM 270 O TYR A 33 -6.170 -5.628 -10.043 1.00 0.00 ATOM 271 C TYR A 33 -5.869 -5.723 -11.230 1.00 0.00 ATOM 272 N ASP A 34 -6.156 -6.798 -11.950 1.00 0.00 ATOM 273 CA ASP A 34 -6.986 -7.888 -11.393 1.00 0.00 ATOM 274 CB ASP A 34 -7.401 -8.863 -12.497 1.00 0.00 ATOM 275 CG ASP A 34 -8.397 -9.926 -12.057 1.00 0.00 ATOM 276 OD1 ASP A 34 -9.478 -9.570 -11.651 1.00 0.00 ATOM 277 OD2 ASP A 34 -8.134 -11.085 -12.275 1.00 0.00 ATOM 278 O ASP A 34 -6.856 -8.929 -9.251 1.00 0.00 ATOM 279 C ASP A 34 -6.250 -8.612 -10.278 1.00 0.00 ATOM 280 N PHE A 35 -4.949 -8.888 -10.458 1.00 0.00 ATOM 281 CA PHE A 35 -4.131 -9.493 -9.410 1.00 0.00 ATOM 282 CB PHE A 35 -2.750 -9.832 -9.976 1.00 0.00 ATOM 283 CG PHE A 35 -2.644 -11.293 -10.394 1.00 0.00 ATOM 284 CD1 PHE A 35 -3.720 -11.950 -10.967 1.00 0.00 ATOM 285 CD2 PHE A 35 -1.437 -11.968 -10.199 1.00 0.00 ATOM 286 CE1 PHE A 35 -3.596 -13.269 -11.348 1.00 0.00 ATOM 287 CE2 PHE A 35 -1.317 -13.289 -10.593 1.00 0.00 ATOM 288 CZ PHE A 35 -2.393 -13.944 -11.165 1.00 0.00 ATOM 289 O PHE A 35 -4.238 -9.073 -7.076 1.00 0.00 ATOM 290 C PHE A 35 -4.086 -8.598 -8.191 1.00 0.00 ATOM 291 N LYS A 36 -3.838 -7.306 -8.383 1.00 0.00 ATOM 292 CA LYS A 36 -3.731 -6.404 -7.244 1.00 0.00 ATOM 293 CB LYS A 36 -3.432 -5.004 -7.815 1.00 0.00 ATOM 294 CG LYS A 36 -4.683 -4.178 -8.116 1.00 0.00 ATOM 295 CD LYS A 36 -4.425 -2.719 -8.385 1.00 0.00 ATOM 296 CE LYS A 36 -5.750 -2.168 -8.875 1.00 0.00 ATOM 297 NZ LYS A 36 -5.590 -0.722 -8.825 1.00 0.00 ATOM 298 O LYS A 36 -5.011 -6.435 -5.215 1.00 0.00 ATOM 299 C LYS A 36 -5.028 -6.443 -6.447 1.00 0.00 ATOM 300 N GLU A 37 -6.180 -6.531 -7.146 1.00 0.00 ATOM 301 CA GLU A 37 -7.479 -6.587 -6.492 1.00 0.00 ATOM 302 CB GLU A 37 -8.566 -6.435 -7.558 1.00 0.00 ATOM 303 CG GLU A 37 -8.639 -5.051 -8.189 1.00 0.00 ATOM 304 CD GLU A 37 -9.639 -5.014 -9.310 1.00 0.00 ATOM 305 OE1 GLU A 37 -10.192 -6.042 -9.622 1.00 0.00 ATOM 306 OE2 GLU A 37 -9.934 -3.942 -9.782 1.00 0.00 ATOM 307 O GLU A 37 -8.070 -7.828 -4.558 1.00 0.00 ATOM 308 C GLU A 37 -7.633 -7.875 -5.732 1.00 0.00 ATOM 309 N ILE A 38 -7.234 -9.010 -6.302 1.00 0.00 ATOM 310 CA ILE A 38 -7.298 -10.311 -5.562 1.00 0.00 ATOM 311 CB ILE A 38 -6.868 -11.469 -6.506 1.00 0.00 ATOM 312 CG1 ILE A 38 -7.937 -11.668 -7.593 1.00 0.00 ATOM 313 CG2 ILE A 38 -6.624 -12.783 -5.739 1.00 0.00 ATOM 314 CD1 ILE A 38 -7.488 -12.539 -8.771 1.00 0.00 ATOM 315 O ILE A 38 -6.746 -10.766 -3.224 1.00 0.00 ATOM 316 C ILE A 38 -6.413 -10.276 -4.298 1.00 0.00 ATOM 317 N LEU A 39 -5.269 -9.630 -4.442 1.00 0.00 ATOM 318 CA LEU A 39 -4.298 -9.563 -3.337 1.00 0.00 ATOM 319 CB LEU A 39 -2.840 -9.598 -3.964 1.00 0.00 ATOM 320 CG LEU A 39 -2.388 -10.874 -4.667 1.00 0.00 ATOM 321 CD1 LEU A 39 -1.054 -10.664 -5.323 1.00 0.00 ATOM 322 CD2 LEU A 39 -2.346 -12.012 -3.707 1.00 0.00 ATOM 323 O LEU A 39 -4.104 -8.523 -1.179 1.00 0.00 ATOM 324 C LEU A 39 -4.620 -8.498 -2.296 1.00 0.00 ATOM 325 N SER A 40 -5.550 -7.698 -2.564 1.00 0.00 ATOM 326 CA SER A 40 -5.952 -6.604 -1.684 1.00 0.00 ATOM 327 CB SER A 40 -5.188 -5.307 -1.853 1.00 0.00 ATOM 328 OG SER A 40 -3.831 -5.448 -1.530 1.00 0.00 ATOM 329 O SER A 40 -7.966 -5.254 -2.058 1.00 0.00 ATOM 330 C SER A 40 -7.447 -6.343 -1.808 1.00 0.00 ATOM 331 N GLU A 41 -8.088 -7.420 -1.441 1.00 0.00 ATOM 332 CA GLU A 41 -9.517 -7.432 -1.056 1.00 0.00 ATOM 333 CB GLU A 41 -9.982 -8.863 -0.786 1.00 0.00 ATOM 334 CG GLU A 41 -10.107 -9.729 -2.031 1.00 0.00 ATOM 335 CD GLU A 41 -10.474 -11.144 -1.678 1.00 0.00 ATOM 336 OE1 GLU A 41 -10.554 -11.443 -0.511 1.00 0.00 ATOM 337 OE2 GLU A 41 -10.788 -11.896 -2.570 1.00 0.00 ATOM 338 O GLU A 41 -10.641 -5.749 0.278 1.00 0.00 ATOM 339 C GLU A 41 -9.609 -6.390 0.084 1.00 0.00 ATOM 340 N PHE A 42 -8.428 -6.123 0.765 1.00 0.00 ATOM 341 CA PHE A 42 -8.341 -5.076 1.759 1.00 0.00 ATOM 342 CB PHE A 42 -7.313 -5.390 2.725 1.00 0.00 ATOM 343 CG PHE A 42 -8.055 -6.062 3.838 1.00 0.00 ATOM 344 CD1 PHE A 42 -8.930 -5.336 4.642 1.00 0.00 ATOM 345 CD2 PHE A 42 -7.931 -7.430 4.051 1.00 0.00 ATOM 346 CE1 PHE A 42 -9.673 -5.964 5.635 1.00 0.00 ATOM 347 CE2 PHE A 42 -8.669 -8.067 5.044 1.00 0.00 ATOM 348 CZ PHE A 42 -9.544 -7.329 5.838 1.00 0.00 ATOM 349 O PHE A 42 -6.756 -3.605 0.696 1.00 0.00 ATOM 350 C PHE A 42 -7.939 -3.837 0.960 1.00 0.00 ATOM 351 N ASN A 43 -8.938 -3.172 0.424 1.00 0.00 ATOM 352 CA ASN A 43 -8.611 -2.095 -0.527 1.00 0.00 ATOM 353 CB ASN A 43 -9.918 -1.375 -0.785 1.00 0.00 ATOM 354 CG ASN A 43 -10.648 -2.199 -1.823 1.00 0.00 ATOM 355 ND2 ASN A 43 -11.932 -2.437 -1.582 1.00 0.00 ATOM 356 OD1 ASN A 43 -10.085 -2.650 -2.835 1.00 0.00 ATOM 357 O ASN A 43 -8.259 -0.437 1.182 1.00 0.00 ATOM 358 C ASN A 43 -7.856 -0.982 0.146 1.00 0.00 ATOM 359 N GLY A 44 -6.791 -0.537 -0.503 1.00 0.00 ATOM 360 CA GLY A 44 -6.044 0.634 -0.037 1.00 0.00 ATOM 361 O GLY A 44 -4.135 1.118 1.305 1.00 0.00 ATOM 362 C GLY A 44 -4.980 0.277 0.986 1.00 0.00 ATOM 363 N LYS A 45 -5.013 -0.977 1.483 1.00 0.00 ATOM 364 CA LYS A 45 -4.021 -1.433 2.463 1.00 0.00 ATOM 365 CB LYS A 45 -4.505 -2.715 3.139 1.00 0.00 ATOM 366 CG LYS A 45 -5.765 -2.548 3.978 1.00 0.00 ATOM 367 CD LYS A 45 -5.512 -1.656 5.185 1.00 0.00 ATOM 368 CE LYS A 45 -6.759 -1.520 6.046 1.00 0.00 ATOM 369 NZ LYS A 45 -6.545 -0.597 7.193 1.00 0.00 ATOM 370 O LYS A 45 -2.507 -2.231 0.777 1.00 0.00 ATOM 371 C LYS A 45 -2.653 -1.633 1.858 1.00 0.00 ATOM 372 N ASN A 46 -1.616 -1.232 2.586 1.00 0.00 ATOM 373 CA ASN A 46 -0.274 -1.397 2.081 1.00 0.00 ATOM 374 CB ASN A 46 0.685 -0.384 2.677 1.00 0.00 ATOM 375 CG ASN A 46 2.093 -0.506 2.161 1.00 0.00 ATOM 376 ND2 ASN A 46 2.848 0.550 2.326 1.00 0.00 ATOM 377 OD1 ASN A 46 2.510 -1.569 1.687 1.00 0.00 ATOM 378 O ASN A 46 -0.000 -3.296 3.562 1.00 0.00 ATOM 379 C ASN A 46 0.174 -2.807 2.450 1.00 0.00 ATOM 380 N VAL A 47 0.621 -3.474 1.394 1.00 0.00 ATOM 381 CA VAL A 47 0.931 -4.907 1.460 1.00 0.00 ATOM 382 CB VAL A 47 -0.143 -5.750 0.748 1.00 0.00 ATOM 383 CG1 VAL A 47 -1.520 -5.455 1.326 1.00 0.00 ATOM 384 CG2 VAL A 47 -0.126 -5.482 -0.749 1.00 0.00 ATOM 385 O VAL A 47 2.784 -4.635 -0.059 1.00 0.00 ATOM 386 C VAL A 47 2.291 -5.287 0.858 1.00 0.00 ATOM 387 N SER A 48 2.770 -6.431 1.318 1.00 0.00 ATOM 388 CA SER A 48 3.941 -7.122 0.732 1.00 0.00 ATOM 389 CB SER A 48 5.027 -7.303 1.789 1.00 0.00 ATOM 390 OG SER A 48 6.079 -8.099 1.265 1.00 0.00 ATOM 391 O SER A 48 2.873 -9.225 0.849 1.00 0.00 ATOM 392 C SER A 48 3.467 -8.429 0.146 1.00 0.00 ATOM 393 N ILE A 49 3.731 -8.617 -1.131 1.00 0.00 ATOM 394 CA ILE A 49 3.194 -9.737 -1.902 1.00 0.00 ATOM 395 CB ILE A 49 2.335 -9.388 -3.150 1.00 0.00 ATOM 396 CG1 ILE A 49 1.211 -8.410 -2.798 1.00 0.00 ATOM 397 CG2 ILE A 49 1.754 -10.660 -3.760 1.00 0.00 ATOM 398 CD1 ILE A 49 0.208 -8.950 -1.792 1.00 0.00 ATOM 399 O ILE A 49 5.192 -10.128 -3.105 1.00 0.00 ATOM 400 C ILE A 49 4.302 -10.617 -2.422 1.00 0.00 ATOM 401 N THR A 50 4.220 -11.898 -2.117 1.00 0.00 ATOM 402 CA THR A 50 5.245 -12.810 -2.602 1.00 0.00 ATOM 403 CB THR A 50 6.134 -13.266 -1.439 1.00 0.00 ATOM 404 CG2 THR A 50 6.809 -12.089 -0.736 1.00 0.00 ATOM 405 OG1 THR A 50 5.377 -14.043 -0.515 1.00 0.00 ATOM 406 O THR A 50 3.566 -14.532 -2.779 1.00 0.00 ATOM 407 C THR A 50 4.603 -14.033 -3.227 1.00 0.00 ATOM 408 N VAL A 51 5.340 -14.573 -4.182 1.00 0.00 ATOM 409 CA VAL A 51 4.931 -15.790 -4.917 1.00 0.00 ATOM 410 CB VAL A 51 4.538 -15.499 -6.403 1.00 0.00 ATOM 411 CG1 VAL A 51 3.436 -14.517 -6.477 1.00 0.00 ATOM 412 CG2 VAL A 51 5.750 -14.991 -7.153 1.00 0.00 ATOM 413 O VAL A 51 7.212 -16.571 -4.959 1.00 0.00 ATOM 414 C VAL A 51 6.020 -16.869 -4.926 1.00 0.00 ATOM 415 N LYS A 52 5.555 -18.095 -5.097 1.00 0.00 ATOM 416 CA LYS A 52 6.446 -19.258 -5.223 1.00 0.00 ATOM 417 CB LYS A 52 5.993 -20.382 -4.288 1.00 0.00 ATOM 418 CG LYS A 52 6.916 -21.594 -4.267 1.00 0.00 ATOM 419 CD LYS A 52 6.360 -22.698 -3.382 1.00 0.00 ATOM 420 CE LYS A 52 6.463 -22.332 -1.909 1.00 0.00 ATOM 421 NZ LYS A 52 6.092 -23.471 -1.025 1.00 0.00 ATOM 422 O LYS A 52 5.788 -20.734 -7.030 1.00 0.00 ATOM 423 C LYS A 52 6.517 -19.820 -6.635 1.00 0.00 ATOM 424 N GLU A 53 7.605 -19.406 -7.257 1.00 0.00 ATOM 425 CA GLU A 53 8.073 -20.083 -8.471 1.00 0.00 ATOM 426 CB GLU A 53 8.421 -19.046 -9.542 1.00 0.00 ATOM 427 CG GLU A 53 7.229 -18.268 -10.078 1.00 0.00 ATOM 428 CD GLU A 53 7.669 -17.125 -10.950 1.00 0.00 ATOM 429 OE1 GLU A 53 8.852 -16.943 -11.103 1.00 0.00 ATOM 430 OE2 GLU A 53 6.825 -16.503 -11.550 1.00 0.00 ATOM 431 O GLU A 53 10.384 -20.670 -8.150 1.00 0.00 ATOM 432 C GLU A 53 9.210 -20.867 -7.821 1.00 0.00 ATOM 433 N GLU A 54 8.732 -21.773 -6.878 1.00 0.00 ATOM 434 CA GLU A 54 9.686 -22.608 -6.147 1.00 0.00 ATOM 435 CB GLU A 54 10.649 -23.563 -6.858 1.00 0.00 ATOM 436 CG GLU A 54 11.455 -24.453 -5.922 1.00 0.00 ATOM 437 CD GLU A 54 10.570 -25.441 -5.213 1.00 0.00 ATOM 438 OE1 GLU A 54 9.442 -25.594 -5.614 1.00 0.00 ATOM 439 OE2 GLU A 54 11.056 -26.125 -4.344 1.00 0.00 ATOM 440 O GLU A 54 10.109 -21.767 -4.006 1.00 0.00 ATOM 441 C GLU A 54 10.481 -21.753 -5.165 1.00 0.00 ATOM 442 N ASN A 55 11.241 -20.783 -5.637 1.00 0.00 ATOM 443 CA ASN A 55 11.790 -19.722 -4.774 1.00 0.00 ATOM 444 CB ASN A 55 13.126 -19.224 -5.294 1.00 0.00 ATOM 445 CG ASN A 55 14.213 -20.262 -5.265 1.00 0.00 ATOM 446 ND2 ASN A 55 14.791 -20.507 -6.414 1.00 0.00 ATOM 447 OD1 ASN A 55 14.575 -20.779 -4.202 1.00 0.00 ATOM 448 O ASN A 55 10.243 -18.071 -5.612 1.00 0.00 ATOM 449 C ASN A 55 10.807 -18.557 -4.632 1.00 0.00 ATOM 450 N GLU A 56 10.694 -18.092 -3.399 1.00 0.00 ATOM 451 CA GLU A 56 9.847 -16.936 -3.068 1.00 0.00 ATOM 452 CB GLU A 56 9.686 -16.809 -1.551 1.00 0.00 ATOM 453 CG GLU A 56 8.716 -15.719 -1.111 1.00 0.00 ATOM 454 CD GLU A 56 8.590 -15.674 0.386 1.00 0.00 ATOM 455 OE1 GLU A 56 9.188 -16.495 1.038 1.00 0.00 ATOM 456 OE2 GLU A 56 7.986 -14.753 0.883 1.00 0.00 ATOM 457 O GLU A 56 11.575 -15.275 -3.365 1.00 0.00 ATOM 458 C GLU A 56 10.445 -15.659 -3.663 1.00 0.00 ATOM 459 N LEU A 57 9.631 -15.035 -4.497 1.00 0.00 ATOM 460 CA LEU A 57 10.000 -13.775 -5.150 1.00 0.00 ATOM 461 CB LEU A 57 10.139 -13.942 -6.663 1.00 0.00 ATOM 462 CG LEU A 57 11.268 -14.826 -7.200 1.00 0.00 ATOM 463 CD1 LEU A 57 11.126 -14.947 -8.700 1.00 0.00 ATOM 464 CD2 LEU A 57 12.613 -14.237 -6.826 1.00 0.00 ATOM 465 O LEU A 57 7.763 -13.000 -4.828 1.00 0.00 ATOM 466 C LEU A 57 8.960 -12.695 -4.856 1.00 0.00 ATOM 467 N PRO A 58 9.426 -11.439 -4.737 1.00 0.00 ATOM 468 CA PRO A 58 8.533 -10.306 -4.477 1.00 0.00 ATOM 469 CB PRO A 58 9.446 -9.180 -4.021 1.00 0.00 ATOM 470 CG PRO A 58 10.755 -9.472 -4.759 1.00 0.00 ATOM 471 CD PRO A 58 10.835 -10.992 -4.791 1.00 0.00 ATOM 472 O PRO A 58 8.273 -9.830 -6.860 1.00 0.00 ATOM 473 C PRO A 58 7.759 -9.940 -5.740 1.00 0.00 ATOM 474 N VAL A 59 6.492 -9.693 -5.493 1.00 0.00 ATOM 475 CA VAL A 59 5.587 -9.265 -6.564 1.00 0.00 ATOM 476 CB VAL A 59 4.285 -10.069 -6.568 1.00 0.00 ATOM 477 CG1 VAL A 59 3.510 -9.845 -7.862 1.00 0.00 ATOM 478 CG2 VAL A 59 4.610 -11.552 -6.525 1.00 0.00 ATOM 479 O VAL A 59 4.498 -7.268 -5.777 1.00 0.00 ATOM 480 C VAL A 59 5.397 -7.752 -6.467 1.00 0.00 ATOM 481 N LYS A 60 6.331 -7.022 -7.114 1.00 0.00 ATOM 482 CA LYS A 60 6.286 -5.567 -7.068 1.00 0.00 ATOM 483 CB LYS A 60 7.476 -5.048 -7.875 1.00 0.00 ATOM 484 CG LYS A 60 8.835 -5.333 -7.247 1.00 0.00 ATOM 485 CD LYS A 60 9.966 -4.788 -8.105 1.00 0.00 ATOM 486 CE LYS A 60 11.325 -5.099 -7.494 1.00 0.00 ATOM 487 NZ LYS A 60 12.442 -4.596 -8.338 1.00 0.00 ATOM 488 O LYS A 60 4.462 -4.022 -7.161 1.00 0.00 ATOM 489 C LYS A 60 5.002 -5.007 -7.661 1.00 0.00 ATOM 490 N GLY A 61 4.517 -5.622 -8.775 1.00 0.00 ATOM 491 CA GLY A 61 3.302 -5.174 -9.434 1.00 0.00 ATOM 492 O GLY A 61 1.400 -4.209 -8.318 1.00 0.00 ATOM 493 C GLY A 61 2.113 -5.211 -8.488 1.00 0.00 ATOM 494 N VAL A 62 1.938 -6.334 -7.836 1.00 0.00 ATOM 495 CA VAL A 62 0.828 -6.468 -6.899 1.00 0.00 ATOM 496 CB VAL A 62 0.619 -7.897 -6.437 1.00 0.00 ATOM 497 CG1 VAL A 62 -0.680 -7.838 -5.657 1.00 0.00 ATOM 498 CG2 VAL A 62 0.371 -8.922 -7.546 1.00 0.00 ATOM 499 O VAL A 62 -0.047 -4.940 -5.233 1.00 0.00 ATOM 500 C VAL A 62 0.964 -5.527 -5.696 1.00 0.00 ATOM 501 N GLU A 63 2.171 -5.421 -5.181 1.00 0.00 ATOM 502 CA GLU A 63 2.436 -4.545 -4.030 1.00 0.00 ATOM 503 CB GLU A 63 3.890 -4.713 -3.583 1.00 0.00 ATOM 504 CG GLU A 63 4.141 -5.932 -2.706 1.00 0.00 ATOM 505 CD GLU A 63 5.603 -6.091 -2.398 1.00 0.00 ATOM 506 OE1 GLU A 63 6.387 -5.330 -2.913 1.00 0.00 ATOM 507 OE2 GLU A 63 5.929 -6.901 -1.562 1.00 0.00 ATOM 508 O GLU A 63 1.808 -2.259 -3.472 1.00 0.00 ATOM 509 C GLU A 63 2.137 -3.062 -4.341 1.00 0.00 ATOM 510 N MET A 64 2.131 -2.742 -5.633 1.00 0.00 ATOM 511 CA MET A 64 1.751 -1.427 -6.149 1.00 0.00 ATOM 512 CB MET A 64 1.934 -1.381 -7.665 1.00 0.00 ATOM 513 CG MET A 64 1.635 -0.027 -8.295 1.00 0.00 ATOM 514 SD MET A 64 1.875 -0.024 -10.083 1.00 0.00 ATOM 515 CE MET A 64 0.457 -0.976 -10.617 1.00 0.00 ATOM 516 O MET A 64 0.018 0.155 -5.627 1.00 0.00 ATOM 517 C MET A 64 0.306 -1.023 -5.788 1.00 0.00 ATOM 518 N ALA A 65 -0.638 -1.954 -5.837 1.00 0.00 ATOM 519 CA ALA A 65 -2.017 -1.660 -5.366 1.00 0.00 ATOM 520 CB ALA A 65 -2.936 -2.832 -5.506 1.00 0.00 ATOM 521 O ALA A 65 -2.601 -0.319 -3.444 1.00 0.00 ATOM 522 C ALA A 65 -1.989 -1.303 -3.870 1.00 0.00 ATOM 523 N GLY A 66 -1.251 -2.107 -3.097 1.00 0.00 ATOM 524 CA GLY A 66 -1.116 -1.834 -1.672 1.00 0.00 ATOM 525 O GLY A 66 -0.859 0.249 -0.523 1.00 0.00 ATOM 526 C GLY A 66 -0.425 -0.515 -1.389 1.00 0.00 ATOM 527 N ASP A 67 0.489 -0.128 -2.235 1.00 0.00 ATOM 528 CA ASP A 67 1.290 1.083 -2.071 1.00 0.00 ATOM 529 CB ASP A 67 2.378 0.924 -1.007 1.00 0.00 ATOM 530 CG ASP A 67 3.052 2.226 -0.595 1.00 0.00 ATOM 531 OD1 ASP A 67 2.612 3.263 -1.031 1.00 0.00 ATOM 532 OD2 ASP A 67 3.896 2.188 0.268 1.00 0.00 ATOM 533 O ASP A 67 3.011 1.060 -3.786 1.00 0.00 ATOM 534 C ASP A 67 1.924 1.489 -3.416 1.00 0.00 ATOM 535 N PRO A 68 1.154 2.263 -4.209 1.00 0.00 ATOM 536 CA PRO A 68 1.654 2.720 -5.520 1.00 0.00 ATOM 537 CB PRO A 68 0.556 3.629 -6.042 1.00 0.00 ATOM 538 CG PRO A 68 -0.678 3.000 -5.430 1.00 0.00 ATOM 539 CD PRO A 68 -0.237 2.670 -4.012 1.00 0.00 ATOM 540 O PRO A 68 3.796 3.526 -6.224 1.00 0.00 ATOM 541 C PRO A 68 2.939 3.518 -5.340 1.00 0.00 ATOM 542 N LEU A 69 3.045 4.228 -4.182 1.00 0.00 ATOM 543 CA LEU A 69 4.228 5.052 -3.928 1.00 0.00 ATOM 544 CB LEU A 69 4.010 5.837 -2.619 1.00 0.00 ATOM 545 CG LEU A 69 2.951 6.950 -2.694 1.00 0.00 ATOM 546 CD1 LEU A 69 2.692 7.412 -1.320 1.00 0.00 ATOM 547 CD2 LEU A 69 3.418 8.048 -3.616 1.00 0.00 ATOM 548 O LEU A 69 6.536 4.549 -4.362 1.00 0.00 ATOM 549 C LEU A 69 5.490 4.197 -3.823 1.00 0.00 ATOM 550 N GLU A 70 5.373 3.022 -3.163 1.00 0.00 ATOM 551 CA GLU A 70 6.508 2.125 -2.981 1.00 0.00 ATOM 552 CB GLU A 70 6.167 1.015 -1.985 1.00 0.00 ATOM 553 CG GLU A 70 7.320 0.069 -1.679 1.00 0.00 ATOM 554 CD GLU A 70 6.927 -0.958 -0.654 1.00 0.00 ATOM 555 OE1 GLU A 70 5.809 -0.919 -0.200 1.00 0.00 ATOM 556 OE2 GLU A 70 7.706 -1.849 -0.406 1.00 0.00 ATOM 557 O GLU A 70 8.172 1.459 -4.605 1.00 0.00 ATOM 558 C GLU A 70 6.984 1.517 -4.299 1.00 0.00 ATOM 559 N HIS A 71 6.021 1.104 -5.116 1.00 0.00 ATOM 560 CA HIS A 71 6.344 0.573 -6.441 1.00 0.00 ATOM 561 CB HIS A 71 5.087 0.028 -7.126 1.00 0.00 ATOM 562 CG HIS A 71 5.346 -0.553 -8.482 1.00 0.00 ATOM 563 CD2 HIS A 71 5.252 -0.010 -9.718 1.00 0.00 ATOM 564 ND1 HIS A 71 5.757 -1.857 -8.665 1.00 0.00 ATOM 565 CE1 HIS A 71 5.904 -2.090 -9.959 1.00 0.00 ATOM 566 NE2 HIS A 71 5.604 -0.986 -10.617 1.00 0.00 ATOM 567 O HIS A 71 7.981 1.346 -8.033 1.00 0.00 ATOM 568 C HIS A 71 7.010 1.631 -7.322 1.00 0.00 ATOM 569 N HIS A 72 6.481 2.855 -7.268 1.00 0.00 ATOM 570 CA HIS A 72 7.065 4.009 -7.982 1.00 0.00 ATOM 571 CB HIS A 72 6.231 5.272 -7.747 1.00 0.00 ATOM 572 CG HIS A 72 6.786 6.491 -8.413 1.00 0.00 ATOM 573 CD2 HIS A 72 7.428 7.572 -7.906 1.00 0.00 ATOM 574 ND1 HIS A 72 6.709 6.697 -9.775 1.00 0.00 ATOM 575 CE1 HIS A 72 7.280 7.851 -10.076 1.00 0.00 ATOM 576 NE2 HIS A 72 7.723 8.399 -8.961 1.00 0.00 ATOM 577 O HIS A 72 9.421 4.342 -8.374 1.00 0.00 ATOM 578 C HIS A 72 8.515 4.220 -7.544 1.00 0.00 ATOM 579 N HIS A 73 8.755 4.205 -6.208 1.00 0.00 ATOM 580 CA HIS A 73 10.092 4.404 -5.653 1.00 0.00 ATOM 581 CB HIS A 73 10.004 4.447 -4.120 1.00 0.00 ATOM 582 CG HIS A 73 11.377 4.742 -3.513 1.00 0.00 ATOM 583 CD2 HIS A 73 12.165 3.880 -2.870 1.00 0.00 ATOM 584 ND1 HIS A 73 11.950 5.940 -3.552 1.00 0.00 ATOM 585 CE1 HIS A 73 13.103 5.788 -2.925 1.00 0.00 ATOM 586 NE2 HIS A 73 13.235 4.552 -2.460 1.00 0.00 ATOM 587 O HIS A 73 12.258 3.478 -6.105 1.00 0.00 ATOM 588 C HIS A 73 11.055 3.285 -6.047 1.00 0.00 ATOM 589 N HIS A 74 10.565 2.054 -6.057 1.00 0.00 ATOM 590 CA HIS A 74 11.418 0.923 -6.456 1.00 0.00 ATOM 591 CB HIS A 74 10.738 -0.411 -6.132 1.00 0.00 ATOM 592 CG HIS A 74 10.653 -0.702 -4.665 1.00 0.00 ATOM 593 CD2 HIS A 74 11.268 -0.127 -3.605 1.00 0.00 ATOM 594 ND1 HIS A 74 9.849 -1.697 -4.150 1.00 0.00 ATOM 595 CE1 HIS A 74 9.974 -1.724 -2.834 1.00 0.00 ATOM 596 NE2 HIS A 74 10.831 -0.781 -2.480 1.00 0.00 ATOM 597 O HIS A 74 12.899 0.864 -8.345 1.00 0.00 ATOM 598 C HIS A 74 11.750 1.012 -7.941 1.00 0.00 ATOM 599 N HIS A 75 10.721 1.175 -8.761 1.00 0.00 ATOM 600 CA HIS A 75 10.896 1.273 -10.221 1.00 0.00 ATOM 601 CB HIS A 75 9.540 1.414 -10.920 1.00 0.00 ATOM 602 CG HIS A 75 9.617 1.306 -12.412 1.00 0.00 ATOM 603 CD2 HIS A 75 10.656 1.019 -13.233 1.00 0.00 ATOM 604 ND1 HIS A 75 8.526 1.506 -13.229 1.00 0.00 ATOM 605 CE1 HIS A 75 8.889 1.345 -14.491 1.00 0.00 ATOM 606 NE2 HIS A 75 10.176 1.049 -14.519 1.00 0.00 ATOM 607 O HIS A 75 12.688 2.302 -11.452 1.00 0.00 ATOM 608 C HIS A 75 11.779 2.470 -10.649 1.00 0.00 ATOM 609 N HIS A 76 11.507 3.624 -10.041 1.00 0.00 ATOM 610 CA HIS A 76 12.233 4.886 -10.309 1.00 0.00 ATOM 611 CB HIS A 76 11.268 6.052 -10.551 1.00 0.00 ATOM 612 CG HIS A 76 10.421 5.886 -11.774 1.00 0.00 ATOM 613 CD2 HIS A 76 9.139 5.478 -11.923 1.00 0.00 ATOM 614 ND1 HIS A 76 10.886 6.160 -13.044 1.00 0.00 ATOM 615 CE1 HIS A 76 9.925 5.926 -13.921 1.00 0.00 ATOM 616 NE2 HIS A 76 8.855 5.511 -13.265 1.00 0.00 ATOM 617 O HIS A 76 13.193 4.520 -8.173 1.00 0.00 ATOM 618 C HIS A 76 13.182 5.258 -9.157 1.00 0.00 ENDMDL EXPDTA 2h4oA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h4oA ATOM 1 N ALA 2 -14.899 -30.041 12.533 1.00 0.00 ATOM 2 CA ALA 2 -13.943 -29.956 11.382 1.00 0.00 ATOM 3 CB ALA 2 -13.381 -31.341 11.080 1.00 0.00 ATOM 4 O ALA 2 -13.932 -29.015 9.150 1.00 0.00 ATOM 5 C ALA 2 -14.597 -29.381 10.125 1.00 0.00 ATOM 6 N SER 3 -15.918 -29.334 10.139 1.00 0.00 ATOM 7 CA SER 3 -16.650 -28.798 9.019 1.00 0.00 ATOM 8 CB SER 3 -18.135 -29.001 9.270 1.00 0.00 ATOM 9 OG SER 3 -18.342 -30.323 9.734 1.00 0.00 ATOM 10 O SER 3 -16.244 -26.615 9.915 1.00 0.00 ATOM 11 C SER 3 -16.314 -27.309 8.914 1.00 0.00 ATOM 12 N LYS 4 -16.105 -26.823 7.698 1.00 0.00 ATOM 13 CA LYS 4 -15.780 -25.439 7.514 1.00 0.00 ATOM 14 CB LYS 4 -14.336 -25.211 7.932 1.00 0.00 ATOM 15 CG LYS 4 -13.354 -26.106 7.252 1.00 0.00 ATOM 16 CD LYS 4 -11.941 -25.638 7.505 1.00 0.00 ATOM 17 CE LYS 4 -10.937 -26.742 7.148 1.00 0.00 ATOM 18 NZ LYS 4 -9.544 -26.245 6.911 1.00 0.00 ATOM 19 O LYS 4 -16.083 -25.791 5.169 1.00 0.00 ATOM 20 C LYS 4 -15.962 -24.988 6.086 1.00 0.00 ATOM 21 N LYS 5 -15.971 -23.674 5.921 1.00 0.00 ATOM 22 CA LYS 5 -16.078 -23.024 4.624 1.00 0.00 ATOM 23 CB LYS 5 -17.128 -21.911 4.693 1.00 0.00 ATOM 24 CG LYS 5 -17.312 -21.122 3.402 1.00 0.00 ATOM 25 CD LYS 5 -18.051 -19.805 3.628 1.00 0.00 ATOM 26 CE LYS 5 -19.349 -20.009 4.383 1.00 0.00 ATOM 27 NZ LYS 5 -19.854 -18.724 4.981 1.00 0.00 ATOM 28 O LYS 5 -14.169 -21.642 5.124 1.00 0.00 ATOM 29 C LYS 5 -14.688 -22.415 4.347 1.00 0.00 ATOM 30 N VAL 6 -14.067 -22.785 3.250 1.00 0.00 ATOM 31 CA VAL 6 -12.780 -22.221 2.932 1.00 0.00 ATOM 32 CB VAL 6 -11.750 -23.326 2.719 1.00 0.00 ATOM 33 CG1 VAL 6 -12.336 -24.443 1.887 1.00 0.00 ATOM 34 CG2 VAL 6 -10.563 -22.768 2.056 1.00 0.00 ATOM 35 O VAL 6 -13.713 -21.601 0.808 1.00 0.00 ATOM 36 C VAL 6 -12.914 -21.331 1.691 1.00 0.00 ATOM 37 N HIS 7 -12.178 -20.227 1.663 1.00 0.00 ATOM 38 CA HIS 7 -12.185 -19.310 0.528 1.00 0.00 ATOM 39 CB HIS 7 -12.935 -18.031 0.861 1.00 0.00 ATOM 40 CG HIS 7 -12.726 -16.938 -0.142 1.00 0.00 ATOM 41 CD2 HIS 7 -12.389 -15.633 0.013 1.00 0.00 ATOM 42 ND1 HIS 7 -12.855 -17.136 -1.500 1.00 0.00 ATOM 43 CE1 HIS 7 -12.604 -16.005 -2.143 1.00 0.00 ATOM 44 NE2 HIS 7 -12.320 -15.079 -1.246 1.00 0.00 ATOM 45 O HIS 7 -10.057 -18.459 1.159 1.00 0.00 ATOM 46 C HIS 7 -10.718 -19.002 0.297 1.00 0.00 ATOM 47 N GLN 8 -10.204 -19.337 -0.870 1.00 0.00 ATOM 48 CA GLN 8 -8.800 -19.139 -1.115 1.00 0.00 ATOM 49 CB GLN 8 -8.110 -20.484 -0.963 1.00 0.00 ATOM 50 CG GLN 8 -6.679 -20.438 -1.242 1.00 0.00 ATOM 51 CD GLN 8 -6.027 -21.748 -1.071 1.00 0.00 ATOM 52 OE1 GLN 8 -6.409 -22.552 -0.206 1.00 0.00 ATOM 53 NE2 GLN 8 -5.003 -21.989 -1.877 1.00 0.00 ATOM 54 O GLN 8 -9.068 -18.845 -3.457 1.00 0.00 ATOM 55 C GLN 8 -8.438 -18.522 -2.470 1.00 0.00 ATOM 56 N ILE 9 -7.440 -17.627 -2.506 1.00 0.00 ATOM 57 CA ILE 9 -6.972 -17.033 -3.756 1.00 0.00 ATOM 58 CB ILE 9 -7.069 -15.504 -3.725 1.00 0.00 ATOM 59 CG1 ILE 9 -8.510 -15.060 -3.956 1.00 0.00 ATOM 60 CG2 ILE 9 -6.172 -14.896 -4.768 1.00 0.00 ATOM 61 CD1 ILE 9 -9.115 -15.547 -5.229 1.00 0.00 ATOM 62 O ILE 9 -4.663 -17.366 -3.109 1.00 0.00 ATOM 63 C ILE 9 -5.504 -17.432 -4.013 1.00 0.00 ATOM 64 N ASN 10 -5.216 -17.863 -5.240 1.00 0.00 ATOM 65 CA ASN 10 -3.880 -18.276 -5.650 1.00 0.00 ATOM 66 CB ASN 10 -3.867 -19.705 -6.236 1.00 0.00 ATOM 67 CG ASN 10 -4.216 -20.776 -5.205 1.00 0.00 ATOM 68 ND2 ASN 10 -3.374 -21.802 -5.099 1.00 0.00 ATOM 69 OD1 ASN 10 -5.230 -20.689 -4.520 1.00 0.00 ATOM 70 O ASN 10 -4.339 -17.074 -7.598 1.00 0.00 ATOM 71 C ASN 10 -3.527 -17.306 -6.735 1.00 0.00 ATOM 72 N VAL 11 -2.324 -16.749 -6.690 1.00 0.00 ATOM 73 CA VAL 11 -1.873 -15.797 -7.684 1.00 0.00 ATOM 74 CB VAL 11 -2.027 -14.317 -7.176 1.00 0.00 ATOM 75 CG1 VAL 11 -2.180 -13.387 -8.366 1.00 0.00 ATOM 76 CG2 VAL 11 -3.209 -14.196 -6.234 1.00 0.00 ATOM 77 O VAL 11 0.439 -15.976 -7.157 1.00 0.00 ATOM 78 C VAL 11 -0.410 -16.057 -8.004 1.00 0.00 ATOM 79 N LYS 12 -0.117 -16.360 -9.247 1.00 0.00 ATOM 80 CA LYS 12 1.244 -16.650 -9.634 1.00 0.00 ATOM 81 CB LYS 12 1.350 -18.111 -10.096 1.00 0.00 ATOM 82 CG LYS 12 2.738 -18.483 -10.560 1.00 0.00 ATOM 83 CD LYS 12 2.864 -19.973 -10.764 1.00 0.00 ATOM 84 CE LYS 12 4.306 -20.355 -11.028 1.00 0.00 ATOM 85 NZ LYS 12 4.478 -21.830 -11.018 1.00 0.00 ATOM 86 O LYS 12 1.024 -15.673 -11.782 1.00 0.00 ATOM 87 C LYS 12 1.682 -15.734 -10.757 1.00 0.00 ATOM 88 N GLY 13 2.785 -15.023 -10.565 1.00 0.00 ATOM 89 CA GLY 13 3.296 -14.127 -11.590 1.00 0.00 ATOM 90 O GLY 13 4.965 -13.338 -10.061 1.00 0.00 ATOM 91 C GLY 13 4.428 -13.206 -11.143 1.00 0.00 ATOM 92 N PHE 14 4.799 -12.261 -11.989 1.00 0.00 ATOM 93 CA PHE 14 5.856 -11.315 -11.655 1.00 0.00 ATOM 94 CB PHE 14 6.398 -10.701 -12.922 1.00 0.00 ATOM 95 CG PHE 14 7.567 -9.843 -12.699 1.00 0.00 ATOM 96 CD1 PHE 14 8.833 -10.403 -12.565 1.00 0.00 ATOM 97 CD2 PHE 14 7.419 -8.459 -12.590 1.00 0.00 ATOM 98 CE1 PHE 14 9.947 -9.575 -12.321 1.00 0.00 ATOM 99 CE2 PHE 14 8.515 -7.641 -12.350 1.00 0.00 ATOM 100 CZ PHE 14 9.778 -8.197 -12.216 1.00 0.00 ATOM 101 O PHE 14 4.381 -9.485 -11.125 1.00 0.00 ATOM 102 C PHE 14 5.279 -10.226 -10.745 1.00 0.00 ATOM 103 N PHE 15 5.809 -10.140 -9.533 1.00 0.00 ATOM 104 CA PHE 15 5.319 -9.203 -8.531 1.00 0.00 ATOM 105 CB PHE 15 5.429 -9.838 -7.157 1.00 0.00 ATOM 106 CG PHE 15 4.911 -8.979 -6.055 1.00 0.00 ATOM 107 CD1 PHE 15 3.641 -8.433 -6.128 1.00 0.00 ATOM 108 CD2 PHE 15 5.655 -8.778 -4.896 1.00 0.00 ATOM 109 CE1 PHE 15 3.110 -7.702 -5.059 1.00 0.00 ATOM 110 CE2 PHE 15 5.124 -8.050 -3.826 1.00 0.00 ATOM 111 CZ PHE 15 3.844 -7.516 -3.915 1.00 0.00 ATOM 112 O PHE 15 7.161 -7.690 -8.326 1.00 0.00 ATOM 113 C PHE 15 5.957 -7.831 -8.478 1.00 0.00 ATOM 114 N ASP 16 5.112 -6.813 -8.592 1.00 0.00 ATOM 115 CA ASP 16 5.532 -5.421 -8.537 1.00 0.00 ATOM 116 CB ASP 16 5.293 -4.734 -9.874 1.00 0.00 ATOM 117 CG ASP 16 5.963 -3.374 -9.951 1.00 0.00 ATOM 118 OD1 ASP 16 5.512 -2.431 -9.255 1.00 0.00 ATOM 119 OD2 ASP 16 6.953 -3.256 -10.699 1.00 0.00 ATOM 120 O ASP 16 3.520 -4.435 -7.640 1.00 0.00 ATOM 121 C ASP 16 4.699 -4.760 -7.444 1.00 0.00 ATOM 122 N MET 17 5.336 -4.580 -6.290 1.00 0.00 ATOM 123 CA MET 17 4.696 -4.023 -5.118 1.00 0.00 ATOM 124 CB MET 17 5.492 -4.400 -3.880 1.00 0.00 ATOM 125 CG MET 17 4.823 -3.986 -2.590 1.00 0.00 ATOM 126 SD MET 17 5.999 -4.222 -1.109 1.00 0.00 ATOM 127 CE MET 17 7.591 -3.292 -1.817 1.00 0.00 ATOM 128 O MET 17 3.792 -1.970 -4.344 1.00 0.00 ATOM 129 C MET 17 4.522 -2.529 -5.160 1.00 0.00 ATOM 130 N ASP 18 5.193 -1.888 -6.113 1.00 0.00 ATOM 131 CA ASP 18 5.126 -0.429 -6.264 1.00 0.00 ATOM 132 CB ASP 18 6.212 0.041 -7.235 1.00 0.00 ATOM 133 CG ASP 18 7.536 -0.683 -7.017 1.00 0.00 ATOM 134 OD1 ASP 18 8.075 -0.611 -5.891 1.00 0.00 ATOM 135 OD2 ASP 18 8.036 -1.339 -7.967 1.00 0.00 ATOM 136 O ASP 18 3.068 0.813 -6.248 1.00 0.00 ATOM 137 C ASP 18 3.739 -0.070 -6.785 1.00 0.00 ATOM 138 N VAL 19 3.305 -0.788 -7.820 1.00 0.00 ATOM 139 CA VAL 19 1.989 -0.579 -8.408 1.00 0.00 ATOM 140 CB VAL 19 2.020 -0.785 -9.918 1.00 0.00 ATOM 141 CG1 VAL 19 0.819 -0.097 -10.557 1.00 0.00 ATOM 142 CG2 VAL 19 3.319 -0.254 -10.484 1.00 0.00 ATOM 143 O VAL 19 -0.134 -1.651 -8.111 1.00 0.00 ATOM 144 C VAL 19 1.054 -1.616 -7.806 1.00 0.00 ATOM 145 N MET 20 1.614 -2.466 -6.948 1.00 0.00 ATOM 146 CA MET 20 0.870 -3.530 -6.291 1.00 0.00 ATOM 147 CB MET 20 -0.095 -2.939 -5.268 1.00 0.00 ATOM 148 CG MET 20 0.521 -2.747 -3.886 1.00 0.00 ATOM 149 SD MET 20 0.824 -4.409 -2.870 1.00 0.00 ATOM 150 CE MET 20 -0.857 -4.532 -1.934 1.00 0.00 ATOM 151 O MET 20 -1.088 -4.676 -7.114 1.00 0.00 ATOM 152 C MET 20 0.114 -4.444 -7.260 1.00 0.00 ATOM 153 N GLU 21 0.841 -4.977 -8.239 1.00 0.00 ATOM 154 CA GLU 21 0.258 -5.871 -9.232 1.00 0.00 ATOM 155 CB GLU 21 0.051 -5.129 -10.549 1.00 0.00 ATOM 156 CG GLU 21 -0.710 -3.822 -10.413 1.00 0.00 ATOM 157 CD GLU 21 -0.942 -3.139 -11.749 1.00 0.00 ATOM 158 OE1 GLU 21 0.022 -3.032 -12.546 1.00 0.00 ATOM 159 OE2 GLU 21 -2.090 -2.701 -11.995 1.00 0.00 ATOM 160 O GLU 21 2.315 -7.129 -9.486 1.00 0.00 ATOM 161 C GLU 21 1.092 -7.133 -9.514 1.00 0.00 ATOM 162 N VAL 22 0.406 -8.229 -9.774 1.00 0.00 ATOM 163 CA VAL 22 1.072 -9.475 -10.113 1.00 0.00 ATOM 164 CB VAL 22 0.626 -10.663 -9.207 1.00 0.00 ATOM 165 CG1 VAL 22 1.412 -11.910 -9.573 1.00 0.00 ATOM 166 CG2 VAL 22 0.807 -10.301 -7.738 1.00 0.00 ATOM 167 O VAL 22 -0.527 -9.734 -11.906 1.00 0.00 ATOM 168 C VAL 22 0.661 -9.786 -11.549 1.00 0.00 ATOM 169 N THR 23 1.648 -10.121 -12.366 1.00 0.00 ATOM 170 CA THR 23 1.377 -10.426 -13.747 1.00 0.00 ATOM 171 CB THR 23 1.723 -9.191 -14.623 1.00 0.00 ATOM 172 CG2 THR 23 3.071 -8.635 -14.258 1.00 0.00 ATOM 173 OG1 THR 23 1.698 -9.547 -16.010 1.00 0.00 ATOM 174 O THR 23 3.309 -11.763 -14.258 1.00 0.00 ATOM 175 C THR 23 2.083 -11.691 -14.261 1.00 0.00 ATOM 176 N GLU 24 1.299 -12.689 -14.690 1.00 0.00 ATOM 177 CA GLU 24 1.867 -13.926 -15.218 1.00 0.00 ATOM 178 CB GLU 24 1.172 -15.184 -14.643 1.00 0.00 ATOM 179 CG GLU 24 -0.316 -15.333 -14.942 1.00 0.00 ATOM 180 CD GLU 24 -0.916 -16.647 -14.424 1.00 0.00 ATOM 181 OE1 GLU 24 -2.141 -16.730 -14.221 1.00 0.00 ATOM 182 OE2 GLU 24 -0.178 -17.614 -14.226 1.00 0.00 ATOM 183 O GLU 24 0.892 -13.565 -17.372 1.00 0.00 ATOM 184 C GLU 24 1.834 -13.998 -16.734 1.00 0.00 ATOM 185 N GLN 25 2.890 -14.579 -17.285 1.00 0.00 ATOM 186 CA GLN 25 3.061 -14.758 -18.716 1.00 0.00 ATOM 187 CB GLN 25 4.539 -14.525 -19.054 1.00 0.00 ATOM 188 CG GLN 25 4.939 -14.708 -20.507 1.00 0.00 ATOM 189 CD GLN 25 4.362 -13.636 -21.427 1.00 0.00 ATOM 190 OE1 GLN 25 4.401 -12.449 -21.110 1.00 0.00 ATOM 191 NE2 GLN 25 3.834 -14.054 -22.578 1.00 0.00 ATOM 192 O GLN 25 3.429 -17.094 -19.059 1.00 0.00 ATOM 193 C GLN 25 2.633 -16.173 -19.143 1.00 0.00 ATOM 194 N THR 26 1.381 -16.349 -19.580 1.00 0.00 ATOM 195 CA THR 26 0.892 -17.663 -20.034 1.00 0.00 ATOM 196 CB THR 26 -0.660 -17.743 -20.165 1.00 0.00 ATOM 197 CG2 THR 26 -1.083 -19.118 -20.659 1.00 0.00 ATOM 198 OG1 THR 26 -1.286 -17.537 -18.898 1.00 0.00 ATOM 199 O THR 26 2.101 -17.082 -22.023 1.00 0.00 ATOM 200 C THR 26 1.435 -17.933 -21.426 1.00 0.00 ATOM 201 N LYS 27 1.129 -19.122 -21.935 1.00 0.00 ATOM 202 CA LYS 27 1.543 -19.566 -23.267 1.00 0.00 ATOM 203 CB LYS 27 1.375 -21.090 -23.372 1.00 0.00 ATOM 204 CG LYS 27 1.990 -21.752 -24.621 1.00 0.00 ATOM 205 CD LYS 27 1.948 -23.293 -24.514 1.00 0.00 ATOM 206 CE LYS 27 2.488 -23.771 -23.155 1.00 0.00 ATOM 207 NZ LYS 27 3.840 -23.219 -22.839 1.00 0.00 ATOM 208 O LYS 27 0.867 -19.169 -25.557 1.00 0.00 ATOM 209 C LYS 27 0.710 -18.880 -24.364 1.00 0.00 ATOM 210 N GLU 28 -0.171 -17.972 -23.946 1.00 0.00 ATOM 211 CA GLU 28 -1.041 -17.245 -24.862 1.00 0.00 ATOM 212 CB GLU 28 -2.500 -17.663 -24.640 1.00 0.00 ATOM 213 CG GLU 28 -2.688 -18.747 -23.558 1.00 0.00 ATOM 214 CD GLU 28 -4.145 -19.191 -23.403 1.00 0.00 ATOM 215 OE1 GLU 28 -4.782 -19.487 -24.445 1.00 0.00 ATOM 216 OE2 GLU 28 -4.648 -19.253 -22.247 1.00 0.00 ATOM 217 O GLU 28 -0.294 -15.023 -25.445 1.00 0.00 ATOM 218 C GLU 28 -0.901 -15.747 -24.634 1.00 0.00 ATOM 219 N ALA 29 -1.447 -15.290 -23.512 1.00 0.00 ATOM 220 CA ALA 29 -1.410 -13.875 -23.179 1.00 0.00 ATOM 221 CB ALA 29 -2.831 -13.388 -22.925 1.00 0.00 ATOM 222 O ALA 29 0.229 -14.358 -21.472 1.00 0.00 ATOM 223 C ALA 29 -0.527 -13.530 -21.980 1.00 0.00 ATOM 224 N GLU 30 -0.641 -12.274 -21.561 1.00 0.00 ATOM 225 CA GLU 30 0.064 -11.729 -20.412 1.00 0.00 ATOM 226 CB GLU 30 1.114 -10.712 -20.845 1.00 0.00 ATOM 227 CG GLU 30 2.068 -10.315 -19.739 1.00 0.00 ATOM 228 CD GLU 30 2.705 -8.948 -19.943 1.00 0.00 ATOM 229 OE1 GLU 30 1.995 -7.921 -19.775 1.00 0.00 ATOM 230 OE2 GLU 30 3.907 -8.900 -20.271 1.00 0.00 ATOM 231 O GLU 30 -1.301 -9.874 -19.724 1.00 0.00 ATOM 232 C GLU 30 -0.984 -11.046 -19.532 1.00 0.00 ATOM 233 N TYR 31 -1.516 -11.806 -18.575 1.00 0.00 ATOM 234 CA TYR 31 -2.536 -11.348 -17.634 1.00 0.00 ATOM 235 CB TYR 31 -3.289 -12.552 -17.077 1.00 0.00 ATOM 236 CG TYR 31 -3.901 -13.413 -18.154 1.00 0.00 ATOM 237 CD1 TYR 31 -5.137 -13.101 -18.730 1.00 0.00 ATOM 238 CD2 TYR 31 -3.209 -14.507 -18.653 1.00 0.00 ATOM 239 CE1 TYR 31 -5.661 -13.857 -19.787 1.00 0.00 ATOM 240 CE2 TYR 31 -3.724 -15.273 -19.705 1.00 0.00 ATOM 241 CZ TYR 31 -4.947 -14.942 -20.267 1.00 0.00 ATOM 242 OH TYR 31 -5.424 -15.713 -21.300 1.00 0.00 ATOM 243 O TYR 31 -0.880 -10.782 -16.004 1.00 0.00 ATOM 244 C TYR 31 -1.971 -10.528 -16.475 1.00 0.00 ATOM 245 N THR 32 -2.725 -9.534 -16.026 1.00 0.00 ATOM 246 CA THR 32 -2.291 -8.682 -14.937 1.00 0.00 ATOM 247 CB THR 32 -1.977 -7.284 -15.419 1.00 0.00 ATOM 248 CG2 THR 32 -1.747 -6.354 -14.250 1.00 0.00 ATOM 249 OG1 THR 32 -0.819 -7.326 -16.252 1.00 0.00 ATOM 250 O THR 32 -4.512 -8.225 -14.231 1.00 0.00 ATOM 251 C THR 32 -3.392 -8.594 -13.916 1.00 0.00 ATOM 252 N TYR 33 -3.067 -8.955 -12.686 1.00 0.00 ATOM 253 CA TYR 33 -4.038 -8.941 -11.609 1.00 0.00 ATOM 254 CB TYR 33 -4.062 -10.319 -10.909 1.00 0.00 ATOM 255 CG TYR 33 -4.207 -11.514 -11.836 1.00 0.00 ATOM 256 CD1 TYR 33 -5.453 -11.905 -12.325 1.00 0.00 ATOM 257 CD2 TYR 33 -3.093 -12.228 -12.249 1.00 0.00 ATOM 258 CE1 TYR 33 -5.578 -12.975 -13.201 1.00 0.00 ATOM 259 CE2 TYR 33 -3.207 -13.292 -13.117 1.00 0.00 ATOM 260 CZ TYR 33 -4.449 -13.668 -13.585 1.00 0.00 ATOM 261 OH TYR 33 -4.556 -14.788 -14.389 1.00 0.00 ATOM 262 O TYR 33 -2.369 -7.671 -10.465 1.00 0.00 ATOM 263 C TYR 33 -3.567 -7.875 -10.631 1.00 0.00 ATOM 264 N ASP 34 -4.489 -7.171 -9.994 1.00 0.00 ATOM 265 CA ASP 34 -4.036 -6.181 -9.043 1.00 0.00 ATOM 266 CB ASP 34 -4.791 -4.855 -9.165 1.00 0.00 ATOM 267 CG ASP 34 -6.226 -4.971 -8.779 1.00 0.00 ATOM 268 OD1 ASP 34 -6.604 -4.285 -7.807 1.00 0.00 ATOM 269 OD2 ASP 34 -6.967 -5.740 -9.449 1.00 0.00 ATOM 270 O ASP 34 -5.318 -7.002 -7.176 1.00 0.00 ATOM 271 C ASP 34 -4.204 -6.773 -7.666 1.00 0.00 ATOM 272 N PHE 35 -3.047 -7.031 -7.070 1.00 0.00 ATOM 273 CA PHE 35 -2.935 -7.627 -5.761 1.00 0.00 ATOM 274 CB PHE 35 -1.460 -7.755 -5.425 1.00 0.00 ATOM 275 CG PHE 35 -1.181 -8.745 -4.377 1.00 0.00 ATOM 276 CD1 PHE 35 -1.810 -9.978 -4.401 1.00 0.00 ATOM 277 CD2 PHE 35 -0.278 -8.462 -3.361 1.00 0.00 ATOM 278 CE1 PHE 35 -1.552 -10.911 -3.432 1.00 0.00 ATOM 279 CE2 PHE 35 -0.010 -9.397 -2.380 1.00 0.00 ATOM 280 CZ PHE 35 -0.649 -10.629 -2.417 1.00 0.00 ATOM 281 O PHE 35 -4.158 -7.392 -3.718 1.00 0.00 ATOM 282 C PHE 35 -3.676 -6.823 -4.707 1.00 0.00 ATOM 283 N LYS 36 -3.779 -5.511 -4.936 1.00 0.00 ATOM 284 CA LYS 36 -4.475 -4.610 -4.020 1.00 0.00 ATOM 285 CB LYS 36 -4.354 -3.162 -4.536 1.00 0.00 ATOM 286 CG LYS 36 -4.662 -2.063 -3.498 1.00 0.00 ATOM 287 CD LYS 36 -4.556 -0.638 -4.120 1.00 0.00 ATOM 288 CE LYS 36 -4.291 0.507 -3.067 1.00 0.00 ATOM 289 NZ LYS 36 -5.289 0.608 -1.945 1.00 0.00 ATOM 290 O LYS 36 -6.449 -5.277 -2.784 1.00 0.00 ATOM 291 C LYS 36 -5.955 -5.017 -3.881 1.00 0.00 ATOM 292 N GLU 37 -6.653 -5.084 -5.003 1.00 0.00 ATOM 293 CA GLU 37 -8.058 -5.465 -4.987 1.00 0.00 ATOM 294 CB GLU 37 -8.633 -5.472 -6.401 1.00 0.00 ATOM 295 CG GLU 37 -10.013 -4.890 -6.475 1.00 0.00 ATOM 296 CD GLU 37 -10.101 -3.536 -5.779 1.00 0.00 ATOM 297 OE1 GLU 37 -10.665 -3.482 -4.657 1.00 0.00 ATOM 298 OE2 GLU 37 -9.589 -2.533 -6.347 1.00 0.00 ATOM 299 O GLU 37 -9.085 -7.055 -3.529 1.00 0.00 ATOM 300 C GLU 37 -8.224 -6.845 -4.381 1.00 0.00 ATOM 301 N ILE 38 -7.412 -7.792 -4.843 1.00 0.00 ATOM 302 CA ILE 38 -7.450 -9.156 -4.319 1.00 0.00 ATOM 303 CB ILE 38 -6.332 -10.018 -4.964 1.00 0.00 ATOM 304 CG1 ILE 38 -6.608 -10.210 -6.464 1.00 0.00 ATOM 305 CG2 ILE 38 -6.235 -11.356 -4.246 1.00 0.00 ATOM 306 CD1 ILE 38 -5.480 -10.825 -7.207 1.00 0.00 ATOM 307 O ILE 38 -8.086 -9.716 -2.031 1.00 0.00 ATOM 308 C ILE 38 -7.262 -9.165 -2.787 1.00 0.00 ATOM 309 N LEU 39 -6.176 -8.532 -2.342 1.00 0.00 ATOM 310 CA LEU 39 -5.857 -8.453 -0.930 1.00 0.00 ATOM 311 CB LEU 39 -4.581 -7.651 -0.744 1.00 0.00 ATOM 312 CG LEU 39 -3.438 -8.274 0.046 1.00 0.00 ATOM 313 CD1 LEU 39 -3.182 -9.689 -0.445 1.00 0.00 ATOM 314 CD2 LEU 39 -2.211 -7.407 -0.120 1.00 0.00 ATOM 315 O LEU 39 -7.193 -8.277 0.991 1.00 0.00 ATOM 316 C LEU 39 -6.960 -7.853 -0.111 1.00 0.00 ATOM 317 N SER 40 -7.647 -6.859 -0.649 1.00 0.00 ATOM 318 CA SER 40 -8.716 -6.204 0.094 1.00 0.00 ATOM 319 CB SER 40 -9.201 -4.979 -0.653 1.00 0.00 ATOM 320 OG SER 40 -9.866 -5.362 -1.823 1.00 0.00 ATOM 321 O SER 40 -10.613 -6.854 1.358 1.00 0.00 ATOM 322 C SER 40 -9.904 -7.086 0.396 1.00 0.00 ATOM 323 N GLU 41 -10.128 -8.093 -0.432 1.00 0.00 ATOM 324 CA GLU 41 -11.249 -8.989 -0.244 1.00 0.00 ATOM 325 CB GLU 41 -11.268 -9.976 -1.411 1.00 0.00 ATOM 326 CG GLU 41 -12.513 -10.858 -1.571 1.00 0.00 ATOM 327 CD GLU 41 -12.474 -11.688 -2.862 1.00 0.00 ATOM 328 OE1 GLU 41 -13.275 -12.647 -2.990 1.00 0.00 ATOM 329 OE2 GLU 41 -11.642 -11.381 -3.753 1.00 0.00 ATOM 330 O GLU 41 -12.007 -10.299 1.643 1.00 0.00 ATOM 331 C GLU 41 -11.076 -9.712 1.089 1.00 0.00 ATOM 332 N PHE 42 -9.867 -9.651 1.622 1.00 0.00 ATOM 333 CA PHE 42 -9.567 -10.337 2.875 1.00 0.00 ATOM 334 CB PHE 42 -8.367 -11.281 2.688 1.00 0.00 ATOM 335 CG PHE 42 -8.610 -12.402 1.708 1.00 0.00 ATOM 336 CD1 PHE 42 -8.105 -12.340 0.412 1.00 0.00 ATOM 337 CD2 PHE 42 -9.317 -13.535 2.095 1.00 0.00 ATOM 338 CE1 PHE 42 -8.291 -13.384 -0.474 1.00 0.00 ATOM 339 CE2 PHE 42 -9.512 -14.591 1.210 1.00 0.00 ATOM 340 CZ PHE 42 -8.995 -14.514 -0.077 1.00 0.00 ATOM 341 O PHE 42 -9.173 -9.877 5.206 1.00 0.00 ATOM 342 C PHE 42 -9.307 -9.413 4.070 1.00 0.00 ATOM 343 N ASN 43 -9.250 -8.112 3.826 1.00 0.00 ATOM 344 CA ASN 43 -9.016 -7.174 4.909 1.00 0.00 ATOM 345 CB ASN 43 -8.992 -5.747 4.382 1.00 0.00 ATOM 346 CG ASN 43 -8.623 -4.742 5.455 1.00 0.00 ATOM 347 ND2 ASN 43 -9.496 -3.770 5.687 1.00 0.00 ATOM 348 OD1 ASN 43 -7.560 -4.839 6.065 1.00 0.00 ATOM 349 O ASN 43 -11.230 -7.079 5.788 1.00 0.00 ATOM 350 C ASN 43 -10.050 -7.272 6.018 1.00 0.00 ATOM 351 N GLY 44 -9.591 -7.572 7.225 1.00 0.00 ATOM 352 CA GLY 44 -10.490 -7.679 8.353 1.00 0.00 ATOM 353 O GLY 44 -11.724 -9.289 9.595 1.00 0.00 ATOM 354 C GLY 44 -10.786 -9.083 8.831 1.00 0.00 ATOM 355 N LYS 45 -9.987 -10.045 8.382 1.00 0.00 ATOM 356 CA LYS 45 -10.247 -11.452 8.665 1.00 0.00 ATOM 357 CB LYS 45 -10.896 -12.131 7.457 1.00 0.00 ATOM 358 CG LYS 45 -11.099 -11.212 6.264 1.00 0.00 ATOM 359 CD LYS 45 -12.325 -11.613 5.460 1.00 0.00 ATOM 360 CE LYS 45 -13.608 -11.246 6.190 1.00 0.00 ATOM 361 NZ LYS 45 -14.818 -11.603 5.399 1.00 0.00 ATOM 362 O LYS 45 -7.888 -11.880 8.538 1.00 0.00 ATOM 363 C LYS 45 -8.965 -12.182 9.051 1.00 0.00 ATOM 364 N ASN 46 -9.090 -13.145 9.960 1.00 0.00 ATOM 365 CA ASN 46 -8.143 -14.251 10.038 1.00 0.00 ATOM 366 CB ASN 46 -8.657 -15.329 10.995 1.00 0.00 ATOM 367 CG ASN 46 -8.919 -14.793 12.388 1.00 0.00 ATOM 368 ND2 ASN 46 -10.056 -15.170 12.963 1.00 0.00 ATOM 369 OD1 ASN 46 -8.110 -14.049 12.943 1.00 0.00 ATOM 370 O ASN 46 -8.764 -15.319 7.979 1.00 0.00 ATOM 371 C ASN 46 -7.854 -14.860 8.669 1.00 0.00 ATOM 372 N VAL 47 -6.582 -14.859 8.284 1.00 0.00 ATOM 373 CA VAL 47 -6.166 -15.444 7.015 1.00 0.00 ATOM 374 CB VAL 47 -5.871 -14.359 5.963 1.00 0.00 ATOM 375 CG1 VAL 47 -7.059 -13.420 5.819 1.00 0.00 ATOM 376 CG2 VAL 47 -4.614 -13.586 6.333 1.00 0.00 ATOM 377 O VAL 47 -4.290 -16.303 8.243 1.00 0.00 ATOM 378 C VAL 47 -4.928 -16.318 7.191 1.00 0.00 ATOM 379 N SER 48 -4.596 -17.079 6.153 1.00 0.00 ATOM 380 CA SER 48 -3.242 -17.594 5.984 1.00 0.00 ATOM 381 CB SER 48 -3.233 -19.121 6.085 1.00 0.00 ATOM 382 OG SER 48 -4.153 -19.572 7.064 1.00 0.00 ATOM 383 O SER 48 -3.231 -17.391 3.591 1.00 0.00 ATOM 384 C SER 48 -2.648 -17.154 4.650 1.00 0.00 ATOM 385 N ILE 49 -1.486 -16.512 4.708 1.00 0.00 ATOM 386 CA ILE 49 -0.843 -15.980 3.512 1.00 0.00 ATOM 387 CB ILE 49 -0.591 -14.468 3.663 1.00 0.00 ATOM 388 CG1 ILE 49 -1.872 -13.754 4.096 1.00 0.00 ATOM 389 CG2 ILE 49 -0.063 -13.885 2.361 1.00 0.00 ATOM 390 CD1 ILE 49 -1.814 -12.250 3.943 1.00 0.00 ATOM 391 O ILE 49 1.321 -16.837 4.099 1.00 0.00 ATOM 392 C ILE 49 0.467 -16.704 3.222 1.00 0.00 ATOM 393 N THR 50 0.619 -17.171 1.987 1.00 0.00 ATOM 394 CA THR 50 1.848 -17.830 1.563 1.00 0.00 ATOM 395 CB THR 50 1.587 -19.320 1.270 1.00 0.00 ATOM 396 CG2 THR 50 2.553 -19.831 0.212 1.00 0.00 ATOM 397 OG1 THR 50 1.919 -20.102 2.425 1.00 0.00 ATOM 398 O THR 50 1.764 -16.969 -0.676 1.00 0.00 ATOM 399 C THR 50 2.443 -17.151 0.334 1.00 0.00 ATOM 400 N VAL 51 3.715 -16.777 0.429 1.00 0.00 ATOM 401 CA VAL 51 4.404 -16.121 -0.674 1.00 0.00 ATOM 402 CB VAL 51 4.746 -14.667 -0.313 1.00 0.00 ATOM 403 CG1 VAL 51 5.421 -14.011 -1.462 1.00 0.00 ATOM 404 CG2 VAL 51 3.463 -13.913 0.055 1.00 0.00 ATOM 405 O VAL 51 6.532 -17.114 -0.068 1.00 0.00 ATOM 406 C VAL 51 5.656 -16.954 -0.927 1.00 0.00 ATOM 407 N LYS 52 5.725 -17.508 -2.116 1.00 0.00 ATOM 408 CA LYS 52 6.812 -18.405 -2.467 1.00 0.00 ATOM 409 CB LYS 52 6.230 -19.818 -2.801 1.00 0.00 ATOM 410 CG LYS 52 7.230 -20.930 -3.054 1.00 0.00 ATOM 411 CD LYS 52 6.831 -21.816 -4.202 1.00 0.00 ATOM 412 CE LYS 52 5.653 -22.699 -3.884 1.00 0.00 ATOM 413 NZ LYS 52 5.126 -23.421 -5.098 1.00 0.00 ATOM 414 O LYS 52 6.829 -17.173 -4.489 1.00 0.00 ATOM 415 C LYS 52 7.483 -17.808 -3.670 1.00 0.00 ATOM 416 N GLU 53 8.790 -18.001 -3.744 1.00 0.00 ATOM 417 CA GLU 53 9.601 -17.526 -4.836 1.00 0.00 ATOM 418 CB GLU 53 10.340 -16.269 -4.449 1.00 0.00 ATOM 419 CG GLU 53 11.361 -15.877 -5.509 1.00 0.00 ATOM 420 CD GLU 53 12.469 -14.966 -4.989 1.00 0.00 ATOM 421 OE1 GLU 53 13.327 -14.559 -5.807 1.00 0.00 ATOM 422 OE2 GLU 53 12.493 -14.664 -3.766 1.00 0.00 ATOM 423 O GLU 53 11.420 -18.882 -4.218 1.00 0.00 ATOM 424 C GLU 53 10.616 -18.612 -5.083 1.00 0.00 ATOM 425 N GLU 54 10.593 -19.255 -6.241 1.00 0.00 ATOM 426 CA GLU 54 11.571 -20.293 -6.504 1.00 0.00 ATOM 427 CB GLU 54 10.853 -21.636 -6.665 1.00 0.00 ATOM 428 CG GLU 54 9.638 -21.634 -7.558 1.00 0.00 ATOM 429 CD GLU 54 9.107 -23.036 -7.841 1.00 0.00 ATOM 430 OE1 GLU 54 8.483 -23.626 -6.927 1.00 0.00 ATOM 431 OE2 GLU 54 9.337 -23.538 -8.980 1.00 0.00 ATOM 432 O GLU 54 12.022 -19.563 -8.737 1.00 0.00 ATOM 433 C GLU 54 12.483 -19.973 -7.701 1.00 0.00 ATOM 434 N ASN 55 13.785 -20.141 -7.548 1.00 0.00 ATOM 435 CA ASN 55 14.715 -19.845 -8.622 1.00 0.00 ATOM 436 CB ASN 55 15.683 -18.782 -8.168 1.00 0.00 ATOM 437 CG ASN 55 14.992 -17.667 -7.412 1.00 0.00 ATOM 438 ND2 ASN 55 15.266 -17.562 -6.107 1.00 0.00 ATOM 439 OD1 ASN 55 14.205 -16.915 -7.990 1.00 0.00 ATOM 440 O ASN 55 15.216 -22.163 -8.495 1.00 0.00 ATOM 441 C ASN 55 15.488 -21.082 -8.999 1.00 0.00 ATOM 442 N GLU 56 16.471 -20.918 -9.878 1.00 0.00 ATOM 443 CA GLU 56 17.293 -22.034 -10.354 1.00 0.00 ATOM 444 CB GLU 56 17.721 -21.785 -11.782 1.00 0.00 ATOM 445 CG GLU 56 16.609 -21.774 -12.778 1.00 0.00 ATOM 446 CD GLU 56 16.179 -23.172 -13.126 1.00 0.00 ATOM 447 OE1 GLU 56 15.420 -23.354 -14.120 1.00 0.00 ATOM 448 OE2 GLU 56 16.621 -24.096 -12.393 1.00 0.00 ATOM 449 O GLU 56 18.959 -21.244 -8.821 1.00 0.00 ATOM 450 C GLU 56 18.540 -22.182 -9.505 1.00 0.00 ATOM 451 N LEU 57 19.146 -23.357 -9.553 1.00 0.00 ATOM 452 CA LEU 57 20.340 -23.588 -8.765 1.00 0.00 ATOM 453 CB LEU 57 20.480 -25.067 -8.388 1.00 0.00 ATOM 454 CG LEU 57 19.690 -25.634 -7.227 1.00 0.00 ATOM 455 CD1 LEU 57 20.178 -27.046 -6.932 1.00 0.00 ATOM 456 CD2 LEU 57 19.873 -24.740 -6.029 1.00 0.00 ATOM 457 O LEU 57 21.756 -23.585 -10.686 1.00 0.00 ATOM 458 C LEU 57 21.584 -23.191 -9.528 1.00 0.00 ATOM 459 N PRO 58 22.483 -22.415 -8.884 1.00 0.00 ATOM 460 CA PRO 58 23.725 -21.997 -9.535 1.00 0.00 ATOM 461 CB PRO 58 24.407 -21.166 -8.447 1.00 0.00 ATOM 462 CG PRO 58 23.941 -21.802 -7.193 1.00 0.00 ATOM 463 CD PRO 58 22.469 -21.974 -7.476 1.00 0.00 ATOM 464 O PRO 58 24.862 -24.092 -9.079 1.00 0.00 ATOM 465 C PRO 58 24.521 -23.263 -9.930 1.00 0.00 ATOM 466 N VAL 59 24.776 -23.419 -11.225 1.00 0.00 ATOM 467 CA VAL 59 25.515 -24.567 -11.737 1.00 0.00 ATOM 468 CB VAL 59 25.219 -24.790 -13.216 1.00 0.00 ATOM 469 CG1 VAL 59 23.882 -25.465 -13.386 1.00 0.00 ATOM 470 CG2 VAL 59 25.217 -23.444 -13.935 1.00 0.00 ATOM 471 O VAL 59 27.495 -23.336 -11.109 1.00 0.00 ATOM 472 C VAL 59 27.020 -24.354 -11.621 1.00 0.00 ATOM 473 N LYS 60 27.775 -25.333 -12.085 1.00 0.00 ATOM 474 CA LYS 60 29.209 -25.201 -12.070 1.00 0.00 ATOM 475 CB LYS 60 29.807 -25.855 -10.821 1.00 0.00 ATOM 476 CG LYS 60 29.847 -27.370 -10.861 1.00 0.00 ATOM 477 CD LYS 60 30.637 -27.931 -9.685 1.00 0.00 ATOM 478 CE LYS 60 32.102 -27.510 -9.728 1.00 0.00 ATOM 479 NZ LYS 60 32.877 -28.133 -8.630 1.00 0.00 ATOM 480 O LYS 60 30.899 -25.862 -13.640 1.00 0.00 ATOM 481 C LYS 60 29.703 -25.879 -13.344 1.00 0.00 ATOM 482 N GLY 61 28.766 -26.458 -14.100 1.00 0.00 ATOM 483 CA GLY 61 29.118 -27.138 -15.335 1.00 0.00 ATOM 484 O GLY 61 27.366 -28.545 -16.243 1.00 0.00 ATOM 485 C GLY 61 27.969 -27.459 -16.287 1.00 0.00 ATOM 486 N VAL 62 27.654 -26.510 -17.162 1.00 0.00 ATOM 487 CA VAL 62 26.587 -26.717 -18.135 1.00 0.00 ATOM 488 CB VAL 62 26.017 -25.372 -18.691 1.00 0.00 ATOM 489 CG1 VAL 62 24.811 -25.658 -19.574 1.00 0.00 ATOM 490 CG2 VAL 62 25.629 -24.427 -17.556 1.00 0.00 ATOM 491 O VAL 62 28.436 -27.286 -19.551 1.00 0.00 ATOM 492 C VAL 62 27.243 -27.481 -19.283 1.00 0.00 ATOM 493 N GLU 63 26.474 -28.346 -19.948 1.00 0.00 ATOM 494 CA GLU 63 26.980 -29.152 -21.070 1.00 0.00 ATOM 495 CB GLU 63 27.887 -30.283 -20.588 1.00 0.00 ATOM 496 CG GLU 63 29.274 -29.902 -20.139 1.00 0.00 ATOM 497 CD GLU 63 30.087 -31.135 -19.886 1.00 0.00 ATOM 498 OE1 GLU 63 31.250 -31.001 -19.446 1.00 0.00 ATOM 499 OE2 GLU 63 29.542 -32.240 -20.139 1.00 0.00 ATOM 500 O GLU 63 24.691 -29.772 -21.474 1.00 0.00 ATOM 501 C GLU 63 25.864 -29.810 -21.863 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_695555027.pdb -s /var/tmp/to_scwrl_695555027.seq -o /var/tmp/from_scwrl_695555027.pdb > /var/tmp/scwrl_695555027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695555027.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 55 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -31.855 # GDT_score(maxd=8.000,maxw=2.900)= -30.006 # GDT_score(maxd=8.000,maxw=3.200)= -28.574 # GDT_score(maxd=8.000,maxw=3.500)= -27.333 # GDT_score(maxd=10.000,maxw=3.800)= -29.871 # GDT_score(maxd=10.000,maxw=4.000)= -28.975 # GDT_score(maxd=10.000,maxw=4.200)= -28.133 # GDT_score(maxd=12.000,maxw=4.300)= -30.764 # GDT_score(maxd=12.000,maxw=4.500)= -29.898 # GDT_score(maxd=12.000,maxw=4.700)= -29.106 # GDT_score(maxd=14.000,maxw=5.200)= -29.759 # GDT_score(maxd=14.000,maxw=5.500)= -28.664 # command:# request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1343093278.pdb -s /var/tmp/to_scwrl_1343093278.seq -o /var/tmp/from_scwrl_1343093278.pdb > /var/tmp/scwrl_1343093278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1343093278.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 73 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -29.032 # GDT_score(maxd=8.000,maxw=2.900)= -27.151 # GDT_score(maxd=8.000,maxw=3.200)= -25.815 # GDT_score(maxd=8.000,maxw=3.500)= -24.708 # GDT_score(maxd=10.000,maxw=3.800)= -27.401 # GDT_score(maxd=10.000,maxw=4.000)= -26.651 # GDT_score(maxd=10.000,maxw=4.200)= -25.920 # GDT_score(maxd=12.000,maxw=4.300)= -28.700 # GDT_score(maxd=12.000,maxw=4.500)= -27.926 # GDT_score(maxd=12.000,maxw=4.700)= -27.218 # GDT_score(maxd=14.000,maxw=5.200)= -28.100 # GDT_score(maxd=14.000,maxw=5.500)= -27.033 # command:# request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_839679717.pdb -s /var/tmp/to_scwrl_839679717.seq -o /var/tmp/from_scwrl_839679717.pdb > /var/tmp/scwrl_839679717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_839679717.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 65 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -31.855 # GDT_score(maxd=8.000,maxw=2.900)= -29.810 # GDT_score(maxd=8.000,maxw=3.200)= -28.379 # GDT_score(maxd=8.000,maxw=3.500)= -27.077 # GDT_score(maxd=10.000,maxw=3.800)= -29.643 # GDT_score(maxd=10.000,maxw=4.000)= -28.730 # GDT_score(maxd=10.000,maxw=4.200)= -27.900 # GDT_score(maxd=12.000,maxw=4.300)= -30.544 # GDT_score(maxd=12.000,maxw=4.500)= -29.688 # GDT_score(maxd=12.000,maxw=4.700)= -28.894 # GDT_score(maxd=14.000,maxw=5.200)= -29.525 # GDT_score(maxd=14.000,maxw=5.500)= -28.442 # command:# request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_705159785.pdb -s /var/tmp/to_scwrl_705159785.seq -o /var/tmp/from_scwrl_705159785.pdb > /var/tmp/scwrl_705159785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_705159785.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 73 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -29.032 # GDT_score(maxd=8.000,maxw=2.900)= -27.637 # GDT_score(maxd=8.000,maxw=3.200)= -26.268 # GDT_score(maxd=8.000,maxw=3.500)= -25.122 # GDT_score(maxd=10.000,maxw=3.800)= -27.785 # GDT_score(maxd=10.000,maxw=4.000)= -27.041 # GDT_score(maxd=10.000,maxw=4.200)= -26.357 # GDT_score(maxd=12.000,maxw=4.300)= -29.038 # GDT_score(maxd=12.000,maxw=4.500)= -28.298 # GDT_score(maxd=12.000,maxw=4.700)= -27.574 # GDT_score(maxd=14.000,maxw=5.200)= -28.344 # GDT_score(maxd=14.000,maxw=5.500)= -27.325 # command:# request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1134460978.pdb -s /var/tmp/to_scwrl_1134460978.seq -o /var/tmp/from_scwrl_1134460978.pdb > /var/tmp/scwrl_1134460978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134460978.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 T0309.try1-opt2.pdb looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -26.210 # GDT_score(maxd=8.000,maxw=2.900)= -24.813 # GDT_score(maxd=8.000,maxw=3.200)= -23.878 # GDT_score(maxd=8.000,maxw=3.500)= -23.076 # GDT_score(maxd=10.000,maxw=3.800)= -25.290 # GDT_score(maxd=10.000,maxw=4.000)= -24.706 # GDT_score(maxd=10.000,maxw=4.200)= -24.067 # GDT_score(maxd=12.000,maxw=4.300)= -26.582 # GDT_score(maxd=12.000,maxw=4.500)= -25.903 # GDT_score(maxd=12.000,maxw=4.700)= -25.219 # GDT_score(maxd=14.000,maxw=5.200)= -26.148 # GDT_score(maxd=14.000,maxw=5.500)= -25.162 # command:# Prefix for output files set to # command:EXPDTA T0309.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0309.try1-opt2.pdb ATOM 1 N MET A 1 -2.087 -20.526 -13.804 1.00 0.00 ATOM 2 CA MET A 1 -0.669 -20.064 -13.843 1.00 0.00 ATOM 3 CB MET A 1 -0.171 -20.053 -12.378 1.00 0.00 ATOM 4 CG MET A 1 1.201 -19.540 -12.142 1.00 0.00 ATOM 5 SD MET A 1 1.293 -19.071 -10.361 1.00 0.00 ATOM 6 CE MET A 1 0.191 -17.593 -10.496 1.00 0.00 ATOM 7 O MET A 1 0.500 -22.022 -14.601 1.00 0.00 ATOM 8 C MET A 1 0.097 -20.891 -14.873 1.00 0.00 ATOM 9 N ALA A 2 0.287 -20.318 -16.056 1.00 0.00 ATOM 10 CA ALA A 2 1.003 -21.000 -17.130 1.00 0.00 ATOM 11 CB ALA A 2 0.983 -20.160 -18.398 1.00 0.00 ATOM 12 O ALA A 2 3.013 -22.305 -17.095 1.00 0.00 ATOM 13 C ALA A 2 2.466 -21.260 -16.746 1.00 0.00 ATOM 14 N SER A 3 3.081 -20.348 -15.996 1.00 0.00 ATOM 15 CA SER A 3 4.460 -20.570 -15.521 1.00 0.00 ATOM 16 CB SER A 3 4.978 -19.334 -14.784 1.00 0.00 ATOM 17 OG SER A 3 5.057 -18.218 -15.652 1.00 0.00 ATOM 18 O SER A 3 5.646 -22.360 -14.420 1.00 0.00 ATOM 19 C SER A 3 4.564 -21.760 -14.562 1.00 0.00 ATOM 20 N LYS A 4 3.381 -22.106 -13.919 1.00 0.00 ATOM 21 CA LYS A 4 3.318 -23.280 -13.055 1.00 0.00 ATOM 22 CB LYS A 4 2.517 -23.053 -11.778 1.00 0.00 ATOM 23 CG LYS A 4 2.908 -21.816 -10.972 1.00 0.00 ATOM 24 CD LYS A 4 2.741 -21.970 -9.486 1.00 0.00 ATOM 25 CE LYS A 4 3.551 -20.996 -8.629 1.00 0.00 ATOM 26 NZ LYS A 4 3.404 -21.309 -7.192 1.00 0.00 ATOM 27 O LYS A 4 2.482 -25.528 -13.175 1.00 0.00 ATOM 28 C LYS A 4 2.858 -24.537 -13.805 1.00 0.00 ATOM 29 N LYS A 5 2.830 -24.460 -15.139 1.00 0.00 ATOM 30 CA LYS A 5 2.327 -25.523 -15.994 1.00 0.00 ATOM 31 CB LYS A 5 3.214 -26.761 -15.851 1.00 0.00 ATOM 32 CG LYS A 5 4.669 -26.528 -16.220 1.00 0.00 ATOM 33 CD LYS A 5 5.469 -27.821 -16.157 1.00 0.00 ATOM 34 CE LYS A 5 6.944 -27.569 -16.418 1.00 0.00 ATOM 35 NZ LYS A 5 7.738 -28.828 -16.374 1.00 0.00 ATOM 36 O LYS A 5 0.516 -27.068 -15.785 1.00 0.00 ATOM 37 C LYS A 5 0.907 -25.914 -15.621 1.00 0.00 ATOM 38 N VAL A 6 0.154 -24.896 -15.132 1.00 0.00 ATOM 39 CA VAL A 6 -1.219 -25.248 -14.755 1.00 0.00 ATOM 40 CB VAL A 6 -1.482 -25.172 -13.227 1.00 0.00 ATOM 41 CG1 VAL A 6 -0.853 -26.375 -12.529 1.00 0.00 ATOM 42 CG2 VAL A 6 -0.941 -23.869 -12.662 1.00 0.00 ATOM 43 O VAL A 6 -1.928 -23.004 -15.199 1.00 0.00 ATOM 44 C VAL A 6 -2.189 -24.192 -15.340 1.00 0.00 ATOM 45 N HIS A 7 -3.395 -24.643 -15.639 1.00 0.00 ATOM 46 CA HIS A 7 -4.495 -23.733 -15.951 1.00 0.00 ATOM 47 CB HIS A 7 -5.636 -24.489 -16.635 1.00 0.00 ATOM 48 CG HIS A 7 -5.287 -25.006 -17.997 1.00 0.00 ATOM 49 CD2 HIS A 7 -5.024 -26.317 -18.573 1.00 0.00 ATOM 50 ND1 HIS A 7 -5.141 -24.182 -19.091 1.00 0.00 ATOM 51 CE1 HIS A 7 -4.831 -24.931 -20.165 1.00 0.00 ATOM 52 NE2 HIS A 7 -4.759 -26.211 -19.860 1.00 0.00 ATOM 53 O HIS A 7 -5.832 -22.074 -14.871 1.00 0.00 ATOM 54 C HIS A 7 -5.090 -23.043 -14.729 1.00 0.00 ATOM 55 N GLN A 8 -4.775 -23.522 -13.536 1.00 0.00 ATOM 56 CA GLN A 8 -5.319 -22.927 -12.318 1.00 0.00 ATOM 57 CB GLN A 8 -6.103 -23.969 -11.518 1.00 0.00 ATOM 58 CG GLN A 8 -7.346 -24.487 -12.223 1.00 0.00 ATOM 59 CD GLN A 8 -8.082 -25.537 -11.413 1.00 0.00 ATOM 60 OE1 GLN A 8 -7.680 -25.868 -10.297 1.00 0.00 ATOM 61 NE2 GLN A 8 -9.162 -26.064 -11.973 1.00 0.00 ATOM 62 O GLN A 8 -3.158 -23.012 -11.288 1.00 0.00 ATOM 63 C GLN A 8 -4.201 -22.381 -11.440 1.00 0.00 ATOM 64 N ILE A 9 -4.438 -21.219 -10.842 1.00 0.00 ATOM 65 CA ILE A 9 -3.462 -20.616 -9.946 1.00 0.00 ATOM 66 CB ILE A 9 -3.343 -19.097 -10.172 1.00 0.00 ATOM 67 CG1 ILE A 9 -2.894 -18.805 -11.605 1.00 0.00 ATOM 68 CG2 ILE A 9 -2.325 -18.494 -9.216 1.00 0.00 ATOM 69 CD1 ILE A 9 -2.960 -17.340 -11.978 1.00 0.00 ATOM 70 O ILE A 9 -5.030 -20.436 -8.138 1.00 0.00 ATOM 71 C ILE A 9 -3.956 -20.895 -8.529 1.00 0.00 ATOM 72 N ASN A 10 -3.216 -21.730 -7.811 1.00 0.00 ATOM 73 CA ASN A 10 -3.550 -22.093 -6.439 1.00 0.00 ATOM 74 CB ASN A 10 -3.161 -23.546 -6.158 1.00 0.00 ATOM 75 CG ASN A 10 -3.607 -24.014 -4.786 1.00 0.00 ATOM 76 ND2 ASN A 10 -3.799 -25.319 -4.642 1.00 0.00 ATOM 77 OD1 ASN A 10 -3.774 -23.209 -3.870 1.00 0.00 ATOM 78 O ASN A 10 -1.545 -21.117 -5.567 1.00 0.00 ATOM 79 C ASN A 10 -2.774 -21.160 -5.518 1.00 0.00 ATOM 80 N VAL A 11 -3.493 -20.399 -4.702 1.00 0.00 ATOM 81 CA VAL A 11 -2.869 -19.427 -3.817 1.00 0.00 ATOM 82 CB VAL A 11 -3.446 -18.012 -4.037 1.00 0.00 ATOM 83 CG1 VAL A 11 -2.972 -17.069 -2.947 1.00 0.00 ATOM 84 CG2 VAL A 11 -3.074 -17.492 -5.408 1.00 0.00 ATOM 85 O VAL A 11 -4.237 -19.841 -1.910 1.00 0.00 ATOM 86 C VAL A 11 -3.097 -19.657 -2.341 1.00 0.00 ATOM 87 N LYS A 12 -1.923 -19.463 -1.597 1.00 0.00 ATOM 88 CA LYS A 12 -1.909 -19.599 -0.146 1.00 0.00 ATOM 89 CB LYS A 12 -1.111 -20.836 0.270 1.00 0.00 ATOM 90 CG LYS A 12 -1.082 -21.084 1.769 1.00 0.00 ATOM 91 CD LYS A 12 -0.291 -22.337 2.107 1.00 0.00 ATOM 92 CE LYS A 12 -0.232 -22.563 3.610 1.00 0.00 ATOM 93 NZ LYS A 12 0.581 -23.760 3.959 1.00 0.00 ATOM 94 O LYS A 12 -0.068 -18.075 -0.000 1.00 0.00 ATOM 95 C LYS A 12 -1.248 -18.301 0.283 1.00 0.00 ATOM 96 N GLY A 13 -2.051 -17.405 0.841 1.00 0.00 ATOM 97 CA GLY A 13 -1.575 -16.089 1.235 1.00 0.00 ATOM 98 O GLY A 13 -2.522 -16.252 3.430 1.00 0.00 ATOM 99 C GLY A 13 -1.570 -15.890 2.740 1.00 0.00 ATOM 100 N PHE A 14 -0.476 -15.320 3.238 1.00 0.00 ATOM 101 CA PHE A 14 -0.320 -15.053 4.661 1.00 0.00 ATOM 102 CB PHE A 14 1.022 -15.581 5.174 1.00 0.00 ATOM 103 CG PHE A 14 1.125 -17.080 5.167 1.00 0.00 ATOM 104 CD1 PHE A 14 1.627 -17.749 4.066 1.00 0.00 ATOM 105 CD2 PHE A 14 0.720 -17.821 6.264 1.00 0.00 ATOM 106 CE1 PHE A 14 1.722 -19.127 4.059 1.00 0.00 ATOM 107 CE2 PHE A 14 0.815 -19.199 6.258 1.00 0.00 ATOM 108 CZ PHE A 14 1.314 -19.853 5.163 1.00 0.00 ATOM 109 O PHE A 14 0.333 -12.789 4.245 1.00 0.00 ATOM 110 C PHE A 14 -0.378 -13.550 4.893 1.00 0.00 ATOM 111 N PHE A 15 -1.269 -13.130 5.783 1.00 0.00 ATOM 112 CA PHE A 15 -1.410 -11.721 6.136 1.00 0.00 ATOM 113 CB PHE A 15 -2.792 -11.264 5.766 1.00 0.00 ATOM 114 CG PHE A 15 -3.055 -9.875 6.199 1.00 0.00 ATOM 115 CD1 PHE A 15 -2.345 -8.821 5.675 1.00 0.00 ATOM 116 CD2 PHE A 15 -4.122 -9.598 7.021 1.00 0.00 ATOM 117 CE1 PHE A 15 -2.662 -7.529 6.009 1.00 0.00 ATOM 118 CE2 PHE A 15 -4.379 -8.302 7.408 1.00 0.00 ATOM 119 CZ PHE A 15 -3.640 -7.275 6.909 1.00 0.00 ATOM 120 O PHE A 15 -2.218 -12.002 8.370 1.00 0.00 ATOM 121 C PHE A 15 -1.281 -11.666 7.645 1.00 0.00 ATOM 122 N ASP A 16 -0.141 -11.166 8.110 1.00 0.00 ATOM 123 CA ASP A 16 0.138 -11.094 9.536 1.00 0.00 ATOM 124 CB ASP A 16 -0.961 -10.318 10.265 1.00 0.00 ATOM 125 CG ASP A 16 -1.049 -8.874 9.816 1.00 0.00 ATOM 126 OD1 ASP A 16 0.007 -8.210 9.740 1.00 0.00 ATOM 127 OD2 ASP A 16 -2.172 -8.403 9.541 1.00 0.00 ATOM 128 O ASP A 16 1.132 -13.254 9.755 1.00 0.00 ATOM 129 C ASP A 16 0.200 -12.517 10.070 1.00 0.00 ATOM 130 N MET A 17 -0.911 -12.937 10.826 1.00 0.00 ATOM 131 CA MET A 17 -0.953 -14.277 11.390 1.00 0.00 ATOM 132 CB MET A 17 -0.987 -14.143 12.965 1.00 0.00 ATOM 133 CG MET A 17 0.208 -13.461 13.587 1.00 0.00 ATOM 134 SD MET A 17 0.234 -13.640 15.374 1.00 0.00 ATOM 135 CE MET A 17 -1.225 -12.716 15.831 1.00 0.00 ATOM 136 O MET A 17 -2.071 -16.338 10.990 1.00 0.00 ATOM 137 C MET A 17 -1.989 -15.141 10.705 1.00 0.00 ATOM 138 N ASP A 18 -2.705 -14.605 9.829 1.00 0.00 ATOM 139 CA ASP A 18 -3.701 -15.420 9.150 1.00 0.00 ATOM 140 CB ASP A 18 -5.014 -14.659 8.956 1.00 0.00 ATOM 141 CG ASP A 18 -5.734 -14.397 10.265 1.00 0.00 ATOM 142 OD1 ASP A 18 -5.336 -14.986 11.290 1.00 0.00 ATOM 143 OD2 ASP A 18 -6.696 -13.601 10.264 1.00 0.00 ATOM 144 O ASP A 18 -2.434 -15.359 7.109 1.00 0.00 ATOM 145 C ASP A 18 -3.290 -15.936 7.780 1.00 0.00 ATOM 146 N VAL A 19 -3.938 -17.023 7.365 1.00 0.00 ATOM 147 CA VAL A 19 -3.710 -17.607 6.050 1.00 0.00 ATOM 148 CB VAL A 19 -3.072 -19.004 6.156 1.00 0.00 ATOM 149 CG1 VAL A 19 -3.976 -19.946 6.937 1.00 0.00 ATOM 150 CG2 VAL A 19 -2.844 -19.592 4.772 1.00 0.00 ATOM 151 O VAL A 19 -6.068 -18.111 5.981 1.00 0.00 ATOM 152 C VAL A 19 -5.076 -17.739 5.346 1.00 0.00 ATOM 153 N MET A 20 -4.992 -17.433 4.086 1.00 0.00 ATOM 154 CA MET A 20 -6.191 -17.591 3.231 1.00 0.00 ATOM 155 CB MET A 20 -6.713 -16.193 2.891 1.00 0.00 ATOM 156 CG MET A 20 -7.144 -15.381 4.102 1.00 0.00 ATOM 157 SD MET A 20 -7.762 -13.746 3.658 1.00 0.00 ATOM 158 CE MET A 20 -9.315 -14.171 2.874 1.00 0.00 ATOM 159 O MET A 20 -4.796 -18.082 1.335 1.00 0.00 ATOM 160 C MET A 20 -5.838 -18.333 1.951 1.00 0.00 ATOM 161 N GLU A 21 -6.693 -19.271 1.569 1.00 0.00 ATOM 162 CA GLU A 21 -6.477 -20.068 0.371 1.00 0.00 ATOM 163 CB GLU A 21 -6.542 -21.573 0.707 1.00 0.00 ATOM 164 CG GLU A 21 -5.401 -22.013 1.613 1.00 0.00 ATOM 165 CD GLU A 21 -5.343 -23.508 1.756 1.00 0.00 ATOM 166 OE1 GLU A 21 -6.183 -24.153 2.362 1.00 0.00 ATOM 167 OE2 GLU A 21 -4.284 -24.029 1.171 1.00 0.00 ATOM 168 O GLU A 21 -8.765 -20.015 -0.347 1.00 0.00 ATOM 169 C GLU A 21 -7.582 -19.893 -0.658 1.00 0.00 ATOM 170 N VAL A 22 -7.183 -19.706 -1.909 1.00 0.00 ATOM 171 CA VAL A 22 -8.146 -19.565 -2.993 1.00 0.00 ATOM 172 CB VAL A 22 -8.583 -18.095 -3.133 1.00 0.00 ATOM 173 CG1 VAL A 22 -9.351 -17.648 -1.899 1.00 0.00 ATOM 174 CG2 VAL A 22 -7.370 -17.193 -3.298 1.00 0.00 ATOM 175 O VAL A 22 -6.317 -20.442 -4.251 1.00 0.00 ATOM 176 C VAL A 22 -7.479 -20.037 -4.270 1.00 0.00 ATOM 177 N THR A 23 -8.263 -20.145 -5.336 1.00 0.00 ATOM 178 CA THR A 23 -7.714 -20.561 -6.617 1.00 0.00 ATOM 179 CB THR A 23 -7.848 -22.080 -6.838 1.00 0.00 ATOM 180 CG2 THR A 23 -7.237 -22.479 -8.172 1.00 0.00 ATOM 181 OG1 THR A 23 -7.170 -22.781 -5.788 1.00 0.00 ATOM 182 O THR A 23 -9.600 -19.431 -7.430 1.00 0.00 ATOM 183 C THR A 23 -8.448 -19.768 -7.661 1.00 0.00 ATOM 184 N GLU A 24 -7.722 -19.490 -8.831 1.00 0.00 ATOM 185 CA GLU A 24 -8.400 -18.724 -9.899 1.00 0.00 ATOM 186 CB GLU A 24 -8.081 -17.247 -9.661 1.00 0.00 ATOM 187 CG GLU A 24 -8.644 -16.691 -8.364 1.00 0.00 ATOM 188 CD GLU A 24 -8.326 -15.222 -8.172 1.00 0.00 ATOM 189 OE1 GLU A 24 -7.626 -14.648 -9.033 1.00 0.00 ATOM 190 OE2 GLU A 24 -8.775 -14.643 -7.161 1.00 0.00 ATOM 191 O GLU A 24 -6.631 -19.535 -11.285 1.00 0.00 ATOM 192 C GLU A 24 -7.800 -19.153 -11.220 1.00 0.00 ATOM 193 N GLN A 25 -8.562 -19.010 -12.308 1.00 0.00 ATOM 194 CA GLN A 25 -8.051 -19.395 -13.622 1.00 0.00 ATOM 195 CB GLN A 25 -9.066 -19.097 -14.708 1.00 0.00 ATOM 196 CG GLN A 25 -8.480 -19.325 -16.096 1.00 0.00 ATOM 197 CD GLN A 25 -9.451 -19.044 -17.223 1.00 0.00 ATOM 198 OE1 GLN A 25 -10.187 -18.055 -17.200 1.00 0.00 ATOM 199 NE2 GLN A 25 -9.444 -19.911 -18.234 1.00 0.00 ATOM 200 O GLN A 25 -6.691 -17.428 -13.750 1.00 0.00 ATOM 201 C GLN A 25 -6.769 -18.639 -13.946 1.00 0.00 ATOM 202 N THR A 26 -5.655 -19.284 -14.475 1.00 0.00 ATOM 203 CA THR A 26 -4.458 -18.545 -14.844 1.00 0.00 ATOM 204 CB THR A 26 -3.393 -19.477 -15.451 1.00 0.00 ATOM 205 CG2 THR A 26 -2.209 -18.651 -15.913 1.00 0.00 ATOM 206 OG1 THR A 26 -2.951 -20.418 -14.467 1.00 0.00 ATOM 207 O THR A 26 -4.317 -16.393 -15.899 1.00 0.00 ATOM 208 C THR A 26 -4.809 -17.521 -15.919 1.00 0.00 ATOM 209 N LYS A 27 -5.657 -17.928 -16.860 1.00 0.00 ATOM 210 CA LYS A 27 -6.068 -17.057 -17.955 1.00 0.00 ATOM 211 CB LYS A 27 -6.939 -17.826 -18.951 1.00 0.00 ATOM 212 CG LYS A 27 -6.197 -18.907 -19.719 1.00 0.00 ATOM 213 CD LYS A 27 -7.127 -19.649 -20.664 1.00 0.00 ATOM 214 CE LYS A 27 -6.378 -20.708 -21.459 1.00 0.00 ATOM 215 NZ LYS A 27 -7.279 -21.454 -22.379 1.00 0.00 ATOM 216 O LYS A 27 -6.779 -14.762 -18.071 1.00 0.00 ATOM 217 C LYS A 27 -6.818 -15.825 -17.449 1.00 0.00 ATOM 218 N GLU A 28 -7.433 -15.924 -16.303 1.00 0.00 ATOM 219 CA GLU A 28 -8.172 -14.817 -15.708 1.00 0.00 ATOM 220 CB GLU A 28 -9.316 -15.563 -14.785 1.00 0.00 ATOM 221 CG GLU A 28 -10.526 -16.087 -15.497 1.00 0.00 ATOM 222 CD GLU A 28 -11.672 -16.363 -14.533 1.00 0.00 ATOM 223 OE1 GLU A 28 -12.109 -15.432 -13.805 1.00 0.00 ATOM 224 OE2 GLU A 28 -12.133 -17.523 -14.534 1.00 0.00 ATOM 225 O GLU A 28 -7.850 -12.571 -14.918 1.00 0.00 ATOM 226 C GLU A 28 -7.343 -13.672 -15.128 1.00 0.00 ATOM 227 N ALA A 29 -6.070 -13.934 -14.903 1.00 0.00 ATOM 228 CA ALA A 29 -5.164 -12.925 -14.354 1.00 0.00 ATOM 229 CB ALA A 29 -3.837 -13.559 -13.967 1.00 0.00 ATOM 230 O ALA A 29 -4.317 -12.098 -16.434 1.00 0.00 ATOM 231 C ALA A 29 -4.898 -11.833 -15.385 1.00 0.00 ATOM 232 N GLU A 30 -5.319 -10.608 -15.079 1.00 0.00 ATOM 233 CA GLU A 30 -5.133 -9.490 -16.000 1.00 0.00 ATOM 234 CB GLU A 30 -6.293 -8.501 -15.881 1.00 0.00 ATOM 235 CG GLU A 30 -7.636 -9.063 -16.317 1.00 0.00 ATOM 236 CD GLU A 30 -8.768 -8.069 -16.142 1.00 0.00 ATOM 237 OE1 GLU A 30 -8.508 -6.953 -15.648 1.00 0.00 ATOM 238 OE2 GLU A 30 -9.916 -8.408 -16.500 1.00 0.00 ATOM 239 O GLU A 30 -3.077 -8.338 -16.659 1.00 0.00 ATOM 240 C GLU A 30 -3.836 -8.704 -15.736 1.00 0.00 ATOM 241 N TYR A 31 -3.472 -8.530 -14.356 1.00 0.00 ATOM 242 CA TYR A 31 -2.237 -7.858 -13.973 1.00 0.00 ATOM 243 CB TYR A 31 -2.171 -6.462 -14.595 1.00 0.00 ATOM 244 CG TYR A 31 -3.382 -5.604 -14.305 1.00 0.00 ATOM 245 CD1 TYR A 31 -3.473 -4.875 -13.127 1.00 0.00 ATOM 246 CD2 TYR A 31 -4.431 -5.526 -15.212 1.00 0.00 ATOM 247 CE1 TYR A 31 -4.576 -4.089 -12.853 1.00 0.00 ATOM 248 CE2 TYR A 31 -5.543 -4.746 -14.957 1.00 0.00 ATOM 249 CZ TYR A 31 -5.608 -4.024 -13.765 1.00 0.00 ATOM 250 OH TYR A 31 -6.707 -3.243 -13.496 1.00 0.00 ATOM 251 O TYR A 31 -2.936 -8.111 -11.703 1.00 0.00 ATOM 252 C TYR A 31 -2.084 -7.679 -12.479 1.00 0.00 ATOM 253 N THR A 32 -1.020 -6.995 -12.082 1.00 0.00 ATOM 254 CA THR A 32 -0.735 -6.752 -10.677 1.00 0.00 ATOM 255 CB THR A 32 0.554 -5.927 -10.498 1.00 0.00 ATOM 256 CG2 THR A 32 0.807 -5.650 -9.023 1.00 0.00 ATOM 257 OG1 THR A 32 1.668 -6.654 -11.032 1.00 0.00 ATOM 258 O THR A 32 -2.179 -6.340 -8.809 1.00 0.00 ATOM 259 C THR A 32 -1.827 -5.982 -9.933 1.00 0.00 ATOM 260 N TYR A 33 -2.372 -4.898 -10.455 1.00 0.00 ATOM 261 CA TYR A 33 -3.408 -4.118 -9.786 1.00 0.00 ATOM 262 CB TYR A 33 -3.901 -2.990 -10.693 1.00 0.00 ATOM 263 CG TYR A 33 -5.008 -2.156 -10.089 1.00 0.00 ATOM 264 CD1 TYR A 33 -4.724 -1.162 -9.162 1.00 0.00 ATOM 265 CD2 TYR A 33 -6.333 -2.365 -10.447 1.00 0.00 ATOM 266 CE1 TYR A 33 -5.729 -0.394 -8.604 1.00 0.00 ATOM 267 CE2 TYR A 33 -7.351 -1.608 -9.901 1.00 0.00 ATOM 268 CZ TYR A 33 -7.038 -0.616 -8.973 1.00 0.00 ATOM 269 OH TYR A 33 -8.040 0.147 -8.418 1.00 0.00 ATOM 270 O TYR A 33 -5.070 -4.968 -8.280 1.00 0.00 ATOM 271 C TYR A 33 -4.611 -4.977 -9.421 1.00 0.00 ATOM 272 N ASP A 34 -5.086 -5.752 -10.385 1.00 0.00 ATOM 273 CA ASP A 34 -6.237 -6.618 -10.179 1.00 0.00 ATOM 274 CB ASP A 34 -6.669 -7.258 -11.500 1.00 0.00 ATOM 275 CG ASP A 34 -7.349 -6.272 -12.430 1.00 0.00 ATOM 276 OD1 ASP A 34 -7.707 -5.167 -11.967 1.00 0.00 ATOM 277 OD2 ASP A 34 -7.525 -6.602 -13.621 1.00 0.00 ATOM 278 O ASP A 34 -6.751 -8.050 -8.317 1.00 0.00 ATOM 279 C ASP A 34 -5.939 -7.750 -9.196 1.00 0.00 ATOM 280 N PHE A 35 -4.731 -8.329 -9.327 1.00 0.00 ATOM 281 CA PHE A 35 -4.310 -9.408 -8.443 1.00 0.00 ATOM 282 CB PHE A 35 -2.995 -9.916 -8.660 1.00 0.00 ATOM 283 CG PHE A 35 -3.007 -10.965 -9.770 1.00 0.00 ATOM 284 CD1 PHE A 35 -3.661 -12.169 -9.610 1.00 0.00 ATOM 285 CD2 PHE A 35 -2.338 -10.734 -10.974 1.00 0.00 ATOM 286 CE1 PHE A 35 -3.614 -13.141 -10.637 1.00 0.00 ATOM 287 CE2 PHE A 35 -2.301 -11.684 -11.958 1.00 0.00 ATOM 288 CZ PHE A 35 -2.935 -12.887 -11.794 1.00 0.00 ATOM 289 O PHE A 35 -4.584 -9.348 -6.050 1.00 0.00 ATOM 290 C PHE A 35 -4.100 -8.817 -7.050 1.00 0.00 ATOM 291 N LYS A 36 -3.375 -7.709 -6.999 1.00 0.00 ATOM 292 CA LYS A 36 -3.087 -7.029 -5.741 1.00 0.00 ATOM 293 CB LYS A 36 -2.248 -5.773 -5.990 1.00 0.00 ATOM 294 CG LYS A 36 -1.862 -5.025 -4.724 1.00 0.00 ATOM 295 CD LYS A 36 -0.967 -3.835 -5.038 1.00 0.00 ATOM 296 CE LYS A 36 -0.604 -3.070 -3.778 1.00 0.00 ATOM 297 NZ LYS A 36 0.260 -1.893 -4.071 1.00 0.00 ATOM 298 O LYS A 36 -4.438 -6.720 -3.782 1.00 0.00 ATOM 299 C LYS A 36 -4.349 -6.588 -4.999 1.00 0.00 ATOM 300 N GLU A 37 -5.310 -6.024 -5.724 1.00 0.00 ATOM 301 CA GLU A 37 -6.545 -5.546 -5.098 1.00 0.00 ATOM 302 CB GLU A 37 -7.453 -4.888 -6.139 1.00 0.00 ATOM 303 CG GLU A 37 -8.733 -4.305 -5.565 1.00 0.00 ATOM 304 CD GLU A 37 -9.579 -3.612 -6.615 1.00 0.00 ATOM 305 OE1 GLU A 37 -9.153 -3.570 -7.789 1.00 0.00 ATOM 306 OE2 GLU A 37 -10.667 -3.108 -6.264 1.00 0.00 ATOM 307 O GLU A 37 -7.864 -6.514 -3.330 1.00 0.00 ATOM 308 C GLU A 37 -7.347 -6.669 -4.442 1.00 0.00 ATOM 309 N ILE A 38 -7.445 -7.806 -5.132 1.00 0.00 ATOM 310 CA ILE A 38 -8.183 -8.936 -4.584 1.00 0.00 ATOM 311 CB ILE A 38 -8.247 -10.106 -5.583 1.00 0.00 ATOM 312 CG1 ILE A 38 -9.106 -9.729 -6.792 1.00 0.00 ATOM 313 CG2 ILE A 38 -8.854 -11.336 -4.925 1.00 0.00 ATOM 314 CD1 ILE A 38 -9.010 -10.709 -7.939 1.00 0.00 ATOM 315 O ILE A 38 -8.188 -9.793 -2.338 1.00 0.00 ATOM 316 C ILE A 38 -7.509 -9.438 -3.311 1.00 0.00 ATOM 317 N LEU A 39 -6.177 -9.481 -3.297 1.00 0.00 ATOM 318 CA LEU A 39 -5.446 -9.976 -2.136 1.00 0.00 ATOM 319 CB LEU A 39 -3.949 -10.051 -2.438 1.00 0.00 ATOM 320 CG LEU A 39 -3.055 -10.572 -1.309 1.00 0.00 ATOM 321 CD1 LEU A 39 -3.434 -11.998 -0.939 1.00 0.00 ATOM 322 CD2 LEU A 39 -1.595 -10.563 -1.732 1.00 0.00 ATOM 323 O LEU A 39 -5.938 -9.507 0.155 1.00 0.00 ATOM 324 C LEU A 39 -5.677 -9.052 -0.955 1.00 0.00 ATOM 325 N SER A 40 -5.575 -7.748 -1.189 1.00 0.00 ATOM 326 CA SER A 40 -5.782 -6.789 -0.115 1.00 0.00 ATOM 327 CB SER A 40 -5.464 -5.372 -0.597 1.00 0.00 ATOM 328 OG SER A 40 -6.393 -4.947 -1.580 1.00 0.00 ATOM 329 O SER A 40 -7.500 -6.564 1.558 1.00 0.00 ATOM 330 C SER A 40 -7.231 -6.817 0.381 1.00 0.00 ATOM 331 N GLU A 41 -8.143 -7.130 -0.514 1.00 0.00 ATOM 332 CA GLU A 41 -9.595 -7.226 -0.108 1.00 0.00 ATOM 333 CB GLU A 41 -10.440 -7.546 -1.347 1.00 0.00 ATOM 334 CG GLU A 41 -11.943 -7.429 -1.119 1.00 0.00 ATOM 335 CD GLU A 41 -12.741 -7.920 -2.341 1.00 0.00 ATOM 336 OE1 GLU A 41 -12.192 -8.759 -3.144 1.00 0.00 ATOM 337 OE2 GLU A 41 -13.918 -7.484 -2.496 1.00 0.00 ATOM 338 O GLU A 41 -10.417 -8.083 1.999 1.00 0.00 ATOM 339 C GLU A 41 -9.793 -8.355 0.931 1.00 0.00 ATOM 340 N PHE A 42 -9.220 -9.514 0.757 1.00 0.00 ATOM 341 CA PHE A 42 -9.293 -10.533 1.792 1.00 0.00 ATOM 342 CB PHE A 42 -8.547 -11.795 1.356 1.00 0.00 ATOM 343 CG PHE A 42 -9.209 -12.532 0.229 1.00 0.00 ATOM 344 CD1 PHE A 42 -10.522 -12.263 -0.117 1.00 0.00 ATOM 345 CD2 PHE A 42 -8.520 -13.495 -0.489 1.00 0.00 ATOM 346 CE1 PHE A 42 -11.133 -12.941 -1.155 1.00 0.00 ATOM 347 CE2 PHE A 42 -9.131 -14.173 -1.527 1.00 0.00 ATOM 348 CZ PHE A 42 -10.431 -13.900 -1.861 1.00 0.00 ATOM 349 O PHE A 42 -9.177 -10.470 4.190 1.00 0.00 ATOM 350 C PHE A 42 -8.667 -10.122 3.120 1.00 0.00 ATOM 351 N ASN A 43 -7.565 -9.445 3.039 1.00 0.00 ATOM 352 CA ASN A 43 -6.871 -9.003 4.239 1.00 0.00 ATOM 353 CB ASN A 43 -5.366 -9.076 4.025 1.00 0.00 ATOM 354 CG ASN A 43 -4.921 -10.466 3.639 1.00 0.00 ATOM 355 ND2 ASN A 43 -4.003 -10.561 2.699 1.00 0.00 ATOM 356 OD1 ASN A 43 -5.453 -11.444 4.169 1.00 0.00 ATOM 357 O ASN A 43 -6.724 -7.056 5.636 1.00 0.00 ATOM 358 C ASN A 43 -7.318 -7.622 4.718 1.00 0.00 ATOM 359 N GLY A 44 -8.370 -7.093 4.097 1.00 0.00 ATOM 360 CA GLY A 44 -8.943 -5.795 4.470 1.00 0.00 ATOM 361 O GLY A 44 -8.538 -3.449 4.041 1.00 0.00 ATOM 362 C GLY A 44 -8.094 -4.602 3.991 1.00 0.00 ATOM 363 N LYS A 45 -6.107 -3.076 3.206 1.00 0.00 ATOM 364 CA LYS A 45 -5.871 -1.631 3.199 1.00 0.00 ATOM 365 CB LYS A 45 -5.164 -1.192 4.485 1.00 0.00 ATOM 366 CG LYS A 45 -6.095 -1.248 5.695 1.00 0.00 ATOM 367 CD LYS A 45 -5.673 -0.316 6.817 1.00 0.00 ATOM 368 CE LYS A 45 -4.423 -0.837 7.520 1.00 0.00 ATOM 369 NZ LYS A 45 -3.886 0.116 8.549 1.00 0.00 ATOM 370 O LYS A 45 -4.358 -1.903 1.337 1.00 0.00 ATOM 371 C LYS A 45 -5.197 -1.193 1.901 1.00 0.00 ATOM 372 N ASN A 46 -3.768 -0.037 1.857 1.00 0.00 ATOM 373 CA ASN A 46 -2.487 0.007 1.156 1.00 0.00 ATOM 374 CB ASN A 46 -1.718 1.098 1.845 1.00 0.00 ATOM 375 CG ASN A 46 -0.325 1.134 1.238 1.00 0.00 ATOM 376 ND2 ASN A 46 0.482 2.097 1.672 1.00 0.00 ATOM 377 OD1 ASN A 46 0.016 0.313 0.388 1.00 0.00 ATOM 378 O ASN A 46 -1.527 -1.332 2.881 1.00 0.00 ATOM 379 C ASN A 46 -1.679 -1.172 1.678 1.00 0.00 ATOM 380 N VAL A 47 -1.152 -1.989 0.774 1.00 0.00 ATOM 381 CA VAL A 47 -0.368 -3.148 1.183 1.00 0.00 ATOM 382 CB VAL A 47 -1.270 -4.410 1.271 1.00 0.00 ATOM 383 CG1 VAL A 47 -2.429 -4.146 2.243 1.00 0.00 ATOM 384 CG2 VAL A 47 -1.840 -4.769 -0.105 1.00 0.00 ATOM 385 O VAL A 47 0.942 -2.817 -0.802 1.00 0.00 ATOM 386 C VAL A 47 0.842 -3.367 0.296 1.00 0.00 ATOM 387 N SER A 48 1.777 -4.160 0.807 1.00 0.00 ATOM 388 CA SER A 48 2.955 -4.555 0.048 1.00 0.00 ATOM 389 CB SER A 48 4.226 -4.226 0.835 1.00 0.00 ATOM 390 OG SER A 48 5.383 -4.646 0.134 1.00 0.00 ATOM 391 O SER A 48 2.411 -6.750 0.816 1.00 0.00 ATOM 392 C SER A 48 2.768 -6.053 -0.129 1.00 0.00 ATOM 393 N ILE A 49 2.921 -6.526 -1.359 1.00 0.00 ATOM 394 CA ILE A 49 2.758 -7.938 -1.658 1.00 0.00 ATOM 395 CB ILE A 49 1.722 -8.203 -2.830 1.00 0.00 ATOM 396 CG1 ILE A 49 2.057 -7.338 -4.059 1.00 0.00 ATOM 397 CG2 ILE A 49 0.281 -7.994 -2.338 1.00 0.00 ATOM 398 CD1 ILE A 49 1.322 -7.795 -5.332 1.00 0.00 ATOM 399 O ILE A 49 4.792 -8.032 -2.920 1.00 0.00 ATOM 400 C ILE A 49 4.032 -8.605 -2.137 1.00 0.00 ATOM 401 N THR A 50 4.176 -9.873 -1.781 1.00 0.00 ATOM 402 CA THR A 50 5.341 -10.615 -2.209 1.00 0.00 ATOM 403 CB THR A 50 6.439 -10.548 -1.131 1.00 0.00 ATOM 404 CG2 THR A 50 6.766 -9.102 -0.793 1.00 0.00 ATOM 405 OG1 THR A 50 5.987 -11.211 0.057 1.00 0.00 ATOM 406 O THR A 50 3.930 -12.527 -2.005 1.00 0.00 ATOM 407 C THR A 50 4.989 -12.065 -2.436 1.00 0.00 ATOM 408 N VAL A 51 5.876 -12.844 -2.976 1.00 0.00 ATOM 409 CA VAL A 51 5.657 -14.261 -3.211 1.00 0.00 ATOM 410 CB VAL A 51 5.145 -14.556 -4.620 1.00 0.00 ATOM 411 CG1 VAL A 51 3.835 -13.921 -4.771 1.00 0.00 ATOM 412 CG2 VAL A 51 6.123 -14.071 -5.684 1.00 0.00 ATOM 413 O VAL A 51 8.096 -14.441 -3.083 1.00 0.00 ATOM 414 C VAL A 51 6.989 -15.005 -2.981 1.00 0.00 ATOM 415 N LYS A 52 6.883 -16.279 -2.629 1.00 0.00 ATOM 416 CA LYS A 52 8.061 -17.069 -2.424 1.00 0.00 ATOM 417 CB LYS A 52 7.831 -18.045 -1.269 1.00 0.00 ATOM 418 CG LYS A 52 9.062 -18.848 -0.880 1.00 0.00 ATOM 419 CD LYS A 52 8.755 -19.820 0.248 1.00 0.00 ATOM 420 CE LYS A 52 9.988 -20.615 0.642 1.00 0.00 ATOM 421 NZ LYS A 52 9.703 -21.568 1.751 1.00 0.00 ATOM 422 O LYS A 52 7.471 -18.572 -4.192 1.00 0.00 ATOM 423 C LYS A 52 8.337 -17.839 -3.709 1.00 0.00 ATOM 424 N GLU A 53 9.523 -17.651 -4.283 1.00 0.00 ATOM 425 CA GLU A 53 9.847 -18.348 -5.522 1.00 0.00 ATOM 426 CB GLU A 53 10.983 -17.632 -6.255 1.00 0.00 ATOM 427 CG GLU A 53 10.646 -16.212 -6.685 1.00 0.00 ATOM 428 CD GLU A 53 11.847 -15.470 -7.236 1.00 0.00 ATOM 429 OE1 GLU A 53 12.956 -16.045 -7.229 1.00 0.00 ATOM 430 OE2 GLU A 53 11.679 -14.314 -7.676 1.00 0.00 ATOM 431 O GLU A 53 10.297 -20.242 -4.140 1.00 0.00 ATOM 432 C GLU A 53 10.284 -19.789 -5.285 1.00 0.00 ATOM 433 N GLU A 54 12.113 -20.616 -3.350 1.00 0.00 ATOM 434 CA GLU A 54 12.003 -20.464 -1.879 1.00 0.00 ATOM 435 CB GLU A 54 13.222 -21.122 -1.230 1.00 0.00 ATOM 436 CG GLU A 54 14.535 -20.590 -1.768 1.00 0.00 ATOM 437 CD GLU A 54 15.135 -21.411 -2.895 1.00 0.00 ATOM 438 OE1 GLU A 54 14.420 -22.114 -3.651 1.00 0.00 ATOM 439 OE2 GLU A 54 16.386 -21.338 -3.040 1.00 0.00 ATOM 440 O GLU A 54 11.588 -18.779 -0.281 1.00 0.00 ATOM 441 C GLU A 54 11.943 -19.016 -1.427 1.00 0.00 ATOM 442 N ASN A 55 12.451 -18.107 -2.263 1.00 0.00 ATOM 443 CA ASN A 55 12.438 -16.674 -2.008 1.00 0.00 ATOM 444 CB ASN A 55 13.830 -16.084 -1.956 1.00 0.00 ATOM 445 CG ASN A 55 14.608 -16.672 -0.790 1.00 0.00 ATOM 446 ND2 ASN A 55 15.806 -17.211 -1.088 1.00 0.00 ATOM 447 OD1 ASN A 55 14.117 -16.650 0.333 1.00 0.00 ATOM 448 O ASN A 55 12.169 -15.640 -4.135 1.00 0.00 ATOM 449 C ASN A 55 11.612 -16.032 -3.107 1.00 0.00 ATOM 450 N GLU A 56 12.008 -15.141 -0.710 1.00 0.00 ATOM 451 CA GLU A 56 10.894 -14.205 -0.711 1.00 0.00 ATOM 452 CB GLU A 56 10.563 -13.709 0.677 1.00 0.00 ATOM 453 CG GLU A 56 10.033 -14.795 1.619 1.00 0.00 ATOM 454 CD GLU A 56 10.192 -14.381 3.067 1.00 0.00 ATOM 455 OE1 GLU A 56 11.298 -13.996 3.495 1.00 0.00 ATOM 456 OE2 GLU A 56 9.190 -14.422 3.779 1.00 0.00 ATOM 457 O GLU A 56 12.213 -12.315 -1.373 1.00 0.00 ATOM 458 C GLU A 56 11.238 -13.034 -1.614 1.00 0.00 ATOM 459 N LEU A 57 10.437 -12.816 -2.638 1.00 0.00 ATOM 460 CA LEU A 57 10.640 -11.738 -3.596 1.00 0.00 ATOM 461 CB LEU A 57 11.109 -12.298 -4.940 1.00 0.00 ATOM 462 CG LEU A 57 11.301 -11.281 -6.068 1.00 0.00 ATOM 463 CD1 LEU A 57 12.457 -10.344 -5.755 1.00 0.00 ATOM 464 CD2 LEU A 57 11.603 -11.985 -7.382 1.00 0.00 ATOM 465 O LEU A 57 8.293 -11.649 -3.969 1.00 0.00 ATOM 466 C LEU A 57 9.316 -10.988 -3.797 1.00 0.00 ATOM 467 N PRO A 58 9.268 -9.655 -3.715 1.00 0.00 ATOM 468 CA PRO A 58 8.012 -8.961 -4.023 1.00 0.00 ATOM 469 CB PRO A 58 8.314 -7.495 -3.713 1.00 0.00 ATOM 470 CG PRO A 58 9.422 -7.542 -2.714 1.00 0.00 ATOM 471 CD PRO A 58 10.294 -8.699 -3.115 1.00 0.00 ATOM 472 O PRO A 58 8.330 -8.645 -6.379 1.00 0.00 ATOM 473 C PRO A 58 7.569 -9.007 -5.482 1.00 0.00 ATOM 474 N VAL A 59 6.358 -9.424 -5.721 1.00 0.00 ATOM 475 CA VAL A 59 5.853 -9.507 -7.082 1.00 0.00 ATOM 476 CB VAL A 59 6.091 -10.923 -7.642 1.00 0.00 ATOM 477 CG1 VAL A 59 5.302 -11.950 -6.845 1.00 0.00 ATOM 478 CG2 VAL A 59 5.649 -11.001 -9.096 1.00 0.00 ATOM 479 O VAL A 59 3.646 -9.760 -6.176 1.00 0.00 ATOM 480 C VAL A 59 4.345 -9.306 -7.066 1.00 0.00 ATOM 481 N LYS A 60 3.866 -8.616 -8.064 1.00 0.00 ATOM 482 CA LYS A 60 2.456 -8.328 -8.229 1.00 0.00 ATOM 483 CB LYS A 60 2.555 -6.559 -8.523 1.00 0.00 ATOM 484 CG LYS A 60 3.770 -5.778 -8.035 1.00 0.00 ATOM 485 CD LYS A 60 3.826 -4.409 -8.697 1.00 0.00 ATOM 486 CE LYS A 60 5.092 -3.666 -8.282 1.00 0.00 ATOM 487 NZ LYS A 60 4.983 -3.153 -6.887 1.00 0.00 ATOM 488 O LYS A 60 0.475 -9.092 -9.313 1.00 0.00 ATOM 489 C LYS A 60 1.695 -9.116 -9.298 1.00 0.00 ATOM 490 N GLY A 61 2.422 -9.883 -10.100 1.00 0.00 ATOM 491 CA GLY A 61 1.855 -10.770 -11.120 1.00 0.00 ATOM 492 O GLY A 61 3.931 -11.915 -11.079 1.00 0.00 ATOM 493 C GLY A 61 2.708 -12.013 -11.123 1.00 0.00 ATOM 494 N VAL A 62 2.054 -13.180 -11.151 1.00 0.00 ATOM 495 CA VAL A 62 2.762 -14.441 -11.325 1.00 0.00 ATOM 496 CB VAL A 62 2.585 -15.382 -10.119 1.00 0.00 ATOM 497 CG1 VAL A 62 3.555 -16.550 -10.208 1.00 0.00 ATOM 498 CG2 VAL A 62 2.849 -14.637 -8.819 1.00 0.00 ATOM 499 O VAL A 62 2.769 -16.344 -12.776 1.00 0.00 ATOM 500 C VAL A 62 2.294 -15.231 -12.542 1.00 0.00 ATOM 501 N GLU A 63 4.870 -18.222 -11.940 1.00 0.00 ATOM 502 CA GLU A 63 5.788 -19.210 -12.499 1.00 0.00 ATOM 503 CB GLU A 63 6.397 -18.695 -13.805 1.00 0.00 ATOM 504 CG GLU A 63 7.279 -17.468 -13.636 1.00 0.00 ATOM 505 CD GLU A 63 7.814 -16.951 -14.957 1.00 0.00 ATOM 506 OE1 GLU A 63 7.471 -17.532 -16.006 1.00 0.00 ATOM 507 OE2 GLU A 63 8.580 -15.963 -14.941 1.00 0.00 ATOM 508 O GLU A 63 8.085 -19.504 -11.856 1.00 0.00 ATOM 509 C GLU A 63 6.907 -19.487 -11.497 1.00 0.00 ATOM 510 N MET A 64 6.534 -19.627 -10.227 1.00 0.00 ATOM 511 CA MET A 64 7.503 -19.868 -9.162 1.00 0.00 ATOM 512 CB MET A 64 7.504 -18.383 -8.368 1.00 0.00 ATOM 513 CG MET A 64 7.256 -17.141 -9.269 1.00 0.00 ATOM 514 SD MET A 64 7.011 -15.647 -8.256 1.00 0.00 ATOM 515 CE MET A 64 5.331 -15.983 -7.665 1.00 0.00 ATOM 516 O MET A 64 7.403 -21.540 -7.428 1.00 0.00 ATOM 517 C MET A 64 7.532 -21.300 -8.630 1.00 0.00 ATOM 518 N ALA A 65 7.796 -22.353 -9.523 1.00 0.00 ATOM 519 CA ALA A 65 7.833 -23.731 -9.065 1.00 0.00 ATOM 520 CB ALA A 65 8.529 -23.823 -7.715 1.00 0.00 ATOM 521 O ALA A 65 5.467 -23.880 -9.374 1.00 0.00 ATOM 522 C ALA A 65 6.480 -24.396 -8.903 1.00 0.00 ATOM 523 N GLY A 66 6.435 -25.555 -8.226 1.00 0.00 ATOM 524 CA GLY A 66 5.191 -26.295 -8.004 1.00 0.00 ATOM 525 O GLY A 66 4.660 -24.645 -6.335 1.00 0.00 ATOM 526 C GLY A 66 4.253 -25.558 -7.056 1.00 0.00 ATOM 527 N ASP A 67 2.878 -25.845 -6.896 1.00 0.00 ATOM 528 CA ASP A 67 1.909 -25.165 -6.037 1.00 0.00 ATOM 529 CB ASP A 67 0.482 -25.541 -6.438 1.00 0.00 ATOM 530 CG ASP A 67 0.058 -24.907 -7.748 1.00 0.00 ATOM 531 OD1 ASP A 67 0.781 -24.016 -8.238 1.00 0.00 ATOM 532 OD2 ASP A 67 -0.998 -25.304 -8.285 1.00 0.00 ATOM 533 O ASP A 67 2.851 -26.480 -4.258 1.00 0.00 ATOM 534 C ASP A 67 2.173 -25.503 -4.571 1.00 0.00 ATOM 535 N PRO A 68 1.649 -24.684 -3.652 1.00 0.00 ATOM 536 CA PRO A 68 0.845 -23.502 -3.959 1.00 0.00 ATOM 537 CB PRO A 68 -0.064 -23.304 -2.743 1.00 0.00 ATOM 538 CG PRO A 68 0.735 -23.818 -1.593 1.00 0.00 ATOM 539 CD PRO A 68 1.486 -25.015 -2.108 1.00 0.00 ATOM 540 O PRO A 68 2.937 -22.327 -3.794 1.00 0.00 ATOM 541 C PRO A 68 1.756 -22.298 -4.155 1.00 0.00 ATOM 542 N LEU A 69 1.195 -21.244 -4.732 1.00 0.00 ATOM 543 CA LEU A 69 1.925 -19.999 -4.901 1.00 0.00 ATOM 544 CB LEU A 69 1.319 -19.174 -6.038 1.00 0.00 ATOM 545 CG LEU A 69 2.006 -17.842 -6.348 1.00 0.00 ATOM 546 CD1 LEU A 69 3.417 -18.073 -6.867 1.00 0.00 ATOM 547 CD2 LEU A 69 1.231 -17.071 -7.405 1.00 0.00 ATOM 548 O LEU A 69 0.603 -19.123 -3.101 1.00 0.00 ATOM 549 C LEU A 69 1.736 -19.356 -3.533 1.00 0.00 ATOM 550 N GLU A 70 2.836 -19.189 -2.808 1.00 0.00 ATOM 551 CA GLU A 70 2.791 -18.623 -1.467 1.00 0.00 ATOM 552 CB GLU A 70 3.902 -19.217 -0.600 1.00 0.00 ATOM 553 CG GLU A 70 3.888 -18.735 0.842 1.00 0.00 ATOM 554 CD GLU A 70 4.983 -19.368 1.679 1.00 0.00 ATOM 555 OE1 GLU A 70 5.783 -20.148 1.119 1.00 0.00 ATOM 556 OE2 GLU A 70 5.042 -19.085 2.894 1.00 0.00 ATOM 557 O GLU A 70 4.032 -16.611 -1.872 1.00 0.00 ATOM 558 C GLU A 70 2.967 -17.117 -1.519 1.00 0.00 ATOM 559 N HIS A 71 1.928 -16.401 -1.100 1.00 0.00 ATOM 560 CA HIS A 71 1.947 -14.951 -1.118 1.00 0.00 ATOM 561 CB HIS A 71 0.611 -14.389 -1.592 1.00 0.00 ATOM 562 CG HIS A 71 0.235 -14.797 -2.983 1.00 0.00 ATOM 563 CD2 HIS A 71 0.949 -15.386 -3.972 1.00 0.00 ATOM 564 ND1 HIS A 71 -1.014 -14.551 -3.506 1.00 0.00 ATOM 565 CE1 HIS A 71 -1.056 -14.966 -4.761 1.00 0.00 ATOM 566 NE2 HIS A 71 0.123 -15.478 -5.068 1.00 0.00 ATOM 567 O HIS A 71 1.491 -14.963 1.230 1.00 0.00 ATOM 568 C HIS A 71 1.969 -14.355 0.271 1.00 0.00 ATOM 569 N HIS A 72 2.538 -13.158 0.360 1.00 0.00 ATOM 570 CA HIS A 72 2.612 -12.427 1.610 1.00 0.00 ATOM 571 CB HIS A 72 4.072 -12.239 2.025 1.00 0.00 ATOM 572 CG HIS A 72 4.818 -13.522 2.212 1.00 0.00 ATOM 573 CD2 HIS A 72 5.672 -14.358 1.381 1.00 0.00 ATOM 574 ND1 HIS A 72 4.808 -14.223 3.399 1.00 0.00 ATOM 575 CE1 HIS A 72 5.564 -15.327 3.263 1.00 0.00 ATOM 576 NE2 HIS A 72 6.086 -15.414 2.054 1.00 0.00 ATOM 577 O HIS A 72 2.351 -10.298 0.526 1.00 0.00 ATOM 578 C HIS A 72 1.978 -11.055 1.426 1.00 0.00 ATOM 579 N HIS A 73 1.034 -10.729 2.298 1.00 0.00 ATOM 580 CA HIS A 73 0.366 -9.439 2.268 1.00 0.00 ATOM 581 CB HIS A 73 -1.128 -9.706 2.398 1.00 0.00 ATOM 582 CG HIS A 73 -1.920 -8.433 2.388 1.00 0.00 ATOM 583 CD2 HIS A 73 -1.571 -7.180 2.678 1.00 0.00 ATOM 584 ND1 HIS A 73 -3.282 -8.396 2.132 1.00 0.00 ATOM 585 CE1 HIS A 73 -3.695 -7.137 2.192 1.00 0.00 ATOM 586 NE2 HIS A 73 -2.644 -6.364 2.476 1.00 0.00 ATOM 587 O HIS A 73 0.412 -9.232 4.651 1.00 0.00 ATOM 588 C HIS A 73 0.689 -8.717 3.567 1.00 0.00 ATOM 589 N HIS A 74 1.308 -7.545 3.458 1.00 0.00 ATOM 590 CA HIS A 74 1.667 -6.752 4.627 1.00 0.00 ATOM 591 CB HIS A 74 3.190 -6.697 4.772 1.00 0.00 ATOM 592 CG HIS A 74 3.824 -8.032 5.004 1.00 0.00 ATOM 593 CD2 HIS A 74 4.533 -9.002 4.181 1.00 0.00 ATOM 594 ND1 HIS A 74 3.834 -8.647 6.237 1.00 0.00 ATOM 595 CE1 HIS A 74 4.472 -9.827 6.133 1.00 0.00 ATOM 596 NE2 HIS A 74 4.894 -10.047 4.902 1.00 0.00 ATOM 597 O HIS A 74 0.938 -4.812 3.424 1.00 0.00 ATOM 598 C HIS A 74 1.137 -5.330 4.520 1.00 0.00 ATOM 599 N HIS A 75 0.912 -4.723 5.679 1.00 0.00 ATOM 600 CA HIS A 75 0.390 -3.344 5.707 1.00 0.00 ATOM 601 CB HIS A 75 0.241 -2.931 7.164 1.00 0.00 ATOM 602 CG HIS A 75 0.073 -1.438 7.346 1.00 0.00 ATOM 603 CD2 HIS A 75 0.869 -0.541 7.952 1.00 0.00 ATOM 604 ND1 HIS A 75 -1.038 -0.787 6.795 1.00 0.00 ATOM 605 CE1 HIS A 75 -0.848 0.493 7.168 1.00 0.00 ATOM 606 NE2 HIS A 75 0.254 0.728 7.833 1.00 0.00 ATOM 607 O HIS A 75 0.877 -1.525 4.179 1.00 0.00 ATOM 608 C HIS A 75 1.337 -2.421 4.961 1.00 0.00 ATOM 609 N HIS A 76 2.649 -2.539 5.159 1.00 0.00 ATOM 610 CA HIS A 76 3.571 -1.629 4.451 1.00 0.00 ATOM 611 CB HIS A 76 4.970 -1.791 5.041 1.00 0.00 ATOM 612 CG HIS A 76 5.094 -1.174 6.402 1.00 0.00 ATOM 613 CD2 HIS A 76 4.442 -0.151 6.994 1.00 0.00 ATOM 614 ND1 HIS A 76 5.984 -1.665 7.331 1.00 0.00 ATOM 615 CE1 HIS A 76 5.906 -0.936 8.424 1.00 0.00 ATOM 616 NE2 HIS A 76 4.979 -0.019 8.274 1.00 0.00 ATOM 617 O HIS A 76 3.688 -0.896 2.193 1.00 0.00 ATOM 618 C HIS A 76 3.540 -1.896 2.986 1.00 0.00 ENDMDL EXPDTA 2h4oA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h4oA ATOM 1 N ALA 2 -14.899 -30.041 12.533 1.00 0.00 ATOM 2 CA ALA 2 -13.943 -29.956 11.382 1.00 0.00 ATOM 3 CB ALA 2 -13.381 -31.341 11.080 1.00 0.00 ATOM 4 O ALA 2 -13.932 -29.015 9.150 1.00 0.00 ATOM 5 C ALA 2 -14.597 -29.381 10.125 1.00 0.00 ATOM 6 N SER 3 -15.918 -29.334 10.139 1.00 0.00 ATOM 7 CA SER 3 -16.650 -28.798 9.019 1.00 0.00 ATOM 8 CB SER 3 -18.135 -29.001 9.270 1.00 0.00 ATOM 9 OG SER 3 -18.342 -30.323 9.734 1.00 0.00 ATOM 10 O SER 3 -16.244 -26.615 9.915 1.00 0.00 ATOM 11 C SER 3 -16.314 -27.309 8.914 1.00 0.00 ATOM 12 N LYS 4 -16.105 -26.823 7.698 1.00 0.00 ATOM 13 CA LYS 4 -15.780 -25.439 7.514 1.00 0.00 ATOM 14 CB LYS 4 -14.336 -25.211 7.932 1.00 0.00 ATOM 15 CG LYS 4 -13.354 -26.106 7.252 1.00 0.00 ATOM 16 CD LYS 4 -11.941 -25.638 7.505 1.00 0.00 ATOM 17 CE LYS 4 -10.937 -26.742 7.148 1.00 0.00 ATOM 18 NZ LYS 4 -9.544 -26.245 6.911 1.00 0.00 ATOM 19 O LYS 4 -16.083 -25.791 5.169 1.00 0.00 ATOM 20 C LYS 4 -15.962 -24.988 6.086 1.00 0.00 ATOM 21 N LYS 5 -15.971 -23.674 5.921 1.00 0.00 ATOM 22 CA LYS 5 -16.078 -23.024 4.624 1.00 0.00 ATOM 23 CB LYS 5 -17.128 -21.911 4.693 1.00 0.00 ATOM 24 CG LYS 5 -17.312 -21.122 3.402 1.00 0.00 ATOM 25 CD LYS 5 -18.051 -19.805 3.628 1.00 0.00 ATOM 26 CE LYS 5 -19.349 -20.009 4.383 1.00 0.00 ATOM 27 NZ LYS 5 -19.854 -18.724 4.981 1.00 0.00 ATOM 28 O LYS 5 -14.169 -21.642 5.124 1.00 0.00 ATOM 29 C LYS 5 -14.688 -22.415 4.347 1.00 0.00 ATOM 30 N VAL 6 -14.067 -22.785 3.250 1.00 0.00 ATOM 31 CA VAL 6 -12.780 -22.221 2.932 1.00 0.00 ATOM 32 CB VAL 6 -11.750 -23.326 2.719 1.00 0.00 ATOM 33 CG1 VAL 6 -12.336 -24.443 1.887 1.00 0.00 ATOM 34 CG2 VAL 6 -10.563 -22.768 2.056 1.00 0.00 ATOM 35 O VAL 6 -13.713 -21.601 0.808 1.00 0.00 ATOM 36 C VAL 6 -12.914 -21.331 1.691 1.00 0.00 ATOM 37 N HIS 7 -12.178 -20.227 1.663 1.00 0.00 ATOM 38 CA HIS 7 -12.185 -19.310 0.528 1.00 0.00 ATOM 39 CB HIS 7 -12.935 -18.031 0.861 1.00 0.00 ATOM 40 CG HIS 7 -12.726 -16.938 -0.142 1.00 0.00 ATOM 41 CD2 HIS 7 -12.389 -15.633 0.013 1.00 0.00 ATOM 42 ND1 HIS 7 -12.855 -17.136 -1.500 1.00 0.00 ATOM 43 CE1 HIS 7 -12.604 -16.005 -2.143 1.00 0.00 ATOM 44 NE2 HIS 7 -12.320 -15.079 -1.246 1.00 0.00 ATOM 45 O HIS 7 -10.057 -18.459 1.159 1.00 0.00 ATOM 46 C HIS 7 -10.718 -19.002 0.297 1.00 0.00 ATOM 47 N GLN 8 -10.204 -19.337 -0.870 1.00 0.00 ATOM 48 CA GLN 8 -8.800 -19.139 -1.115 1.00 0.00 ATOM 49 CB GLN 8 -8.110 -20.484 -0.963 1.00 0.00 ATOM 50 CG GLN 8 -6.679 -20.438 -1.242 1.00 0.00 ATOM 51 CD GLN 8 -6.027 -21.748 -1.071 1.00 0.00 ATOM 52 OE1 GLN 8 -6.409 -22.552 -0.206 1.00 0.00 ATOM 53 NE2 GLN 8 -5.003 -21.989 -1.877 1.00 0.00 ATOM 54 O GLN 8 -9.068 -18.845 -3.457 1.00 0.00 ATOM 55 C GLN 8 -8.438 -18.522 -2.470 1.00 0.00 ATOM 56 N ILE 9 -7.440 -17.627 -2.506 1.00 0.00 ATOM 57 CA ILE 9 -6.972 -17.033 -3.756 1.00 0.00 ATOM 58 CB ILE 9 -7.069 -15.504 -3.725 1.00 0.00 ATOM 59 CG1 ILE 9 -8.510 -15.060 -3.956 1.00 0.00 ATOM 60 CG2 ILE 9 -6.172 -14.896 -4.768 1.00 0.00 ATOM 61 CD1 ILE 9 -9.115 -15.547 -5.229 1.00 0.00 ATOM 62 O ILE 9 -4.663 -17.366 -3.109 1.00 0.00 ATOM 63 C ILE 9 -5.504 -17.432 -4.013 1.00 0.00 ATOM 64 N ASN 10 -5.216 -17.863 -5.240 1.00 0.00 ATOM 65 CA ASN 10 -3.880 -18.276 -5.650 1.00 0.00 ATOM 66 CB ASN 10 -3.867 -19.705 -6.236 1.00 0.00 ATOM 67 CG ASN 10 -4.216 -20.776 -5.205 1.00 0.00 ATOM 68 ND2 ASN 10 -3.374 -21.802 -5.099 1.00 0.00 ATOM 69 OD1 ASN 10 -5.230 -20.689 -4.520 1.00 0.00 ATOM 70 O ASN 10 -4.339 -17.074 -7.598 1.00 0.00 ATOM 71 C ASN 10 -3.527 -17.306 -6.735 1.00 0.00 ATOM 72 N VAL 11 -2.324 -16.749 -6.690 1.00 0.00 ATOM 73 CA VAL 11 -1.873 -15.797 -7.684 1.00 0.00 ATOM 74 CB VAL 11 -2.027 -14.317 -7.176 1.00 0.00 ATOM 75 CG1 VAL 11 -2.180 -13.387 -8.366 1.00 0.00 ATOM 76 CG2 VAL 11 -3.209 -14.196 -6.234 1.00 0.00 ATOM 77 O VAL 11 0.439 -15.976 -7.157 1.00 0.00 ATOM 78 C VAL 11 -0.410 -16.057 -8.004 1.00 0.00 ATOM 79 N LYS 12 -0.117 -16.360 -9.247 1.00 0.00 ATOM 80 CA LYS 12 1.244 -16.650 -9.634 1.00 0.00 ATOM 81 CB LYS 12 1.350 -18.111 -10.096 1.00 0.00 ATOM 82 CG LYS 12 2.738 -18.483 -10.560 1.00 0.00 ATOM 83 CD LYS 12 2.864 -19.973 -10.764 1.00 0.00 ATOM 84 CE LYS 12 4.306 -20.355 -11.028 1.00 0.00 ATOM 85 NZ LYS 12 4.478 -21.830 -11.018 1.00 0.00 ATOM 86 O LYS 12 1.024 -15.673 -11.782 1.00 0.00 ATOM 87 C LYS 12 1.682 -15.734 -10.757 1.00 0.00 ATOM 88 N GLY 13 2.785 -15.023 -10.565 1.00 0.00 ATOM 89 CA GLY 13 3.296 -14.127 -11.590 1.00 0.00 ATOM 90 O GLY 13 4.965 -13.338 -10.061 1.00 0.00 ATOM 91 C GLY 13 4.428 -13.206 -11.143 1.00 0.00 ATOM 92 N PHE 14 4.799 -12.261 -11.989 1.00 0.00 ATOM 93 CA PHE 14 5.856 -11.315 -11.655 1.00 0.00 ATOM 94 CB PHE 14 6.398 -10.701 -12.922 1.00 0.00 ATOM 95 CG PHE 14 7.567 -9.843 -12.699 1.00 0.00 ATOM 96 CD1 PHE 14 8.833 -10.403 -12.565 1.00 0.00 ATOM 97 CD2 PHE 14 7.419 -8.459 -12.590 1.00 0.00 ATOM 98 CE1 PHE 14 9.947 -9.575 -12.321 1.00 0.00 ATOM 99 CE2 PHE 14 8.515 -7.641 -12.350 1.00 0.00 ATOM 100 CZ PHE 14 9.778 -8.197 -12.216 1.00 0.00 ATOM 101 O PHE 14 4.381 -9.485 -11.125 1.00 0.00 ATOM 102 C PHE 14 5.279 -10.226 -10.745 1.00 0.00 ATOM 103 N PHE 15 5.809 -10.140 -9.533 1.00 0.00 ATOM 104 CA PHE 15 5.319 -9.203 -8.531 1.00 0.00 ATOM 105 CB PHE 15 5.429 -9.838 -7.157 1.00 0.00 ATOM 106 CG PHE 15 4.911 -8.979 -6.055 1.00 0.00 ATOM 107 CD1 PHE 15 3.641 -8.433 -6.128 1.00 0.00 ATOM 108 CD2 PHE 15 5.655 -8.778 -4.896 1.00 0.00 ATOM 109 CE1 PHE 15 3.110 -7.702 -5.059 1.00 0.00 ATOM 110 CE2 PHE 15 5.124 -8.050 -3.826 1.00 0.00 ATOM 111 CZ PHE 15 3.844 -7.516 -3.915 1.00 0.00 ATOM 112 O PHE 15 7.161 -7.690 -8.326 1.00 0.00 ATOM 113 C PHE 15 5.957 -7.831 -8.478 1.00 0.00 ATOM 114 N ASP 16 5.112 -6.813 -8.592 1.00 0.00 ATOM 115 CA ASP 16 5.532 -5.421 -8.537 1.00 0.00 ATOM 116 CB ASP 16 5.293 -4.734 -9.874 1.00 0.00 ATOM 117 CG ASP 16 5.963 -3.374 -9.951 1.00 0.00 ATOM 118 OD1 ASP 16 5.512 -2.431 -9.255 1.00 0.00 ATOM 119 OD2 ASP 16 6.953 -3.256 -10.699 1.00 0.00 ATOM 120 O ASP 16 3.520 -4.435 -7.640 1.00 0.00 ATOM 121 C ASP 16 4.699 -4.760 -7.444 1.00 0.00 ATOM 122 N MET 17 5.336 -4.580 -6.290 1.00 0.00 ATOM 123 CA MET 17 4.696 -4.023 -5.118 1.00 0.00 ATOM 124 CB MET 17 5.492 -4.400 -3.880 1.00 0.00 ATOM 125 CG MET 17 4.823 -3.986 -2.590 1.00 0.00 ATOM 126 SD MET 17 5.999 -4.222 -1.109 1.00 0.00 ATOM 127 CE MET 17 7.591 -3.292 -1.817 1.00 0.00 ATOM 128 O MET 17 3.792 -1.970 -4.344 1.00 0.00 ATOM 129 C MET 17 4.522 -2.529 -5.160 1.00 0.00 ATOM 130 N ASP 18 5.193 -1.888 -6.113 1.00 0.00 ATOM 131 CA ASP 18 5.126 -0.429 -6.264 1.00 0.00 ATOM 132 CB ASP 18 6.212 0.041 -7.235 1.00 0.00 ATOM 133 CG ASP 18 7.536 -0.683 -7.017 1.00 0.00 ATOM 134 OD1 ASP 18 8.075 -0.611 -5.891 1.00 0.00 ATOM 135 OD2 ASP 18 8.036 -1.339 -7.967 1.00 0.00 ATOM 136 O ASP 18 3.068 0.813 -6.248 1.00 0.00 ATOM 137 C ASP 18 3.739 -0.070 -6.785 1.00 0.00 ATOM 138 N VAL 19 3.305 -0.788 -7.820 1.00 0.00 ATOM 139 CA VAL 19 1.989 -0.579 -8.408 1.00 0.00 ATOM 140 CB VAL 19 2.020 -0.785 -9.918 1.00 0.00 ATOM 141 CG1 VAL 19 0.819 -0.097 -10.557 1.00 0.00 ATOM 142 CG2 VAL 19 3.319 -0.254 -10.484 1.00 0.00 ATOM 143 O VAL 19 -0.134 -1.651 -8.111 1.00 0.00 ATOM 144 C VAL 19 1.054 -1.616 -7.806 1.00 0.00 ATOM 145 N MET 20 1.614 -2.466 -6.948 1.00 0.00 ATOM 146 CA MET 20 0.870 -3.530 -6.291 1.00 0.00 ATOM 147 CB MET 20 -0.095 -2.939 -5.268 1.00 0.00 ATOM 148 CG MET 20 0.521 -2.747 -3.886 1.00 0.00 ATOM 149 SD MET 20 0.824 -4.409 -2.870 1.00 0.00 ATOM 150 CE MET 20 -0.857 -4.532 -1.934 1.00 0.00 ATOM 151 O MET 20 -1.088 -4.676 -7.114 1.00 0.00 ATOM 152 C MET 20 0.114 -4.444 -7.260 1.00 0.00 ATOM 153 N GLU 21 0.841 -4.977 -8.239 1.00 0.00 ATOM 154 CA GLU 21 0.258 -5.871 -9.232 1.00 0.00 ATOM 155 CB GLU 21 0.051 -5.129 -10.549 1.00 0.00 ATOM 156 CG GLU 21 -0.710 -3.822 -10.413 1.00 0.00 ATOM 157 CD GLU 21 -0.942 -3.139 -11.749 1.00 0.00 ATOM 158 OE1 GLU 21 0.022 -3.032 -12.546 1.00 0.00 ATOM 159 OE2 GLU 21 -2.090 -2.701 -11.995 1.00 0.00 ATOM 160 O GLU 21 2.315 -7.129 -9.486 1.00 0.00 ATOM 161 C GLU 21 1.092 -7.133 -9.514 1.00 0.00 ATOM 162 N VAL 22 0.406 -8.229 -9.774 1.00 0.00 ATOM 163 CA VAL 22 1.072 -9.475 -10.113 1.00 0.00 ATOM 164 CB VAL 22 0.626 -10.663 -9.207 1.00 0.00 ATOM 165 CG1 VAL 22 1.412 -11.910 -9.573 1.00 0.00 ATOM 166 CG2 VAL 22 0.807 -10.301 -7.738 1.00 0.00 ATOM 167 O VAL 22 -0.527 -9.734 -11.906 1.00 0.00 ATOM 168 C VAL 22 0.661 -9.786 -11.549 1.00 0.00 ATOM 169 N THR 23 1.648 -10.121 -12.366 1.00 0.00 ATOM 170 CA THR 23 1.377 -10.426 -13.747 1.00 0.00 ATOM 171 CB THR 23 1.723 -9.191 -14.623 1.00 0.00 ATOM 172 CG2 THR 23 3.071 -8.635 -14.258 1.00 0.00 ATOM 173 OG1 THR 23 1.698 -9.547 -16.010 1.00 0.00 ATOM 174 O THR 23 3.309 -11.763 -14.258 1.00 0.00 ATOM 175 C THR 23 2.083 -11.691 -14.261 1.00 0.00 ATOM 176 N GLU 24 1.299 -12.689 -14.690 1.00 0.00 ATOM 177 CA GLU 24 1.867 -13.926 -15.218 1.00 0.00 ATOM 178 CB GLU 24 1.172 -15.184 -14.643 1.00 0.00 ATOM 179 CG GLU 24 -0.316 -15.333 -14.942 1.00 0.00 ATOM 180 CD GLU 24 -0.916 -16.647 -14.424 1.00 0.00 ATOM 181 OE1 GLU 24 -2.141 -16.730 -14.221 1.00 0.00 ATOM 182 OE2 GLU 24 -0.178 -17.614 -14.226 1.00 0.00 ATOM 183 O GLU 24 0.892 -13.565 -17.372 1.00 0.00 ATOM 184 C GLU 24 1.834 -13.998 -16.734 1.00 0.00 ATOM 185 N GLN 25 2.890 -14.579 -17.285 1.00 0.00 ATOM 186 CA GLN 25 3.061 -14.758 -18.716 1.00 0.00 ATOM 187 CB GLN 25 4.539 -14.525 -19.054 1.00 0.00 ATOM 188 CG GLN 25 4.939 -14.708 -20.507 1.00 0.00 ATOM 189 CD GLN 25 4.362 -13.636 -21.427 1.00 0.00 ATOM 190 OE1 GLN 25 4.401 -12.449 -21.110 1.00 0.00 ATOM 191 NE2 GLN 25 3.834 -14.054 -22.578 1.00 0.00 ATOM 192 O GLN 25 3.429 -17.094 -19.059 1.00 0.00 ATOM 193 C GLN 25 2.633 -16.173 -19.143 1.00 0.00 ATOM 194 N THR 26 1.381 -16.349 -19.580 1.00 0.00 ATOM 195 CA THR 26 0.892 -17.663 -20.034 1.00 0.00 ATOM 196 CB THR 26 -0.660 -17.743 -20.165 1.00 0.00 ATOM 197 CG2 THR 26 -1.083 -19.118 -20.659 1.00 0.00 ATOM 198 OG1 THR 26 -1.286 -17.537 -18.898 1.00 0.00 ATOM 199 O THR 26 2.101 -17.082 -22.023 1.00 0.00 ATOM 200 C THR 26 1.435 -17.933 -21.426 1.00 0.00 ATOM 201 N LYS 27 1.129 -19.122 -21.935 1.00 0.00 ATOM 202 CA LYS 27 1.543 -19.566 -23.267 1.00 0.00 ATOM 203 CB LYS 27 1.375 -21.090 -23.372 1.00 0.00 ATOM 204 CG LYS 27 1.990 -21.752 -24.621 1.00 0.00 ATOM 205 CD LYS 27 1.948 -23.293 -24.514 1.00 0.00 ATOM 206 CE LYS 27 2.488 -23.771 -23.155 1.00 0.00 ATOM 207 NZ LYS 27 3.840 -23.219 -22.839 1.00 0.00 ATOM 208 O LYS 27 0.867 -19.169 -25.557 1.00 0.00 ATOM 209 C LYS 27 0.710 -18.880 -24.364 1.00 0.00 ATOM 210 N GLU 28 -0.171 -17.972 -23.946 1.00 0.00 ATOM 211 CA GLU 28 -1.041 -17.245 -24.862 1.00 0.00 ATOM 212 CB GLU 28 -2.500 -17.663 -24.640 1.00 0.00 ATOM 213 CG GLU 28 -2.688 -18.747 -23.558 1.00 0.00 ATOM 214 CD GLU 28 -4.145 -19.191 -23.403 1.00 0.00 ATOM 215 OE1 GLU 28 -4.782 -19.487 -24.445 1.00 0.00 ATOM 216 OE2 GLU 28 -4.648 -19.253 -22.247 1.00 0.00 ATOM 217 O GLU 28 -0.294 -15.023 -25.445 1.00 0.00 ATOM 218 C GLU 28 -0.901 -15.747 -24.634 1.00 0.00 ATOM 219 N ALA 29 -1.447 -15.290 -23.512 1.00 0.00 ATOM 220 CA ALA 29 -1.410 -13.875 -23.179 1.00 0.00 ATOM 221 CB ALA 29 -2.831 -13.388 -22.925 1.00 0.00 ATOM 222 O ALA 29 0.229 -14.358 -21.472 1.00 0.00 ATOM 223 C ALA 29 -0.527 -13.530 -21.980 1.00 0.00 ATOM 224 N GLU 30 -0.641 -12.274 -21.561 1.00 0.00 ATOM 225 CA GLU 30 0.064 -11.729 -20.412 1.00 0.00 ATOM 226 CB GLU 30 1.114 -10.712 -20.845 1.00 0.00 ATOM 227 CG GLU 30 2.068 -10.315 -19.739 1.00 0.00 ATOM 228 CD GLU 30 2.705 -8.948 -19.943 1.00 0.00 ATOM 229 OE1 GLU 30 1.995 -7.921 -19.775 1.00 0.00 ATOM 230 OE2 GLU 30 3.907 -8.900 -20.271 1.00 0.00 ATOM 231 O GLU 30 -1.301 -9.874 -19.724 1.00 0.00 ATOM 232 C GLU 30 -0.984 -11.046 -19.532 1.00 0.00 ATOM 233 N TYR 31 -1.516 -11.806 -18.575 1.00 0.00 ATOM 234 CA TYR 31 -2.536 -11.348 -17.634 1.00 0.00 ATOM 235 CB TYR 31 -3.289 -12.552 -17.077 1.00 0.00 ATOM 236 CG TYR 31 -3.901 -13.413 -18.154 1.00 0.00 ATOM 237 CD1 TYR 31 -5.137 -13.101 -18.730 1.00 0.00 ATOM 238 CD2 TYR 31 -3.209 -14.507 -18.653 1.00 0.00 ATOM 239 CE1 TYR 31 -5.661 -13.857 -19.787 1.00 0.00 ATOM 240 CE2 TYR 31 -3.724 -15.273 -19.705 1.00 0.00 ATOM 241 CZ TYR 31 -4.947 -14.942 -20.267 1.00 0.00 ATOM 242 OH TYR 31 -5.424 -15.713 -21.300 1.00 0.00 ATOM 243 O TYR 31 -0.880 -10.782 -16.004 1.00 0.00 ATOM 244 C TYR 31 -1.971 -10.528 -16.475 1.00 0.00 ATOM 245 N THR 32 -2.725 -9.534 -16.026 1.00 0.00 ATOM 246 CA THR 32 -2.291 -8.682 -14.937 1.00 0.00 ATOM 247 CB THR 32 -1.977 -7.284 -15.419 1.00 0.00 ATOM 248 CG2 THR 32 -1.747 -6.354 -14.250 1.00 0.00 ATOM 249 OG1 THR 32 -0.819 -7.326 -16.252 1.00 0.00 ATOM 250 O THR 32 -4.512 -8.225 -14.231 1.00 0.00 ATOM 251 C THR 32 -3.392 -8.594 -13.916 1.00 0.00 ATOM 252 N TYR 33 -3.067 -8.955 -12.686 1.00 0.00 ATOM 253 CA TYR 33 -4.038 -8.941 -11.609 1.00 0.00 ATOM 254 CB TYR 33 -4.062 -10.319 -10.909 1.00 0.00 ATOM 255 CG TYR 33 -4.207 -11.514 -11.836 1.00 0.00 ATOM 256 CD1 TYR 33 -5.453 -11.905 -12.325 1.00 0.00 ATOM 257 CD2 TYR 33 -3.093 -12.228 -12.249 1.00 0.00 ATOM 258 CE1 TYR 33 -5.578 -12.975 -13.201 1.00 0.00 ATOM 259 CE2 TYR 33 -3.207 -13.292 -13.117 1.00 0.00 ATOM 260 CZ TYR 33 -4.449 -13.668 -13.585 1.00 0.00 ATOM 261 OH TYR 33 -4.556 -14.788 -14.389 1.00 0.00 ATOM 262 O TYR 33 -2.369 -7.671 -10.465 1.00 0.00 ATOM 263 C TYR 33 -3.567 -7.875 -10.631 1.00 0.00 ATOM 264 N ASP 34 -4.489 -7.171 -9.994 1.00 0.00 ATOM 265 CA ASP 34 -4.036 -6.181 -9.043 1.00 0.00 ATOM 266 CB ASP 34 -4.791 -4.855 -9.165 1.00 0.00 ATOM 267 CG ASP 34 -6.226 -4.971 -8.779 1.00 0.00 ATOM 268 OD1 ASP 34 -6.604 -4.285 -7.807 1.00 0.00 ATOM 269 OD2 ASP 34 -6.967 -5.740 -9.449 1.00 0.00 ATOM 270 O ASP 34 -5.318 -7.002 -7.176 1.00 0.00 ATOM 271 C ASP 34 -4.204 -6.773 -7.666 1.00 0.00 ATOM 272 N PHE 35 -3.047 -7.031 -7.070 1.00 0.00 ATOM 273 CA PHE 35 -2.935 -7.627 -5.761 1.00 0.00 ATOM 274 CB PHE 35 -1.460 -7.755 -5.425 1.00 0.00 ATOM 275 CG PHE 35 -1.181 -8.745 -4.377 1.00 0.00 ATOM 276 CD1 PHE 35 -1.810 -9.978 -4.401 1.00 0.00 ATOM 277 CD2 PHE 35 -0.278 -8.462 -3.361 1.00 0.00 ATOM 278 CE1 PHE 35 -1.552 -10.911 -3.432 1.00 0.00 ATOM 279 CE2 PHE 35 -0.010 -9.397 -2.380 1.00 0.00 ATOM 280 CZ PHE 35 -0.649 -10.629 -2.417 1.00 0.00 ATOM 281 O PHE 35 -4.158 -7.392 -3.718 1.00 0.00 ATOM 282 C PHE 35 -3.676 -6.823 -4.707 1.00 0.00 ATOM 283 N LYS 36 -3.779 -5.511 -4.936 1.00 0.00 ATOM 284 CA LYS 36 -4.475 -4.610 -4.020 1.00 0.00 ATOM 285 CB LYS 36 -4.354 -3.162 -4.536 1.00 0.00 ATOM 286 CG LYS 36 -4.662 -2.063 -3.498 1.00 0.00 ATOM 287 CD LYS 36 -4.556 -0.638 -4.120 1.00 0.00 ATOM 288 CE LYS 36 -4.291 0.507 -3.067 1.00 0.00 ATOM 289 NZ LYS 36 -5.289 0.608 -1.945 1.00 0.00 ATOM 290 O LYS 36 -6.449 -5.277 -2.784 1.00 0.00 ATOM 291 C LYS 36 -5.955 -5.017 -3.881 1.00 0.00 ATOM 292 N GLU 37 -6.653 -5.084 -5.003 1.00 0.00 ATOM 293 CA GLU 37 -8.058 -5.465 -4.987 1.00 0.00 ATOM 294 CB GLU 37 -8.633 -5.472 -6.401 1.00 0.00 ATOM 295 CG GLU 37 -10.013 -4.890 -6.475 1.00 0.00 ATOM 296 CD GLU 37 -10.101 -3.536 -5.779 1.00 0.00 ATOM 297 OE1 GLU 37 -10.665 -3.482 -4.657 1.00 0.00 ATOM 298 OE2 GLU 37 -9.589 -2.533 -6.347 1.00 0.00 ATOM 299 O GLU 37 -9.085 -7.055 -3.529 1.00 0.00 ATOM 300 C GLU 37 -8.224 -6.845 -4.381 1.00 0.00 ATOM 301 N ILE 38 -7.412 -7.792 -4.843 1.00 0.00 ATOM 302 CA ILE 38 -7.450 -9.156 -4.319 1.00 0.00 ATOM 303 CB ILE 38 -6.332 -10.018 -4.964 1.00 0.00 ATOM 304 CG1 ILE 38 -6.608 -10.210 -6.464 1.00 0.00 ATOM 305 CG2 ILE 38 -6.235 -11.356 -4.246 1.00 0.00 ATOM 306 CD1 ILE 38 -5.480 -10.825 -7.207 1.00 0.00 ATOM 307 O ILE 38 -8.086 -9.716 -2.031 1.00 0.00 ATOM 308 C ILE 38 -7.262 -9.165 -2.787 1.00 0.00 ATOM 309 N LEU 39 -6.176 -8.532 -2.342 1.00 0.00 ATOM 310 CA LEU 39 -5.857 -8.453 -0.930 1.00 0.00 ATOM 311 CB LEU 39 -4.581 -7.651 -0.744 1.00 0.00 ATOM 312 CG LEU 39 -3.438 -8.274 0.046 1.00 0.00 ATOM 313 CD1 LEU 39 -3.182 -9.689 -0.445 1.00 0.00 ATOM 314 CD2 LEU 39 -2.211 -7.407 -0.120 1.00 0.00 ATOM 315 O LEU 39 -7.193 -8.277 0.991 1.00 0.00 ATOM 316 C LEU 39 -6.960 -7.853 -0.111 1.00 0.00 ATOM 317 N SER 40 -7.647 -6.859 -0.649 1.00 0.00 ATOM 318 CA SER 40 -8.716 -6.204 0.094 1.00 0.00 ATOM 319 CB SER 40 -9.201 -4.979 -0.653 1.00 0.00 ATOM 320 OG SER 40 -9.866 -5.362 -1.823 1.00 0.00 ATOM 321 O SER 40 -10.613 -6.854 1.358 1.00 0.00 ATOM 322 C SER 40 -9.904 -7.086 0.396 1.00 0.00 ATOM 323 N GLU 41 -10.128 -8.093 -0.432 1.00 0.00 ATOM 324 CA GLU 41 -11.249 -8.989 -0.244 1.00 0.00 ATOM 325 CB GLU 41 -11.268 -9.976 -1.411 1.00 0.00 ATOM 326 CG GLU 41 -12.513 -10.858 -1.571 1.00 0.00 ATOM 327 CD GLU 41 -12.474 -11.688 -2.862 1.00 0.00 ATOM 328 OE1 GLU 41 -13.275 -12.647 -2.990 1.00 0.00 ATOM 329 OE2 GLU 41 -11.642 -11.381 -3.753 1.00 0.00 ATOM 330 O GLU 41 -12.007 -10.299 1.643 1.00 0.00 ATOM 331 C GLU 41 -11.076 -9.712 1.089 1.00 0.00 ATOM 332 N PHE 42 -9.867 -9.651 1.622 1.00 0.00 ATOM 333 CA PHE 42 -9.567 -10.337 2.875 1.00 0.00 ATOM 334 CB PHE 42 -8.367 -11.281 2.688 1.00 0.00 ATOM 335 CG PHE 42 -8.610 -12.402 1.708 1.00 0.00 ATOM 336 CD1 PHE 42 -8.105 -12.340 0.412 1.00 0.00 ATOM 337 CD2 PHE 42 -9.317 -13.535 2.095 1.00 0.00 ATOM 338 CE1 PHE 42 -8.291 -13.384 -0.474 1.00 0.00 ATOM 339 CE2 PHE 42 -9.512 -14.591 1.210 1.00 0.00 ATOM 340 CZ PHE 42 -8.995 -14.514 -0.077 1.00 0.00 ATOM 341 O PHE 42 -9.173 -9.877 5.206 1.00 0.00 ATOM 342 C PHE 42 -9.307 -9.413 4.070 1.00 0.00 ATOM 343 N ASN 43 -9.250 -8.112 3.826 1.00 0.00 ATOM 344 CA ASN 43 -9.016 -7.174 4.909 1.00 0.00 ATOM 345 CB ASN 43 -8.992 -5.747 4.382 1.00 0.00 ATOM 346 CG ASN 43 -8.623 -4.742 5.455 1.00 0.00 ATOM 347 ND2 ASN 43 -9.496 -3.770 5.687 1.00 0.00 ATOM 348 OD1 ASN 43 -7.560 -4.839 6.065 1.00 0.00 ATOM 349 O ASN 43 -11.230 -7.079 5.788 1.00 0.00 ATOM 350 C ASN 43 -10.050 -7.272 6.018 1.00 0.00 ATOM 351 N GLY 44 -9.591 -7.572 7.225 1.00 0.00 ATOM 352 CA GLY 44 -10.490 -7.679 8.353 1.00 0.00 ATOM 353 O GLY 44 -11.724 -9.289 9.595 1.00 0.00 ATOM 354 C GLY 44 -10.786 -9.083 8.831 1.00 0.00 ATOM 355 N LYS 45 -9.987 -10.045 8.382 1.00 0.00 ATOM 356 CA LYS 45 -10.247 -11.452 8.665 1.00 0.00 ATOM 357 CB LYS 45 -10.896 -12.131 7.457 1.00 0.00 ATOM 358 CG LYS 45 -11.099 -11.212 6.264 1.00 0.00 ATOM 359 CD LYS 45 -12.325 -11.613 5.460 1.00 0.00 ATOM 360 CE LYS 45 -13.608 -11.246 6.190 1.00 0.00 ATOM 361 NZ LYS 45 -14.818 -11.603 5.399 1.00 0.00 ATOM 362 O LYS 45 -7.888 -11.880 8.538 1.00 0.00 ATOM 363 C LYS 45 -8.965 -12.182 9.051 1.00 0.00 ATOM 364 N ASN 46 -9.090 -13.145 9.960 1.00 0.00 ATOM 365 CA ASN 46 -8.143 -14.251 10.038 1.00 0.00 ATOM 366 CB ASN 46 -8.657 -15.329 10.995 1.00 0.00 ATOM 367 CG ASN 46 -8.919 -14.793 12.388 1.00 0.00 ATOM 368 ND2 ASN 46 -10.056 -15.170 12.963 1.00 0.00 ATOM 369 OD1 ASN 46 -8.110 -14.049 12.943 1.00 0.00 ATOM 370 O ASN 46 -8.764 -15.319 7.979 1.00 0.00 ATOM 371 C ASN 46 -7.854 -14.860 8.669 1.00 0.00 ATOM 372 N VAL 47 -6.582 -14.859 8.284 1.00 0.00 ATOM 373 CA VAL 47 -6.166 -15.444 7.015 1.00 0.00 ATOM 374 CB VAL 47 -5.871 -14.359 5.963 1.00 0.00 ATOM 375 CG1 VAL 47 -7.059 -13.420 5.819 1.00 0.00 ATOM 376 CG2 VAL 47 -4.614 -13.586 6.333 1.00 0.00 ATOM 377 O VAL 47 -4.290 -16.303 8.243 1.00 0.00 ATOM 378 C VAL 47 -4.928 -16.318 7.191 1.00 0.00 ATOM 379 N SER 48 -4.596 -17.079 6.153 1.00 0.00 ATOM 380 CA SER 48 -3.242 -17.594 5.984 1.00 0.00 ATOM 381 CB SER 48 -3.233 -19.121 6.085 1.00 0.00 ATOM 382 OG SER 48 -4.153 -19.572 7.064 1.00 0.00 ATOM 383 O SER 48 -3.231 -17.391 3.591 1.00 0.00 ATOM 384 C SER 48 -2.648 -17.154 4.650 1.00 0.00 ATOM 385 N ILE 49 -1.486 -16.512 4.708 1.00 0.00 ATOM 386 CA ILE 49 -0.843 -15.980 3.512 1.00 0.00 ATOM 387 CB ILE 49 -0.591 -14.468 3.663 1.00 0.00 ATOM 388 CG1 ILE 49 -1.872 -13.754 4.096 1.00 0.00 ATOM 389 CG2 ILE 49 -0.063 -13.885 2.361 1.00 0.00 ATOM 390 CD1 ILE 49 -1.814 -12.250 3.943 1.00 0.00 ATOM 391 O ILE 49 1.321 -16.837 4.099 1.00 0.00 ATOM 392 C ILE 49 0.467 -16.704 3.222 1.00 0.00 ATOM 393 N THR 50 0.619 -17.171 1.987 1.00 0.00 ATOM 394 CA THR 50 1.848 -17.830 1.563 1.00 0.00 ATOM 395 CB THR 50 1.587 -19.320 1.270 1.00 0.00 ATOM 396 CG2 THR 50 2.553 -19.831 0.212 1.00 0.00 ATOM 397 OG1 THR 50 1.919 -20.102 2.425 1.00 0.00 ATOM 398 O THR 50 1.764 -16.969 -0.676 1.00 0.00 ATOM 399 C THR 50 2.443 -17.151 0.334 1.00 0.00 ATOM 400 N VAL 51 3.715 -16.777 0.429 1.00 0.00 ATOM 401 CA VAL 51 4.404 -16.121 -0.674 1.00 0.00 ATOM 402 CB VAL 51 4.746 -14.667 -0.313 1.00 0.00 ATOM 403 CG1 VAL 51 5.421 -14.011 -1.462 1.00 0.00 ATOM 404 CG2 VAL 51 3.463 -13.913 0.055 1.00 0.00 ATOM 405 O VAL 51 6.532 -17.114 -0.068 1.00 0.00 ATOM 406 C VAL 51 5.656 -16.954 -0.927 1.00 0.00 ATOM 407 N LYS 52 5.725 -17.508 -2.116 1.00 0.00 ATOM 408 CA LYS 52 6.812 -18.405 -2.467 1.00 0.00 ATOM 409 CB LYS 52 6.230 -19.818 -2.801 1.00 0.00 ATOM 410 CG LYS 52 7.230 -20.930 -3.054 1.00 0.00 ATOM 411 CD LYS 52 6.831 -21.816 -4.202 1.00 0.00 ATOM 412 CE LYS 52 5.653 -22.699 -3.884 1.00 0.00 ATOM 413 NZ LYS 52 5.126 -23.421 -5.098 1.00 0.00 ATOM 414 O LYS 52 6.829 -17.173 -4.489 1.00 0.00 ATOM 415 C LYS 52 7.483 -17.808 -3.670 1.00 0.00 ATOM 416 N GLU 53 8.790 -18.001 -3.744 1.00 0.00 ATOM 417 CA GLU 53 9.601 -17.526 -4.836 1.00 0.00 ATOM 418 CB GLU 53 10.340 -16.269 -4.449 1.00 0.00 ATOM 419 CG GLU 53 11.361 -15.877 -5.509 1.00 0.00 ATOM 420 CD GLU 53 12.469 -14.966 -4.989 1.00 0.00 ATOM 421 OE1 GLU 53 13.327 -14.559 -5.807 1.00 0.00 ATOM 422 OE2 GLU 53 12.493 -14.664 -3.766 1.00 0.00 ATOM 423 O GLU 53 11.420 -18.882 -4.218 1.00 0.00 ATOM 424 C GLU 53 10.616 -18.612 -5.083 1.00 0.00 ATOM 425 N GLU 54 10.593 -19.255 -6.241 1.00 0.00 ATOM 426 CA GLU 54 11.571 -20.293 -6.504 1.00 0.00 ATOM 427 CB GLU 54 10.853 -21.636 -6.665 1.00 0.00 ATOM 428 CG GLU 54 9.638 -21.634 -7.558 1.00 0.00 ATOM 429 CD GLU 54 9.107 -23.036 -7.841 1.00 0.00 ATOM 430 OE1 GLU 54 8.483 -23.626 -6.927 1.00 0.00 ATOM 431 OE2 GLU 54 9.337 -23.538 -8.980 1.00 0.00 ATOM 432 O GLU 54 12.022 -19.563 -8.737 1.00 0.00 ATOM 433 C GLU 54 12.483 -19.973 -7.701 1.00 0.00 ATOM 434 N ASN 55 13.785 -20.141 -7.548 1.00 0.00 ATOM 435 CA ASN 55 14.715 -19.845 -8.622 1.00 0.00 ATOM 436 CB ASN 55 15.683 -18.782 -8.168 1.00 0.00 ATOM 437 CG ASN 55 14.992 -17.667 -7.412 1.00 0.00 ATOM 438 ND2 ASN 55 15.266 -17.562 -6.107 1.00 0.00 ATOM 439 OD1 ASN 55 14.205 -16.915 -7.990 1.00 0.00 ATOM 440 O ASN 55 15.216 -22.163 -8.495 1.00 0.00 ATOM 441 C ASN 55 15.488 -21.082 -8.999 1.00 0.00 ATOM 442 N GLU 56 16.471 -20.918 -9.878 1.00 0.00 ATOM 443 CA GLU 56 17.293 -22.034 -10.354 1.00 0.00 ATOM 444 CB GLU 56 17.721 -21.785 -11.782 1.00 0.00 ATOM 445 CG GLU 56 16.609 -21.774 -12.778 1.00 0.00 ATOM 446 CD GLU 56 16.179 -23.172 -13.126 1.00 0.00 ATOM 447 OE1 GLU 56 15.420 -23.354 -14.120 1.00 0.00 ATOM 448 OE2 GLU 56 16.621 -24.096 -12.393 1.00 0.00 ATOM 449 O GLU 56 18.959 -21.244 -8.821 1.00 0.00 ATOM 450 C GLU 56 18.540 -22.182 -9.505 1.00 0.00 ATOM 451 N LEU 57 19.146 -23.357 -9.553 1.00 0.00 ATOM 452 CA LEU 57 20.340 -23.588 -8.765 1.00 0.00 ATOM 453 CB LEU 57 20.480 -25.067 -8.388 1.00 0.00 ATOM 454 CG LEU 57 19.690 -25.634 -7.227 1.00 0.00 ATOM 455 CD1 LEU 57 20.178 -27.046 -6.932 1.00 0.00 ATOM 456 CD2 LEU 57 19.873 -24.740 -6.029 1.00 0.00 ATOM 457 O LEU 57 21.756 -23.585 -10.686 1.00 0.00 ATOM 458 C LEU 57 21.584 -23.191 -9.528 1.00 0.00 ATOM 459 N PRO 58 22.483 -22.415 -8.884 1.00 0.00 ATOM 460 CA PRO 58 23.725 -21.997 -9.535 1.00 0.00 ATOM 461 CB PRO 58 24.407 -21.166 -8.447 1.00 0.00 ATOM 462 CG PRO 58 23.941 -21.802 -7.193 1.00 0.00 ATOM 463 CD PRO 58 22.469 -21.974 -7.476 1.00 0.00 ATOM 464 O PRO 58 24.862 -24.092 -9.079 1.00 0.00 ATOM 465 C PRO 58 24.521 -23.263 -9.930 1.00 0.00 ATOM 466 N VAL 59 24.776 -23.419 -11.225 1.00 0.00 ATOM 467 CA VAL 59 25.515 -24.567 -11.737 1.00 0.00 ATOM 468 CB VAL 59 25.219 -24.790 -13.216 1.00 0.00 ATOM 469 CG1 VAL 59 23.882 -25.465 -13.386 1.00 0.00 ATOM 470 CG2 VAL 59 25.217 -23.444 -13.935 1.00 0.00 ATOM 471 O VAL 59 27.495 -23.336 -11.109 1.00 0.00 ATOM 472 C VAL 59 27.020 -24.354 -11.621 1.00 0.00 ATOM 473 N LYS 60 27.775 -25.333 -12.085 1.00 0.00 ATOM 474 CA LYS 60 29.209 -25.201 -12.070 1.00 0.00 ATOM 475 CB LYS 60 29.807 -25.855 -10.821 1.00 0.00 ATOM 476 CG LYS 60 29.847 -27.370 -10.861 1.00 0.00 ATOM 477 CD LYS 60 30.637 -27.931 -9.685 1.00 0.00 ATOM 478 CE LYS 60 32.102 -27.510 -9.728 1.00 0.00 ATOM 479 NZ LYS 60 32.877 -28.133 -8.630 1.00 0.00 ATOM 480 O LYS 60 30.899 -25.862 -13.640 1.00 0.00 ATOM 481 C LYS 60 29.703 -25.879 -13.344 1.00 0.00 ATOM 482 N GLY 61 28.766 -26.458 -14.100 1.00 0.00 ATOM 483 CA GLY 61 29.118 -27.138 -15.335 1.00 0.00 ATOM 484 O GLY 61 27.366 -28.545 -16.243 1.00 0.00 ATOM 485 C GLY 61 27.969 -27.459 -16.287 1.00 0.00 ATOM 486 N VAL 62 27.654 -26.510 -17.162 1.00 0.00 ATOM 487 CA VAL 62 26.587 -26.717 -18.135 1.00 0.00 ATOM 488 CB VAL 62 26.017 -25.372 -18.691 1.00 0.00 ATOM 489 CG1 VAL 62 24.811 -25.658 -19.574 1.00 0.00 ATOM 490 CG2 VAL 62 25.629 -24.427 -17.556 1.00 0.00 ATOM 491 O VAL 62 28.436 -27.286 -19.551 1.00 0.00 ATOM 492 C VAL 62 27.243 -27.481 -19.283 1.00 0.00 ATOM 493 N GLU 63 26.474 -28.346 -19.948 1.00 0.00 ATOM 494 CA GLU 63 26.980 -29.152 -21.070 1.00 0.00 ATOM 495 CB GLU 63 27.887 -30.283 -20.588 1.00 0.00 ATOM 496 CG GLU 63 29.274 -29.902 -20.139 1.00 0.00 ATOM 497 CD GLU 63 30.087 -31.135 -19.886 1.00 0.00 ATOM 498 OE1 GLU 63 31.250 -31.001 -19.446 1.00 0.00 ATOM 499 OE2 GLU 63 29.542 -32.240 -20.139 1.00 0.00 ATOM 500 O GLU 63 24.691 -29.772 -21.474 1.00 0.00 ATOM 501 C GLU 63 25.864 -29.810 -21.863 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 T0309.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.645 # GDT_score = -20.161 # GDT_score(maxd=8.000,maxw=2.900)= -18.941 # GDT_score(maxd=8.000,maxw=3.200)= -18.375 # GDT_score(maxd=8.000,maxw=3.500)= -17.788 # GDT_score(maxd=10.000,maxw=3.800)= -19.381 # GDT_score(maxd=10.000,maxw=4.000)= -18.977 # GDT_score(maxd=10.000,maxw=4.200)= -18.611 # GDT_score(maxd=12.000,maxw=4.300)= -20.505 # GDT_score(maxd=12.000,maxw=4.500)= -20.096 # GDT_score(maxd=12.000,maxw=4.700)= -19.721 # GDT_score(maxd=14.000,maxw=5.200)= -20.604 # GDT_score(maxd=14.000,maxw=5.500)= -20.016 # command:# ReadConformPDB reading from PDB file T0309.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.290 # GDT_score = -20.161 # GDT_score(maxd=8.000,maxw=2.900)= -20.173 # GDT_score(maxd=8.000,maxw=3.200)= -19.492 # GDT_score(maxd=8.000,maxw=3.500)= -18.822 # GDT_score(maxd=10.000,maxw=3.800)= -19.731 # GDT_score(maxd=10.000,maxw=4.000)= -19.309 # GDT_score(maxd=10.000,maxw=4.200)= -18.875 # GDT_score(maxd=12.000,maxw=4.300)= -19.835 # GDT_score(maxd=12.000,maxw=4.500)= -19.393 # GDT_score(maxd=12.000,maxw=4.700)= -18.980 # GDT_score(maxd=14.000,maxw=5.200)= -18.847 # GDT_score(maxd=14.000,maxw=5.500)= -18.259 # command:# ReadConformPDB reading from PDB file T0309.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0309.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0309.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0309 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 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try9-opt1.gromacs0.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try9-opt1.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0309.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera1.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera4.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1633729279.pdb -s /var/tmp/to_scwrl_1633729279.seq -o /var/tmp/from_scwrl_1633729279.pdb > /var/tmp/scwrl_1633729279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633729279.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 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_944550346.pdb -s /var/tmp/to_scwrl_944550346.seq -o /var/tmp/from_scwrl_944550346.pdb > /var/tmp/scwrl_944550346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_944550346.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 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1932217832.pdb -s /var/tmp/to_scwrl_1932217832.seq -o /var/tmp/from_scwrl_1932217832.pdb > /var/tmp/scwrl_1932217832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932217832.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1650719853.pdb -s /var/tmp/to_scwrl_1650719853.seq -o /var/tmp/from_scwrl_1650719853.pdb > /var/tmp/scwrl_1650719853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650719853.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 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_253441664.pdb -s /var/tmp/to_scwrl_253441664.seq -o /var/tmp/from_scwrl_253441664.pdb > /var/tmp/scwrl_253441664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_253441664.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 T0309 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1538559971.pdb -s /var/tmp/to_scwrl_1538559971.seq -o /var/tmp/from_scwrl_1538559971.pdb > /var/tmp/scwrl_1538559971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538559971.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_852144207.pdb -s /var/tmp/to_scwrl_852144207.seq -o /var/tmp/from_scwrl_852144207.pdb > /var/tmp/scwrl_852144207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852144207.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_287612477.pdb -s /var/tmp/to_scwrl_287612477.seq -o /var/tmp/from_scwrl_287612477.pdb > /var/tmp/scwrl_287612477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_287612477.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_730916687.pdb -s /var/tmp/to_scwrl_730916687.seq -o /var/tmp/from_scwrl_730916687.pdb > /var/tmp/scwrl_730916687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_730916687.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1282233616.pdb -s /var/tmp/to_scwrl_1282233616.seq -o /var/tmp/from_scwrl_1282233616.pdb > /var/tmp/scwrl_1282233616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282233616.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_36800402.pdb -s /var/tmp/to_scwrl_36800402.seq -o /var/tmp/from_scwrl_36800402.pdb > /var/tmp/scwrl_36800402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_36800402.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1965225645.pdb -s /var/tmp/to_scwrl_1965225645.seq -o /var/tmp/from_scwrl_1965225645.pdb > /var/tmp/scwrl_1965225645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965225645.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1667431540.pdb -s /var/tmp/to_scwrl_1667431540.seq -o /var/tmp/from_scwrl_1667431540.pdb > /var/tmp/scwrl_1667431540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1667431540.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_663517019.pdb -s /var/tmp/to_scwrl_663517019.seq -o /var/tmp/from_scwrl_663517019.pdb > /var/tmp/scwrl_663517019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663517019.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1175467046.pdb -s /var/tmp/to_scwrl_1175467046.seq -o /var/tmp/from_scwrl_1175467046.pdb > /var/tmp/scwrl_1175467046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1175467046.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1469632115.pdb -s /var/tmp/to_scwrl_1469632115.seq -o /var/tmp/from_scwrl_1469632115.pdb > /var/tmp/scwrl_1469632115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469632115.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 41 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_995906476.pdb -s /var/tmp/to_scwrl_995906476.seq -o /var/tmp/from_scwrl_995906476.pdb > /var/tmp/scwrl_995906476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995906476.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 56 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_615807885.pdb -s /var/tmp/to_scwrl_615807885.seq -o /var/tmp/from_scwrl_615807885.pdb > /var/tmp/scwrl_615807885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_615807885.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 69 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_39065817.pdb -s /var/tmp/to_scwrl_39065817.seq -o /var/tmp/from_scwrl_39065817.pdb > /var/tmp/scwrl_39065817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_39065817.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 65 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1655453063.pdb -s /var/tmp/to_scwrl_1655453063.seq -o /var/tmp/from_scwrl_1655453063.pdb > /var/tmp/scwrl_1655453063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1655453063.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 36 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_434095381.pdb -s /var/tmp/to_scwrl_434095381.seq -o /var/tmp/from_scwrl_434095381.pdb > /var/tmp/scwrl_434095381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434095381.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 56 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1260888082.pdb -s /var/tmp/to_scwrl_1260888082.seq -o /var/tmp/from_scwrl_1260888082.pdb > /var/tmp/scwrl_1260888082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260888082.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 71 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1081856855.pdb -s /var/tmp/to_scwrl_1081856855.seq -o /var/tmp/from_scwrl_1081856855.pdb > /var/tmp/scwrl_1081856855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081856855.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 70 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_28581088.pdb -s /var/tmp/to_scwrl_28581088.seq -o /var/tmp/from_scwrl_28581088.pdb > /var/tmp/scwrl_28581088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_28581088.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 74 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_300308922.pdb -s /var/tmp/to_scwrl_300308922.seq -o /var/tmp/from_scwrl_300308922.pdb > /var/tmp/scwrl_300308922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300308922.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 30 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_929675725.pdb -s /var/tmp/to_scwrl_929675725.seq -o /var/tmp/from_scwrl_929675725.pdb > /var/tmp/scwrl_929675725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_929675725.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 36 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_724136115.pdb -s /var/tmp/to_scwrl_724136115.seq -o /var/tmp/from_scwrl_724136115.pdb > /var/tmp/scwrl_724136115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_724136115.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1643402200.pdb -s /var/tmp/to_scwrl_1643402200.seq -o /var/tmp/from_scwrl_1643402200.pdb > /var/tmp/scwrl_1643402200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643402200.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1769355442.pdb -s /var/tmp/to_scwrl_1769355442.seq -o /var/tmp/from_scwrl_1769355442.pdb > /var/tmp/scwrl_1769355442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769355442.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1429295899.pdb -s /var/tmp/to_scwrl_1429295899.seq -o /var/tmp/from_scwrl_1429295899.pdb > /var/tmp/scwrl_1429295899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429295899.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_630379533.pdb -s /var/tmp/to_scwrl_630379533.seq -o /var/tmp/from_scwrl_630379533.pdb > /var/tmp/scwrl_630379533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630379533.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1255601074.pdb -s /var/tmp/to_scwrl_1255601074.seq -o /var/tmp/from_scwrl_1255601074.pdb > /var/tmp/scwrl_1255601074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255601074.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 T0309 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_226362598.pdb -s /var/tmp/to_scwrl_226362598.seq -o /var/tmp/from_scwrl_226362598.pdb > /var/tmp/scwrl_226362598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_226362598.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_415113718.pdb -s /var/tmp/to_scwrl_415113718.seq -o /var/tmp/from_scwrl_415113718.pdb > /var/tmp/scwrl_415113718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_415113718.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 T0309 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_758837281.pdb -s /var/tmp/to_scwrl_758837281.seq -o /var/tmp/from_scwrl_758837281.pdb > /var/tmp/scwrl_758837281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_758837281.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 75 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_479804262.pdb -s /var/tmp/to_scwrl_479804262.seq -o /var/tmp/from_scwrl_479804262.pdb > /var/tmp/scwrl_479804262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479804262.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 T0309 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1953673690.pdb -s /var/tmp/to_scwrl_1953673690.seq -o /var/tmp/from_scwrl_1953673690.pdb > /var/tmp/scwrl_1953673690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1953673690.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1610981487.pdb -s /var/tmp/to_scwrl_1610981487.seq -o /var/tmp/from_scwrl_1610981487.pdb > /var/tmp/scwrl_1610981487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1610981487.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_767416739.pdb -s /var/tmp/to_scwrl_767416739.seq -o /var/tmp/from_scwrl_767416739.pdb > /var/tmp/scwrl_767416739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_767416739.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 T0309 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_537106730.pdb -s /var/tmp/to_scwrl_537106730.seq -o /var/tmp/from_scwrl_537106730.pdb > /var/tmp/scwrl_537106730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_537106730.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_745731457.pdb -s /var/tmp/to_scwrl_745731457.seq -o /var/tmp/from_scwrl_745731457.pdb > /var/tmp/scwrl_745731457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745731457.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 T0309 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_804217142.pdb -s /var/tmp/to_scwrl_804217142.seq -o /var/tmp/from_scwrl_804217142.pdb > /var/tmp/scwrl_804217142.log Error: can't open any of /var/tmp/from_scwrl_804217142.pdb or /var/tmp/from_scwrl_804217142_b.pdb or /var/tmp/from_scwrl_804217142_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 T0309 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_354848729.pdb -s /var/tmp/to_scwrl_354848729.seq -o /var/tmp/from_scwrl_354848729.pdb > /var/tmp/scwrl_354848729.log Error: can't open any of /var/tmp/from_scwrl_354848729.pdb or /var/tmp/from_scwrl_354848729_b.pdb or /var/tmp/from_scwrl_354848729_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 T0309 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_265679351.pdb -s /var/tmp/to_scwrl_265679351.seq -o /var/tmp/from_scwrl_265679351.pdb > /var/tmp/scwrl_265679351.log Error: can't open any of /var/tmp/from_scwrl_265679351.pdb or /var/tmp/from_scwrl_265679351_b.pdb or /var/tmp/from_scwrl_265679351_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 T0309 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1467734160.pdb -s /var/tmp/to_scwrl_1467734160.seq -o /var/tmp/from_scwrl_1467734160.pdb > /var/tmp/scwrl_1467734160.log Error: can't open any of /var/tmp/from_scwrl_1467734160.pdb or /var/tmp/from_scwrl_1467734160_b.pdb or /var/tmp/from_scwrl_1467734160_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 T0309 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1530315775.pdb -s /var/tmp/to_scwrl_1530315775.seq -o /var/tmp/from_scwrl_1530315775.pdb > /var/tmp/scwrl_1530315775.log Error: can't open any of /var/tmp/from_scwrl_1530315775.pdb or /var/tmp/from_scwrl_1530315775_b.pdb or /var/tmp/from_scwrl_1530315775_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 74 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1735311466.pdb -s /var/tmp/to_scwrl_1735311466.seq -o /var/tmp/from_scwrl_1735311466.pdb > /var/tmp/scwrl_1735311466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1735311466.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 T0309 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_316156989.pdb -s /var/tmp/to_scwrl_316156989.seq -o /var/tmp/from_scwrl_316156989.pdb > /var/tmp/scwrl_316156989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_316156989.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2146123660.pdb -s /var/tmp/to_scwrl_2146123660.seq -o /var/tmp/from_scwrl_2146123660.pdb > /var/tmp/scwrl_2146123660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146123660.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 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1774377283.pdb -s /var/tmp/to_scwrl_1774377283.seq -o /var/tmp/from_scwrl_1774377283.pdb > /var/tmp/scwrl_1774377283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1774377283.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 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1971610053.pdb -s /var/tmp/to_scwrl_1971610053.seq -o /var/tmp/from_scwrl_1971610053.pdb > /var/tmp/scwrl_1971610053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1971610053.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 74 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_432735394.pdb -s /var/tmp/to_scwrl_432735394.seq -o /var/tmp/from_scwrl_432735394.pdb > /var/tmp/scwrl_432735394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_432735394.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 T0309 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_887781719.pdb -s /var/tmp/to_scwrl_887781719.seq -o /var/tmp/from_scwrl_887781719.pdb > /var/tmp/scwrl_887781719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_887781719.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 T0309 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_905983262.pdb -s /var/tmp/to_scwrl_905983262.seq -o /var/tmp/from_scwrl_905983262.pdb > /var/tmp/scwrl_905983262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_905983262.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_461316482.pdb -s /var/tmp/to_scwrl_461316482.seq -o /var/tmp/from_scwrl_461316482.pdb > /var/tmp/scwrl_461316482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461316482.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 73 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1188090641.pdb -s /var/tmp/to_scwrl_1188090641.seq -o /var/tmp/from_scwrl_1188090641.pdb > /var/tmp/scwrl_1188090641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1188090641.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1835658986.pdb -s /var/tmp/to_scwrl_1835658986.seq -o /var/tmp/from_scwrl_1835658986.pdb > /var/tmp/scwrl_1835658986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1835658986.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 33 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1185452596.pdb -s /var/tmp/to_scwrl_1185452596.seq -o /var/tmp/from_scwrl_1185452596.pdb > /var/tmp/scwrl_1185452596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1185452596.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 69 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_684009195.pdb -s /var/tmp/to_scwrl_684009195.seq -o /var/tmp/from_scwrl_684009195.pdb > /var/tmp/scwrl_684009195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_684009195.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 40 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1457530781.pdb -s /var/tmp/to_scwrl_1457530781.seq -o /var/tmp/from_scwrl_1457530781.pdb > /var/tmp/scwrl_1457530781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457530781.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_467264850.pdb -s /var/tmp/to_scwrl_467264850.seq -o /var/tmp/from_scwrl_467264850.pdb > /var/tmp/scwrl_467264850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467264850.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 T0309 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1314388727.pdb -s /var/tmp/to_scwrl_1314388727.seq -o /var/tmp/from_scwrl_1314388727.pdb > /var/tmp/scwrl_1314388727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1314388727.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 T0309 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_565648209.pdb -s /var/tmp/to_scwrl_565648209.seq -o /var/tmp/from_scwrl_565648209.pdb > /var/tmp/scwrl_565648209.log Error: can't open any of /var/tmp/from_scwrl_565648209.pdb or /var/tmp/from_scwrl_565648209_b.pdb or /var/tmp/from_scwrl_565648209_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_693627448.pdb -s /var/tmp/to_scwrl_693627448.seq -o /var/tmp/from_scwrl_693627448.pdb > /var/tmp/scwrl_693627448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_693627448.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1729502446.pdb -s /var/tmp/to_scwrl_1729502446.seq -o /var/tmp/from_scwrl_1729502446.pdb > /var/tmp/scwrl_1729502446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729502446.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1324485490.pdb -s /var/tmp/to_scwrl_1324485490.seq -o /var/tmp/from_scwrl_1324485490.pdb > /var/tmp/scwrl_1324485490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1324485490.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 T0309 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1173431710.pdb -s /var/tmp/to_scwrl_1173431710.seq -o /var/tmp/from_scwrl_1173431710.pdb > /var/tmp/scwrl_1173431710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1173431710.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 T0309 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1535692489.pdb -s /var/tmp/to_scwrl_1535692489.seq -o /var/tmp/from_scwrl_1535692489.pdb > /var/tmp/scwrl_1535692489.log Error: can't open any of /var/tmp/from_scwrl_1535692489.pdb or /var/tmp/from_scwrl_1535692489_b.pdb or /var/tmp/from_scwrl_1535692489_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_787983331.pdb -s /var/tmp/to_scwrl_787983331.seq -o /var/tmp/from_scwrl_787983331.pdb > /var/tmp/scwrl_787983331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_787983331.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1940848449.pdb -s /var/tmp/to_scwrl_1940848449.seq -o /var/tmp/from_scwrl_1940848449.pdb > /var/tmp/scwrl_1940848449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1940848449.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2072799219.pdb -s /var/tmp/to_scwrl_2072799219.seq -o /var/tmp/from_scwrl_2072799219.pdb > /var/tmp/scwrl_2072799219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072799219.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 68 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1533714788.pdb -s /var/tmp/to_scwrl_1533714788.seq -o /var/tmp/from_scwrl_1533714788.pdb > /var/tmp/scwrl_1533714788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1533714788.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_597581944.pdb -s /var/tmp/to_scwrl_597581944.seq -o /var/tmp/from_scwrl_597581944.pdb > /var/tmp/scwrl_597581944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_597581944.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_280164301.pdb -s /var/tmp/to_scwrl_280164301.seq -o /var/tmp/from_scwrl_280164301.pdb > /var/tmp/scwrl_280164301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_280164301.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 74 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1799394139.pdb -s /var/tmp/to_scwrl_1799394139.seq -o /var/tmp/from_scwrl_1799394139.pdb > /var/tmp/scwrl_1799394139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1799394139.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 75 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2065316105.pdb -s /var/tmp/to_scwrl_2065316105.seq -o /var/tmp/from_scwrl_2065316105.pdb > /var/tmp/scwrl_2065316105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2065316105.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 55 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1810480076.pdb -s /var/tmp/to_scwrl_1810480076.seq -o /var/tmp/from_scwrl_1810480076.pdb > /var/tmp/scwrl_1810480076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1810480076.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 T0309 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1387221958.pdb -s /var/tmp/to_scwrl_1387221958.seq -o /var/tmp/from_scwrl_1387221958.pdb > /var/tmp/scwrl_1387221958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1387221958.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_233989447.pdb -s /var/tmp/to_scwrl_233989447.seq -o /var/tmp/from_scwrl_233989447.pdb > /var/tmp/scwrl_233989447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_233989447.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 45 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1809120089.pdb -s /var/tmp/to_scwrl_1809120089.seq -o /var/tmp/from_scwrl_1809120089.pdb > /var/tmp/scwrl_1809120089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809120089.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 # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1014115595.pdb -s /var/tmp/to_scwrl_1014115595.seq -o /var/tmp/from_scwrl_1014115595.pdb > /var/tmp/scwrl_1014115595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014115595.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 T0309 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_58115853.pdb -s /var/tmp/to_scwrl_58115853.seq -o /var/tmp/from_scwrl_58115853.pdb > /var/tmp/scwrl_58115853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_58115853.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 T0309 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_94371836.pdb -s /var/tmp/to_scwrl_94371836.seq -o /var/tmp/from_scwrl_94371836.pdb > /var/tmp/scwrl_94371836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94371836.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1901897314.pdb -s /var/tmp/to_scwrl_1901897314.seq -o /var/tmp/from_scwrl_1901897314.pdb > /var/tmp/scwrl_1901897314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1901897314.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 T0309 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_964099115.pdb -s /var/tmp/to_scwrl_964099115.seq -o /var/tmp/from_scwrl_964099115.pdb > /var/tmp/scwrl_964099115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_964099115.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 T0309 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_555688318.pdb -s /var/tmp/to_scwrl_555688318.seq -o /var/tmp/from_scwrl_555688318.pdb > /var/tmp/scwrl_555688318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_555688318.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 72 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_942504309.pdb -s /var/tmp/to_scwrl_942504309.seq -o /var/tmp/from_scwrl_942504309.pdb > /var/tmp/scwrl_942504309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_942504309.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 75 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_652274455.pdb -s /var/tmp/to_scwrl_652274455.seq -o /var/tmp/from_scwrl_652274455.pdb > /var/tmp/scwrl_652274455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652274455.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 75 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1741140915.pdb -s /var/tmp/to_scwrl_1741140915.seq -o /var/tmp/from_scwrl_1741140915.pdb > /var/tmp/scwrl_1741140915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741140915.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 73 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1626513503.pdb -s /var/tmp/to_scwrl_1626513503.seq -o /var/tmp/from_scwrl_1626513503.pdb > /var/tmp/scwrl_1626513503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626513503.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 72 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2109805236.pdb -s /var/tmp/to_scwrl_2109805236.seq -o /var/tmp/from_scwrl_2109805236.pdb > /var/tmp/scwrl_2109805236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109805236.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 74 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_60922118.pdb -s /var/tmp/to_scwrl_60922118.seq -o /var/tmp/from_scwrl_60922118.pdb > /var/tmp/scwrl_60922118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_60922118.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_793418585.pdb -s /var/tmp/to_scwrl_793418585.seq -o /var/tmp/from_scwrl_793418585.pdb > /var/tmp/scwrl_793418585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793418585.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 64 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_527969799.pdb -s /var/tmp/to_scwrl_527969799.seq -o /var/tmp/from_scwrl_527969799.pdb > /var/tmp/scwrl_527969799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_527969799.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_754549566.pdb -s /var/tmp/to_scwrl_754549566.seq -o /var/tmp/from_scwrl_754549566.pdb > /var/tmp/scwrl_754549566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754549566.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 21 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_375437384.pdb -s /var/tmp/to_scwrl_375437384.seq -o /var/tmp/from_scwrl_375437384.pdb > /var/tmp/scwrl_375437384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_375437384.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1852455289.pdb -s /var/tmp/to_scwrl_1852455289.seq -o /var/tmp/from_scwrl_1852455289.pdb > /var/tmp/scwrl_1852455289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1852455289.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 32 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1927981276.pdb -s /var/tmp/to_scwrl_1927981276.seq -o /var/tmp/from_scwrl_1927981276.pdb > /var/tmp/scwrl_1927981276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1927981276.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1911129873.pdb -s /var/tmp/to_scwrl_1911129873.seq -o /var/tmp/from_scwrl_1911129873.pdb > /var/tmp/scwrl_1911129873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1911129873.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 T0309 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_492954973.pdb -s /var/tmp/to_scwrl_492954973.seq -o /var/tmp/from_scwrl_492954973.pdb > /var/tmp/scwrl_492954973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_492954973.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 T0309 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1721346079.pdb -s /var/tmp/to_scwrl_1721346079.seq -o /var/tmp/from_scwrl_1721346079.pdb > /var/tmp/scwrl_1721346079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1721346079.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 T0309 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1836445445.pdb -s /var/tmp/to_scwrl_1836445445.seq -o /var/tmp/from_scwrl_1836445445.pdb > /var/tmp/scwrl_1836445445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1836445445.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 T0309 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2026669761.pdb -s /var/tmp/to_scwrl_2026669761.seq -o /var/tmp/from_scwrl_2026669761.pdb > /var/tmp/scwrl_2026669761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026669761.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 T0309 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_171444376.pdb -s /var/tmp/to_scwrl_171444376.seq -o /var/tmp/from_scwrl_171444376.pdb > /var/tmp/scwrl_171444376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171444376.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2116609747.pdb -s /var/tmp/to_scwrl_2116609747.seq -o /var/tmp/from_scwrl_2116609747.pdb > /var/tmp/scwrl_2116609747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116609747.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1678580253.pdb -s /var/tmp/to_scwrl_1678580253.seq -o /var/tmp/from_scwrl_1678580253.pdb > /var/tmp/scwrl_1678580253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678580253.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_89276834.pdb -s /var/tmp/to_scwrl_89276834.seq -o /var/tmp/from_scwrl_89276834.pdb > /var/tmp/scwrl_89276834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89276834.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 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1779606176.pdb -s /var/tmp/to_scwrl_1779606176.seq -o /var/tmp/from_scwrl_1779606176.pdb > /var/tmp/scwrl_1779606176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779606176.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_918318565.pdb -s /var/tmp/to_scwrl_918318565.seq -o /var/tmp/from_scwrl_918318565.pdb > /var/tmp/scwrl_918318565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918318565.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_323266282.pdb -s /var/tmp/to_scwrl_323266282.seq -o /var/tmp/from_scwrl_323266282.pdb > /var/tmp/scwrl_323266282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_323266282.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1441242619.pdb -s /var/tmp/to_scwrl_1441242619.seq -o /var/tmp/from_scwrl_1441242619.pdb > /var/tmp/scwrl_1441242619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441242619.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 55 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1932434160.pdb -s /var/tmp/to_scwrl_1932434160.seq -o /var/tmp/from_scwrl_1932434160.pdb > /var/tmp/scwrl_1932434160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932434160.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 48 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_381382135.pdb -s /var/tmp/to_scwrl_381382135.seq -o /var/tmp/from_scwrl_381382135.pdb > /var/tmp/scwrl_381382135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_381382135.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 14 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1535614455.pdb -s /var/tmp/to_scwrl_1535614455.seq -o /var/tmp/from_scwrl_1535614455.pdb > /var/tmp/scwrl_1535614455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1535614455.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 75 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1686847827.pdb -s /var/tmp/to_scwrl_1686847827.seq -o /var/tmp/from_scwrl_1686847827.pdb > /var/tmp/scwrl_1686847827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1686847827.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 74 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1345481250.pdb -s /var/tmp/to_scwrl_1345481250.seq -o /var/tmp/from_scwrl_1345481250.pdb > /var/tmp/scwrl_1345481250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1345481250.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 75 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2091302774.pdb -s /var/tmp/to_scwrl_2091302774.seq -o /var/tmp/from_scwrl_2091302774.pdb > /var/tmp/scwrl_2091302774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2091302774.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 75 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_481868489.pdb -s /var/tmp/to_scwrl_481868489.seq -o /var/tmp/from_scwrl_481868489.pdb > /var/tmp/scwrl_481868489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_481868489.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 75 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1997755705.pdb -s /var/tmp/to_scwrl_1997755705.seq -o /var/tmp/from_scwrl_1997755705.pdb > /var/tmp/scwrl_1997755705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997755705.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 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1684960042.pdb -s /var/tmp/to_scwrl_1684960042.seq -o /var/tmp/from_scwrl_1684960042.pdb > /var/tmp/scwrl_1684960042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684960042.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 70 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2108381992.pdb -s /var/tmp/to_scwrl_2108381992.seq -o /var/tmp/from_scwrl_2108381992.pdb > /var/tmp/scwrl_2108381992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2108381992.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 33 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1960077294.pdb -s /var/tmp/to_scwrl_1960077294.seq -o /var/tmp/from_scwrl_1960077294.pdb > /var/tmp/scwrl_1960077294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1960077294.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 43 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1745882160.pdb -s /var/tmp/to_scwrl_1745882160.seq -o /var/tmp/from_scwrl_1745882160.pdb > /var/tmp/scwrl_1745882160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1745882160.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 48 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_754316930.pdb -s /var/tmp/to_scwrl_754316930.seq -o /var/tmp/from_scwrl_754316930.pdb > /var/tmp/scwrl_754316930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754316930.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 75 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_340563446.pdb -s /var/tmp/to_scwrl_340563446.seq -o /var/tmp/from_scwrl_340563446.pdb > /var/tmp/scwrl_340563446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_340563446.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 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_352948079.pdb -s /var/tmp/to_scwrl_352948079.seq -o /var/tmp/from_scwrl_352948079.pdb > /var/tmp/scwrl_352948079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352948079.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 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1129754313.pdb -s /var/tmp/to_scwrl_1129754313.seq -o /var/tmp/from_scwrl_1129754313.pdb > /var/tmp/scwrl_1129754313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1129754313.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 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_45535088.pdb -s /var/tmp/to_scwrl_45535088.seq -o /var/tmp/from_scwrl_45535088.pdb > /var/tmp/scwrl_45535088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45535088.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 T0309 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_133445709.pdb -s /var/tmp/to_scwrl_133445709.seq -o /var/tmp/from_scwrl_133445709.pdb > /var/tmp/scwrl_133445709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_133445709.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 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_893400540.pdb -s /var/tmp/to_scwrl_893400540.seq -o /var/tmp/from_scwrl_893400540.pdb > /var/tmp/scwrl_893400540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_893400540.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 T0309 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_538490062.pdb -s /var/tmp/to_scwrl_538490062.seq -o /var/tmp/from_scwrl_538490062.pdb > /var/tmp/scwrl_538490062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_538490062.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 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1854791788.pdb -s /var/tmp/to_scwrl_1854791788.seq -o /var/tmp/from_scwrl_1854791788.pdb > /var/tmp/scwrl_1854791788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1854791788.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 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_582362339.pdb -s /var/tmp/to_scwrl_582362339.seq -o /var/tmp/from_scwrl_582362339.pdb > /var/tmp/scwrl_582362339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_582362339.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_417676176.pdb -s /var/tmp/to_scwrl_417676176.seq -o /var/tmp/from_scwrl_417676176.pdb > /var/tmp/scwrl_417676176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417676176.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 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2026236164.pdb -s /var/tmp/to_scwrl_2026236164.seq -o /var/tmp/from_scwrl_2026236164.pdb > /var/tmp/scwrl_2026236164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026236164.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_551488439.pdb -s /var/tmp/to_scwrl_551488439.seq -o /var/tmp/from_scwrl_551488439.pdb > /var/tmp/scwrl_551488439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_551488439.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2096256430.pdb -s /var/tmp/to_scwrl_2096256430.seq -o /var/tmp/from_scwrl_2096256430.pdb > /var/tmp/scwrl_2096256430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2096256430.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 T0309 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2115512999.pdb -s /var/tmp/to_scwrl_2115512999.seq -o /var/tmp/from_scwrl_2115512999.pdb > /var/tmp/scwrl_2115512999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2115512999.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 T0309 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_183610968.pdb -s /var/tmp/to_scwrl_183610968.seq -o /var/tmp/from_scwrl_183610968.pdb > /var/tmp/scwrl_183610968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_183610968.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 70 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_867091348.pdb -s /var/tmp/to_scwrl_867091348.seq -o /var/tmp/from_scwrl_867091348.pdb > /var/tmp/scwrl_867091348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_867091348.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 T0309 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_291295634.pdb -s /var/tmp/to_scwrl_291295634.seq -o /var/tmp/from_scwrl_291295634.pdb > /var/tmp/scwrl_291295634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_291295634.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 T0309 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 69 ; scwrl -i /var/tmp/to_scwrl_1624853587.pdb -s /var/tmp/to_scwrl_1624853587.seq -o /var/tmp/from_scwrl_1624853587.pdb > /var/tmp/scwrl_1624853587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624853587.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 T0309 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 69 ; scwrl -i /var/tmp/to_scwrl_652041861.pdb -s /var/tmp/to_scwrl_652041861.seq -o /var/tmp/from_scwrl_652041861.pdb > /var/tmp/scwrl_652041861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652041861.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_672677769.pdb -s /var/tmp/to_scwrl_672677769.seq -o /var/tmp/from_scwrl_672677769.pdb > /var/tmp/scwrl_672677769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_672677769.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 T0309 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 69 ; scwrl -i /var/tmp/to_scwrl_1012984397.pdb -s /var/tmp/to_scwrl_1012984397.seq -o /var/tmp/from_scwrl_1012984397.pdb > /var/tmp/scwrl_1012984397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012984397.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_191406041.pdb -s /var/tmp/to_scwrl_191406041.seq -o /var/tmp/from_scwrl_191406041.pdb > /var/tmp/scwrl_191406041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_191406041.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2018159019.pdb -s /var/tmp/to_scwrl_2018159019.seq -o /var/tmp/from_scwrl_2018159019.pdb > /var/tmp/scwrl_2018159019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2018159019.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_956803524.pdb -s /var/tmp/to_scwrl_956803524.seq -o /var/tmp/from_scwrl_956803524.pdb > /var/tmp/scwrl_956803524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956803524.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_673274530.pdb -s /var/tmp/to_scwrl_673274530.seq -o /var/tmp/from_scwrl_673274530.pdb > /var/tmp/scwrl_673274530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_673274530.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0309 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1868431077.pdb -s /var/tmp/to_scwrl_1868431077.seq -o /var/tmp/from_scwrl_1868431077.pdb > /var/tmp/scwrl_1868431077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1868431077.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 T0309 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_494279919.pdb -s /var/tmp/to_scwrl_494279919.seq -o /var/tmp/from_scwrl_494279919.pdb > /var/tmp/scwrl_494279919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494279919.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 46 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_634172876.pdb -s /var/tmp/to_scwrl_634172876.seq -o /var/tmp/from_scwrl_634172876.pdb > /var/tmp/scwrl_634172876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634172876.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 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1681024725.pdb -s /var/tmp/to_scwrl_1681024725.seq -o /var/tmp/from_scwrl_1681024725.pdb > /var/tmp/scwrl_1681024725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681024725.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_92678432.pdb -s /var/tmp/to_scwrl_92678432.seq -o /var/tmp/from_scwrl_92678432.pdb > /var/tmp/scwrl_92678432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92678432.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 27 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1388489805.pdb -s /var/tmp/to_scwrl_1388489805.seq -o /var/tmp/from_scwrl_1388489805.pdb > /var/tmp/scwrl_1388489805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1388489805.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 # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2021588171.pdb -s /var/tmp/to_scwrl_2021588171.seq -o /var/tmp/from_scwrl_2021588171.pdb > /var/tmp/scwrl_2021588171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2021588171.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 67 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_445626511.pdb -s /var/tmp/to_scwrl_445626511.seq -o /var/tmp/from_scwrl_445626511.pdb > /var/tmp/scwrl_445626511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_445626511.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 58 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_370760473.pdb -s /var/tmp/to_scwrl_370760473.seq -o /var/tmp/from_scwrl_370760473.pdb > /var/tmp/scwrl_370760473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_370760473.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 71 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2067123260.pdb -s /var/tmp/to_scwrl_2067123260.seq -o /var/tmp/from_scwrl_2067123260.pdb > /var/tmp/scwrl_2067123260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067123260.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_579072220.pdb -s /var/tmp/to_scwrl_579072220.seq -o /var/tmp/from_scwrl_579072220.pdb > /var/tmp/scwrl_579072220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579072220.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 75 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1264161012.pdb -s /var/tmp/to_scwrl_1264161012.seq -o /var/tmp/from_scwrl_1264161012.pdb > /var/tmp/scwrl_1264161012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1264161012.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 27 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_458129675.pdb -s /var/tmp/to_scwrl_458129675.seq -o /var/tmp/from_scwrl_458129675.pdb > /var/tmp/scwrl_458129675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_458129675.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 58 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_286380361.pdb -s /var/tmp/to_scwrl_286380361.seq -o /var/tmp/from_scwrl_286380361.pdb > /var/tmp/scwrl_286380361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_286380361.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 35 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1846523351.pdb -s /var/tmp/to_scwrl_1846523351.seq -o /var/tmp/from_scwrl_1846523351.pdb > /var/tmp/scwrl_1846523351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1846523351.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_875805851.pdb -s /var/tmp/to_scwrl_875805851.seq -o /var/tmp/from_scwrl_875805851.pdb > /var/tmp/scwrl_875805851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875805851.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 15 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_165132879.pdb -s /var/tmp/to_scwrl_165132879.seq -o /var/tmp/from_scwrl_165132879.pdb > /var/tmp/scwrl_165132879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_165132879.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 69 ; scwrl -i /var/tmp/to_scwrl_250528143.pdb -s /var/tmp/to_scwrl_250528143.seq -o /var/tmp/from_scwrl_250528143.pdb > /var/tmp/scwrl_250528143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_250528143.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 46 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_824578634.pdb -s /var/tmp/to_scwrl_824578634.seq -o /var/tmp/from_scwrl_824578634.pdb > /var/tmp/scwrl_824578634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_824578634.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 13 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_133162231.pdb -s /var/tmp/to_scwrl_133162231.seq -o /var/tmp/from_scwrl_133162231.pdb > /var/tmp/scwrl_133162231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_133162231.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 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_434139112.pdb -s /var/tmp/to_scwrl_434139112.seq -o /var/tmp/from_scwrl_434139112.pdb > /var/tmp/scwrl_434139112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434139112.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 69 ; scwrl -i /var/tmp/to_scwrl_1691669982.pdb -s /var/tmp/to_scwrl_1691669982.seq -o /var/tmp/from_scwrl_1691669982.pdb > /var/tmp/scwrl_1691669982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1691669982.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_424457865.pdb -s /var/tmp/to_scwrl_424457865.seq -o /var/tmp/from_scwrl_424457865.pdb > /var/tmp/scwrl_424457865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424457865.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2058992699.pdb -s /var/tmp/to_scwrl_2058992699.seq -o /var/tmp/from_scwrl_2058992699.pdb > /var/tmp/scwrl_2058992699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2058992699.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_196228196.pdb -s /var/tmp/to_scwrl_196228196.seq -o /var/tmp/from_scwrl_196228196.pdb > /var/tmp/scwrl_196228196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196228196.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1097135633.pdb -s /var/tmp/to_scwrl_1097135633.seq -o /var/tmp/from_scwrl_1097135633.pdb > /var/tmp/scwrl_1097135633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097135633.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_924493449.pdb -s /var/tmp/to_scwrl_924493449.seq -o /var/tmp/from_scwrl_924493449.pdb > /var/tmp/scwrl_924493449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_924493449.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 T0309 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_387634238.pdb -s /var/tmp/to_scwrl_387634238.seq -o /var/tmp/from_scwrl_387634238.pdb > /var/tmp/scwrl_387634238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_387634238.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 T0309 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_967811007.pdb -s /var/tmp/to_scwrl_967811007.seq -o /var/tmp/from_scwrl_967811007.pdb > /var/tmp/scwrl_967811007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_967811007.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 T0309 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1881296972.pdb -s /var/tmp/to_scwrl_1881296972.seq -o /var/tmp/from_scwrl_1881296972.pdb > /var/tmp/scwrl_1881296972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1881296972.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 T0309 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1060908768.pdb -s /var/tmp/to_scwrl_1060908768.seq -o /var/tmp/from_scwrl_1060908768.pdb > /var/tmp/scwrl_1060908768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060908768.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 T0309 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_688758437.pdb -s /var/tmp/to_scwrl_688758437.seq -o /var/tmp/from_scwrl_688758437.pdb > /var/tmp/scwrl_688758437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_688758437.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 T0309 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_228093244.pdb -s /var/tmp/to_scwrl_228093244.seq -o /var/tmp/from_scwrl_228093244.pdb > /var/tmp/scwrl_228093244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228093244.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1695081643.pdb -s /var/tmp/to_scwrl_1695081643.seq -o /var/tmp/from_scwrl_1695081643.pdb > /var/tmp/scwrl_1695081643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1695081643.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 T0309 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_222299515.pdb -s /var/tmp/to_scwrl_222299515.seq -o /var/tmp/from_scwrl_222299515.pdb > /var/tmp/scwrl_222299515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_222299515.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 T0309 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_320771676.pdb -s /var/tmp/to_scwrl_320771676.seq -o /var/tmp/from_scwrl_320771676.pdb > /var/tmp/scwrl_320771676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_320771676.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 T0309 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_936087803.pdb -s /var/tmp/to_scwrl_936087803.seq -o /var/tmp/from_scwrl_936087803.pdb > /var/tmp/scwrl_936087803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936087803.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 T0309 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_96404040.pdb -s /var/tmp/to_scwrl_96404040.seq -o /var/tmp/from_scwrl_96404040.pdb > /var/tmp/scwrl_96404040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_96404040.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_766398188.pdb -s /var/tmp/to_scwrl_766398188.seq -o /var/tmp/from_scwrl_766398188.pdb > /var/tmp/scwrl_766398188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_766398188.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 61 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1306848275.pdb -s /var/tmp/to_scwrl_1306848275.seq -o /var/tmp/from_scwrl_1306848275.pdb > /var/tmp/scwrl_1306848275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306848275.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 58 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_16043653.pdb -s /var/tmp/to_scwrl_16043653.seq -o /var/tmp/from_scwrl_16043653.pdb > /var/tmp/scwrl_16043653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16043653.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 61 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1345470407.pdb -s /var/tmp/to_scwrl_1345470407.seq -o /var/tmp/from_scwrl_1345470407.pdb > /var/tmp/scwrl_1345470407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1345470407.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 69 ; scwrl -i /var/tmp/to_scwrl_423525641.pdb -s /var/tmp/to_scwrl_423525641.seq -o /var/tmp/from_scwrl_423525641.pdb > /var/tmp/scwrl_423525641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423525641.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 10 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_474173328.pdb -s /var/tmp/to_scwrl_474173328.seq -o /var/tmp/from_scwrl_474173328.pdb > /var/tmp/scwrl_474173328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_474173328.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 29 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1631850769.pdb -s /var/tmp/to_scwrl_1631850769.seq -o /var/tmp/from_scwrl_1631850769.pdb > /var/tmp/scwrl_1631850769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631850769.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 69 ; scwrl -i /var/tmp/to_scwrl_122565346.pdb -s /var/tmp/to_scwrl_122565346.seq -o /var/tmp/from_scwrl_122565346.pdb > /var/tmp/scwrl_122565346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122565346.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 32 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1349979178.pdb -s /var/tmp/to_scwrl_1349979178.seq -o /var/tmp/from_scwrl_1349979178.pdb > /var/tmp/scwrl_1349979178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349979178.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 30 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1796983648.pdb -s /var/tmp/to_scwrl_1796983648.seq -o /var/tmp/from_scwrl_1796983648.pdb > /var/tmp/scwrl_1796983648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796983648.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 69 ; scwrl -i /var/tmp/to_scwrl_373093489.pdb -s /var/tmp/to_scwrl_373093489.seq -o /var/tmp/from_scwrl_373093489.pdb > /var/tmp/scwrl_373093489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373093489.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_27074166.pdb -s /var/tmp/to_scwrl_27074166.seq -o /var/tmp/from_scwrl_27074166.pdb > /var/tmp/scwrl_27074166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_27074166.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 # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1930145879.pdb -s /var/tmp/to_scwrl_1930145879.seq -o /var/tmp/from_scwrl_1930145879.pdb > /var/tmp/scwrl_1930145879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1930145879.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 18 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_807232601.pdb -s /var/tmp/to_scwrl_807232601.seq -o /var/tmp/from_scwrl_807232601.pdb > /var/tmp/scwrl_807232601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807232601.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1718744148.pdb -s /var/tmp/to_scwrl_1718744148.seq -o /var/tmp/from_scwrl_1718744148.pdb > /var/tmp/scwrl_1718744148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718744148.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 T0309 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_207120097.pdb -s /var/tmp/to_scwrl_207120097.seq -o /var/tmp/from_scwrl_207120097.pdb > /var/tmp/scwrl_207120097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_207120097.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 T0309 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_718741654.pdb -s /var/tmp/to_scwrl_718741654.seq -o /var/tmp/from_scwrl_718741654.pdb > /var/tmp/scwrl_718741654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_718741654.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 T0309 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1914972344.pdb -s /var/tmp/to_scwrl_1914972344.seq -o /var/tmp/from_scwrl_1914972344.pdb > /var/tmp/scwrl_1914972344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914972344.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 T0309 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1304255730.pdb -s /var/tmp/to_scwrl_1304255730.seq -o /var/tmp/from_scwrl_1304255730.pdb > /var/tmp/scwrl_1304255730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304255730.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 T0309 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1643235102.pdb -s /var/tmp/to_scwrl_1643235102.seq -o /var/tmp/from_scwrl_1643235102.pdb > /var/tmp/scwrl_1643235102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643235102.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 T0309 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_155122935.pdb -s /var/tmp/to_scwrl_155122935.seq -o /var/tmp/from_scwrl_155122935.pdb > /var/tmp/scwrl_155122935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155122935.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 T0309 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_124583090.pdb -s /var/tmp/to_scwrl_124583090.seq -o /var/tmp/from_scwrl_124583090.pdb > /var/tmp/scwrl_124583090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_124583090.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 T0309 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1377048428.pdb -s /var/tmp/to_scwrl_1377048428.seq -o /var/tmp/from_scwrl_1377048428.pdb > /var/tmp/scwrl_1377048428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1377048428.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 T0309 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1216031703.pdb -s /var/tmp/to_scwrl_1216031703.seq -o /var/tmp/from_scwrl_1216031703.pdb > /var/tmp/scwrl_1216031703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1216031703.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 T0309 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_813341528.pdb -s /var/tmp/to_scwrl_813341528.seq -o /var/tmp/from_scwrl_813341528.pdb > /var/tmp/scwrl_813341528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_813341528.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 T0309 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1605141672.pdb -s /var/tmp/to_scwrl_1605141672.seq -o /var/tmp/from_scwrl_1605141672.pdb > /var/tmp/scwrl_1605141672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1605141672.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 74 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_763629700.pdb -s /var/tmp/to_scwrl_763629700.seq -o /var/tmp/from_scwrl_763629700.pdb > /var/tmp/scwrl_763629700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_763629700.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 71 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1035641043.pdb -s /var/tmp/to_scwrl_1035641043.seq -o /var/tmp/from_scwrl_1035641043.pdb > /var/tmp/scwrl_1035641043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1035641043.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 68 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1925913349.pdb -s /var/tmp/to_scwrl_1925913349.seq -o /var/tmp/from_scwrl_1925913349.pdb > /var/tmp/scwrl_1925913349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925913349.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 75 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1699717502.pdb -s /var/tmp/to_scwrl_1699717502.seq -o /var/tmp/from_scwrl_1699717502.pdb > /var/tmp/scwrl_1699717502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1699717502.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 74 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1132045082.pdb -s /var/tmp/to_scwrl_1132045082.seq -o /var/tmp/from_scwrl_1132045082.pdb > /var/tmp/scwrl_1132045082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132045082.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 75 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_544827890.pdb -s /var/tmp/to_scwrl_544827890.seq -o /var/tmp/from_scwrl_544827890.pdb > /var/tmp/scwrl_544827890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_544827890.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_859082131.pdb -s /var/tmp/to_scwrl_859082131.seq -o /var/tmp/from_scwrl_859082131.pdb > /var/tmp/scwrl_859082131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_859082131.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 T0309 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1148088735.pdb -s /var/tmp/to_scwrl_1148088735.seq -o /var/tmp/from_scwrl_1148088735.pdb > /var/tmp/scwrl_1148088735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148088735.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1890298297.pdb -s /var/tmp/to_scwrl_1890298297.seq -o /var/tmp/from_scwrl_1890298297.pdb > /var/tmp/scwrl_1890298297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1890298297.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 T0309 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1282607772.pdb -s /var/tmp/to_scwrl_1282607772.seq -o /var/tmp/from_scwrl_1282607772.pdb > /var/tmp/scwrl_1282607772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282607772.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 T0309 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1622262063.pdb -s /var/tmp/to_scwrl_1622262063.seq -o /var/tmp/from_scwrl_1622262063.pdb > /var/tmp/scwrl_1622262063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1622262063.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1374665419.pdb -s /var/tmp/to_scwrl_1374665419.seq -o /var/tmp/from_scwrl_1374665419.pdb > /var/tmp/scwrl_1374665419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374665419.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 64 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1405173118.pdb -s /var/tmp/to_scwrl_1405173118.seq -o /var/tmp/from_scwrl_1405173118.pdb > /var/tmp/scwrl_1405173118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1405173118.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 74 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_824757596.pdb -s /var/tmp/to_scwrl_824757596.seq -o /var/tmp/from_scwrl_824757596.pdb > /var/tmp/scwrl_824757596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_824757596.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 34 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1024165421.pdb -s /var/tmp/to_scwrl_1024165421.seq -o /var/tmp/from_scwrl_1024165421.pdb > /var/tmp/scwrl_1024165421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1024165421.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 55 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1778266607.pdb -s /var/tmp/to_scwrl_1778266607.seq -o /var/tmp/from_scwrl_1778266607.pdb > /var/tmp/scwrl_1778266607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1778266607.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 34 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_851831762.pdb -s /var/tmp/to_scwrl_851831762.seq -o /var/tmp/from_scwrl_851831762.pdb > /var/tmp/scwrl_851831762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851831762.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 73 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_806827653.pdb -s /var/tmp/to_scwrl_806827653.seq -o /var/tmp/from_scwrl_806827653.pdb > /var/tmp/scwrl_806827653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806827653.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_438015562.pdb -s /var/tmp/to_scwrl_438015562.seq -o /var/tmp/from_scwrl_438015562.pdb > /var/tmp/scwrl_438015562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_438015562.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_423092263.pdb -s /var/tmp/to_scwrl_423092263.seq -o /var/tmp/from_scwrl_423092263.pdb > /var/tmp/scwrl_423092263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423092263.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 71 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1013947750.pdb -s /var/tmp/to_scwrl_1013947750.seq -o /var/tmp/from_scwrl_1013947750.pdb > /var/tmp/scwrl_1013947750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013947750.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 73 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1156757215.pdb -s /var/tmp/to_scwrl_1156757215.seq -o /var/tmp/from_scwrl_1156757215.pdb > /var/tmp/scwrl_1156757215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1156757215.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 T0309 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_190580960.pdb -s /var/tmp/to_scwrl_190580960.seq -o /var/tmp/from_scwrl_190580960.pdb > /var/tmp/scwrl_190580960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_190580960.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 T0309 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_170719834.pdb -s /var/tmp/to_scwrl_170719834.seq -o /var/tmp/from_scwrl_170719834.pdb > /var/tmp/scwrl_170719834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170719834.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 T0309 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_652508671.pdb -s /var/tmp/to_scwrl_652508671.seq -o /var/tmp/from_scwrl_652508671.pdb > /var/tmp/scwrl_652508671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652508671.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 T0309 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_345703896.pdb -s /var/tmp/to_scwrl_345703896.seq -o /var/tmp/from_scwrl_345703896.pdb > /var/tmp/scwrl_345703896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_345703896.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 T0309 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_295302924.pdb -s /var/tmp/to_scwrl_295302924.seq -o /var/tmp/from_scwrl_295302924.pdb > /var/tmp/scwrl_295302924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_295302924.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2029557099.pdb -s /var/tmp/to_scwrl_2029557099.seq -o /var/tmp/from_scwrl_2029557099.pdb > /var/tmp/scwrl_2029557099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029557099.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 54 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1561735599.pdb -s /var/tmp/to_scwrl_1561735599.seq -o /var/tmp/from_scwrl_1561735599.pdb > /var/tmp/scwrl_1561735599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1561735599.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 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1108644451.pdb -s /var/tmp/to_scwrl_1108644451.seq -o /var/tmp/from_scwrl_1108644451.pdb > /var/tmp/scwrl_1108644451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1108644451.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1487215125.pdb -s /var/tmp/to_scwrl_1487215125.seq -o /var/tmp/from_scwrl_1487215125.pdb > /var/tmp/scwrl_1487215125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1487215125.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 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_177881652.pdb -s /var/tmp/to_scwrl_177881652.seq -o /var/tmp/from_scwrl_177881652.pdb > /var/tmp/scwrl_177881652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_177881652.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 T0309 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_2144285495.pdb -s /var/tmp/to_scwrl_2144285495.seq -o /var/tmp/from_scwrl_2144285495.pdb > /var/tmp/scwrl_2144285495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2144285495.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 T0309 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1265644827.pdb -s /var/tmp/to_scwrl_1265644827.seq -o /var/tmp/from_scwrl_1265644827.pdb > /var/tmp/scwrl_1265644827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1265644827.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 T0309 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1877599155.pdb -s /var/tmp/to_scwrl_1877599155.seq -o /var/tmp/from_scwrl_1877599155.pdb > /var/tmp/scwrl_1877599155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877599155.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 T0309 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1128846930.pdb -s /var/tmp/to_scwrl_1128846930.seq -o /var/tmp/from_scwrl_1128846930.pdb > /var/tmp/scwrl_1128846930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128846930.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 T0309 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1810472717.pdb -s /var/tmp/to_scwrl_1810472717.seq -o /var/tmp/from_scwrl_1810472717.pdb > /var/tmp/scwrl_1810472717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1810472717.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 T0309 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_589197639.pdb -s /var/tmp/to_scwrl_589197639.seq -o /var/tmp/from_scwrl_589197639.pdb > /var/tmp/scwrl_589197639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_589197639.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 T0309 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_129452020.pdb -s /var/tmp/to_scwrl_129452020.seq -o /var/tmp/from_scwrl_129452020.pdb > /var/tmp/scwrl_129452020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_129452020.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 T0309 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 69 ; scwrl -i /var/tmp/to_scwrl_1553287367.pdb -s /var/tmp/to_scwrl_1553287367.seq -o /var/tmp/from_scwrl_1553287367.pdb > /var/tmp/scwrl_1553287367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1553287367.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 22.580 sec, elapsed time= 220.765 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 656.647 real_cost = 252.883 shub_TS1 costs 643.912 real_cost = 255.035 panther2_TS1-scwrl costs 617.274 real_cost = 276.126 panther2_TS1 costs 606.310 real_cost = 287.821 nFOLD_TS5-scwrl costs 525.861 real_cost = 291.489 nFOLD_TS5 costs 17550.247 real_cost = 309.719 nFOLD_TS4-scwrl costs 514.978 real_cost = 288.476 nFOLD_TS4 costs 18770.684 real_cost = 307.719 nFOLD_TS3-scwrl costs 530.389 real_cost = 293.276 nFOLD_TS3 costs 17407.805 real_cost = 311.519 nFOLD_TS2-scwrl costs 514.978 real_cost = 288.476 nFOLD_TS2 costs 18770.684 real_cost = 307.719 nFOLD_TS1-scwrl costs 449.868 real_cost = 273.097 nFOLD_TS1 costs 18844.973 real_cost = 315.658 mGen-3D_TS1-scwrl costs 637.376 real_cost = 271.542 mGen-3D_TS1 costs 66336.488 real_cost = 277.915 keasar-server_TS5-scwrl costs 437.452 real_cost = 235.785 keasar-server_TS5 costs 446.431 real_cost = 243.691 keasar-server_TS4-scwrl costs 455.609 real_cost = 250.285 keasar-server_TS4 costs 458.803 real_cost = 250.422 keasar-server_TS3-scwrl costs 464.181 real_cost = 319.212 keasar-server_TS3 costs 466.622 real_cost = 319.034 keasar-server_TS2-scwrl costs 477.177 real_cost = 313.537 keasar-server_TS2 costs 481.716 real_cost = 313.338 keasar-server_TS1-scwrl costs 436.367 real_cost = 299.687 keasar-server_TS1 costs 446.189 real_cost = 300.378 karypis.srv_TS5-scwrl costs 520.831 real_cost = 294.608 karypis.srv_TS5 costs 510.704 real_cost = 294.543 karypis.srv_TS4-scwrl costs 477.872 real_cost = 271.555 karypis.srv_TS4 costs 477.425 real_cost = 270.755 karypis.srv_TS3-scwrl costs 486.212 real_cost = 296.577 karypis.srv_TS3 costs 482.445 real_cost = 295.777 karypis.srv_TS2-scwrl costs 517.072 real_cost = 283.510 karypis.srv_TS2 costs 509.567 real_cost = 282.401 karypis.srv_TS1-scwrl costs 506.660 real_cost = 281.550 karypis.srv_TS1 costs 493.076 real_cost = 281.634 karypis.srv.4_TS5-scwrl costs 477.994 real_cost = 309.914 karypis.srv.4_TS5 costs 479.841 real_cost = 309.879 karypis.srv.4_TS4-scwrl costs 500.130 real_cost = 260.716 karypis.srv.4_TS4 costs 501.439 real_cost = 260.716 karypis.srv.4_TS3-scwrl costs 490.401 real_cost = 301.938 karypis.srv.4_TS3 costs 489.651 real_cost = 300.753 karypis.srv.4_TS2-scwrl costs 523.521 real_cost = 327.742 karypis.srv.4_TS2 costs 523.521 real_cost = 327.742 karypis.srv.4_TS1-scwrl costs 509.903 real_cost = 227.804 karypis.srv.4_TS1 costs 509.903 real_cost = 227.804 karypis.srv.2_TS5-scwrl costs 482.781 real_cost = 276.477 karypis.srv.2_TS5 costs 482.781 real_cost = 276.477 karypis.srv.2_TS4-scwrl costs 456.387 real_cost = 250.592 karypis.srv.2_TS4 costs 456.387 real_cost = 250.592 karypis.srv.2_TS3-scwrl costs 459.936 real_cost = 223.217 karypis.srv.2_TS3 costs 459.936 real_cost = 223.217 karypis.srv.2_TS2-scwrl costs 459.479 real_cost = 320.168 karypis.srv.2_TS2 costs 459.479 real_cost = 320.168 karypis.srv.2_TS1-scwrl costs 449.801 real_cost = 229.484 karypis.srv.2_TS1 costs 449.801 real_cost = 229.484 forecast-s_AL5-scwrl costs 831.442 real_cost = 375.899 forecast-s_AL5 costs 15755.142 real_cost = 375.899 forecast-s_AL4-scwrl costs 518.405 real_cost = 319.284 forecast-s_AL4 costs 20942.371 real_cost = 372.442 forecast-s_AL3-scwrl costs 487.991 real_cost = 333.345 forecast-s_AL3 costs 10563.163 real_cost = 388.576 forecast-s_AL2-scwrl costs 924.507 real_cost = 376.033 forecast-s_AL2 costs 21003.730 real_cost = 376.033 forecast-s_AL1-scwrl costs 465.496 real_cost = 275.457 forecast-s_AL1 costs 26518.656 real_cost = 331.081 beautshotbase_TS1-scwrl costs 511.623 real_cost = 232.064 beautshotbase_TS1 costs 504.969 real_cost = 244.915 beautshot_TS1-scwrl costs 506.709 real_cost = 245.925 beautshot_TS1 costs 497.808 real_cost = 249.111 Zhang-Server_TS5-scwrl costs 491.913 real_cost = 250.427 Zhang-Server_TS5 costs 472.556 real_cost = 255.315 Zhang-Server_TS4-scwrl costs 401.732 real_cost = 276.326 Zhang-Server_TS4 costs 411.476 real_cost = 278.245 Zhang-Server_TS3-scwrl costs 498.511 real_cost = 240.620 Zhang-Server_TS3 costs 495.003 real_cost = 245.817 Zhang-Server_TS2-scwrl costs 489.471 real_cost = 254.469 Zhang-Server_TS2 costs 497.492 real_cost = 251.079 Zhang-Server_TS1-scwrl costs 526.261 real_cost = 255.886 Zhang-Server_TS1 costs 501.125 real_cost = 250.090 UNI-EID_sfst_AL5-scwrl costs 704.803 real_cost = 306.236 UNI-EID_sfst_AL5 costs 13113.766 real_cost = 335.918 UNI-EID_sfst_AL4-scwrl costs 675.737 real_cost = 275.371 UNI-EID_sfst_AL4 costs 40700.739 real_cost = 301.824 UNI-EID_sfst_AL3-scwrl costs 722.191 real_cost = 349.334 UNI-EID_sfst_AL3 costs 1601.888 real_cost = 352.536 UNI-EID_sfst_AL2-scwrl costs 722.119 real_cost = 364.374 UNI-EID_sfst_AL2 costs 3539.325 real_cost = 369.987 UNI-EID_sfst_AL1-scwrl costs 681.217 real_cost = 348.904 UNI-EID_sfst_AL1 costs 3040.159 real_cost = 355.457 UNI-EID_expm_TS1-scwrl costs 721.508 real_cost = 339.277 UNI-EID_expm_TS1 costs 1589.868 real_cost = 348.528 UNI-EID_bnmx_TS5-scwrl costs 526.280 real_cost = 307.699 UNI-EID_bnmx_TS5 costs 16140.035 real_cost = 369.884 UNI-EID_bnmx_TS4-scwrl costs 632.703 real_cost = 328.974 UNI-EID_bnmx_TS4 costs 27400.727 real_cost = 369.252 UNI-EID_bnmx_TS3-scwrl costs 563.454 real_cost = 322.274 UNI-EID_bnmx_TS3 costs 21091.240 real_cost = 378.345 UNI-EID_bnmx_TS2-scwrl costs 611.641 real_cost = 319.676 UNI-EID_bnmx_TS2 costs 79360.842 real_cost = 371.837 UNI-EID_bnmx_TS1-scwrl costs 588.923 real_cost = 306.461 UNI-EID_bnmx_TS1 costs 3282.391 real_cost = 340.634 SPARKS2_TS5-scwrl costs 429.927 real_cost = 249.512 SPARKS2_TS5 costs 435.069 real_cost = 237.301 SPARKS2_TS4-scwrl costs 434.540 real_cost = 250.925 SPARKS2_TS4 costs 437.853 real_cost = 247.882 SPARKS2_TS3-scwrl costs 443.249 real_cost = 210.012 SPARKS2_TS3 costs 449.865 real_cost = 217.542 SPARKS2_TS2-scwrl costs 441.841 real_cost = 279.427 SPARKS2_TS2 costs 449.985 real_cost = 277.568 SPARKS2_TS1-scwrl costs 420.154 real_cost = 251.076 SPARKS2_TS1 costs 430.680 real_cost = 253.431 SP4_TS5-scwrl costs 399.320 real_cost = 221.592 SP4_TS5 costs 407.334 real_cost = 218.819 SP4_TS4-scwrl costs 471.778 real_cost = 328.672 SP4_TS4 costs 488.519 real_cost = 328.339 SP4_TS3-scwrl costs 409.231 real_cost = 294.587 SP4_TS3 costs 418.012 real_cost = 294.233 SP4_TS2-scwrl costs 460.315 real_cost = 216.609 SP4_TS2 costs 469.329 real_cost = 208.047 SP4_TS1-scwrl costs 403.776 real_cost = 293.629 SP4_TS1 costs 410.754 real_cost = 294.217 SP3_TS5-scwrl costs 440.985 real_cost = 253.614 SP3_TS5 costs 455.208 real_cost = 269.546 SP3_TS4-scwrl costs 420.709 real_cost = 259.741 SP3_TS4 costs 427.625 real_cost = 258.172 SP3_TS3-scwrl costs 481.919 real_cost = 330.072 SP3_TS3 costs 466.286 real_cost = 329.971 SP3_TS2-scwrl costs 425.496 real_cost = 314.852 SP3_TS2 costs 422.226 real_cost = 314.951 SP3_TS1-scwrl costs 445.902 real_cost = 287.692 SP3_TS1 costs 458.576 real_cost = 296.714 SAM_T06_server_TS5-scwrl costs 687.961 real_cost = 245.743 SAM_T06_server_TS5 costs 636.333 real_cost = 243.572 SAM_T06_server_TS4-scwrl costs 690.488 real_cost = 337.635 SAM_T06_server_TS4 costs 683.378 real_cost = 341.362 SAM_T06_server_TS3-scwrl costs 549.257 real_cost = 330.566 SAM_T06_server_TS3 costs 541.289 real_cost = 331.819 SAM_T06_server_TS2-scwrl costs 666.407 real_cost = 335.915 SAM_T06_server_TS2 costs 583.462 real_cost = 333.070 SAM_T06_server_TS1-scwrl costs 351.455 real_cost = 250.166 SAM_T06_server_TS1 costs 346.963 real_cost = 250.092 SAM-T99_AL1-scwrl costs 774.604 real_cost = 412.193 SAM-T99_AL1 costs 6802.086 real_cost = 423.305 SAM-T02_AL5-scwrl costs 729.797 real_cost = 400.496 SAM-T02_AL5 costs 1825.266 real_cost = 415.598 SAM-T02_AL4-scwrl costs 637.909 real_cost = 331.829 SAM-T02_AL4 costs 9779.895 real_cost = 372.838 SAM-T02_AL3-scwrl costs 722.430 real_cost = 344.744 SAM-T02_AL3 costs 66622.589 real_cost = 366.798 SAM-T02_AL2-scwrl costs 686.231 real_cost = 372.373 SAM-T02_AL2 costs 62081.130 real_cost = 408.924 SAM-T02_AL1-scwrl costs 676.395 real_cost = 374.547 SAM-T02_AL1 costs 33362.352 real_cost = 404.918 ROKKY_TS5-scwrl costs 426.693 real_cost = 245.103 ROKKY_TS5 costs 4190.591 real_cost = 311.870 ROKKY_TS4-scwrl costs 424.574 real_cost = 243.751 ROKKY_TS4 costs 4861.907 real_cost = 307.166 ROKKY_TS3-scwrl costs 416.425 real_cost = 245.899 ROKKY_TS3 costs 3538.378 real_cost = 308.744 ROKKY_TS2-scwrl costs 403.617 real_cost = 261.746 ROKKY_TS2 costs 6000.373 real_cost = 326.976 ROKKY_TS1-scwrl costs 402.185 real_cost = 251.765 ROKKY_TS1 costs 3877.523 real_cost = 318.102 ROBETTA_TS5-scwrl costs 402.455 real_cost = 261.735 ROBETTA_TS5 costs 391.331 real_cost = 264.742 ROBETTA_TS4-scwrl costs 396.035 real_cost = 275.234 ROBETTA_TS4 costs 393.262 real_cost = 291.039 ROBETTA_TS3-scwrl costs 393.913 real_cost = 268.880 ROBETTA_TS3 costs 392.712 real_cost = 263.695 ROBETTA_TS2-scwrl costs 400.635 real_cost = 266.318 ROBETTA_TS2 costs 396.212 real_cost = 263.350 ROBETTA_TS1-scwrl costs 393.714 real_cost = 268.765 ROBETTA_TS1 costs 391.721 real_cost = 270.112 RAPTOR_TS5-scwrl costs 396.521 real_cost = 251.046 RAPTOR_TS5 costs 403.543 real_cost = 244.094 RAPTOR_TS4-scwrl costs 430.158 real_cost = 284.634 RAPTOR_TS4 costs 435.499 real_cost = 286.673 RAPTOR_TS3-scwrl costs 448.378 real_cost = 290.556 RAPTOR_TS3 costs 447.340 real_cost = 290.444 RAPTOR_TS2-scwrl costs 406.005 real_cost = 252.058 RAPTOR_TS2 costs 408.288 real_cost = 261.615 RAPTOR_TS1-scwrl costs 399.224 real_cost = 306.035 RAPTOR_TS1 costs 408.050 real_cost = 305.929 RAPTORESS_TS5-scwrl costs 404.344 real_cost = 304.835 RAPTORESS_TS5 costs 408.696 real_cost = 305.026 RAPTORESS_TS4-scwrl costs 388.584 real_cost = 230.447 RAPTORESS_TS4 costs 389.573 real_cost = 227.615 RAPTORESS_TS3-scwrl costs 418.271 real_cost = 286.543 RAPTORESS_TS3 costs 423.601 real_cost = 289.881 RAPTORESS_TS2-scwrl costs 400.821 real_cost = 252.749 RAPTORESS_TS2 costs 405.243 real_cost = 257.262 RAPTORESS_TS1-scwrl costs 389.190 real_cost = 304.123 RAPTORESS_TS1 costs 400.415 real_cost = 304.100 RAPTOR-ACE_TS5-scwrl costs 440.985 real_cost = 253.614 RAPTOR-ACE_TS5 costs 455.208 real_cost = 269.546 RAPTOR-ACE_TS4-scwrl costs 398.981 real_cost = 305.848 RAPTOR-ACE_TS4 costs 405.361 real_cost = 305.798 RAPTOR-ACE_TS3-scwrl costs 422.238 real_cost = 259.440 RAPTOR-ACE_TS3 costs 414.315 real_cost = 259.627 RAPTOR-ACE_TS2-scwrl costs 393.745 real_cost = 307.575 RAPTOR-ACE_TS2 costs 395.828 real_cost = 307.665 RAPTOR-ACE_TS1-scwrl costs 393.708 real_cost = 247.967 RAPTOR-ACE_TS1 costs 407.614 real_cost = 250.370 Pmodeller6_TS5-scwrl costs 611.838 real_cost = 257.534 Pmodeller6_TS5 costs 602.493 real_cost = 244.699 Pmodeller6_TS4-scwrl costs 613.496 real_cost = 250.513 Pmodeller6_TS4 costs 606.053 real_cost = 247.028 Pmodeller6_TS3-scwrl costs 437.172 real_cost = 235.054 Pmodeller6_TS3 costs 437.172 real_cost = 235.054 Pmodeller6_TS2-scwrl costs 398.590 real_cost = 244.202 Pmodeller6_TS2 costs 398.590 real_cost = 244.202 Pmodeller6_TS1-scwrl costs 604.325 real_cost = 292.730 Pmodeller6_TS1 costs 595.143 real_cost = 290.345 Phyre-2_TS5-scwrl costs 436.412 real_cost = 255.530 Phyre-2_TS5 costs 463.011 real_cost = 254.888 Phyre-2_TS4-scwrl costs 440.307 real_cost = 252.964 Phyre-2_TS4 costs 459.916 real_cost = 252.633 Phyre-2_TS3-scwrl costs 421.370 real_cost = 267.666 Phyre-2_TS3 costs 445.248 real_cost = 267.451 Phyre-2_TS2-scwrl costs 423.907 real_cost = 267.666 Phyre-2_TS2 costs 450.429 real_cost = 267.451 Phyre-2_TS1-scwrl costs 464.715 real_cost = 249.584 Phyre-2_TS1 costs 486.956 real_cost = 251.648 Phyre-1_TS1-scwrl costs 700.647 real_cost = 351.071 Phyre-1_TS1 costs 681.524 real_cost = 351.842 Pcons6_TS5-scwrl costs 398.590 real_cost = 244.202 Pcons6_TS5 costs 398.590 real_cost = 244.202 Pcons6_TS4-scwrl costs 611.838 real_cost = 257.534 Pcons6_TS4 costs 602.493 real_cost = 244.699 Pcons6_TS3-scwrl costs 570.144 real_cost = 249.011 Pcons6_TS3 costs 560.652 real_cost = 245.802 Pcons6_TS2-scwrl costs 570.144 real_cost = 249.011 Pcons6_TS2 costs 560.652 real_cost = 245.802 Pcons6_TS1-scwrl costs 570.144 real_cost = 249.011 Pcons6_TS1 costs 560.652 real_cost = 245.802 PROTINFO_TS5-scwrl costs 460.313 real_cost = 251.722 PROTINFO_TS5 costs 465.291 real_cost = 276.719 PROTINFO_TS4-scwrl costs 471.012 real_cost = 240.400 PROTINFO_TS4 costs 479.080 real_cost = 265.110 PROTINFO_TS3-scwrl costs 466.433 real_cost = 262.160 PROTINFO_TS3 costs 473.731 real_cost = 265.395 PROTINFO_TS2-scwrl costs 471.375 real_cost = 245.563 PROTINFO_TS2 costs 478.903 real_cost = 264.486 PROTINFO_TS1-scwrl costs 603.381 real_cost = 323.092 PROTINFO_TS1 costs 599.283 real_cost = 320.782 PROTINFO-AB_TS5-scwrl costs 453.343 real_cost = 234.100 PROTINFO-AB_TS5 costs 450.688 real_cost = 234.454 PROTINFO-AB_TS4-scwrl costs 473.730 real_cost = 272.052 PROTINFO-AB_TS4 costs 469.642 real_cost = 267.169 PROTINFO-AB_TS3-scwrl costs 471.375 real_cost = 245.563 PROTINFO-AB_TS3 costs 478.903 real_cost = 264.486 PROTINFO-AB_TS2-scwrl costs 467.008 real_cost = 256.149 PROTINFO-AB_TS2 costs 465.965 real_cost = 257.730 PROTINFO-AB_TS1-scwrl costs 460.313 real_cost = 251.722 PROTINFO-AB_TS1 costs 465.291 real_cost = 276.719 POMYSL_TS5-scwrl costs 523.841 real_cost = 315.112 POMYSL_TS5 costs 539.574 real_cost = 314.970 POMYSL_TS4-scwrl costs 529.431 real_cost = 311.785 POMYSL_TS4 costs 544.578 real_cost = 311.491 POMYSL_TS3-scwrl costs 502.871 real_cost = 302.118 POMYSL_TS3 costs 504.263 real_cost = 301.941 POMYSL_TS2-scwrl costs 523.749 real_cost = 326.357 POMYSL_TS2 costs 547.740 real_cost = 326.249 POMYSL_TS1-scwrl costs 514.355 real_cost = 315.806 POMYSL_TS1 costs 512.868 real_cost = 315.841 NN_PUT_lab_TS1-scwrl costs 450.243 real_cost = 295.727 NN_PUT_lab_TS1 costs 450.072 real_cost = 297.195 MetaTasser_TS5-scwrl costs 579.851 real_cost = 265.662 MetaTasser_TS5 costs 614.719 real_cost = 269.540 MetaTasser_TS4-scwrl costs 626.379 real_cost = 239.983 MetaTasser_TS4 costs 650.132 real_cost = 246.406 MetaTasser_TS3-scwrl costs 614.852 real_cost = 275.136 MetaTasser_TS3 costs 646.260 real_cost = 267.847 MetaTasser_TS2-scwrl costs 534.747 real_cost = 262.944 MetaTasser_TS2 costs 559.773 real_cost = 251.768 MetaTasser_TS1-scwrl costs 590.860 real_cost = 292.061 MetaTasser_TS1 costs 637.950 real_cost = 297.666 Ma-OPUS-server_TS5-scwrl costs 410.236 real_cost = 212.319 Ma-OPUS-server_TS5 costs 416.835 real_cost = 212.314 Ma-OPUS-server_TS4-scwrl costs 456.288 real_cost = 310.699 Ma-OPUS-server_TS4 costs 461.319 real_cost = 311.597 Ma-OPUS-server_TS3-scwrl costs 428.643 real_cost = 317.956 Ma-OPUS-server_TS3 costs 429.424 real_cost = 317.954 Ma-OPUS-server_TS2-scwrl costs 429.545 real_cost = 296.704 Ma-OPUS-server_TS2 costs 438.898 real_cost = 294.473 Ma-OPUS-server_TS1-scwrl costs 406.978 real_cost = 240.818 Ma-OPUS-server_TS1 costs 411.589 real_cost = 250.153 LOOPP_TS5-scwrl costs 499.234 real_cost = 289.429 LOOPP_TS5 costs 499.846 real_cost = 289.179 LOOPP_TS4-scwrl costs 478.510 real_cost = 309.200 LOOPP_TS4 costs 471.552 real_cost = 309.352 LOOPP_TS3-scwrl costs 432.166 real_cost = 322.738 LOOPP_TS3 costs 435.489 real_cost = 322.557 LOOPP_TS2-scwrl costs 450.972 real_cost = 253.618 LOOPP_TS2 costs 445.662 real_cost = 252.596 LOOPP_TS1-scwrl costs 450.243 real_cost = 295.727 LOOPP_TS1 costs 450.072 real_cost = 297.195 Huber-Torda-Server_TS5-scwrl costs 651.784 real_cost = 336.963 Huber-Torda-Server_TS5 costs 4424.340 real_cost = 352.307 Huber-Torda-Server_TS4-scwrl costs 606.967 real_cost = 295.080 Huber-Torda-Server_TS4 costs 3432.594 real_cost = 320.018 Huber-Torda-Server_TS3-scwrl costs 556.538 real_cost = 289.124 Huber-Torda-Server_TS3 costs 1390.898 real_cost = 317.099 Huber-Torda-Server_TS2-scwrl costs 500.341 real_cost = 277.259 Huber-Torda-Server_TS2 costs 13343.179 real_cost = 308.231 Huber-Torda-Server_TS1-scwrl costs 699.352 real_cost = 366.867 Huber-Torda-Server_TS1 costs 5531.243 real_cost = 388.452 HHpred3_TS1-scwrl costs 608.433 real_cost = 312.755 HHpred3_TS1 costs 617.905 real_cost = 376.264 HHpred2_TS1-scwrl costs 608.433 real_cost = 312.755 HHpred2_TS1 costs 617.905 real_cost = 376.264 HHpred1_TS1-scwrl costs 608.433 real_cost = 312.755 HHpred1_TS1 costs 617.905 real_cost = 376.264 GeneSilicoMetaServer_TS5-scwrl costs 402.495 real_cost = 267.429 GeneSilicoMetaServer_TS5 costs 409.507 real_cost = 269.919 GeneSilicoMetaServer_TS4-scwrl costs 414.098 real_cost = 298.669 GeneSilicoMetaServer_TS4 costs 425.937 real_cost = 298.667 GeneSilicoMetaServer_TS3-scwrl costs 419.934 real_cost = 305.186 GeneSilicoMetaServer_TS3 costs 436.770 real_cost = 305.074 GeneSilicoMetaServer_TS2-scwrl costs 425.893 real_cost = 325.504 GeneSilicoMetaServer_TS2 costs 438.059 real_cost = 328.774 GeneSilicoMetaServer_TS1-scwrl costs 427.502 real_cost = 251.555 GeneSilicoMetaServer_TS1 costs 444.349 real_cost = 255.265 FUNCTION_TS5-scwrl costs 474.266 real_cost = 291.552 FUNCTION_TS5 costs 479.089 real_cost = 297.428 FUNCTION_TS4-scwrl costs 436.745 real_cost = 248.085 FUNCTION_TS4 costs 441.832 real_cost = 252.049 FUNCTION_TS3-scwrl costs 431.349 real_cost = 246.330 FUNCTION_TS3 costs 430.679 real_cost = 237.750 FUNCTION_TS2-scwrl costs 501.069 real_cost = 299.505 FUNCTION_TS2 costs 505.664 real_cost = 300.791 FUNCTION_TS1-scwrl costs 417.101 real_cost = 262.790 FUNCTION_TS1 costs 425.104 real_cost = 267.556 FUGUE_AL5-scwrl costs 545.147 real_cost = 346.106 FUGUE_AL5 costs 3314.888 real_cost = 366.906 FUGUE_AL4-scwrl costs 577.107 real_cost = 307.501 FUGUE_AL4 costs 31710.283 real_cost = 368.427 FUGUE_AL3-scwrl costs 887.150 real_cost = 338.784 FUGUE_AL3 costs 15516.612 real_cost = 338.784 FUGUE_AL2-scwrl costs 489.550 real_cost = 329.002 FUGUE_AL2 costs 4506.712 real_cost = 388.010 FUGUE_AL1-scwrl costs 552.159 real_cost = 274.910 FUGUE_AL1 costs 3278.996 real_cost = 353.702 FUGMOD_TS5-scwrl costs 449.765 real_cost = 261.227 FUGMOD_TS5 costs 464.699 real_cost = 262.575 FUGMOD_TS4-scwrl costs 461.394 real_cost = 283.448 FUGMOD_TS4 costs 475.009 real_cost = 288.998 FUGMOD_TS3-scwrl costs 433.897 real_cost = 263.773 FUGMOD_TS3 costs 447.593 real_cost = 265.320 FUGMOD_TS2-scwrl costs 451.234 real_cost = 323.771 FUGMOD_TS2 costs 454.301 real_cost = 322.073 FUGMOD_TS1-scwrl costs 473.989 real_cost = 263.850 FUGMOD_TS1 costs 488.563 real_cost = 279.022 FPSOLVER-SERVER_TS5-scwrl costs 483.427 real_cost = 273.350 FPSOLVER-SERVER_TS5 costs 483.089 real_cost = 282.639 FPSOLVER-SERVER_TS4-scwrl costs 477.362 real_cost = 318.604 FPSOLVER-SERVER_TS4 costs 480.070 real_cost = 318.673 FPSOLVER-SERVER_TS3-scwrl costs 476.867 real_cost = 317.792 FPSOLVER-SERVER_TS3 costs 476.315 real_cost = 318.579 FPSOLVER-SERVER_TS2-scwrl costs 467.443 real_cost = 321.119 FPSOLVER-SERVER_TS2 costs 470.745 real_cost = 321.032 FPSOLVER-SERVER_TS1-scwrl costs 477.380 real_cost = 317.321 FPSOLVER-SERVER_TS1 costs 480.169 real_cost = 317.150 FORTE2_AL5-scwrl costs 526.721 real_cost = 266.272 FORTE2_AL5 costs 74438.680 real_cost = 324.638 FORTE2_AL4-scwrl costs 664.384 real_cost = 257.751 FORTE2_AL4 costs 9811.143 real_cost = 315.943 FORTE2_AL3-scwrl costs 1062.509 real_cost = 384.976 FORTE2_AL3 costs 4896.570 real_cost = 384.976 FORTE2_AL2-scwrl costs 8517.143 real_cost = 423.198 FORTE2_AL1-scwrl costs 664.284 real_cost = 291.514 FORTE2_AL1 costs 22767.618 real_cost = 351.700 FORTE1_AL5-scwrl costs 526.721 real_cost = 266.272 FORTE1_AL5 costs 74438.680 real_cost = 324.638 FORTE1_AL4-scwrl costs 664.384 real_cost = 257.751 FORTE1_AL4 costs 9811.143 real_cost = 315.943 FORTE1_AL3-scwrl costs 1062.509 real_cost = 384.976 FORTE1_AL3 costs 4896.570 real_cost = 384.976 FORTE1_AL2-scwrl costs 8517.143 real_cost = 423.198 FORTE1_AL1-scwrl costs 664.284 real_cost = 291.514 FORTE1_AL1 costs 22767.618 real_cost = 351.700 FOLDpro_TS5-scwrl costs 433.480 real_cost = 315.314 FOLDpro_TS5 costs 441.050 real_cost = 315.205 FOLDpro_TS4-scwrl costs 438.578 real_cost = 316.738 FOLDpro_TS4 costs 445.853 real_cost = 316.624 FOLDpro_TS3-scwrl costs 431.513 real_cost = 299.275 FOLDpro_TS3 costs 443.953 real_cost = 298.962 FOLDpro_TS2-scwrl costs 440.414 real_cost = 314.823 FOLDpro_TS2 costs 452.125 real_cost = 314.886 FOLDpro_TS1-scwrl costs 440.124 real_cost = 267.826 FOLDpro_TS1 costs 446.125 real_cost = 268.491 FAMS_TS5-scwrl costs 436.745 real_cost = 248.085 FAMS_TS5 costs 441.832 real_cost = 252.049 FAMS_TS4-scwrl costs 460.060 real_cost = 298.850 FAMS_TS4 costs 464.670 real_cost = 298.798 FAMS_TS3-scwrl costs 461.619 real_cost = 303.395 FAMS_TS3 costs 443.478 real_cost = 302.679 FAMS_TS2-scwrl costs 470.424 real_cost = 302.975 FAMS_TS2 costs 454.047 real_cost = 301.960 FAMS_TS1-scwrl costs 444.954 real_cost = 310.096 FAMS_TS1 costs 448.299 real_cost = 310.119 FAMSD_TS5-scwrl costs 492.143 real_cost = 310.106 FAMSD_TS5 costs 498.344 real_cost = 309.789 FAMSD_TS4-scwrl costs 432.947 real_cost = 222.539 FAMSD_TS4 costs 429.738 real_cost = 223.757 FAMSD_TS3-scwrl costs 440.729 real_cost = 252.997 FAMSD_TS3 costs 447.349 real_cost = 250.661 FAMSD_TS2-scwrl costs 488.078 real_cost = 279.071 FAMSD_TS2 costs 469.086 real_cost = 274.303 FAMSD_TS1-scwrl costs 459.299 real_cost = 299.173 FAMSD_TS1 costs 451.637 real_cost = 291.408 Distill_TS5-scwrl costs 1889.421 real_cost = 298.912 Distill_TS4-scwrl costs 1888.904 real_cost = 311.963 Distill_TS3-scwrl costs 1883.754 real_cost = 304.665 Distill_TS2-scwrl costs 1883.472 real_cost = 311.913 Distill_TS1-scwrl costs 1891.095 real_cost = 287.426 CaspIta-FOX_TS5-scwrl costs 669.577 real_cost = 288.652 CaspIta-FOX_TS5 costs 669.937 real_cost = 288.532 CaspIta-FOX_TS4-scwrl costs 635.192 real_cost = 341.472 CaspIta-FOX_TS4 costs 599.582 real_cost = 336.107 CaspIta-FOX_TS3-scwrl costs 518.555 real_cost = 308.719 CaspIta-FOX_TS3 costs 529.521 real_cost = 308.633 CaspIta-FOX_TS2-scwrl costs 608.504 real_cost = 285.236 CaspIta-FOX_TS2 costs 575.505 real_cost = 287.019 CaspIta-FOX_TS1-scwrl costs 585.663 real_cost = 354.832 CaspIta-FOX_TS1 costs 1665.086 real_cost = 336.488 CIRCLE_TS5-scwrl costs 482.032 real_cost = 240.841 CIRCLE_TS5 costs 492.094 real_cost = 237.757 CIRCLE_TS4-scwrl costs 461.619 real_cost = 303.395 CIRCLE_TS4 costs 443.478 real_cost = 302.679 CIRCLE_TS3-scwrl costs 432.610 real_cost = 314.184 CIRCLE_TS3 costs 431.357 real_cost = 313.879 CIRCLE_TS2-scwrl costs 470.424 real_cost = 302.975 CIRCLE_TS2 costs 454.047 real_cost = 301.960 CIRCLE_TS1-scwrl costs 460.060 real_cost = 298.850 CIRCLE_TS1 costs 464.670 real_cost = 298.798 Bilab-ENABLE_TS5-scwrl costs 432.945 real_cost = 313.194 Bilab-ENABLE_TS5 costs 432.945 real_cost = 313.194 Bilab-ENABLE_TS4-scwrl costs 432.404 real_cost = 315.202 Bilab-ENABLE_TS4 costs 432.404 real_cost = 315.202 Bilab-ENABLE_TS3-scwrl costs 430.061 real_cost = 315.787 Bilab-ENABLE_TS3 costs 430.061 real_cost = 315.787 Bilab-ENABLE_TS2-scwrl costs 432.250 real_cost = 307.156 Bilab-ENABLE_TS2 costs 432.250 real_cost = 307.156 Bilab-ENABLE_TS1-scwrl costs 435.857 real_cost = 310.322 Bilab-ENABLE_TS1 costs 435.857 real_cost = 310.322 BayesHH_TS1-scwrl costs 483.236 real_cost = 318.620 BayesHH_TS1 costs 494.728 real_cost = 318.545 ABIpro_TS5-scwrl costs 510.093 real_cost = 282.540 ABIpro_TS5 costs 510.093 real_cost = 282.540 ABIpro_TS4-scwrl costs 523.824 real_cost = 298.340 ABIpro_TS4 costs 523.824 real_cost = 298.340 ABIpro_TS3-scwrl costs 470.073 real_cost = 242.646 ABIpro_TS3 costs 470.073 real_cost = 242.646 ABIpro_TS2-scwrl costs 441.160 real_cost = 283.573 ABIpro_TS2 costs 441.160 real_cost = 283.573 ABIpro_TS1-scwrl costs 471.267 real_cost = 260.519 ABIpro_TS1 costs 471.267 real_cost = 260.519 3Dpro_TS5-scwrl costs 440.868 real_cost = 315.237 3Dpro_TS5 costs 451.460 real_cost = 314.908 3Dpro_TS4-scwrl costs 434.510 real_cost = 297.303 3Dpro_TS4 costs 449.232 real_cost = 297.108 3Dpro_TS3-scwrl costs 441.160 real_cost = 283.573 3Dpro_TS3 costs 441.160 real_cost = 283.573 3Dpro_TS2-scwrl costs 449.588 real_cost = 314.273 3Dpro_TS2 costs 458.752 real_cost = 313.990 3Dpro_TS1-scwrl costs 471.267 real_cost = 260.519 3Dpro_TS1 costs 471.267 real_cost = 260.519 3D-JIGSAW_TS5-scwrl costs 558.036 real_cost = 231.286 3D-JIGSAW_TS5 costs 511.930 real_cost = 242.106 3D-JIGSAW_TS4-scwrl costs 570.462 real_cost = 250.039 3D-JIGSAW_TS4 costs 530.872 real_cost = 257.724 3D-JIGSAW_TS3-scwrl costs 651.974 real_cost = 347.496 3D-JIGSAW_TS3 costs 623.154 real_cost = 330.127 3D-JIGSAW_TS2-scwrl costs 484.629 real_cost = 249.601 3D-JIGSAW_TS2 costs 493.172 real_cost = 257.814 3D-JIGSAW_TS1-scwrl costs 595.281 real_cost = 321.001 3D-JIGSAW_TS1 costs 608.244 real_cost = 320.722 3D-JIGSAW_RECOM_TS5-scwrl costs 572.501 real_cost = 210.331 3D-JIGSAW_RECOM_TS5 costs 535.794 real_cost = 214.674 3D-JIGSAW_RECOM_TS4-scwrl costs 571.851 real_cost = 211.024 3D-JIGSAW_RECOM_TS4 costs 535.404 real_cost = 214.639 3D-JIGSAW_RECOM_TS3-scwrl costs 525.848 real_cost = 259.511 3D-JIGSAW_RECOM_TS3 costs 507.170 real_cost = 257.856 3D-JIGSAW_RECOM_TS2-scwrl costs 488.125 real_cost = 248.501 3D-JIGSAW_RECOM_TS2 costs 501.174 real_cost = 255.899 3D-JIGSAW_RECOM_TS1-scwrl costs 559.734 real_cost = 205.336 3D-JIGSAW_RECOM_TS1 costs 521.551 real_cost = 217.894 3D-JIGSAW_POPULUS_TS5-scwrl costs 455.628 real_cost = 233.349 3D-JIGSAW_POPULUS_TS5 costs 455.628 real_cost = 233.349 3D-JIGSAW_POPULUS_TS4-scwrl costs 478.289 real_cost = 318.123 3D-JIGSAW_POPULUS_TS4 costs 478.289 real_cost = 318.123 3D-JIGSAW_POPULUS_TS3-scwrl costs 483.201 real_cost = 308.132 3D-JIGSAW_POPULUS_TS3 costs 483.201 real_cost = 308.132 3D-JIGSAW_POPULUS_TS2-scwrl costs 449.387 real_cost = 301.355 3D-JIGSAW_POPULUS_TS2 costs 449.387 real_cost = 301.355 3D-JIGSAW_POPULUS_TS1-scwrl costs 464.605 real_cost = 286.720 3D-JIGSAW_POPULUS_TS1 costs 464.605 real_cost = 286.720 chimera4.pdb.gz costs 392.043 real_cost = 243.894 chimera3.pdb.gz costs 455.265 real_cost = 238.131 chimera2.pdb.gz costs 458.263 real_cost = 243.016 chimera1.pdb.gz costs 398.598 real_cost = 243.274 T0309.try9-opt2.repack-nonPC.pdb.gz costs 345.461 real_cost = 249.664 T0309.try9-opt2.pdb.gz costs 340.180 real_cost = 249.588 T0309.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 353.658 real_cost = 255.750 T0309.try9-opt2.gromacs0.pdb.gz costs 351.500 real_cost = 253.753 T0309.try9-opt1.pdb.gz costs 342.412 real_cost = 250.368 T0309.try9-opt1.gromacs0.repack-nonPC.pdb.gz costs 355.215 real_cost = 255.692 T0309.try9-opt1.gromacs0.pdb.gz costs 352.982 real_cost = 253.061 T0309.try9-opt1-scwrl.pdb.gz costs 350.526 real_cost = 251.514 T0309.try8-opt2.repack-nonPC.pdb.gz costs 345.864 real_cost = 254.136 T0309.try8-opt2.pdb.gz costs 339.466 real_cost = 252.021 T0309.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 355.130 real_cost = 259.233 T0309.try8-opt2.gromacs0.pdb.gz costs 351.894 real_cost = 254.334 T0309.try8-opt1.pdb.gz costs 341.777 real_cost = 251.520 T0309.try8-opt1-scwrl.pdb.gz costs 347.436 real_cost = 250.795 T0309.try7-opt2.repack-nonPC.pdb.gz costs 333.787 real_cost = 247.786 T0309.try7-opt2.pdb.gz costs 328.506 real_cost = 243.413 T0309.try7-opt2.gromacs0.pdb.gz costs 349.147 real_cost = 243.112 T0309.try7-opt1.pdb.gz costs 331.237 real_cost = 237.836 T0309.try7-opt1-scwrl.pdb.gz costs 338.369 real_cost = 238.808 T0309.try6-opt2.repack-nonPC.pdb.gz costs 330.501 real_cost = 238.451 T0309.try6-opt2.pdb.gz costs 326.753 real_cost = 238.662 T0309.try6-opt2.gromacs0.pdb.gz costs 355.375 real_cost = 243.647 T0309.try6-opt1.pdb.gz costs 333.264 real_cost = 236.471 T0309.try6-opt1-scwrl.pdb.gz costs 338.266 real_cost = 237.531 T0309.try5-opt2.repack-nonPC.pdb.gz costs 336.678 real_cost = 240.716 T0309.try5-opt2.pdb.gz costs 329.553 real_cost = 240.498 T0309.try5-opt2.gromacs0.pdb.gz costs 351.646 real_cost = 247.612 T0309.try5-opt1.pdb.gz costs 334.915 real_cost = 238.873 T0309.try5-opt1-scwrl.pdb.gz costs 340.773 real_cost = 239.181 T0309.try4-opt2.repack-nonPC.pdb.gz costs 345.490 real_cost = 238.619 T0309.try4-opt2.pdb.gz costs 340.295 real_cost = 239.205 T0309.try4-opt2.gromacs0.pdb.gz costs 364.828 real_cost = 245.335 T0309.try4-opt1.pdb.gz costs 343.921 real_cost = 237.666 T0309.try4-opt1-scwrl.pdb.gz costs 349.615 real_cost = 237.968 T0309.try3-opt2.repack-nonPC.pdb.gz costs 350.970 real_cost = 239.480 T0309.try3-opt2.pdb.gz costs 344.227 real_cost = 241.069 T0309.try3-opt2.gromacs0.pdb.gz costs 377.736 real_cost = 248.121 T0309.try3-opt1.pdb.gz costs 349.237 real_cost = 246.521 T0309.try3-opt1-scwrl.pdb.gz costs 361.052 real_cost = 246.272 T0309.try2-opt2.repack-nonPC.pdb.gz costs 363.175 real_cost = 239.559 T0309.try2-opt2.pdb.gz costs 357.029 real_cost = 241.965 T0309.try2-opt2.gromacs0.pdb.gz costs 405.764 real_cost = 249.758 T0309.try2-opt1.pdb.gz costs 360.039 real_cost = 243.060 T0309.try2-opt1-scwrl.pdb.gz costs 369.303 real_cost = 242.356 T0309.try10-opt2.repack-nonPC.pdb.gz costs 341.637 real_cost = 253.716 T0309.try10-opt2.pdb.gz costs 338.777 real_cost = 253.531 T0309.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 350.977 real_cost = 255.235 T0309.try10-opt2.gromacs0.pdb.gz costs 349.379 real_cost = 254.618 T0309.try10-opt1.pdb.gz costs 342.334 real_cost = 251.733 T0309.try10-opt1-scwrl.pdb.gz costs 349.021 real_cost = 251.503 T0309.try1-opt2.repack-nonPC.pdb.gz costs 342.019 real_cost = 248.383 T0309.try1-opt2.pdb.gz costs 336.959 real_cost = 249.061 T0309.try1-opt2.gromacs0.pdb.gz costs 364.482 real_cost = 241.391 T0309.try1-opt1.pdb.gz costs 342.281 real_cost = 246.819 T0309.try1-opt1-scwrl.pdb.gz costs 348.544 real_cost = 245.251 ../model5.ts-submitted costs 357.307 real_cost = 242.349 ../model4.ts-submitted costs 340.343 real_cost = 239.264 ../model3.ts-submitted costs 344.285 real_cost = 241.068 ../model2.ts-submitted costs 328.512 real_cost = 243.459 ../model1.ts-submitted costs 341.224 real_cost = 253.571 align5 costs 760.648 real_cost = 255.420 align4 costs 707.579 real_cost = 238.233 align3 costs 681.961 real_cost = 275.896 align2 costs 773.818 real_cost = 202.552 align1 costs 680.351 real_cost = 227.898 T0309.try1-opt2.pdb costs 336.959 real_cost = 249.087 model5-scwrl costs 367.031 real_cost = 240.840 model5.ts-submitted costs 357.307 real_cost = 242.349 model4-scwrl costs 346.510 real_cost = 239.953 model4.ts-submitted costs 340.343 real_cost = 239.264 model3-scwrl costs 355.320 real_cost = 243.937 model3.ts-submitted costs 344.285 real_cost = 241.068 model2-scwrl costs 335.893 real_cost = 244.326 model2.ts-submitted costs 328.512 real_cost = 243.459 model1-scwrl costs 350.858 real_cost = 253.463 model1.ts-submitted costs 341.224 real_cost = 253.571 2h4oA costs 555.859 real_cost = -871.600 # command:CPU_time= 90.375 sec, elapsed time= 402.807 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/T0309'