# command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading dunbrack-2191.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 53157 examples # computed average trans backbone unit before proline from 2010 examples # computed average cis backbone unit from 97 examples # trans (non-proline) backbone unit: # CA= -2.2087 1.0126 -0.0030 # O= -0.1499 2.2440 0.0016 # C= -0.6889 1.1368 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 -0.0000 0.0000 # cis backbone unit: # CA= -0.1436 2.4534 -0.0002 # O= -2.0284 0.9742 0.0015 # C= -0.8018 1.0771 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4668 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2100 1.0631 -0.0014 # O= -0.1236 2.2458 0.0075 # C= -0.6872 1.1517 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading dunbrack-2191.atoms have 2191 chains in training database # Count of chains,residues,atoms: 2191,500310,3902258 # 493341 residues have no bad marker # 3226 residues lack atoms needed to compute omega # 1453 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 4 # HAS_OXT 1167 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 3052 # HAS_UNKNOWN_ATOMS 9 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 979 # NON_PLANAR_PEPTIDE 888 # BAD_PEPTIDE 2680 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-2191.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:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0367/ # command:# Making conformation for sequence T0367 numbered 1 through 125 Created new target T0367 from T0367.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0367/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0367//projects/compbio/experiments/protein-predict/casp7/T0367/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0367//projects/compbio/experiments/protein-predict/casp7/T0367/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0367/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0367/align.constraints_v3.costfcn # future Constraint commands -> align # future HelixConstraint commands -> align # future StrandConstraint commands -> align # future SheetConstraint commands -> align # future Hbond commands -> align # future SSbond commands -> align # Constraint # added constraint: constraint((T0367)E21.CB, (T0367)C30.CB) [> 2.4435 = 4.0725 < 5.2942] w=1.0000 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)C30.CB) [> 3.1571 = 5.2618 < 6.8403] w=0.9242 to align # Constraint # added constraint: constraint((T0367)E21.CB, (T0367)T33.CB) [> 3.6498 = 6.0831 < 7.9080] w=0.9181 to align # Constraint # added constraint: constraint((T0367)L14.CB, (T0367)T33.CB) [> 3.3927 = 5.6546 < 7.3509] w=0.8997 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)A34.CB) [> 3.0215 = 5.0359 < 6.5467] w=0.8968 to align # Constraint # added constraint: constraint((T0367)L14.CB, (T0367)A37.CB) [> 2.5067 = 4.1778 < 5.4311] w=0.8816 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)A37.CB) [> 3.1475 = 5.2458 < 6.8195] w=0.8713 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)T33.CB) [> 2.2786 = 3.7977 < 4.9370] w=0.8452 to align # Constraint # added constraint: constraint((T0367)D17.CB, (T0367)T33.CB) [> 2.8844 = 4.8073 < 6.2495] w=0.8452 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)A37.CB) [> 2.8483 = 4.7472 < 6.1714] w=0.8452 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)H40.CB) [> 2.5545 = 4.2575 < 5.5347] w=0.8146 to align # Constraint # added constraint: constraint((T0367)L14.CB, (T0367)Y36.CB) [> 2.8749 = 4.7916 < 6.2291] w=0.7953 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)A37.CB) [> 3.6276 = 6.0460 < 7.8598] w=0.7953 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)A103.CB) [> 2.8566 = 4.7611 < 6.1894] w=0.7376 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)I106.CB) [> 3.0269 = 5.0449 < 6.5583] w=0.7220 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)L107.CB) [> 3.8092 = 6.3486 < 8.2532] w=0.7078 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)A41.CB) [> 2.6508 = 4.4180 < 5.7434] w=0.6929 to align # Constraint # added constraint: constraint((T0367)A34.CB, (T0367)A110.CB) [> 2.7400 = 4.5667 < 5.9367] w=0.6896 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)A103.CB) [> 3.5710 = 5.9517 < 7.7372] w=0.6896 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)V114.CB) [> 3.7648 = 6.2747 < 8.1571] w=0.6873 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)A34.CB) [> 4.1959 = 6.9931 < 9.0910] w=0.6871 to align # Constraint # added constraint: constraint((T0367)L14.CB, (T0367)A34.CB) [> 4.5262 = 7.5436 < 9.8067] w=0.6871 to align # Constraint # added constraint: constraint((T0367)A34.CB, (T0367)I106.CB) [> 3.0438 = 5.0730 < 6.5949] w=0.6856 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)A117.CB) [> 2.8172 = 4.6954 < 6.1040] w=0.6837 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)C31.CB) [> 4.6048 = 7.6747 < 9.9771] w=0.6655 to align # Constraint # added constraint: constraint((T0367)K19.CB, (T0367)C30.CB) [> 4.5200 = 7.5333 < 9.7934] w=0.6341 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)T33.CB) [> 4.4256 = 7.3760 < 9.5888] w=0.6341 to align # Constraint # added constraint: constraint((T0367)I63.CB, (T0367)L72.CB) [> 2.9813 = 4.9688 < 6.4594] w=0.6251 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)F113.CB) [> 2.9944 = 4.9907 < 6.4879] w=0.6208 to align # Constraint # added constraint: constraint((T0367)M45.CB, (T0367)A120.CB) [> 3.6641 = 6.1068 < 7.9388] w=0.6193 to align # Constraint # added constraint: constraint((T0367)I60.CB, (T0367)S81.CB) [> 3.3421 = 5.5702 < 7.2412] w=0.6114 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)A117.CB) [> 4.4925 = 7.4875 < 9.7337] w=0.6086 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)I63.CB) [> 3.6673 = 6.1122 < 7.9458] w=0.6081 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)T59.CB) [> 3.3375 = 5.5626 < 7.2313] w=0.6018 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)M38.CB) [> 4.4014 = 7.3357 < 9.5364] w=0.5962 to align # Constraint # added constraint: constraint((T0367)S53.CB, (T0367)L62.CB) [> 3.1775 = 5.2958 < 6.8846] w=0.5877 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)L62.CB) [> 3.1371 = 5.2284 < 6.7970] w=0.5869 to align # Constraint # added constraint: constraint((T0367)A18.CB, (T0367)L107.CB) [> 3.2688 = 5.4481 < 7.0825] w=0.5838 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)E111.CB) [> 3.8514 = 6.4189 < 8.3446] w=0.5838 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)F113.CB) [> 3.5519 = 5.9199 < 7.6958] w=0.5711 to align # Constraint # added constraint: constraint((T0367)I60.CB, (T0367)C77.CB) [> 3.6286 = 6.0476 < 7.8619] w=0.5698 to align # Constraint # added constraint: constraint((T0367)M45.CB, (T0367)A117.CB) [> 3.0656 = 5.1094 < 6.6422] w=0.5602 to align # Constraint # added constraint: constraint((T0367)L46.CB, (T0367)L62.CB) [> 3.8070 = 6.3449 < 8.2484] w=0.5522 to align # Constraint # added constraint: constraint((T0367)V15.CB, (T0367)A110.CB) [> 3.4137 = 5.6895 < 7.3963] w=0.5475 to align # Constraint # added constraint: constraint((T0367)F39.CB, (T0367)H56.CB) [> 3.7535 = 6.2558 < 8.1326] w=0.5451 to align # Constraint # added constraint: constraint((T0367)R7.CB, (T0367)A44.CB) [> 2.2797 = 3.7995 < 4.9394] w=0.5433 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)A117.CB) [> 3.7497 = 6.2495 < 8.1243] w=0.5402 to align # Constraint # added constraint: constraint((T0367)A34.CB, (T0367)L107.CB) [> 3.2169 = 5.3615 < 6.9700] w=0.5399 to align # Constraint # added constraint: constraint((T0367)I63.CB, (T0367)C77.CB) [> 3.7755 = 6.2926 < 8.1803] w=0.5377 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)T59.CB) [> 2.9414 = 4.9023 < 6.3730] w=0.5368 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)A103.CB) [> 4.4677 = 7.4462 < 9.6800] w=0.5367 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)A41.CB) [> 3.8934 = 6.4891 < 8.4358] w=0.5272 to align # Constraint # added constraint: constraint((T0367)R7.CB, (T0367)A41.CB) [> 4.1816 = 6.9693 < 9.0601] w=0.5272 to align # Constraint # added constraint: constraint((T0367)E12.CB, (T0367)V114.CB) [> 4.0701 = 6.7835 < 8.8185] w=0.5217 to align # Constraint # added constraint: constraint((T0367)F22.CB, (T0367)A103.CB) [> 3.0994 = 5.1657 < 6.7154] w=0.5210 to align # Constraint # added constraint: constraint((T0367)L80.CB, (T0367)F113.CB) [> 4.2623 = 7.1038 < 9.2349] w=0.5202 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)V114.CB) [> 3.3307 = 5.5511 < 7.2165] w=0.5134 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)K118.CB) [> 4.2524 = 7.0873 < 9.2135] w=0.5134 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)A117.CB) [> 4.2213 = 7.0355 < 9.1462] w=0.5134 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)H40.CB) [> 4.4296 = 7.3826 < 9.5974] w=0.5087 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)S99.CB) [> 3.1904 = 5.3173 < 6.9125] w=0.5068 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)A103.CB) [> 2.5607 = 4.2678 < 5.5481] w=0.5065 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)A110.CB) [> 2.9618 = 4.9364 < 6.4173] w=0.5035 to align # Constraint # added constraint: constraint((T0367)F22.CB, (T0367)L107.CB) [> 3.8587 = 6.4312 < 8.3606] w=0.5035 to align # Constraint # added constraint: constraint((T0367)A44.CB, (T0367)A117.CB) [> 3.7879 = 6.3132 < 8.2071] w=0.4980 to align # Constraint # added constraint: constraint((T0367)F22.CB, (T0367)I104.CB) [> 4.1467 = 6.9112 < 8.9846] w=0.4952 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)K100.CB) [> 3.5273 = 5.8789 < 7.6426] w=0.4930 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)I106.CB) [> 3.8403 = 6.4005 < 8.3207] w=0.4912 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)L102.CB) [> 3.7655 = 6.2759 < 8.1586] w=0.4912 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)V114.CB) [> 2.7836 = 4.6393 < 6.0311] w=0.4886 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)F113.CB) [> 3.9578 = 6.5963 < 8.5752] w=0.4846 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)A110.CB) [> 4.6299 = 7.7165 < 10.0315] w=0.4831 to align # Constraint # added constraint: constraint((T0367)A37.CB, (T0367)F113.CB) [> 4.5782 = 7.6303 < 9.9194] w=0.4770 to align # Constraint # added constraint: constraint((T0367)K10.CB, (T0367)H40.CB) [> 2.7969 = 4.6615 < 6.0599] w=0.4758 to align # Constraint # added constraint: constraint((T0367)R7.CB, (T0367)L47.CB) [> 3.6650 = 6.1084 < 7.9409] w=0.4750 to align # Constraint # added constraint: constraint((T0367)R7.CB, (T0367)K43.CB) [> 3.0305 = 5.0509 < 6.5662] w=0.4750 to align # Constraint # added constraint: constraint((T0367)G25.CA, (T0367)K100.CB) [> 4.3739 = 7.2899 < 9.4768] w=0.4588 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)L102.CB) [> 3.9338 = 6.5563 < 8.5232] w=0.4588 to align # Constraint # added constraint: constraint((T0367)A34.CB, (T0367)A103.CB) [> 4.6124 = 7.6874 < 9.9936] w=0.4588 to align # Constraint # added constraint: constraint((T0367)Y35.CB, (T0367)I106.CB) [> 4.4217 = 7.3695 < 9.5804] w=0.4588 to align # Constraint # added constraint: constraint((T0367)Y35.CB, (T0367)A110.CB) [> 4.3906 = 7.3177 < 9.5130] w=0.4588 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)D109.CB) [> 4.2063 = 7.0105 < 9.1136] w=0.4588 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)K118.CB) [> 4.7198 = 7.8663 < 10.2262] w=0.4588 to align # Constraint # added constraint: constraint((T0367)D76.CB, (T0367)K116.CB) [> 3.5947 = 5.9913 < 7.7886] w=0.4421 to align # Constraint # added constraint: constraint((T0367)A42.CB, (T0367)S53.CB) [> 4.3028 = 7.1714 < 9.3228] w=0.4381 to align # Constraint # added constraint: constraint((T0367)D76.CB, (T0367)F113.CB) [> 3.7688 = 6.2814 < 8.1658] w=0.4379 to align # Constraint # added constraint: constraint((T0367)I60.CB, (T0367)L80.CB) [> 3.1615 = 5.2691 < 6.8498] w=0.4260 to align # Constraint # added constraint: constraint((T0367)A83.CB, (T0367)I106.CB) [> 3.6687 = 6.1144 < 7.9488] w=0.4228 to align # Constraint # added constraint: constraint((T0367)D17.CB, (T0367)A37.CB) [> 4.6582 = 7.7636 < 10.0927] w=0.4216 to align # Constraint # added constraint: constraint((T0367)S73.CB, (T0367)K116.CB) [> 4.3763 = 7.2939 < 9.4820] w=0.4197 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)L80.CB) [> 3.6429 = 6.0715 < 7.8929] w=0.4197 to align # Constraint # added constraint: constraint((T0367)F39.CB, (T0367)L62.CB) [> 3.9356 = 6.5593 < 8.5271] w=0.4188 to align # Constraint # added constraint: constraint((T0367)L80.CB, (T0367)D109.CB) [> 4.0523 = 6.7538 < 8.7799] w=0.4114 to align # Constraint # added constraint: constraint((T0367)K43.CB, (T0367)L62.CB) [> 3.9481 = 6.5801 < 8.5541] w=0.4079 to align # Constraint # added constraint: constraint((T0367)K79.CB, (T0367)D109.CB) [> 2.7468 = 4.5779 < 5.9513] w=0.3932 to align # Constraint # added constraint: constraint((T0367)L46.CB, (T0367)T59.CB) [> 3.6110 = 6.0183 < 7.8238] w=0.3845 to align # Constraint # added constraint: constraint((T0367)I60.CB, (T0367)F84.CB) [> 3.6645 = 6.1076 < 7.9398] w=0.3731 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)Y36.CB) [> 4.6414 = 7.7356 < 10.0563] w=0.3731 to align # Constraint # added constraint: constraint((T0367)F22.CB, (T0367)K100.CB) [> 4.0039 = 6.6731 < 8.6751] w=0.3681 to align # Constraint # added constraint: constraint((T0367)Y35.CB, (T0367)T59.CB) [> 4.1944 = 6.9906 < 9.0878] w=0.3654 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)F39.CB) [> 4.6997 = 7.8328 < 10.1827] w=0.3544 to align # Constraint # added constraint: constraint((T0367)Y35.CB, (T0367)F84.CB) [> 3.8289 = 6.3814 < 8.2959] w=0.3541 to align # Constraint # added constraint: constraint((T0367)L46.CB, (T0367)C66.CB) [> 4.2936 = 7.1560 < 9.3028] w=0.3434 to align # Constraint # added constraint: constraint((T0367)L4.CB, (T0367)A44.CB) [> 2.9167 = 4.8611 < 6.3195] w=0.3423 to align # Constraint # added constraint: constraint((T0367)Y35.CB, (T0367)A83.CB) [> 2.7955 = 4.6591 < 6.0568] w=0.3423 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)I63.CB) [> 3.5766 = 5.9609 < 7.7492] w=0.3247 to align # Constraint # added constraint: constraint((T0367)I63.CB, (T0367)D76.CB) [> 3.9088 = 6.5147 < 8.4692] w=0.3219 to align # Constraint # added constraint: constraint((T0367)M45.CB, (T0367)L70.CB) [> 4.6866 = 7.8110 < 10.1542] w=0.3210 to align # Constraint # added constraint: constraint((T0367)T59.CB, (T0367)F113.CB) [> 4.1961 = 6.9934 < 9.0915] w=0.3059 to align # Constraint # added constraint: constraint((T0367)L4.CB, (T0367)L47.CB) [> 2.7735 = 4.6225 < 6.0093] w=0.3059 to align # Constraint # added constraint: constraint((T0367)L4.CB, (T0367)G48.CA) [> 2.6738 = 4.4563 < 5.7933] w=0.3059 to align # Constraint # added constraint: constraint((T0367)E5.CB, (T0367)A44.CB) [> 4.5814 = 7.6357 < 9.9264] w=0.3059 to align # Constraint # added constraint: constraint((T0367)K79.CB, (T0367)I112.CB) [> 3.6068 = 6.0113 < 7.8146] w=0.3038 to align # Constraint # added constraint: constraint((T0367)A83.CB, (T0367)F113.CB) [> 3.9461 = 6.5768 < 8.5498] w=0.3027 to align # Constraint # added constraint: constraint((T0367)A83.CB, (T0367)A110.CB) [> 4.0015 = 6.6692 < 8.6700] w=0.3007 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)V98.CB) [> 2.4673 = 4.1122 < 5.3458] w=0.2913 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)I60.CB) [> 3.9334 = 6.5556 < 8.5223] w=0.2794 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)H56.CB) [> 4.4821 = 7.4702 < 9.7112] w=0.2770 to align # Constraint # added constraint: constraint((T0367)A44.CB, (T0367)V121.CB) [> 3.9834 = 6.6391 < 8.6308] w=0.2677 to align # Constraint # added constraint: constraint((T0367)M45.CB, (T0367)C66.CB) [> 3.9210 = 6.5349 < 8.4954] w=0.2633 to align # Constraint # added constraint: constraint((T0367)L72.CB, (T0367)K116.CB) [> 4.2911 = 7.1519 < 9.2975] w=0.2585 to align # Constraint # added constraint: constraint((T0367)W64.CB, (T0367)S73.CB) [> 4.1917 = 6.9862 < 9.0821] w=0.2550 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)V98.CB) [> 3.5772 = 5.9620 < 7.7506] w=0.2549 to align # Constraint # added constraint: constraint((T0367)L70.CB, (T0367)A120.CB) [> 3.5709 = 5.9515 < 7.7370] w=0.2549 to align # Constraint # added constraint: constraint((T0367)L46.CB, (T0367)E65.CB) [> 4.5304 = 7.5507 < 9.8160] w=0.2549 to align # Constraint # added constraint: constraint((T0367)F39.CB, (T0367)F84.CB) [> 4.4933 = 7.4888 < 9.7354] w=0.2489 to align # Constraint # added constraint: constraint((T0367)M45.CB, (T0367)T59.CB) [> 3.6133 = 6.0221 < 7.8288] w=0.2401 to align # Constraint # added constraint: constraint((T0367)Y49.CB, (T0367)L70.CB) [> 4.0050 = 6.6750 < 8.6775] w=0.2329 to align # Constraint # added constraint: constraint((T0367)S90.CB, (T0367)A103.CB) [> 3.5871 = 5.9785 < 7.7720] w=0.2320 to align # Constraint # added constraint: constraint((T0367)C77.CB, (T0367)F113.CB) [> 3.8874 = 6.4789 < 8.4226] w=0.2229 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)R87.CB) [> 4.1237 = 6.8728 < 8.9346] w=0.2183 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)G58.CA) [> 3.7015 = 6.1692 < 8.0199] w=0.2149 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)L86.CB) [> 3.1592 = 5.2654 < 6.8450] w=0.2075 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)A83.CB) [> 2.9878 = 4.9797 < 6.4736] w=0.2075 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)S90.CB) [> 3.4755 = 5.7925 < 7.5302] w=0.1990 to align # Constraint # added constraint: constraint((T0367)S90.CB, (T0367)I106.CB) [> 3.6209 = 6.0349 < 7.8453] w=0.1931 to align # Constraint # added constraint: constraint((T0367)L4.CB, (T0367)M45.CB) [> 4.3270 = 7.2117 < 9.3752] w=0.1893 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)L86.CB) [> 2.6809 = 4.4682 < 5.8087] w=0.1883 to align # Constraint # added constraint: constraint((T0367)C66.CB, (T0367)F113.CB) [> 4.0690 = 6.7816 < 8.8161] w=0.1859 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)V98.CB) [> 4.1820 = 6.9700 < 9.0611] w=0.1853 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)A110.CB) [> 3.5314 = 5.8857 < 7.6514] w=0.1679 to align # Constraint # added constraint: constraint((T0367)S73.CB, (T0367)F113.CB) [> 4.5490 = 7.5817 < 9.8562] w=0.1648 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)V121.CB) [> 4.2331 = 7.0552 < 9.1718] w=0.1646 to align # Constraint # added constraint: constraint((T0367)I94.CB, (T0367)A103.CB) [> 4.1582 = 6.9303 < 9.0094] w=0.1596 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)I63.CB) [> 3.9715 = 6.6191 < 8.6049] w=0.1569 to align # Constraint # added constraint: constraint((T0367)R67.CB, (T0367)C77.CB) [> 3.9787 = 6.6312 < 8.6205] w=0.1549 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)V121.CB) [> 4.1500 = 6.9167 < 8.9917] w=0.1529 to align # Constraint # added constraint: constraint((T0367)R82.CB, (T0367)K105.CB) [> 4.3535 = 7.2558 < 9.4326] w=0.1529 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)A83.CB) [> 3.2903 = 5.4839 < 7.1290] w=0.1529 to align # Constraint # added constraint: constraint((T0367)K10.CB, (T0367)Y36.CB) [> 4.7176 = 7.8627 < 10.2215] w=0.1529 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)A110.CB) [> 4.7574 = 7.9289 < 10.3076] w=0.1529 to align # Constraint # added constraint: constraint((T0367)T33.CB, (T0367)A110.CB) [> 4.7076 = 7.8460 < 10.1998] w=0.1529 to align # Constraint # added constraint: constraint((T0367)Y49.CB, (T0367)C66.CB) [> 4.2338 = 7.0564 < 9.1733] w=0.1519 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)V121.CB) [> 3.1381 = 5.2302 < 6.7992] w=0.1498 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)A110.CB) [> 4.7435 = 7.9058 < 10.2776] w=0.1498 to align # Constraint # added constraint: constraint((T0367)H56.CB, (T0367)S81.CB) [> 4.1774 = 6.9623 < 9.0510] w=0.1466 to align # Constraint # added constraint: constraint((T0367)G93.CA, (T0367)A103.CB) [> 2.8847 = 4.8078 < 6.2501] w=0.1458 to align # Constraint # added constraint: constraint((T0367)K43.CB, (T0367)T59.CB) [> 3.5298 = 5.8830 < 7.6479] w=0.1453 to align # Constraint # added constraint: constraint((T0367)I60.CB, (T0367)A110.CB) [> 2.3142 = 3.8570 < 5.0141] w=0.1447 to align # Constraint # added constraint: constraint((T0367)G58.CA, (T0367)A110.CB) [> 3.6449 = 6.0748 < 7.8972] w=0.1447 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)A120.CB) [> 4.5495 = 7.5825 < 9.8572] w=0.1438 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)R67.CB) [> 4.1307 = 6.8845 < 8.9499] w=0.1409 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)H56.CB) [> 4.0582 = 6.7638 < 8.7929] w=0.1326 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)L70.CB) [> 3.1543 = 5.2572 < 6.8343] w=0.1326 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)L62.CB) [> 4.5662 = 7.6104 < 9.8935] w=0.1326 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)C66.CB) [> 2.7592 = 4.5986 < 5.9782] w=0.1326 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)K43.CB) [> 4.6041 = 7.6736 < 9.9756] w=0.1318 to align # Constraint # added constraint: constraint((T0367)L86.CB, (T0367)L102.CB) [> 4.2844 = 7.1407 < 9.2829] w=0.1235 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)R87.CB) [> 4.3115 = 7.1858 < 9.3415] w=0.1201 to align # Constraint # added constraint: constraint((T0367)Y61.CB, (T0367)A120.CB) [> 4.3318 = 7.2197 < 9.3855] w=0.1152 to align # Constraint # added constraint: constraint((T0367)I94.CB, (T0367)I106.CB) [> 3.6796 = 6.1327 < 7.9725] w=0.1125 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)D76.CB) [> 3.3167 = 5.5278 < 7.1862] w=0.1020 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)Y92.CB) [> 3.0605 = 5.1008 < 6.6310] w=0.1020 to align # Constraint # added constraint: constraint((T0367)R29.CB, (T0367)L86.CB) [> 4.1481 = 6.9135 < 8.9875] w=0.1020 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)L86.CB) [> 2.5274 = 4.2123 < 5.4760] w=0.1020 to align # Constraint # added constraint: constraint((T0367)L26.CB, (T0367)S99.CB) [> 3.5927 = 5.9878 < 7.7841] w=0.0956 to align # Constraint # added constraint: constraint((T0367)Y95.CB, (T0367)I106.CB) [> 4.1826 = 6.9710 < 9.0623] w=0.0898 to align # Constraint # added constraint: constraint((T0367)E28.CB, (T0367)Y95.CB) [> 3.4673 = 5.7789 < 7.5125] w=0.0874 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)I94.CB) [> 4.2165 = 7.0274 < 9.1357] w=0.0853 to align # Constraint # added constraint: constraint((T0367)W64.CB, (T0367)V121.CB) [> 4.6914 = 7.8190 < 10.1648] w=0.0828 to align # Constraint # added constraint: constraint((T0367)L47.CB, (T0367)A83.CB) [> 4.3119 = 7.1865 < 9.3425] w=0.0775 to align # Constraint # added constraint: constraint((T0367)Y49.CB, (T0367)V98.CB) [> 4.0770 = 6.7950 < 8.8335] w=0.0754 to align # Constraint # added constraint: constraint((T0367)Y92.CB, (T0367)A103.CB) [> 3.4219 = 5.7031 < 7.4141] w=0.0717 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)S73.CB) [> 3.8786 = 6.4644 < 8.4037] w=0.0714 to align # Constraint # added constraint: constraint((T0367)L26.CB, (T0367)V98.CB) [> 3.8650 = 6.4417 < 8.3742] w=0.0694 to align # Constraint # added constraint: constraint((T0367)C31.CB, (T0367)I94.CB) [> 3.2812 = 5.4687 < 7.1093] w=0.0661 to align # Constraint # added constraint: constraint((T0367)L26.CB, (T0367)A103.CB) [> 4.4403 = 7.4005 < 9.6206] w=0.0632 to align # Constraint # added constraint: constraint((T0367)Y92.CB, (T0367)I106.CB) [> 3.2135 = 5.3559 < 6.9626] w=0.0630 to align # Constraint # added constraint: constraint((T0367)R57.CB, (T0367)I106.CB) [> 2.9501 = 4.9168 < 6.3919] w=0.0619 to align # Constraint # added constraint: constraint((T0367)S32.CB, (T0367)L80.CB) [> 2.5312 = 4.2187 < 5.4843] w=0.0593 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)Y27.CB) [> 3.0884 = 5.1473 < 6.6915] w=0.0568 to align # Constraint # added constraint: constraint((T0367)R29.CB, (T0367)Y92.CB) [> 4.4447 = 7.4079 < 9.6303] w=0.0561 to align # Constraint # added constraint: constraint((T0367)L4.CB, (T0367)A41.CB) [> 3.5522 = 5.9204 < 7.6965] w=0.0546 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)F113.CB) [> 4.4763 = 7.4606 < 9.6988] w=0.0546 to align # Constraint # added constraint: constraint((T0367)C30.CB, (T0367)L46.CB) [> 2.8719 = 4.7864 < 6.2224] w=0.0510 to align # Constraint # added constraint: constraint((T0367)Y27.CB, (T0367)L46.CB) [> 3.2419 = 5.4032 < 7.0241] w=0.0510 to align # Constraint # added constraint: constraint((T0367)R29.CB, (T0367)L80.CB) [> 4.1710 = 6.9517 < 9.0371] w=0.0510 to align # Constraint # added constraint: constraint((T0367)R82.CB, (T0367)D91.CB) [> 3.6760 = 6.1266 < 7.9646] w=0.0510 to align # Constraint # added constraint: constraint((T0367)L26.CB, (T0367)Y92.CB) [> 4.4149 = 7.3581 < 9.5655] w=0.0510 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)V121.CB) [> 4.3201 = 7.2002 < 9.3603] w=0.0499 to align # Constraint # added constraint: constraint((T0367)R51.CB, (T0367)R87.CB) [> 3.9094 = 6.5156 < 8.4703] w=0.0486 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)A103.CB) [> 3.3142 = 5.5237 < 7.1808] w=0.0479 to align # Constraint # added constraint: constraint((T0367)M38.CB, (T0367)I106.CB) [> 3.0611 = 5.1019 < 6.6324] w=0.0479 to align # Constraint # added constraint: constraint((T0367)A41.CB, (T0367)A103.CB) [> 4.1950 = 6.9917 < 9.0893] w=0.0479 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)R29.CB) [> 3.7498 = 6.2497 < 8.1247] w=0.0447 to align # Constraint # added constraint: constraint((T0367)H56.CB, (T0367)I106.CB) [> 3.3519 = 5.5864 < 7.2624] w=0.0430 to align # Constraint # added constraint: constraint((T0367)E88.CB, (T0367)F113.CB) [> 3.5259 = 5.8765 < 7.6395] w=0.0428 to align # Constraint # added constraint: constraint((T0367)E3.CB, (T0367)R51.CB) [> 4.3975 = 7.3291 < 9.5279] w=0.0320 to align # Constraint # added constraint: constraint((T0367)R7.CB, (T0367)R29.CB) [> 3.0853 = 5.1422 < 6.6848] w=0.0265 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)A110.CB) [> 3.6255 = 6.0424 < 7.8552] w=0.0249 to align # Constraint # added constraint: constraint((T0367)I8.CB, (T0367)I106.CB) [> 4.3040 = 7.1733 < 9.3253] w=0.0249 to align # Constraint # added constraint: constraint((T0367)A11.CB, (T0367)C30.CB) [> 3.9412 = 6.5687 < 8.5393] w=0.0182 to align # Constraint # added constraint: constraint((T0367)R29.CB, (T0367)Y95.CB) [> 3.6030 = 6.0050 < 7.8065] w=0.0102 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0367/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0367/decoys/ # ReadConformPDB reading from PDB file tr367.gromacs0.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr367.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr367.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr367.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 Skipped atom 25, because occupancy 1 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 27, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 81, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 179, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 181, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 207, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 351, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 420, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 453, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # 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 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0367)M24.N and (T0367)G25.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)G25.CA only 0.000 apart, marking (T0367)G25.CA as missing WARNING: atoms too close: (T0367)M24.O and (T0367)G25.O only 0.000 apart, marking (T0367)G25.O as missing WARNING: atoms too close: (T0367)M24.C and (T0367)G25.C only 0.000 apart, marking (T0367)G25.C as missing WARNING: atoms too close: (T0367)G25.N and (T0367)L26.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)L26.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)L26.CA only 0.000 apart, marking (T0367)L26.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)L26.CA only 0.000 apart, marking (T0367)L26.CA as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)L26.CB only 0.000 apart, marking (T0367)L26.CB as missing WARNING: atoms too close: (T0367)G25.O and (T0367)L26.O only 0.000 apart, marking (T0367)L26.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)L26.O only 0.000 apart, marking (T0367)L26.O as missing WARNING: atoms too close: (T0367)G25.C and (T0367)L26.C only 0.000 apart, marking (T0367)L26.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)L26.C only 0.000 apart, marking (T0367)L26.C as missing WARNING: atoms too close: (T0367)L26.N and (T0367)Y27.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)Y27.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)Y27.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)Y27.CA only 0.000 apart, marking (T0367)Y27.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)Y27.CA only 0.000 apart, marking (T0367)Y27.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)Y27.CA only 0.000 apart, marking (T0367)Y27.CA as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)Y27.CB only 0.000 apart, marking (T0367)Y27.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)Y27.CB only 0.000 apart, marking (T0367)Y27.CB as missing WARNING: atoms too close: (T0367)L26.O and (T0367)Y27.O only 0.000 apart, marking (T0367)Y27.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)Y27.O only 0.000 apart, marking (T0367)Y27.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)Y27.O only 0.000 apart, marking (T0367)Y27.O as missing WARNING: atoms too close: (T0367)L26.C and (T0367)Y27.C only 0.000 apart, marking (T0367)Y27.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)Y27.C only 0.000 apart, marking (T0367)Y27.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)Y27.C only 0.000 apart, marking (T0367)Y27.C as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)E28.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)E28.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)E28.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)E28.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)E28.CB only 0.000 apart, marking (T0367)E28.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)E28.CB only 0.000 apart, marking (T0367)E28.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)E28.CB only 0.000 apart, marking (T0367)E28.CB as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)E28.N and (T0367)R29.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)R29.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)R29.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)R29.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)R29.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)E28.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)E28.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)R29.N and (T0367)L72.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)L72.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)L72.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)L72.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)L72.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)L72.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)R29.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)R29.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S73.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S73.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S73.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S73.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S73.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S73.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S73.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)S73.N and (T0367)D74.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)D74.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)D74.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)D74.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)D74.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)D74.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)D74.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)D74.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)S73.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)S73.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)D74.N and (T0367)D75.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)D75.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)D75.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)D75.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)D75.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)D75.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)D75.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)D75.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)D75.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)D74.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)D74.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)D75.N and (T0367)D76.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)D76.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)D76.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)D76.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)D76.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)D76.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)D76.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)D76.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)D76.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)D76.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)D75.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)D75.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)D76.N and (T0367)C77.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)C77.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)C77.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)C77.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)C77.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)C77.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)C77.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)C77.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)C77.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)C77.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)C77.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)D76.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)D76.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)C77.N and (T0367)S78.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)S78.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)S78.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)S78.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)S78.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S78.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S78.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S78.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S78.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S78.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S78.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S78.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)C77.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)C77.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)S78.N and (T0367)K79.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)K79.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)K79.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)K79.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)K79.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)K79.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)K79.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)K79.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)K79.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)K79.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)K79.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)K79.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)K79.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)S78.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)S78.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)K79.N and (T0367)L80.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)L80.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)L80.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)L80.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)L80.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)L80.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)L80.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)L80.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)L80.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)L80.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)L80.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)L80.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)L80.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)L80.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)K79.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)K79.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)L80.N and (T0367)S81.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)S81.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)S81.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)S81.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)S81.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)S81.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)S81.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)S81.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S81.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S81.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S81.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S81.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S81.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S81.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S81.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)L80.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)L80.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)S81.N and (T0367)R82.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)R82.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)R82.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)R82.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)R82.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)R82.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)R82.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)R82.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)R82.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)R82.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)R82.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)R82.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)R82.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)R82.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)R82.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)R82.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)S81.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)S81.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)R82.N and (T0367)A83.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)A83.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)A83.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)A83.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)A83.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)A83.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)A83.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)A83.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)A83.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)A83.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)A83.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)A83.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)A83.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)A83.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)A83.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)A83.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)A83.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)R82.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)R82.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)A83.N and (T0367)E97.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.N and (T0367)E97.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)E97.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)E97.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)E97.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)E97.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)E97.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)E97.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)E97.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)E97.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)E97.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)E97.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)E97.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)E97.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)E97.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)E97.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)E97.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)E97.N only 0.000 apart, marking (T0367)E97.N as missing WARNING: atoms too close: (T0367)A83.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)A83.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)A83.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)R82.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)A83.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)R82.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)E97.N and (T0367)V98.N only 0.000 apart, marking (T0367)E97.N as missing WARNING: atoms too close: (T0367)A83.N and (T0367)V98.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.N and (T0367)V98.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)V98.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)V98.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)V98.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)V98.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)V98.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)V98.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)V98.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)V98.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)V98.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)V98.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)V98.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)V98.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)V98.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)V98.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)V98.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)V98.N only 0.000 apart, marking (T0367)V98.N as missing WARNING: atoms too close: (T0367)E97.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)A83.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)E97.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)A83.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)E97.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)A83.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)R82.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)E97.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)A83.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)R82.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)V98.N and (T0367)S99.N only 0.000 apart, marking (T0367)V98.N as missing WARNING: atoms too close: (T0367)E97.N and (T0367)S99.N only 0.000 apart, marking (T0367)E97.N as missing WARNING: atoms too close: (T0367)A83.N and (T0367)S99.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.N and (T0367)S99.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)S99.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)S99.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)S99.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)S99.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)S99.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)S99.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)S99.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)S99.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)S99.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S99.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S99.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S99.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S99.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S99.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S99.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S99.N only 0.000 apart, marking (T0367)S99.N as missing WARNING: atoms too close: (T0367)V98.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)E97.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)A83.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)V98.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)E97.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)A83.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)V98.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)E97.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)A83.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)R82.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)V98.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)E97.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)A83.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)R82.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 254 model score -0.5148 model score -0.5153 model score -0.5245 model score -0.5249 model score 1.3887 model score 2.6395 model score 2.6614 model score 2.7062 model score 2.8214 model score 2.1008 model score 0.2324 model score 2.1825 model score 1.9483 model score 1.2623 model score -0.1869 model score 2.0472 model score 2.6356 model score 2.5486 model score 1.8057 model score -0.5172 model score -0.5230 model score -0.0832 model score -0.4344 model score 2.0388 model score 1.3886 model score 1.9062 model score 1.5937 model score 1.1691 model score 0.3157 model score -0.4341 model score -0.2031 model score -0.2395 model score -0.1791 model score -0.5243 model score -0.5123 model score -0.4889 model score -0.5281 model score -0.4217 model score 0.6896 model score 1.2771 model score -0.4035 model score -0.2963 model score 1.4026 model score 1.5973 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.3800 model score -0.3842 model score -0.2577 model score -0.2408 model score -0.0948 model score -0.4970 model score -0.4889 model score -0.5123 model score -0.5281 model score -0.2868 model score -0.4741 model score -0.4520 model score -0.5442 model score -0.0832 model score 1.2175 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.4261 model score 1.9164 model score 1.8762 model score 1.7032 model score 1.8252 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.3789 model score -0.3376 model score -0.2868 model score -0.3815 model score 1.7952 model score -0.0420 model score -0.0036 model score -0.1410 model score -0.0293 model score 1.0474 model score -0.4129 model score -0.2385 model score -0.4164 model score -0.4676 model score -0.5344 model score -0.4486 model score -0.4509 model score -0.4509 model score -0.3430 model score -0.4843 model score -0.3304 model score 0.4165 model score 1.9558 model score -0.0356 model score -0.4740 model score 0.5000 model score 0.8126 model score 1.0312 model score 1.2771 model score -0.2722 model score -0.4684 model score -0.2007 model score 1.8417 model score 2.1646 model score -0.2835 model score -0.4240 model score -0.2007 model score 1.8643 model score 2.1257 model score -0.5413 model score -0.4234 model score -0.5416 model score -0.2218 model score 1.2913 model score 1.7555 model score 1.8015 model score 1.4422 model score 1.2913 model score -0.3718 model score -0.3643 model score -0.3856 model score -0.3857 model score -0.3702 model score -0.3942 model score -0.4032 model score -0.4805 model score -0.3687 model score -0.3754 model score -0.5316 model score -0.5316 model score -0.4788 model score -0.4041 model score -0.4307 model score -0.2255 model score -0.3007 model score -0.2929 model score -0.2929 model score -0.2929 model score -0.2733 model score -0.4336 model score -0.1162 model score -0.4769 model score -0.4260 model score -0.5230 model score -0.2198 model score -0.4130 model score -0.5190 model score -0.5279 model score -0.4537 model score -0.4384 model score -0.4683 model score -0.4683 model score -0.4683 model score -0.2586 model score -0.4967 model score -0.5149 model score -0.5149 model score -0.5149 model score -0.3523 model score -0.4336 model score -0.1162 model score -0.3962 model score -0.4769 model score -0.4260 model score -0.2462 model score -0.1825 model score -0.3296 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.5388 model score -0.2495 model score -0.3432 model score 0.3670 model score 0.7769 model score -0.4537 model score -0.5190 model score -0.2531 model score 0.9750 model score 1.9100 model score -0.3770 model score -0.3329 model score -0.2647 model score 0.6851 model score 1.7295 model score -0.4630 model score -0.5218 model score -0.1692 model score 1.9545 model score 1.8150 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.4244 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.5184 model score -0.5004 model score -0.5182 model score -0.5017 model score -0.4663 model score -0.4001 model score -0.3923 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.1335 model score 0.0955 model score 0.1045 model score 0.3539 model score 1.0385 model score -0.5340 model score 1.2469 model score 1.2600 model score 0.5913 model score 1.3674 model score -0.4951 model score -0.4181 model score 0.0240 model score -0.1890 model score -0.2879 model score -0.4167 model score -0.2218 model score 1.9610 model score 1.9467 model score 0.3537 model score 1.8659 model score 1.8750 model score 1.2961 model score -0.4563 weight: 0.9921 eval: -0.5148 min: -0.5442 max: 2.8214 weight: 0.9923 eval: -0.5153 min: -0.5442 max: 2.8214 weight: 0.9947 eval: -0.5245 min: -0.5442 max: 2.8214 weight: 0.9948 eval: -0.5249 min: -0.5442 max: 2.8214 weight: 0.4831 eval: 1.3887 min: -0.5442 max: 2.8214 weight: 0.1487 eval: 2.6395 min: -0.5442 max: 2.8214 weight: 0.1428 eval: 2.6614 min: -0.5442 max: 2.8214 weight: 0.1308 eval: 2.7062 min: -0.5442 max: 2.8214 weight: 0.1000 eval: 2.8214 min: -0.5442 max: 2.8214 weight: 0.2927 eval: 2.1008 min: -0.5442 max: 2.8214 weight: 0.7923 eval: 0.2324 min: -0.5442 max: 2.8214 weight: 0.2709 eval: 2.1825 min: -0.5442 max: 2.8214 weight: 0.3335 eval: 1.9483 min: -0.5442 max: 2.8214 weight: 0.5169 eval: 1.2623 min: -0.5442 max: 2.8214 weight: 0.9045 eval: -0.1869 min: -0.5442 max: 2.8214 weight: 0.3070 eval: 2.0472 min: -0.5442 max: 2.8214 weight: 0.1497 eval: 2.6356 min: -0.5442 max: 2.8214 weight: 0.1730 eval: 2.5486 min: -0.5442 max: 2.8214 weight: 0.3716 eval: 1.8057 min: -0.5442 max: 2.8214 weight: 0.9928 eval: -0.5172 min: -0.5442 max: 2.8214 weight: 0.9943 eval: -0.5230 min: -0.5442 max: 2.8214 weight: 0.8767 eval: -0.0832 min: -0.5442 max: 2.8214 weight: 0.9706 eval: -0.4344 min: -0.5442 max: 2.8214 weight: 0.3093 eval: 2.0388 min: -0.5442 max: 2.8214 weight: 0.4832 eval: 1.3886 min: -0.5442 max: 2.8214 weight: 0.3447 eval: 1.9062 min: -0.5442 max: 2.8214 weight: 0.4283 eval: 1.5937 min: -0.5442 max: 2.8214 weight: 0.5418 eval: 1.1691 min: -0.5442 max: 2.8214 weight: 0.7700 eval: 0.3157 min: -0.5442 max: 2.8214 weight: 0.9706 eval: -0.4341 min: -0.5442 max: 2.8214 weight: 0.9088 eval: -0.2031 min: -0.5442 max: 2.8214 weight: 0.9185 eval: -0.2395 min: -0.5442 max: 2.8214 weight: 0.9024 eval: -0.1791 min: -0.5442 max: 2.8214 weight: 0.9947 eval: -0.5243 min: -0.5442 max: 2.8214 weight: 0.9915 eval: -0.5123 min: -0.5442 max: 2.8214 weight: 0.9852 eval: -0.4889 min: -0.5442 max: 2.8214 weight: 0.9957 eval: -0.5281 min: -0.5442 max: 2.8214 weight: 0.9672 eval: -0.4217 min: -0.5442 max: 2.8214 weight: 0.6701 eval: 0.6896 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.9624 eval: -0.4035 min: -0.5442 max: 2.8214 weight: 0.9337 eval: -0.2963 min: -0.5442 max: 2.8214 weight: 0.4794 eval: 1.4026 min: -0.5442 max: 2.8214 weight: 0.4273 eval: 1.5973 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.9561 eval: -0.3800 min: -0.5442 max: 2.8214 weight: 0.9572 eval: -0.3842 min: -0.5442 max: 2.8214 weight: 0.9234 eval: -0.2577 min: -0.5442 max: 2.8214 weight: 0.9189 eval: -0.2408 min: -0.5442 max: 2.8214 weight: 0.8798 eval: -0.0948 min: -0.5442 max: 2.8214 weight: 0.9874 eval: -0.4970 min: -0.5442 max: 2.8214 weight: 0.9852 eval: -0.4889 min: -0.5442 max: 2.8214 weight: 0.9915 eval: -0.5123 min: -0.5442 max: 2.8214 weight: 0.9957 eval: -0.5281 min: -0.5442 max: 2.8214 weight: 0.9312 eval: -0.2868 min: -0.5442 max: 2.8214 weight: 0.9812 eval: -0.4741 min: -0.5442 max: 2.8214 weight: 0.9754 eval: -0.4520 min: -0.5442 max: 2.8214 weight: 1.0000 eval: -0.5442 min: -0.5442 max: 2.8214 weight: 0.8767 eval: -0.0832 min: -0.5442 max: 2.8214 weight: 0.5289 eval: 1.2175 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.9684 eval: -0.4261 min: -0.5442 max: 2.8214 weight: 0.3420 eval: 1.9164 min: -0.5442 max: 2.8214 weight: 0.3528 eval: 1.8762 min: -0.5442 max: 2.8214 weight: 0.3990 eval: 1.7032 min: -0.5442 max: 2.8214 weight: 0.3664 eval: 1.8252 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.9558 eval: -0.3789 min: -0.5442 max: 2.8214 weight: 0.9447 eval: -0.3376 min: -0.5442 max: 2.8214 weight: 0.9312 eval: -0.2868 min: -0.5442 max: 2.8214 weight: 0.9565 eval: -0.3815 min: -0.5442 max: 2.8214 weight: 0.3744 eval: 1.7952 min: -0.5442 max: 2.8214 weight: 0.8657 eval: -0.0420 min: -0.5442 max: 2.8214 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min: -0.5442 max: 2.8214 weight: 0.7208 eval: 0.5000 min: -0.5442 max: 2.8214 weight: 0.6372 eval: 0.8126 min: -0.5442 max: 2.8214 weight: 0.5787 eval: 1.0312 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.9273 eval: -0.2722 min: -0.5442 max: 2.8214 weight: 0.9797 eval: -0.4684 min: -0.5442 max: 2.8214 weight: 0.9082 eval: -0.2007 min: -0.5442 max: 2.8214 weight: 0.3620 eval: 1.8417 min: -0.5442 max: 2.8214 weight: 0.2756 eval: 2.1646 min: -0.5442 max: 2.8214 weight: 0.9303 eval: -0.2835 min: -0.5442 max: 2.8214 weight: 0.9678 eval: -0.4240 min: -0.5442 max: 2.8214 weight: 0.9082 eval: -0.2007 min: -0.5442 max: 2.8214 weight: 0.3559 eval: 1.8643 min: -0.5442 max: 2.8214 weight: 0.2860 eval: 2.1257 min: -0.5442 max: 2.8214 weight: 0.9992 eval: -0.5413 min: -0.5442 max: 2.8214 weight: 0.9677 eval: -0.4234 min: -0.5442 max: 2.8214 weight: 0.9993 eval: -0.5416 min: -0.5442 max: 2.8214 weight: 0.9138 eval: -0.2218 min: -0.5442 max: 2.8214 weight: 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max: 2.8214 weight: 0.9697 eval: -0.4307 min: -0.5442 max: 2.8214 weight: 0.9148 eval: -0.2255 min: -0.5442 max: 2.8214 weight: 0.9349 eval: -0.3007 min: -0.5442 max: 2.8214 weight: 0.9328 eval: -0.2929 min: -0.5442 max: 2.8214 weight: 0.9328 eval: -0.2929 min: -0.5442 max: 2.8214 weight: 0.9328 eval: -0.2929 min: -0.5442 max: 2.8214 weight: 0.9276 eval: -0.2733 min: -0.5442 max: 2.8214 weight: 0.9704 eval: -0.4336 min: -0.5442 max: 2.8214 weight: 0.8855 eval: -0.1162 min: -0.5442 max: 2.8214 weight: 0.9820 eval: -0.4769 min: -0.5442 max: 2.8214 weight: 0.9684 eval: -0.4260 min: -0.5442 max: 2.8214 weight: 0.9943 eval: -0.5230 min: -0.5442 max: 2.8214 weight: 0.9133 eval: -0.2198 min: -0.5442 max: 2.8214 weight: 0.9649 eval: -0.4130 min: -0.5442 max: 2.8214 weight: 0.9933 eval: -0.5190 min: -0.5442 max: 2.8214 weight: 0.9956 eval: -0.5279 min: -0.5442 max: 2.8214 weight: 0.9758 eval: -0.4537 min: -0.5442 max: 2.8214 weight: 0.9717 eval: -0.4384 min: -0.5442 max: 2.8214 weight: 0.9797 eval: -0.4683 min: -0.5442 max: 2.8214 weight: 0.9797 eval: -0.4683 min: -0.5442 max: 2.8214 weight: 0.9797 eval: -0.4683 min: -0.5442 max: 2.8214 weight: 0.9236 eval: -0.2586 min: -0.5442 max: 2.8214 weight: 0.9873 eval: -0.4967 min: -0.5442 max: 2.8214 weight: 0.9922 eval: -0.5149 min: -0.5442 max: 2.8214 weight: 0.9922 eval: -0.5149 min: -0.5442 max: 2.8214 weight: 0.9922 eval: -0.5149 min: -0.5442 max: 2.8214 weight: 0.9487 eval: -0.3523 min: -0.5442 max: 2.8214 weight: 0.9704 eval: -0.4336 min: -0.5442 max: 2.8214 weight: 0.8855 eval: -0.1162 min: -0.5442 max: 2.8214 weight: 0.9604 eval: -0.3962 min: -0.5442 max: 2.8214 weight: 0.9820 eval: -0.4769 min: -0.5442 max: 2.8214 weight: 0.9684 eval: -0.4260 min: -0.5442 max: 2.8214 weight: 0.9203 eval: -0.2462 min: -0.5442 max: 2.8214 weight: 0.9033 eval: -0.1825 min: -0.5442 max: 2.8214 weight: 0.9426 eval: -0.3296 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.7104 eval: 0.5388 min: -0.5442 max: 2.8214 weight: 0.9212 eval: -0.2495 min: -0.5442 max: 2.8214 weight: 0.9463 eval: -0.3432 min: -0.5442 max: 2.8214 weight: 0.7563 eval: 0.3670 min: -0.5442 max: 2.8214 weight: 0.6467 eval: 0.7769 min: -0.5442 max: 2.8214 weight: 0.9758 eval: -0.4537 min: -0.5442 max: 2.8214 weight: 0.9933 eval: -0.5190 min: -0.5442 max: 2.8214 weight: 0.9222 eval: -0.2531 min: -0.5442 max: 2.8214 weight: 0.5938 eval: 0.9750 min: -0.5442 max: 2.8214 weight: 0.3437 eval: 1.9100 min: -0.5442 max: 2.8214 weight: 0.9553 eval: -0.3770 min: -0.5442 max: 2.8214 weight: 0.9435 eval: -0.3329 min: -0.5442 max: 2.8214 weight: 0.9253 eval: -0.2647 min: -0.5442 max: 2.8214 weight: 0.6713 eval: 0.6851 min: -0.5442 max: 2.8214 weight: 0.3920 eval: 1.7295 min: -0.5442 max: 2.8214 weight: 0.9783 eval: -0.4630 min: -0.5442 max: 2.8214 weight: 0.9940 eval: -0.5218 min: -0.5442 max: 2.8214 weight: 0.8997 eval: -0.1692 min: -0.5442 max: 2.8214 weight: 0.3318 eval: 1.9545 min: -0.5442 max: 2.8214 weight: 0.3691 eval: 1.8150 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.9680 eval: -0.4244 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.9931 eval: -0.5184 min: -0.5442 max: 2.8214 weight: 0.9883 eval: -0.5004 min: -0.5442 max: 2.8214 weight: 0.9930 eval: -0.5182 min: -0.5442 max: 2.8214 weight: 0.9886 eval: -0.5017 min: -0.5442 max: 2.8214 weight: 0.9792 eval: -0.4663 min: -0.5442 max: 2.8214 weight: 0.9615 eval: -0.4001 min: -0.5442 max: 2.8214 weight: 0.9594 eval: -0.3923 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.5130 eval: 1.2771 min: -0.5442 max: 2.8214 weight: 0.8188 eval: 0.1335 min: -0.5442 max: 2.8214 weight: 0.8289 eval: 0.0955 min: -0.5442 max: 2.8214 weight: 0.8265 eval: 0.1045 min: -0.5442 max: 2.8214 weight: 0.7598 eval: 0.3539 min: -0.5442 max: 2.8214 weight: 0.5768 eval: 1.0385 min: -0.5442 max: 2.8214 weight: 0.9973 eval: -0.5340 min: -0.5442 max: 2.8214 weight: 0.5210 eval: 1.2469 min: -0.5442 max: 2.8214 weight: 0.5175 eval: 1.2600 min: -0.5442 max: 2.8214 weight: 0.6964 eval: 0.5913 min: -0.5442 max: 2.8214 weight: 0.4888 eval: 1.3674 min: -0.5442 max: 2.8214 weight: 0.9869 eval: -0.4951 min: -0.5442 max: 2.8214 weight: 0.9663 eval: -0.4181 min: -0.5442 max: 2.8214 weight: 0.8481 eval: 0.0240 min: -0.5442 max: 2.8214 weight: 0.9050 eval: -0.1890 min: -0.5442 max: 2.8214 weight: 0.9315 eval: -0.2879 min: -0.5442 max: 2.8214 weight: 0.9659 eval: -0.4167 min: -0.5442 max: 2.8214 weight: 0.9138 eval: -0.2218 min: -0.5442 max: 2.8214 weight: 0.3301 eval: 1.9610 min: -0.5442 max: 2.8214 weight: 0.3339 eval: 1.9467 min: -0.5442 max: 2.8214 weight: 0.7599 eval: 0.3537 min: -0.5442 max: 2.8214 weight: 0.3555 eval: 1.8659 min: -0.5442 max: 2.8214 weight: 0.3531 eval: 1.8750 min: -0.5442 max: 2.8214 weight: 0.5079 eval: 1.2961 min: -0.5442 max: 2.8214 weight: 0.9765 eval: -0.4563 min: -0.5442 max: 2.8214 Adding 3428 constraints to all2.constraints Done adding distance constraints # command:Reading probabilities from probabilities.dat Reading constraints from ConstraintSet all2.constraints maxweight: 1.0000 Optimizing... Probability sum: -186.4580, CN propb: -186.4580 weights: 0.6008 constraints: 182 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 182 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 182 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 3246 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 3246 # command:Found ConstraintSet # PrintContacts non_contacts.constraints_meta02 Number of constraints in noncontact2.constraints 0 # command:Found ConstraintSet # PrintContacts non_contacts_bonus.constraints_meta02 Number of constraints in noncontact2.constraints.bonus 0 # command:Found ConstraintSet # PrintContacts all.constraints_meta02 Number of constraints in all2.constraints 3428 # command: